USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.539 X(o=-0.63,f=-0.17) USER MOD Set 1.2: A 7 TYR OH : rot 135:sc= -1.17! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.06 (180deg=-0.0236!) USER MOD Single : A 2 MET CE :methyl -154:sc= -4.85! (180deg=-6.82!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 14 CYS SG : rot 40:sc= -3.91 USER MOD Single : A 15 GLN : amide:sc= -3.59 K(o=-3.6,f=-7.2!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.664 K(o=-0.66,f=-3!) USER MOD Single : A 26 LYS NZ :NH3+ 130:sc= 0.0309 (180deg=-0.0114) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc=-0.00508 (180deg=-0.0879) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.11) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.121 (180deg=-0.414) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.194 -10.434 -8.177 1.00 0.00 N ATOM 2 CA MET A 1 4.774 -9.066 -8.192 1.00 0.00 C ATOM 3 C MET A 1 3.682 -8.004 -8.128 1.00 0.00 C ATOM 4 O MET A 1 3.356 -7.382 -9.140 1.00 0.00 O ATOM 5 CB MET A 1 5.593 -8.902 -9.474 1.00 0.00 C ATOM 6 CG MET A 1 4.795 -9.162 -10.742 1.00 0.00 C ATOM 7 SD MET A 1 5.120 -10.789 -11.449 1.00 0.00 S ATOM 8 CE MET A 1 5.227 -10.385 -13.191 1.00 0.00 C ATOM 0 H1 MET A 1 4.707 -11.036 -8.852 1.00 0.00 H new ATOM 0 H2 MET A 1 4.278 -10.836 -7.221 1.00 0.00 H new ATOM 0 H3 MET A 1 3.191 -10.389 -8.447 1.00 0.00 H new ATOM 0 HA MET A 1 5.410 -8.936 -7.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.998 -7.891 -9.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.442 -9.584 -9.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.731 -9.072 -10.522 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.033 -8.396 -11.480 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.425 -11.291 -13.763 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.285 -9.946 -13.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.035 -9.671 -13.350 1.00 0.00 H new ATOM 20 N MET A 2 3.113 -7.789 -6.940 1.00 0.00 N ATOM 21 CA MET A 2 2.060 -6.790 -6.795 1.00 0.00 C ATOM 22 C MET A 2 2.650 -5.389 -6.630 1.00 0.00 C ATOM 23 O MET A 2 3.289 -5.085 -5.624 1.00 0.00 O ATOM 24 CB MET A 2 1.156 -7.131 -5.608 1.00 0.00 C ATOM 25 CG MET A 2 -0.108 -7.878 -6.004 1.00 0.00 C ATOM 26 SD MET A 2 -0.168 -9.553 -5.338 1.00 0.00 S ATOM 27 CE MET A 2 -0.320 -10.511 -6.843 1.00 0.00 C ATOM 0 H MET A 2 3.359 -8.283 -6.082 1.00 0.00 H new ATOM 0 HA MET A 2 1.460 -6.800 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.718 -7.735 -4.895 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.879 -6.210 -5.096 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.978 -7.322 -5.655 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.173 -7.922 -7.091 1.00 0.00 H new ATOM 0 HE1 MET A 2 -0.816 -11.457 -6.624 1.00 0.00 H new ATOM 0 HE2 MET A 2 -0.908 -9.953 -7.572 1.00 0.00 H new ATOM 0 HE3 MET A 2 0.671 -10.707 -7.251 1.00 0.00 H new ATOM 37 N LYS A 3 2.430 -4.536 -7.627 1.00 0.00 N ATOM 38 CA LYS A 3 2.937 -3.167 -7.588 1.00 0.00 C ATOM 39 C LYS A 3 2.193 -2.360 -6.536 1.00 0.00 C ATOM 40 O LYS A 3 1.038 -1.978 -6.726 1.00 0.00 O ATOM 41 CB LYS A 3 2.794 -2.506 -8.958 1.00 0.00 C ATOM 42 CG LYS A 3 4.056 -1.805 -9.434 1.00 0.00 C ATOM 43 CD LYS A 3 3.736 -0.499 -10.145 1.00 0.00 C ATOM 44 CE LYS A 3 3.869 -0.637 -11.652 1.00 0.00 C ATOM 45 NZ LYS A 3 3.996 0.686 -12.322 1.00 0.00 N ATOM 0 H LYS A 3 1.905 -4.768 -8.470 1.00 0.00 H new ATOM 0 HA LYS A 3 3.994 -3.197 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.512 -3.264 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.980 -1.782 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.706 -1.606 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.606 -2.462 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.722 -0.187 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.407 0.283 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.742 -1.247 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.999 -1.162 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.084 0.548 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.152 1.259 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.841 1.176 -11.965 1.00 0.00 H new ATOM 59 N ILE A 4 2.862 -2.122 -5.421 1.00 0.00 N ATOM 60 CA ILE A 4 2.275 -1.377 -4.319 1.00 0.00 C ATOM 61 C ILE A 4 2.902 0.008 -4.187 1.00 0.00 C ATOM 62 O ILE A 4 4.122 0.150 -4.121 1.00 0.00 O ATOM 63 CB ILE A 4 2.423 -2.162 -2.999 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.515 -3.391 -3.028 1.00 0.00 C ATOM 65 CG2 ILE A 4 2.108 -1.291 -1.792 1.00 0.00 C ATOM 66 CD1 ILE A 4 2.274 -4.692 -2.999 1.00 0.00 C ATOM 0 H ILE A 4 3.818 -2.436 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 4 1.215 -1.245 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 4 3.461 -2.483 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.838 -3.354 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.898 -3.358 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.223 -1.877 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.792 -0.443 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.083 -0.928 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.570 -5.524 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.932 -4.749 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.870 -4.745 -2.088 1.00 0.00 H new ATOM 78 N GLN A 5 2.046 1.022 -4.156 1.00 0.00 N ATOM 79 CA GLN A 5 2.492 2.408 -4.038 1.00 0.00 C ATOM 80 C GLN A 5 2.127 2.986 -2.674 1.00 0.00 C ATOM 81 O GLN A 5 0.965 2.953 -2.270 1.00 0.00 O ATOM 82 CB GLN A 5 1.865 3.257 -5.146 1.00 0.00 C ATOM 83 CG GLN A 5 2.624 3.196 -6.462 1.00 0.00 C ATOM 84 CD GLN A 5 1.722 2.895 -7.644 1.00 0.00 C ATOM 85 OE1 GLN A 5 1.220 3.806 -8.303 1.00 0.00 O ATOM 86 NE2 GLN A 5 1.513 1.613 -7.917 1.00 0.00 N ATOM 0 H GLN A 5 1.034 0.911 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 5 3.577 2.425 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.840 2.924 -5.311 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.814 4.294 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.130 4.147 -6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.397 2.430 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.950 0.892 -7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.915 1.349 -8.700 1.00 0.00 H new ATOM 95 N ILE A 6 3.127 3.511 -1.968 1.00 0.00 N ATOM 96 CA ILE A 6 2.909 4.090 -0.648 1.00 0.00 C ATOM 97 C ILE A 6 2.922 5.617 -0.702 1.00 0.00 C ATOM 98 O ILE A 6 3.987 6.233 -0.699 1.00 0.00 O ATOM 99 CB ILE A 6 3.990 3.612 0.343 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.043 2.082 0.376 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.727 4.173 1.733 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.237 1.504 -0.350 1.00 0.00 C ATOM 0 H ILE A 6 4.094 3.546 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 6 1.929 3.756 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 6 4.958 3.982 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.063 1.749 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.130 1.685 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.500 3.825 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.740 5.262 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.752 3.834 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.210 0.416 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.208 1.807 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.155 1.872 0.109 1.00 0.00 H new ATOM 114 N TYR A 7 1.737 6.227 -0.747 1.00 0.00 N ATOM 115 CA TYR A 7 1.635 7.681 -0.798 1.00 0.00 C ATOM 116 C TYR A 7 1.481 8.271 0.596 1.00 0.00 C ATOM 117 O TYR A 7 0.495 8.013 1.287 1.00 0.00 O ATOM 118 CB TYR A 7 0.455 8.110 -1.671 1.00 0.00 C ATOM 119 CG TYR A 7 0.540 7.621 -3.105 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.286 8.298 -4.071 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.126 6.465 -3.491 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.354 7.828 -5.371 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.059 5.992 -4.784 1.00 0.00 C ATOM 124 CZ TYR A 7 0.682 6.676 -5.721 1.00 0.00 C ATOM 125 OH TYR A 7 0.752 6.209 -7.013 1.00 0.00 O ATOM 0 H TYR A 7 0.842 5.739 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 7 2.559 8.059 -1.236 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.468 7.739 -1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.393 9.198 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.816 9.199 -3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.710 5.924 -2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.932 8.363 -6.110 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.585 5.090 -5.060 1.00 0.00 H new ATOM 0 HH TYR A 7 0.903 5.241 -7.003 1.00 0.00 H new ATOM 135 N GLY A 8 2.461 9.071 1.002 1.00 0.00 N ATOM 136 CA GLY A 8 2.411 9.694 2.313 1.00 0.00 