USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 491 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 NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD21 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD22 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 2 THR OG1 : rot -56:sc= 0.632 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -172:sc= -1.23 (180deg=-1.34) USER MOD Single : A 21 MET CE :methyl -125:sc= -2.12 (180deg=-2.65!) USER MOD Single : A 23 GLN : amide:sc= -2.03 K(o=-2,f=-7.8!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.868 K(o=0.87,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.2!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.14) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 71:sc= 1.28 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 61 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.24) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 3.879 7.902 16.124 1.00 0.00 N ATOM 2 CA GLY A -3 2.482 8.243 16.396 1.00 0.00 C ATOM 3 C GLY A -3 1.739 7.069 16.964 1.00 0.00 C ATOM 4 O GLY A -3 1.284 7.111 18.104 1.00 0.00 O ATOM 0 H1 GLY A -3 4.369 8.732 15.732 1.00 0.00 H new ATOM 0 H2 GLY A -3 4.344 7.611 17.008 1.00 0.00 H new ATOM 0 H3 GLY A -3 3.919 7.121 15.439 1.00 0.00 H new ATOM 0 HA2 GLY A -3 2.438 9.078 17.095 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.999 8.572 15.476 1.00 0.00 H new ATOM 10 N SER A -2 1.618 6.022 16.191 1.00 0.00 N ATOM 11 CA SER A -2 0.953 4.825 16.642 1.00 0.00 C ATOM 12 C SER A -2 1.999 3.824 17.165 1.00 0.00 C ATOM 13 O SER A -2 3.209 4.099 17.111 1.00 0.00 O ATOM 14 CB SER A -2 0.146 4.239 15.487 1.00 0.00 C ATOM 15 OG SER A -2 -0.719 5.228 14.937 1.00 0.00 O ATOM 0 H SER A -2 1.975 5.973 15.237 1.00 0.00 H new ATOM 0 HA SER A -2 0.268 5.053 17.459 1.00 0.00 H new ATOM 0 HB2 SER A -2 0.820 3.866 14.716 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.439 3.389 15.838 1.00 0.00 H new ATOM 0 HG SER A -2 -1.230 4.840 14.196 1.00 0.00 H new ATOM 21 N ALA A -1 1.548 2.669 17.642 1.00 0.00 N ATOM 22 CA ALA A -1 2.439 1.642 18.201 1.00 0.00 C ATOM 23 C ALA A -1 3.132 0.827 17.107 1.00 0.00 C ATOM 24 O ALA A -1 3.878 -0.112 17.383 1.00 0.00 O ATOM 25 CB ALA A -1 1.671 0.726 19.131 1.00 0.00 C ATOM 0 H ALA A -1 0.561 2.413 17.655 1.00 0.00 H new ATOM 0 HA ALA A -1 3.215 2.158 18.767 1.00 0.00 H new ATOM 0 HB1 ALA A -1 2.345 -0.029 19.537 1.00 0.00 H new ATOM 0 HB2 ALA A -1 1.246 1.310 19.948 1.00 0.00 H new ATOM 0 HB3 ALA A -1 0.868 0.237 18.579 1.00 0.00 H new ATOM 31 N SER A 0 2.852 1.159 15.888 1.00 0.00 N ATOM 32 CA SER A 0 3.476 0.565 14.758 1.00 0.00 C ATOM 33 C SER A 0 3.719 1.662 13.748 1.00 0.00 C ATOM 34 O SER A 0 2.833 2.502 13.521 1.00 0.00 O ATOM 35 CB SER A 0 2.574 -0.534 14.171 1.00 0.00 C ATOM 36 OG SER A 0 2.301 -1.541 15.151 1.00 0.00 O ATOM 0 H SER A 0 2.163 1.872 15.648 1.00 0.00 H new ATOM 0 HA SER A 0 4.420 0.096 15.036 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.639 -0.096 13.822 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.058 -0.984 13.304 1.00 0.00 H new ATOM 0 HG SER A 0 1.725 -2.230 14.760 1.00 0.00 H new ATOM 42 N ASN A 1 4.903 1.714 13.188 1.00 0.00 N ATOM 43 CA ASN A 1 5.205 2.694 12.176 1.00 0.00 C ATOM 44 C ASN A 1 4.850 2.098 10.836 1.00 0.00 C ATOM 45 O ASN A 1 5.693 1.653 10.066 1.00 0.00 O ATOM 46 CB ASN A 1 6.666 3.180 12.232 1.00 0.00 C ATOM 47 CG ASN A 1 6.918 4.382 11.327 1.00 0.00 C ATOM 48 OD1 ASN A 1 6.714 5.524 11.740 1.00 0.00 O ATOM 49 ND2 ASN A 1 7.379 4.152 10.125 1.00 0.00 N ATOM 0 H ASN A 1 5.674 1.087 13.417 1.00 0.00 H new ATOM 0 HA ASN A 1 4.611 3.591 12.352 1.00 0.00 H new ATOM 0 HB2 ASN A 1 6.919 3.444 13.259 1.00 0.00 H new ATOM 0 HB3 ASN A 1 7.328 2.365 11.940 1.00 0.00 H new ATOM 0 HD21 ASN A 1 7.581 4.931 9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 1 7.537 3.193 9.814 1.00 0.00 H new ATOM 56 N THR A 2 3.590 1.986 10.654 1.00 0.00 N ATOM 57 CA THR A 2 3.005 1.421 9.503 1.00 0.00 C ATOM 58 C THR A 2 2.877 2.461 8.414 1.00 0.00 C ATOM 59 O THR A 2 2.255 3.514 8.596 1.00 0.00 O ATOM 60 CB THR A 2 1.637 0.826 9.863 1.00 0.00 C ATOM 61 OG1 THR A 2 1.832 -0.227 10.825 1.00 0.00 O ATOM 62 CG2 THR A 2 0.933 0.277 8.638 1.00 0.00 C ATOM 0 H THR A 2 2.904 2.303 11.340 1.00 0.00 H new ATOM 0 HA THR A 2 3.644 0.622 9.126 1.00 0.00 H new ATOM 0 HB THR A 2 1.010 1.613 10.281 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.458 -0.889 10.463 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.033 -0.137 8.928 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.782 1.079 7.915 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.543 -0.506 8.188 1.00 0.00 H new ATOM 70 N ILE A 3 3.477 2.165 7.321 1.00 0.00 N ATOM 71 CA ILE A 3 3.473 3.007 6.183 1.00 0.00 C ATOM 72 C ILE A 3 2.723 2.305 5.046 1.00 0.00 C ATOM 73 O ILE A 3 3.188 1.304 4.493 1.00 0.00 O ATOM 74 CB ILE A 3 4.937 3.439 5.815 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.042 4.110 4.423 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.944 2.303 6.008 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.459 4.534 4.030 1.00 0.00 C ATOM 0 H ILE A 3 4.002 1.301 7.189 1.00 0.00 H new ATOM 0 HA ILE A 3 2.941 3.936 6.389 1.00 0.00 H new ATOM 0 HB ILE A 3 5.211 4.215 6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.661 3.419 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.396 4.988 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.941 2.652 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.938 1.985 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.670 1.462 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.440 4.994 3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.839 5.251 4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.108 3.659 4.010 1.00 0.00 H new ATOM 89 N LEU A 4 1.512 2.791 4.786 1.00 0.00 N ATOM 90 CA LEU A 4 0.614 2.237 3.792 1.00 0.00 C ATOM 91 C LEU A 4 1.227 2.282 2.409 1.00 0.00 C ATOM 92 O LEU A 4 1.474 3.362 1.855 1.00 0.00 O ATOM 93 CB LEU A 4 -0.723 2.984 3.797 1.00 0.00 C ATOM 94 CG LEU A 4 -1.498 3.012 5.122 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.856 3.670 4.942 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.637 1.619 5.706 1.00 0.00 C ATOM 0 H LEU A 4 1.125 3.599 5.274 1.00 0.00 H new ATOM 0 HA LEU A 4 0.438 1.193 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.538 4.013 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.365 2.536 3.038 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.927 3.611 5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.386 3.678 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.721 4.694 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.437 3.111 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.190 1.671 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.174 0.982 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.647 1.202 5.891 1.00 0.00 H new ATOM 108 N GLY A 5 1.460 1.121 1.863 1.00 0.00 N ATOM 109 CA GLY A 5 2.090 1.021 0.585 1.00 0.00 C ATOM 110 C GLY A 5 3.440 0.374 0.709 1.00 0.00 C ATOM 111 O GLY A 5 4.025 -0.048 -0.269 1.00 0.00 O ATOM 0 H GLY A 5 1.219 0.227 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.463 0.439 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.196 2.014 0.147 1.00 0.00 H new ATOM 115 N ASP A 6 3.940 0.304 1.913 1.00 0.00 N ATOM 116 CA ASP A 6 5.197 -0.317 2.164 1.00 0.00 C ATOM 117 C ASP A 6 4.997 -1.500 3.097 1.00 0.00 C ATOM 118 O ASP A 6 5.093 -1.404 4.317 1.00 0.00 O ATOM 119 CB ASP A 6 6.207 0.699 2.680 1.00 0.00 C ATOM 120 CG ASP A 6 7.532 0.100 2.987 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.011 -0.733 2.204 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.147 0.475 3.968 1.00 0.00 O ATOM 0 H ASP A 6 3.481 0.679 2.743 1.00 0.00 H new ATOM 0 HA ASP A 6 5.616 -0.705 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.334 1.486 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.811 1.171 3.579 1.00 0.00 H new ATOM 127 N LEU A 7 4.656 -2.599 2.478 1.00 0.00 N ATOM 128 CA LEU A 7 4.268 -3.833 3.110 1.00 0.00 C ATOM 129 C LEU A 7 5.462 -4.596 3.616 1.00 0.00 C ATOM 130 O LEU A 7 5.408 -5.227 4.673 1.00 0.00 O ATOM 131 CB LEU A 7 3.490 -4.712 2.113 1.00 0.00 C ATOM 132 CG LEU A 7 2.066 -4.275 1.686 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.031 -2.953 0.946 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.461 -5.334 0.825 1.00 0.00 C ATOM 0 H LEU A 7 4.641 -2.661 1.460 1.00 0.00 H new ATOM 0 HA LEU A 7 3.635 -3.583 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.093 -4.799 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.414 -5.711 2.543 1.00 0.00 H new ATOM 0 HG LEU A 7 1.495 -4.137 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.002 -2.712 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.433 -2.167 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.633 -3.027 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.459 -5.029 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.079 -5.479 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.403 -6.268 1.384 1.00 0.00 H new ATOM 146 N ASN A 8 6.545 -4.548 2.862 1.00 0.00 N ATOM 147 CA ASN A 8 7.756 -5.273 3.248 1.00 0.00 C ATOM 148 C ASN A 8 8.604 -4.449 4.195 1.00 0.00 C ATOM 149 O ASN A 8 9.633 -4.931 4.698 1.00 0.00 O ATOM 150 CB ASN A 8 8.577 -5.754 2.030 1.00 0.00 C ATOM 151 CG ASN A 8 9.252 -4.656 1.240 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.793 -3.528 1.179 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.315 -4.988 0.597 1.00 0.00 N ATOM 0 H ASN A 8 6.618 -4.024 1.990 1.00 0.00 H new ATOM 0 HA ASN A 8 7.431 -6.171 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.339 -6.452 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.917 -6.308 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.796 -4.300 0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.677 -5.939 0.666 1.00 0.00 H new ATOM 160 N ASP A 9 8.148 -3.213 4.435 1.00 0.00 N ATOM 161 CA ASP A 9 8.759 -2.278 5.378 1.00 0.00 C ATOM 162 C ASP A 9 10.207 -1.967 5.014 1.00 0.00 C ATOM 163 O ASP A 9 11.156 -2.364 5.697 1.00 0.00 O ATOM 164 CB ASP A 9 8.577 -2.750 6.841 1.00 0.00 C ATOM 165 CG ASP A 9 9.209 -1.851 7.889 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.179 -0.619 7.744 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.731 -2.382 8.903 1.00 0.00 O ATOM 0 H ASP A 9 7.326 -2.831 3.967 1.00 0.00 H new ATOM 0 HA ASP A 9 8.229 -1.329 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.510 -2.832 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.999 -3.750 6.939 1.00 0.00 H new ATOM 172 N ASP A 10 10.376 -1.369 3.865 1.00 0.00 N ATOM 173 CA ASP A 10 11.692 -1.000 3.392 1.00 0.00 C ATOM 174 C ASP A 10 11.792 0.498 3.117 1.00 0.00 C ATOM 175 O ASP A 10 12.819 0.993 2.658 1.00 0.00 O ATOM 176 CB ASP A 10 12.190 -1.878 2.207 1.00 0.00 C ATOM 177 CG ASP A 10 11.412 -1.783 0.907 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.470 -0.988 0.787 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.720 -2.570 -0.027 1.00 0.00 O ATOM 0 H ASP A 10 9.615 -1.124 3.232 1.00 0.00 H new ATOM 0 HA ASP A 10 12.386 -1.215 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.227 -1.614 2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.184 -2.919 2.530 1.00 0.00 H new ATOM 184 N GLY A 11 10.724 1.215 3.436 1.00 0.00 N ATOM 185 CA GLY A 11 10.722 2.671 3.371 1.00 0.00 C ATOM 186 C GLY A 11 10.379 3.242 2.028 1.00 0.00 C ATOM 187 O GLY A 11 10.530 4.448 1.809 1.00 0.00 O ATOM 0 H GLY A 11 9.841 0.809 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.011 3.052 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.707 3.035 3.664 1.00 0.00 H new ATOM 191 N VAL A 12 9.913 2.422 1.139 1.00 0.00 N ATOM 192 CA VAL A 12 9.608 2.871 -0.196 1.00 0.00 C ATOM 193 C VAL A 12 8.544 1.979 -0.825 1.00 0.00 C ATOM 194 O VAL A 12 8.496 0.775 -0.549 1.00 0.00 O ATOM 195 CB VAL A 12 10.925 2.920 -1.065 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.662 1.588 -1.042 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.666 3.373 -2.500 1.00 0.00 C ATOM 0 H VAL A 12 9.733 1.432 1.308 1.00 0.00 H new ATOM 0 HA VAL A 12 9.202 3.882 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 12 11.566 3.671 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.563 1.660 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.936 1.342 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.015 0.807 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.606 3.388 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.974 2.681 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.233 4.373 -2.493 1.00 0.00 H new ATOM 207 N VAL A 13 7.655 2.575 -1.589 1.00 0.00 N ATOM 208 CA VAL A 13 6.662 1.844 -2.324 1.00 0.00 C ATOM 209 C VAL A 13 7.311 1.251 -3.586 1.00 0.00 C ATOM 210 O VAL A 13 7.496 1.919 -4.597 1.00 0.00 O ATOM 211 CB VAL A 13 5.422 2.739 -2.657 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.637 3.030 -1.383 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.836 4.071 -3.306 1.00 0.00 C ATOM 0 H VAL A 13 7.606 3.586 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 13 6.284 1.026 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 13 4.803 2.190 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.775 3.653 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.296 2.093 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.277 3.552 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.946 4.663 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.482 4.623 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.373 3.872 -4.234 1.00 0.00 H new ATOM 223 N ASN A 14 7.696 0.017 -3.483 1.00 0.00 N ATOM 224 CA ASN A 14 8.452 -0.636 -4.518 1.00 0.00 C ATOM 225 C ASN A 14 7.793 -1.910 -4.980 1.00 0.00 C ATOM 226 O ASN A 14 6.810 -2.358 -4.389 1.00 0.00 O ATOM 227 CB ASN A 14 9.937 -0.855 -4.103 1.00 0.00 C ATOM 228 CG ASN A 14 10.184 -1.746 -2.903 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.335 -1.950 -2.031 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.370 -2.230 -2.804 1.00 0.00 N ATOM 0 H ASN A 14 7.496 -0.573 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 14 8.464 0.036 -5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.470 -1.277 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.381 0.120 -3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.624 -2.795 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.057 -2.050 -3.536 1.00 0.00 H new ATOM 237 N GLY A 15 8.369 -2.517 -6.010 1.00 0.00 N ATOM 238 CA GLY A 15 7.829 -3.741 -6.618 1.00 0.00 C ATOM 239 C GLY A 15 7.758 -4.913 -5.648 1.00 0.00 C ATOM 240 O GLY A 15 6.937 -5.819 -5.806 1.00 0.00 O ATOM 0 H GLY A 15 9.224 -2.180 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.830 -3.537 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.449 -4.020 -7.470 1.00 0.00 H new ATOM 244 N ARG A 16 8.599 -4.870 -4.623 1.00 0.00 N ATOM 245 CA ARG A 16 8.641 -5.910 -3.597 1.00 0.00 C ATOM 246 C ARG A 16 7.324 -5.946 -2.823 1.00 0.00 C ATOM 247 O ARG A 16 6.888 -6.997 -2.377 1.00 0.00 O ATOM 248 CB ARG A 16 9.766 -5.647 -2.611 1.00 0.00 C ATOM 249 CG ARG A 16 11.147 -5.540 -3.218 1.00 0.00 C ATOM 250 CD ARG A 16 11.618 -6.837 -3.829 1.00 0.00 C ATOM 251 NE ARG A 16 12.982 -6.715 -4.357 1.00 0.00 N ATOM 252 CZ ARG A 16 13.648 -7.673 -5.011 1.00 0.00 C ATOM 253 NH1 ARG A 16 13.081 -8.861 -5.227 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.885 -7.443 -5.440 1.00 0.00 N ATOM 0 H ARG A 16 9.271 -4.116 -4.477 1.00 0.00 H new ATOM 0 HA ARG A 16 8.807 -6.863 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.550 -4.722 -2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.773 -6.448 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.144 -4.763 -3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.854 -5.228 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.586 -7.627 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.941 -7.131 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 16 13.462 -5.826 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.135 -9.043 -4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.594 -9.588 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.324 -6.538 -5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.395 -8.172 -5.939 1.00 0.00 H new ATOM 268 N ASP A 17 6.688 -4.783 -2.692 1.00 0.00 N ATOM 269 CA ASP A 17 5.429 -4.658 -1.973 1.00 0.00 C ATOM 270 C ASP A 17 4.337 -5.359 -2.715 1.00 0.00 C ATOM 271 O ASP A 17 3.474 -5.969 -2.106 1.00 0.00 O ATOM 272 CB ASP A 17 5.044 -3.205 -1.766 1.00 0.00 C ATOM 273 CG ASP A 17 6.040 -2.451 -0.945 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.673 -1.519 -1.438 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.303 -2.807 0.212 1.00 0.00 O ATOM 0 H ASP A 17 7.033 -3.905 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 17 5.565 -5.119 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.939 -2.720 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.070 -3.158 -1.280 1.00 0.00 H new ATOM 280 N ILE A 18 4.389 -5.261 -4.049 1.00 0.00 N ATOM 281 CA ILE A 18 3.470 -5.958 -4.965 1.00 0.00 C ATOM 282 C ILE A 18 3.439 -7.443 -4.646 1.00 0.00 C ATOM 283 O ILE A 18 2.367 -8.050 -4.566 1.00 0.00 O ATOM 284 CB ILE A 18 3.895 -5.751 -6.474 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.540 -4.359 -7.002 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.288 -6.805 -7.401 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.118 -3.193 -6.273 1.00 0.00 C ATOM 0 H ILE A 18 5.080 -4.687 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 18 2.476 -5.533 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 18 4.980 -5.859 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.858 -4.300 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.455 -4.260 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.611 -6.618 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.620 -7.796 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.201 -6.753 -7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.790 -2.268 -6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.781 -3.209 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.206 -3.249 -6.302 1.00 0.00 H new ATOM 299 N VAL A 19 4.620 -7.997 -4.445 1.00 0.00 N ATOM 300 CA VAL A 19 4.781 -9.410 -4.108 1.00 0.00 C ATOM 301 C VAL A 19 4.035 -9.717 -2.813 1.00 0.00 C ATOM 302 O VAL A 19 3.166 -10.567 -2.788 1.00 0.00 O ATOM 303 CB VAL A 19 6.278 -9.784 -3.924 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.469 -11.294 -3.796 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.123 -9.214 -5.049 1.00 0.00 C ATOM 0 H VAL A 19 5.499 -7.484 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 19 4.374 -9.997 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 19 6.617 -9.336 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.528 -11.517 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.915 -11.659 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.100 -11.785 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.166 -9.490 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.777 -9.614 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.033 -8.128 -5.057 1.00 0.00 H new ATOM 315 N MET A 20 4.328 -8.929 -1.783 1.00 0.00 N ATOM 316 CA MET A 20 3.772 -9.098 -0.425 1.00 0.00 C ATOM 317 C MET A 20 2.243 -8.986 -0.454 1.00 0.00 C ATOM 318 O MET A 20 1.531 -9.745 0.221 1.00 0.00 O ATOM 319 CB MET A 20 4.318 -8.003 0.488 1.00 0.00 C ATOM 320 CG MET A 20 5.831 -7.819 0.441 1.00 0.00 C ATOM 321 SD MET A 20 6.777 -9.173 1.153 1.00 0.00 S ATOM 322 CE MET A 20 6.403 -8.964 2.887 1.00 0.00 C ATOM 0 H MET A 20 4.968 -8.139 -1.860 1.00 0.00 H new ATOM 0 HA MET A 20 4.058 -10.082 -0.055 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.844 -7.059 0.221 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.026 -8.227 1.514 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.135 -7.688 -0.598 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.088 -6.899 0.966 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.025 -9.637 3.477 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.603 -7.934 3.181 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.352 -9.194 3.063 1.00 0.00 H new ATOM 332 N MET A 21 1.770 -8.013 -1.236 1.00 0.00 N ATOM 333 CA MET A 21 0.349 -7.738 -1.483 1.00 0.00 C ATOM 334 C MET A 21 -0.310 -9.004 -1.976 1.00 0.00 C ATOM 335 O MET A 21 -1.218 -9.531 -1.340 1.00 0.00 O ATOM 336 CB MET A 21 0.258 -6.670 -2.585 1.00 0.00 C ATOM 337 CG MET A 21 -1.126 -6.086 -2.948 1.00 0.00 C ATOM 338 SD MET A 21 -1.731 -4.741 -1.885 1.00 0.00 S ATOM 339 CE MET A 21 -2.134 -5.538 -0.346 1.00 0.00 C ATOM 0 H MET A 21 2.387 -7.371 -1.734 1.00 0.00 H new ATOM 0 HA MET A 21 -0.142 -7.394 -0.573 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.900 -5.839 -2.292 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.684 -7.097 -3.493 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.086 -5.720 -3.974 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.856 -6.895 -2.926 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.168 -5.318 -0.082 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.008 -6.616 -0.450 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.473 -5.169 0.439 1.00 0.00 H new ATOM 349 N ARG A 22 0.236 -9.517 -3.072 1.00 0.00 N ATOM 350 CA ARG A 22 -0.250 -10.702 -3.749 1.00 0.00 C ATOM 351 C ARG A 22 -0.218 -11.937 -2.863 1.00 0.00 C ATOM 352 O ARG A 22 -1.107 -12.767 -2.956 1.00 0.00 O ATOM 353 CB ARG A 22 0.551 -10.947 -5.021 1.00 0.00 C ATOM 354 CG ARG A 22 0.280 -9.969 -6.146 1.00 0.00 C ATOM 355 CD ARG A 22 1.238 -10.213 -7.300 1.00 0.00 C ATOM 356 NE ARG A 22 0.957 -9.363 -8.462 1.00 0.00 N ATOM 357 CZ ARG A 22 1.698 -9.335 -9.579 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.738 -10.147 -9.710 1.00 0.00 N ATOM 359 NH2 ARG A 22 1.387 -8.503 -10.553 1.00 0.00 N ATOM 0 H ARG A 22 1.052 -9.104 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.294 -10.518 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.613 -10.911 -4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.340 -11.955 -5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.749 -10.076 -6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.390 -8.947 -5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.259 -10.034 -6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.180 -11.260 -7.599 1.00 0.00 H new ATOM 0 HE ARG A 22 0.142 -8.751 -8.417 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.976 -10.796 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.300 -10.123 -10.561 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.584 -7.882 -10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.950 -8.480 -11.403 1.00 0.00 H new ATOM 373 N GLN A 23 0.795 -12.046 -1.993 1.00 0.00 N ATOM 374 CA GLN A 23 0.910 -13.176 -1.087 1.00 0.00 C ATOM 375 C GLN A 23 -0.292 -13.253 -0.178 1.00 0.00 C ATOM 376 O GLN A 23 -0.986 -14.272 -0.131 1.00 0.00 O ATOM 377 CB GLN A 23 2.145 -13.062 -0.212 1.00 0.00 C ATOM 378 CG GLN A 23 3.477 -12.906 -0.923 1.00 0.00 C ATOM 379 CD GLN A 23 3.828 -14.039 -1.876 1.00 0.00 C ATOM 380 OE1 GLN A 23 2.978 -14.651 -2.499 1.00 0.00 O ATOM 381 NE2 GLN A 23 5.073 -14.349 -1.966 1.00 0.00 N ATOM 0 H GLN A 23 1.544 -11.359 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 23 0.979 -14.070 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.013 -12.208 0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.198 -13.950 0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.467 -11.970 -1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.265 -12.822 -0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.769 -13.824 -1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.364 -15.120 -2.567 1.00 0.00 H new ATOM 390 N TYR A 24 -0.558 -12.163 0.527 1.00 0.00 N ATOM 391 CA TYR A 24 -1.661 -12.127 1.462 1.00 0.00 C ATOM 392 C TYR A 24 -2.985 -12.237 0.740 1.00 0.00 C ATOM 393 O TYR A 24 -3.882 -12.940 1.190 1.00 0.00 O ATOM 394 CB TYR A 24 -1.618 -10.866 2.296 1.00 0.00 C ATOM 395 CG TYR A 24 -2.696 -10.832 3.371 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.936 -10.259 3.117 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.483 -11.393 4.624 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.925 -10.247 4.058 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.477 -11.380 5.585 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.699 -10.805 5.292 1.00 0.00 C ATOM 401 OH TYR A 24 -5.700 -10.799 6.232 1.00 0.00 O ATOM 0 H TYR A 24 -0.024 -11.296 0.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.562 -12.984 2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.639 -10.781 2.767 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.734 -10.000 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.122 -9.812 2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.529 -11.845 4.850 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.882 -9.800 3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.300 -11.816 6.557 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.382 -11.233 7.051 1.00 0.00 H new ATOM 411 N LEU A 25 -3.084 -11.541 -0.368 1.00 0.00 N ATOM 412 CA LEU A 25 -4.294 -11.577 -1.232 1.00 0.00 C ATOM 413 C LEU A 25 -4.632 -13.015 -1.657 1.00 0.00 C ATOM 414 O LEU A 25 -5.809 -13.413 -1.684 1.00 0.00 O ATOM 415 CB LEU A 25 -4.142 -10.707 -2.500 1.00 0.00 C ATOM 416 CG LEU A 25 -4.083 -9.173 -2.341 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.876 -8.528 -3.697 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.352 -8.616 -1.705 1.00 0.00 C ATOM 0 H LEU A 25 -2.345 -10.929 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.104 -11.169 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.232 -11.022 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.976 -10.939 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.248 -8.942 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.835 -7.445 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.941 -8.883 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.704 -8.792 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.267 -7.533 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.210 -8.860 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.487 -9.056 -0.717 1.00 0.00 H new ATOM 430 N ALA A 26 -3.596 -13.790 -1.974 1.00 0.00 N ATOM 431 CA ALA A 26 -3.749 -15.190 -2.374 1.00 0.00 C ATOM 432 C ALA A 26 -4.109 -16.071 -1.181 1.00 0.00 C ATOM 433 O ALA A 26 -4.744 -17.120 -1.330 1.00 0.00 O ATOM 434 CB ALA A 26 -2.483 -15.699 -3.045 1.00 0.00 C ATOM 0 H ALA A 26 -2.629 -13.467 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.568 -15.242 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.618 -16.741 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.275 -15.100 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.647 -15.621 -2.351 1.00 0.00 H new ATOM 440 N GLY A 27 -3.738 -15.629 -0.006 1.00 0.00 N ATOM 441 CA GLY A 27 -4.041 -16.354 1.179 1.00 0.00 C ATOM 442 C GLY A 27 -2.826 -16.941 1.848 1.00 0.00 C ATOM 443 O GLY A 27 -2.948 -17.822 2.717 1.00 0.00 O ATOM 0 H GLY A 27 -3.222 -14.762 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.549 -15.693 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.737 -17.157 0.937 1.00 0.00 H new ATOM 447 N LYS A 28 -1.659 -16.476 1.474 1.00 0.00 N ATOM 448 CA LYS A 28 -0.438 -16.971 2.066 1.00 0.00 C ATOM 449 C LYS A 28 -0.130 -16.160 3.299 1.00 0.00 C ATOM 450 O LYS A 28 -0.465 -14.971 3.377 1.00 0.00 O ATOM 451 CB LYS A 28 0.755 -16.867 1.105 1.00 0.00 C ATOM 452 CG LYS A 28 0.499 -17.370 -0.301 1.00 0.00 C ATOM 453 CD LYS A 28 1.743 -17.196 -1.144 1.00 0.00 C ATOM 454 CE LYS A 28 1.533 -17.605 -2.596 1.00 0.00 C ATOM 455 NZ LYS A 28 1.292 -19.049 -2.762 1.00 0.00 N ATOM 0 H LYS A 28 -1.528 -15.756 0.763 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.589 -18.023 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.066 -15.824 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.590 -17.426 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.211 -18.421 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.332 -16.823 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.059 -16.153 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.552 -17.789 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.687 -17.052 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.410 -17.320 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.157 -19.265 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.109 -19.581 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.440 -19.322 -2.232 1.00 0.00 H new ATOM 469 N THR A 29 0.487 -16.790 4.244 1.00 0.00 N ATOM 470 CA THR A 29 0.910 -16.132 5.436 1.00 0.00 C ATOM 471 C THR A 29 2.263 -15.522 5.133 1.00 0.00 C ATOM 472 O THR A 29 3.257 -16.243 4.953 1.00 0.00 O ATOM 473 CB THR A 29 1.045 -17.129 6.611 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.169 -17.893 6.743 1.00 0.00 O ATOM 475 CG2 THR A 29 1.308 -16.380 7.913 1.00 0.00 C ATOM 0 H THR A 29 0.714 -17.784 4.210 1.00 0.00 H new ATOM 0 HA THR A 29 0.179 -15.380 5.732 1.00 0.00 H new ATOM 0 HB THR A 29 1.881 -17.797 6.406 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.079 -18.524 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.401 -17.094 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.232 -15.808 7.824 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.480 -15.701 8.116 1.00 0.00 H new ATOM 483 N VAL A 30 2.303 -14.231 5.006 1.00 0.00 N ATOM 484 CA VAL A 30 3.517 -13.567 4.652 1.00 0.00 C ATOM 485 C VAL A 30 4.291 -13.319 5.932 1.00 0.00 C ATOM 486 O VAL A 30 3.839 -12.567 6.803 1.00 0.00 O ATOM 487 CB VAL A 30 3.246 -12.228 3.935 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.411 -11.850 3.046 1.00 0.00 C ATOM 489 CG2 VAL A 30 1.939 -12.246 3.154 1.00 0.00 C ATOM 0 H VAL A 30 1.503 -13.614 5.144 1.00 0.00 H new ATOM 0 HA VAL A 30 4.084 -14.191 3.961 1.00 0.00 H new ATOM 0 HB VAL A 30 3.140 -11.464 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.198 -10.903 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.312 -11.749 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.563 -12.626 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.793 -11.282 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.977 -13.032 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.110 -12.438 3.836 1.00 0.00 H new ATOM 499 N SER A 31 5.390 -13.999 6.081 1.00 0.00 N ATOM 500 CA SER A 31 6.174 -13.911 7.277 1.00 0.00 C ATOM 501 C SER A 31 6.961 -12.605 7.300 1.00 0.00 C ATOM 502 O SER A 31 7.778 -12.353 6.423 1.00 0.00 O ATOM 503 CB SER A 31 7.110 -15.126 7.375 1.00 0.00 C ATOM 504 OG SER A 31 7.812 -15.169 8.613 1.00 0.00 O ATOM 0 H SER A 31 5.768 -14.631 5.375 1.00 0.00 H new ATOM 0 HA SER A 31 5.512 -13.916 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.528 -16.040 7.258 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.827 -15.097 6.554 1.00 0.00 H new ATOM 0 HG SER A 31 8.393 -15.958 8.632 1.00 0.00 H new ATOM 510 N GLY A 32 6.675 -11.771 8.284 1.00 0.00 N ATOM 511 CA GLY A 32 7.401 -10.532 8.434 1.00 0.00 C ATOM 512 C GLY A 32 6.876 -9.421 7.553 1.00 0.00 C ATOM 513 O GLY A 32 7.646 -8.572 7.091 1.00 0.00 O ATOM 0 H GLY A 32 5.950 -11.931 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.352 -10.214 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.452 -10.704 8.202 1.00 0.00 H new ATOM 517 N ILE A 33 5.594 -9.433 7.298 1.00 0.00 N ATOM 518 CA ILE A 33 4.958 -8.392 6.530 1.00 0.00 C ATOM 519 C ILE A 33 4.352 -7.409 7.522 1.00 0.00 C ATOM 520 O ILE A 33 4.023 -7.802 8.660 1.00 0.00 O ATOM 521 CB ILE A 33 3.815 -8.995 5.603 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.263 -7.954 4.597 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.663 -9.579 6.436 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.270 -8.544 3.582 1.00 0.00 C ATOM 0 H ILE A 33 4.959 -10.165 7.617 1.00 0.00 H new ATOM 0 HA ILE A 33 5.685 -7.902 5.883 1.00 0.00 H new ATOM 0 HB ILE A 33 4.279 -9.800 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.772 -7.153 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.097 -7.505 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.900 -9.982 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.044 -10.375 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.227 -8.794 7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.926 -7.758 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.762 -9.326 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.417 -8.968 4.112 1.00 0.00 H new ATOM 536 N ASP A 34 4.249 -6.157 7.164 1.00 0.00 N ATOM 537 CA ASP A 34 3.470 -5.267 8.000 1.00 0.00 C ATOM 538 C ASP A 34 2.088 -5.455 7.507 1.00 0.00 C ATOM 539 O ASP A 34 1.726 -4.902 6.480 1.00 0.00 O ATOM 540 CB ASP A 34 3.838 -3.782 7.882 1.00 0.00 C ATOM 541 CG ASP A 34 3.112 -2.923 8.950 1.00 0.00 C ATOM 542 OD1 ASP A 34 1.897 -3.108 9.185 1.00 0.00 O ATOM 543 OD2 ASP A 34 3.762 -2.048 9.564 1.00 0.00 O ATOM 0 H ASP A 34 4.673 -5.738 6.336 1.00 0.00 H new ATOM 0 HA ASP A 34 3.637 -5.508 9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.916 -3.665 7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.578 -3.421 6.887 1.00 0.00 H new ATOM 548 N LYS A 35 1.327 -6.247 8.213 1.00 0.00 N ATOM 549 CA LYS A 35 0.036 -6.683 7.758 1.00 0.00 C ATOM 550 C LYS A 35 -0.995 -5.529 7.741 1.00 0.00 C ATOM 551 O LYS A 35 -2.066 -5.640 7.143 1.00 0.00 O ATOM 552 CB LYS A 35 -0.439 -7.841 8.623 1.00 0.00 C ATOM 553 CG LYS A 35 -1.541 -8.659 7.988 1.00 0.00 C ATOM 554 CD LYS A 35 -2.119 -9.704 8.942 1.00 0.00 C ATOM 555 CE LYS A 35 -2.762 -9.061 10.163 1.00 0.00 C ATOM 556 NZ LYS A 35 -3.400 -10.045 11.040 1.00 0.00 N ATOM 0 H LYS A 35 1.589 -6.611 9.129 1.00 0.00 H new ATOM 0 HA LYS A 35 0.130 -7.023 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.407 -8.493 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.792 -7.450 9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.338 -7.994 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.153 -9.158 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.860 -10.306 8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.327 -10.381 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.004 -8.515 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.505 -8.332 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.823 -9.559 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.142 -10.549 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.688 -10.726 11.373 1.00 0.00 H new ATOM 570 N ASN A 36 -0.642 -4.425 8.354 1.00 0.00 N ATOM 571 CA ASN A 36 -1.496 -3.269 8.417 1.00 0.00 C ATOM 572 C ASN A 36 -1.251 -2.395 7.201 1.00 0.00 C ATOM 573 O ASN A 36 -2.140 -1.681 6.748 1.00 0.00 O ATOM 574 CB ASN A 36 -1.179 -2.437 9.658 1.00 0.00 C ATOM 575 CG ASN A 36 -1.120 -3.220 10.937 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.136 -3.441 11.594 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.073 -3.615 11.322 1.00 0.00 N ATOM 0 H ASN A 36 0.254 -4.305 8.826 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.531 -3.610 8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.222 -1.937 9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.934 -1.657 9.759 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.183 -4.127 12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.889 -3.410 10.745 1.00 0.00 H new ATOM 584 N ALA A 37 -0.043 -2.511 6.621 1.00 0.00 N ATOM 585 CA ALA A 37 0.387 -1.630 5.530 1.00 0.00 C ATOM 586 C ALA A 37 -0.210 -2.033 4.205 1.00 0.00 C ATOM 587 O ALA A 37 0.015 -1.374 3.187 1.00 0.00 O ATOM 588 CB ALA A 37 1.891 -1.596 5.437 1.00 0.00 C ATOM 0 H ALA A 37 0.650 -3.208 6.893 1.00 0.00 H new ATOM 0 HA ALA A 37 0.022 -0.630 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.190 -0.937 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.305 -1.225 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.267 -2.602 5.247 1.00 0.00 H new ATOM 594 N LEU A 38 -0.970 -3.104 4.238 1.00 0.00 N ATOM 595 CA LEU A 38 -1.645 -3.637 3.079 1.00 0.00 C ATOM 596 C LEU A 38 -2.860 -2.849 2.786 1.00 0.00 C ATOM 597 O LEU A 38 -3.318 -2.828 1.660 1.00 0.00 O ATOM 598 CB LEU A 38 -2.092 -5.090 3.285 1.00 0.00 C ATOM 599 CG LEU A 38 -1.046 -6.193 3.238 1.00 0.00 C ATOM 600 CD1 LEU A 38 -0.027 -6.027 4.288 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.710 -7.512 3.390 1.00 0.00 C ATOM 0 H LEU A 38 -1.139 -3.639 5.090 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.928 -3.588 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.589 -5.148 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.843 -5.315 2.527 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.541 -6.135 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.701 -6.835 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.479 -5.071 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.506 -6.052 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.960 -8.303 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.233 -7.548 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.425 -7.655 2.580 1.00 0.00 H new ATOM 613 N ASP A 39 -3.404 -2.187 3.791 1.00 0.00 N ATOM 614 CA ASP A 39 -4.618 -1.492 3.576 1.00 0.00 C ATOM 615 C ASP A 39 -4.336 -0.067 3.177 1.00 0.00 C ATOM 616 O ASP A 39 -4.456 0.875 3.950 1.00 0.00 O ATOM 617 CB ASP A 39 -5.542 -1.597 4.749 1.00 0.00 C ATOM 618 CG ASP A 39 -6.931 -1.560 4.266 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.496 -0.510 4.001 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.475 -2.597 3.993 1.00 0.00 O ATOM 0 H ASP A 39 -3.021 -2.127 4.735 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.146 -1.967 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.357 -2.523 5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.363 -0.777 5.445 1.00 0.00 H new ATOM 625 N ILE A 40 -3.914 0.039 1.955 1.00 0.00 N ATOM 626 CA ILE A 40 -3.414 1.242 1.346 1.00 0.00 C ATOM 627 C ILE A 40 -4.532 2.232 1.021 1.00 0.00 C ATOM 628 O ILE A 40 -4.320 3.455 1.001 1.00 0.00 O ATOM 629 CB ILE A 40 -2.622 0.858 0.079 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.605 -0.215 0.449 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.899 2.074 -0.484 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.025 -0.949 -0.718 1.00 0.00 C ATOM 0 H ILE A 40 -3.907 -0.756 1.315 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.758 1.749 2.054 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.309 0.483 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.794 0.249 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.081 -0.935 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.345 1.786 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.627 2.844 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.207 2.464 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.312 -1.693 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.824 -1.446 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.516 -0.244 -1.375 1.00 0.00 H new ATOM 644 N ASN A 41 -5.716 1.719 0.772 1.00 0.00 N ATOM 645 CA ASN A 41 -6.852 2.589 0.475 1.00 0.00 C ATOM 646 C ASN A 41 -7.528 3.048 1.784 1.00 0.00 C ATOM 647 O ASN A 41 -8.385 3.939 1.781 1.00 0.00 O ATOM 648 CB ASN A 41 -7.869 1.914 -0.494 1.00 0.00 C ATOM 649 CG ASN A 41 -8.805 0.899 0.138 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.501 0.275 1.137 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.935 0.684 -0.471 1.00 0.00 N ATOM 0 H ASN A 41 -5.925 0.721 0.767 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.474 3.470 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.470 2.694 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.312 1.421 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.583 -0.017 -0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.173 1.217 -1.307 1.00 0.00 H new ATOM 658 N GLY A 42 -7.113 2.431 2.898 1.00 0.00 N ATOM 659 CA GLY A 42 -7.624 2.775 4.217 1.00 0.00 C ATOM 660 C GLY A 42 -9.110 2.470 4.430 1.00 0.00 C ATOM 661 O GLY A 42 -9.859 3.336 4.868 1.00 0.00 O ATOM 0 H GLY A 42 -6.418 1.685 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.046 2.236 4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.457 3.838 4.390 1.00 0.00 H new ATOM 665 N ASP A 43 -9.534 1.260 4.140 1.00 0.00 N ATOM 666 CA ASP A 43 -10.937 0.866 4.365 1.00 0.00 C ATOM 667 C ASP A 43 -11.032 -0.219 5.434 1.00 0.00 C ATOM 668 O ASP A 43 -12.087 -0.419 6.051 1.00 0.00 O ATOM 669 CB ASP A 43 -11.699 0.443 3.056 1.00 0.00 C ATOM 670 CG ASP A 43 -11.135 -0.776 2.323 1.00 0.00 C ATOM 671 OD1 ASP A 43 -11.469 -0.994 1.132 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.299 -1.492 2.870 1.00 0.00 O ATOM 0 H ASP A 43 -8.944 0.525 3.750 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.445 1.761 4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.739 0.240 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.699 1.289 2.369 1.00 0.00 H new ATOM 677 N GLY A 44 -9.921 -0.895 5.683 1.00 0.00 N ATOM 678 CA GLY A 44 -9.871 -1.903 6.712 1.00 0.00 C ATOM 679 C GLY A 44 -9.922 -3.325 6.178 1.00 0.00 C ATOM 680 O GLY A 44 -9.701 -4.278 6.931 1.00 0.00 O ATOM 0 H GLY A 44 -9.044 -0.758 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.956 -1.774 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.705 -1.752 7.397 1.00 0.00 H new ATOM 684 N ALA A 45 -10.217 -3.487 4.905 1.00 0.00 N ATOM 685 CA ALA A 45 -10.241 -4.802 4.301 1.00 0.00 C ATOM 686 C ALA A 45 -9.269 -4.855 3.169 1.00 0.00 C ATOM 687 O ALA A 45 -9.270 -3.992 2.297 1.00 0.00 O ATOM 688 CB ALA A 45 -11.601 -5.166 3.798 1.00 0.00 C ATOM 0 H ALA A 45 -10.444 -2.723 4.268 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.965 -5.520 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.570 -6.161 3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.309 -5.161 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.917 -4.442 3.047 1.00 0.00 H new ATOM 694 N VAL A 46 -8.471 -5.851 3.159 1.00 0.00 N ATOM 695 CA VAL A 46 -7.440 -5.995 2.205 1.00 0.00 C ATOM 696 C VAL A 46 -8.039 -6.583 0.940 1.00 0.00 C ATOM 697 O VAL A 46 -8.466 -7.742 0.906 1.00 0.00 O ATOM 698 CB VAL A 46 -6.345 -6.907 2.757 1.00 0.00 C ATOM 699 CG1 VAL A 46 -5.196 -6.955 1.807 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.873 -6.439 4.129 1.00 0.00 C ATOM 0 H VAL A 46 -8.517 -6.613 3.835 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.992 -5.027 1.982 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.762 -7.908 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.420 -7.607 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.535 -7.342 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.793 -5.951 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.094 -7.109 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.475 -5.427 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.712 -6.446 4.824 1.00 0.00 H new ATOM 710 N ASN A 47 -8.136 -5.763 -0.044 1.00 0.00 N ATOM 711 CA ASN A 47 -8.771 -6.092 -1.279 1.00 0.00 C ATOM 712 C ASN A 47 -7.947 -5.621 -2.442 1.00 0.00 C ATOM 713 O ASN A 47 -6.907 -4.981 -2.254 1.00 0.00 O ATOM 714 CB ASN A 47 -10.219 -5.520 -1.290 1.00 0.00 C ATOM 715 CG ASN A 47 -10.348 -4.096 -0.724 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.508 -3.222 -0.937 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.380 -3.878 0.049 1.00 0.00 N ATOM 0 H ASN A 47 -7.765 -4.813 -0.016 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.847 -7.175 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.590 -5.525 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.863 -6.185 -0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.503 -2.967 0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -12.062 -4.619 0.210 1.00 0.00 H new ATOM 724 N GLY A 48 -8.411 -5.919 -3.646 1.00 0.00 N ATOM 725 CA GLY A 48 -7.717 -5.510 -4.862 1.00 0.00 C ATOM 726 C GLY A 48 -7.650 -4.010 -5.028 1.00 0.00 C ATOM 727 O GLY A 48 -6.877 -3.506 -5.826 1.00 0.00 O ATOM 0 H GLY A 48 -9.269 -6.445 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.705 -5.914 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.222 -5.943 -5.725 1.00 0.00 H new ATOM 731 N ARG A 49 -8.463 -3.296 -4.264 1.00 0.00 N ATOM 732 CA ARG A 49 -8.462 -1.852 -4.274 1.00 0.00 C ATOM 733 C ARG A 49 -7.170 -1.334 -3.690 1.00 0.00 C ATOM 734 O ARG A 49 -6.651 -0.321 -4.142 1.00 0.00 O ATOM 735 CB ARG A 49 -9.634 -1.287 -3.495 1.00 0.00 C ATOM 736 CG ARG A 49 -10.947 -1.866 -3.918 1.00 0.00 C ATOM 737 CD ARG A 49 -12.105 -0.972 -3.565 1.00 0.00 C ATOM 738 NE ARG A 49 -12.373 -0.874 -2.128 1.00 0.00 N ATOM 739 CZ ARG A 49 -13.500 -0.348 -1.624 1.00 0.00 C ATOM 740 NH1 ARG A 49 -14.486 0.018 -2.441 1.00 0.00 N ATOM 741 NH2 ARG A 49 -13.649 -0.226 -0.314 1.00 0.00 N ATOM 0 H ARG A 49 -9.140 -3.707 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.556 -1.527 -5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.484 -1.478 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.661 -0.205 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.937 -2.036 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.083 -2.838 -3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.910 0.027 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.000 -1.341 -4.066 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.668 -1.223 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.384 -0.102 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.343 0.418 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.906 -0.532 0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.507 0.174 0.067 1.00 0.00 H new ATOM 755 N ASP A 50 -6.638 -2.059 -2.706 1.00 0.00 N ATOM 756 CA ASP A 50 -5.380 -1.709 -2.077 1.00 0.00 C ATOM 757 C ASP A 50 -4.265 -2.011 -3.030 1.00 0.00 C ATOM 758 O ASP A 50 -3.320 -1.261 -3.132 1.00 0.00 O ATOM 759 CB ASP A 50 -5.155 -2.503 -0.813 1.00 0.00 C ATOM 760 CG ASP A 50 -6.210 -2.309 0.218 1.00 0.00 C ATOM 761 OD1 ASP A 50 -7.045 -3.195 0.445 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.282 -1.250 0.839 1.00 0.00 O ATOM 0 H ASP A 50 -7.071 -2.902 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.408 -0.650 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.099 -3.562 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.190 -2.225 -0.388 1.00 0.00 H new ATOM 767 N LEU A 51 -4.413 -3.121 -3.746 1.00 0.00 N ATOM 768 CA LEU A 51 -3.475 -3.517 -4.798 1.00 0.00 C ATOM 769 C LEU A 51 -3.399 -2.429 -5.868 1.00 0.00 C ATOM 770 O LEU A 51 -2.318 -2.055 -6.297 1.00 0.00 O ATOM 771 CB LEU A 51 -3.905 -4.864 -5.416 1.00 0.00 C ATOM 772 CG LEU A 51 -3.152 -5.353 -6.678 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.656 -5.519 -6.431 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.738 -6.669 -7.133 1.00 0.00 C ATOM 0 H LEU A 51 -5.186 -3.774 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.484 -3.642 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.806 -5.631 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.964 -4.796 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.274 -4.594 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.172 -5.863 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.228 -4.562 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.497 -6.250 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.209 -7.015 -8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.634 -7.408 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.794 -6.535 -7.368 1.00 0.00 H new ATOM 786 N MET A 52 -4.559 -1.899 -6.256 1.00 0.00 N ATOM 787 CA MET A 52 -4.634 -0.799 -7.239 1.00 0.00 C ATOM 788 C MET A 52 -3.933 0.441 -6.714 1.00 0.00 C ATOM 789 O MET A 52 -3.273 1.156 -7.464 1.00 0.00 O ATOM 790 CB MET A 52 -6.083 -0.451 -7.599 1.00 0.00 C ATOM 791 CG MET A 52 -6.831 -1.548 -8.323 1.00 0.00 C ATOM 792 SD MET A 52 -8.539 -1.093 -8.687 1.00 0.00 S ATOM 793 CE MET A 52 -9.134 -2.608 -9.451 1.00 0.00 C ATOM 0 H MET A 52 -5.466 -2.209 -5.908 1.00 0.00 H new ATOM 0 HA MET A 52 -4.131 -1.147 -8.141 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.622 -0.204 -6.684 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.084 0.444 -8.221 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.314 -1.783 -9.254 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.821 -2.453 -7.715 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.180 -2.487 -9.734 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.541 -2.825 -10.339 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.043 -3.432 -8.744 1.00 0.00 H new ATOM 803 N GLU A 53 -4.071 0.678 -5.418 1.00 0.00 N ATOM 804 CA GLU A 53 -3.413 1.786 -4.751 1.00 0.00 C ATOM 805 C GLU A 53 -1.916 1.575 -4.721 1.00 0.00 C ATOM 806 O GLU A 53 -1.161 2.507 -4.898 1.00 0.00 O ATOM 807 CB GLU A 53 -3.919 1.943 -3.330 1.00 0.00 C ATOM 808 CG GLU A 53 -5.358 2.389 -3.217 1.00 0.00 C ATOM 809 CD GLU A 53 -5.593 3.751 -3.829 1.00 0.00 C ATOM 810 OE1 GLU A 53 -6.225 3.828 -4.905 1.00 0.00 O ATOM 811 OE2 GLU A 53 -5.132 4.770 -3.262 1.00 0.00 O ATOM 0 H GLU A 53 -4.645 0.104 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.643 2.691 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.806 0.991 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.288 2.665 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.001 1.658 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.646 2.412 -2.166 1.00 0.00 H new ATOM 818 N LEU A 54 -1.505 0.346 -4.499 1.00 0.00 N ATOM 819 CA LEU A 54 -0.107 -0.013 -4.457 1.00 0.00 C ATOM 820 C LEU A 54 0.537 0.200 -5.805 1.00 0.00 C ATOM 821 O LEU A 54 1.595 0.805 -5.899 1.00 0.00 O ATOM 822 CB LEU A 54 0.051 -1.457 -4.033 1.00 0.00 C ATOM 823 CG LEU A 54 1.473 -1.922 -3.766 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.138 -1.033 -2.734 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.456 -3.344 -3.287 1.00 0.00 C ATOM 0 H LEU A 54 -2.138 -0.438 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 54 0.389 0.628 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.538 -1.616 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.378 -2.092 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 54 2.044 -1.860 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.155 -1.381 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.165 -0.007 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.573 -1.071 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.477 -3.676 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.875 -3.411 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.005 -3.979 -4.049 1.00 0.00 H new ATOM 837 N ILE A 55 -0.120 -0.287 -6.842 1.00 0.00 N ATOM 838 CA ILE A 55 0.335 -0.101 -8.219 1.00 0.00 C ATOM 839 C ILE A 55 0.434 1.393 -8.511 1.00 0.00 C ATOM 840 O ILE A 55 1.421 1.835 -9.029 1.00 0.00 O ATOM 841 CB ILE A 55 -0.602 -0.830 -9.233 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.639 -2.337 -8.909 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.123 -0.610 -10.672 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.651 -3.134 -9.711 1.00 0.00 C ATOM 0 H ILE A 55 -0.984 -0.823 -6.760 1.00 0.00 H new ATOM 0 HA ILE A 55 1.321 -0.550 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.606 -0.415 -9.143 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.352 -2.756 -9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.857 -2.461 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.791 -1.127 -11.361 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.124 0.457 -10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.888 -1.003 -10.783 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.605 -4.182 -9.416 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.652 -2.747 -9.521 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.424 -3.046 -10.773 1.00 0.00 H new ATOM 856 N LYS A 56 -0.573 2.144 -8.094 1.00 0.00 N ATOM 857 CA LYS A 56 -0.598 3.618 -8.161 1.00 0.00 C ATOM 858 C LYS A 56 0.659 4.242 -7.503 1.00 0.00 C ATOM 859 O LYS A 56 1.314 5.117 -8.095 1.00 0.00 O ATOM 860 CB LYS A 56 -1.884 4.078 -7.460 1.00 0.00 C ATOM 861 CG LYS A 56 -1.908 5.479 -6.864 1.00 0.00 C ATOM 862 CD LYS A 56 -3.226 5.678 -6.139 1.00 0.00 C ATOM 863 CE LYS A 56 -3.269 6.956 -5.345 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.547 7.089 -4.627 1.00 0.00 N ATOM 0 H LYS A 56 -1.421 1.748 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.587 3.950 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.701 4.006 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.100 3.370 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.074 5.610 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.793 6.226 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.038 5.680 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.398 4.835 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.444 6.973 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.132 7.807 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.447 7.792 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.287 7.398 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.812 6.171 -4.216 1.00 0.00 H new ATOM 878 N LYS A 57 0.997 3.755 -6.308 1.00 0.00 N ATOM 879 CA LYS A 57 2.152 4.228 -5.549 1.00 0.00 C ATOM 880 C LYS A 57 3.445 3.915 -6.285 1.00 0.00 C ATOM 881 O LYS A 57 4.238 4.801 -6.567 1.00 0.00 O ATOM 882 CB LYS A 57 2.207 3.567 -4.159 1.00 0.00 C ATOM 883 CG LYS A 57 1.009 3.801 -3.243 1.00 0.00 C ATOM 884 CD LYS A 57 0.767 5.267 -2.916 1.00 0.00 C ATOM 885 CE LYS A 57 1.953 5.892 -2.182 1.00 0.00 C ATOM 886 NZ LYS A 57 1.640 7.239 -1.663 1.00 0.00 N ATOM 0 H LYS A 57 0.473 3.017 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 57 2.045 5.307 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.325 2.492 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.101 3.923 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.116 3.391 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.160 3.251 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.579 5.818 -3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.129 5.359 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.248 5.246 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.805 5.954 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.472 7.624 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.383 7.864 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.844 7.178 -0.997 1.00 0.00 H new ATOM 900 N VAL A 58 3.621 2.661 -6.614 1.00 0.00 N ATOM 901 CA VAL A 58 4.819 2.160 -7.262 1.00 0.00 C ATOM 902 C VAL A 58 4.958 2.683 -8.703 1.00 0.00 C ATOM 903 O VAL A 58 6.053 2.766 -9.233 1.00 0.00 O ATOM 904 CB VAL A 58 4.802 0.622 -7.215 1.00 0.00 C ATOM 905 CG1 VAL A 58 6.031 -0.003 -7.869 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.689 0.178 -5.769 1.00 0.00 C ATOM 0 H VAL A 58 2.923 1.939 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 58 5.693 2.528 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 58 3.941 0.277 -7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.964 -1.089 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.079 0.297 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.930 0.336 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.676 -0.911 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.542 0.555 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.768 0.570 -5.339 1.00 0.00 H new ATOM 916 N SER A 59 3.846 3.037 -9.319 1.00 0.00 N ATOM 917 CA SER A 59 3.873 3.653 -10.651 1.00 0.00 C ATOM 918 C SER A 59 4.345 5.117 -10.566 1.00 0.00 C ATOM 919 O SER A 59 4.977 5.631 -11.484 1.00 0.00 O ATOM 920 CB SER A 59 2.508 3.585 -11.352 1.00 0.00 C ATOM 921 OG SER A 59 2.100 2.236 -11.556 1.00 0.00 O ATOM 0 H SER A 59 2.912 2.913 -8.928 1.00 0.00 H new ATOM 0 HA SER A 59 4.582 3.079 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.762 4.106 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.563 4.100 -12.311 1.00 0.00 H new ATOM 0 HG SER A 59 1.867 1.831 -10.695 1.00 0.00 H new ATOM 927 N ASN A 60 4.026 5.768 -9.451 1.00 0.00 N ATOM 928 CA ASN A 60 4.432 7.134 -9.184 1.00 0.00 C ATOM 929 C ASN A 60 5.915 7.134 -8.802 1.00 0.00 C ATOM 930 O ASN A 60 6.677 8.055 -9.118 1.00 0.00 O ATOM 931 CB ASN A 60 3.575 7.661 -8.032 1.00 0.00 C ATOM 932 CG ASN A 60 3.908 9.054 -7.592 1.00 0.00 C ATOM 933 OD1 ASN A 60 4.310 9.908 -8.381 1.00 0.00 O ATOM 934 ND2 ASN A 60 3.774 9.284 -6.326 1.00 0.00 N ATOM 0 H ASN A 60 3.472 5.352 -8.702 1.00 0.00 H new ATOM 0 HA ASN A 60 4.295 7.772 -10.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.528 7.630 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.683 6.990 -7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.005 10.202 -5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.437 8.547 -5.707 1.00 0.00 H new ATOM 941 N ASN A 61 6.297 6.077 -8.131 1.00 0.00 N ATOM 942 CA ASN A 61 7.668 5.804 -7.747 1.00 0.00 C ATOM 943 C ASN A 61 8.327 5.086 -8.942 1.00 0.00 C ATOM 944 O ASN A 61 7.674 4.875 -9.968 1.00 0.00 O ATOM 945 CB ASN A 61 7.629 4.901 -6.484 1.00 0.00 C ATOM 946 CG ASN A 61 8.969 4.667 -5.804 1.00 0.00 C ATOM 947 OD1 ASN A 61 9.393 5.474 -4.986 1.00 0.00 O ATOM 948 ND2 ASN A 61 9.589 3.540 -6.053 1.00 0.00 N ATOM 0 H ASN A 61 5.644 5.356 -7.825 1.00 0.00 H new ATOM 0 HA ASN A 61 8.237 6.703 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.947 5.348 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.209 3.934 -6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.452 3.313 -5.559 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.209 2.890 -6.741 1.00 0.00 H new ATOM 955 N THR A 62 9.576 4.736 -8.869 1.00 0.00 N ATOM 956 CA THR A 62 10.160 4.023 -9.965 1.00 0.00 C ATOM 957 C THR A 62 10.466 2.579 -9.578 1.00 0.00 C ATOM 958 O THR A 62 11.601 2.239 -9.234 1.00 0.00 O ATOM 959 CB THR A 62 11.379 4.762 -10.576 1.00 0.00 C ATOM 960 OG1 THR A 62 10.963 6.088 -10.937 1.00 0.00 O ATOM 961 CG2 THR A 62 11.879 4.062 -11.838 1.00 0.00 C ATOM 0 H THR A 62 10.198 4.926 -8.083 1.00 0.00 H new ATOM 0 HA THR A 62 9.420 3.987 -10.764 1.00 0.00 H new ATOM 0 HB THR A 62 12.184 4.774 -9.841 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.720 6.574 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.734 4.605 -12.241 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.179 3.043 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.082 4.038 -12.581 1.00 0.00 H new ATOM 969 N SER A 63 9.386 1.786 -9.548 1.00 0.00 N ATOM 970 CA SER A 63 9.390 0.352 -9.245 1.00 0.00 C ATOM 971 C SER A 63 10.204 0.020 -7.973 1.00 0.00 C ATOM 972 O SER A 63 11.142 -0.828 -8.025 1.00 0.00 O ATOM 973 CB SER A 63 9.885 -0.425 -10.466 1.00 0.00 C ATOM 974 OG SER A 63 9.093 -0.110 -11.615 1.00 0.00 O ATOM 975 OXT SER A 63 9.950 0.655 -6.939 1.00 0.00 O ATOM 0 H SER A 63 8.450 2.142 -9.742 1.00 0.00 H new ATOM 0 HA SER A 63 8.368 0.044 -9.025 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.930 -0.183 -10.660 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.838 -1.496 -10.267 1.00 0.00 H new ATOM 0 HG SER A 63 9.423 -0.614 -12.388 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.366 -1.465 0.110 1.00 0.00 CA HETATM 983 CA CA A 102 -8.274 -1.903 1.949 1.00 0.00 CA