C ATOM 137 C GLY A 8 3.561 9.280 3.213 1.00 0.00 C ATOM 138 O GLY A 8 3.669 9.756 4.342 1.00 0.00 O ATOM 0 H GLY A 8 3.287 9.299 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.422 10.777 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.468 9.436 2.796 1.00 0.00 H new ATOM 142 N THR A 9 4.422 8.391 2.715 1.00 0.00 N ATOM 143 CA THR A 9 5.573 7.912 3.481 1.00 0.00 C ATOM 144 C THR A 9 6.232 9.040 4.274 1.00 0.00 C ATOM 145 O THR A 9 6.692 10.029 3.702 1.00 0.00 O ATOM 146 CB THR A 9 6.626 7.269 2.561 1.00 0.00 C ATOM 147 OG1 THR A 9 7.751 6.832 3.334 1.00 0.00 O ATOM 148 CG2 THR A 9 7.089 8.254 1.496 1.00 0.00 C ATOM 0 H THR A 9 4.343 7.987 1.782 1.00 0.00 H new ATOM 0 HA THR A 9 5.193 7.164 4.177 1.00 0.00 H new ATOM 0 HB THR A 9 6.169 6.412 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.416 6.423 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.833 7.777 0.858 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.237 8.563 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.529 9.128 1.976 1.00 0.00 H new ATOM 156 N GLY A 10 6.271 8.884 5.593 1.00 0.00 N ATOM 157 CA GLY A 10 6.870 9.896 6.442 1.00 0.00 C ATOM 158 C GLY A 10 5.843 10.614 7.295 1.00 0.00 C ATOM 159 O GLY A 10 5.970 10.668 8.519 1.00 0.00 O ATOM 0 H GLY A 10 5.898 8.074 6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.614 9.431 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.396 10.622 5.822 1.00 0.00 H new ATOM 163 N CYS A 11 4.821 11.164 6.649 1.00 0.00 N ATOM 164 CA CYS A 11 3.764 11.878 7.354 1.00 0.00 C ATOM 165 C CYS A 11 2.518 11.008 7.483 1.00 0.00 C ATOM 166 O CYS A 11 1.784 11.096 8.468 1.00 0.00 O ATOM 167 CB CYS A 11 3.419 13.176 6.622 1.00 0.00 C ATOM 168 SG CYS A 11 4.787 14.357 6.532 1.00 0.00 S ATOM 0 H CYS A 11 4.702 11.129 5.637 1.00 0.00 H new ATOM 0 HA CYS A 11 4.125 12.119 8.354 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.094 12.935 5.610 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.575 13.650 7.123 1.00 0.00 H new ATOM 0 HG CYS A 11 4.400 15.421 5.894 1.00 0.00 H new ATOM 174 N ALA A 12 2.288 10.167 6.480 1.00 0.00 N ATOM 175 CA ALA A 12 1.135 9.277 6.475 1.00 0.00 C ATOM 176 C ALA A 12 1.443 7.978 7.215 1.00 0.00 C ATOM 177 O ALA A 12 2.594 7.545 7.273 1.00 0.00 O ATOM 178 CB ALA A 12 0.703 8.985 5.044 1.00 0.00 C ATOM 0 H ALA A 12 2.887 10.084 5.659 1.00 0.00 H new ATOM 0 HA ALA A 12 0.317 9.775 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.160 8.319 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.436 9.918 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.523 8.509 4.506 1.00 0.00 H new ATOM 184 N ASN A 13 0.408 7.357 7.774 1.00 0.00 N ATOM 185 CA ASN A 13 0.568 6.102 8.507 1.00 0.00 C ATOM 186 C ASN A 13 0.764 4.914 7.560 1.00 0.00 C ATOM 187 O ASN A 13 0.748 3.761 7.990 1.00 0.00 O ATOM 188 CB ASN A 13 -0.649 5.856 9.403 1.00 0.00 C ATOM 189 CG ASN A 13 -0.430 6.345 10.821 1.00 0.00 C ATOM 190 OD1 ASN A 13 -1.125 7.243 11.296 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.543 5.754 11.507 1.00 0.00 N ATOM 0 H ASN A 13 -0.551 7.701 7.734 1.00 0.00 H new ATOM 0 HA ASN A 13 1.463 6.192 9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.517 6.359 8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.875 4.790 9.420 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.738 6.041 12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.095 5.013 11.074 1.00 0.00 H new ATOM 198 N CYS A 14 0.946 5.200 6.272 1.00 0.00 N ATOM 199 CA CYS A 14 1.143 4.153 5.269 1.00 0.00 C ATOM 200 C CYS A 14 2.294 3.225 5.655 1.00 0.00 C ATOM 201 O CYS A 14 2.292 2.041 5.322 1.00 0.00 O ATOM 202 CB CYS A 14 1.426 4.773 3.898 1.00 0.00 C ATOM 203 SG CYS A 14 2.609 6.142 3.940 1.00 0.00 S ATOM 0 H CYS A 14 0.961 6.149 5.897 1.00 0.00 H new ATOM 0 HA CYS A 14 0.225 3.567 5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.806 3.998 3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.488 5.129 3.471 1.00 0.00 H new ATOM 0 HG CYS A 14 3.567 5.863 4.774 1.00 0.00 H new ATOM 209 N GLN A 15 3.278 3.780 6.354 1.00 0.00 N ATOM 210 CA GLN A 15 4.447 3.027 6.788 1.00 0.00 C ATOM 211 C GLN A 15 4.050 1.738 7.513 1.00 0.00 C ATOM 212 O GLN A 15 4.715 0.709 7.378 1.00 0.00 O ATOM 213 CB GLN A 15 5.313 3.934 7.678 1.00 0.00 C ATOM 214 CG GLN A 15 5.557 3.417 9.092 1.00 0.00 C ATOM 215 CD GLN A 15 4.369 3.634 10.008 1.00 0.00 C ATOM 216 OE1 GLN A 15 3.810 2.682 10.556 1.00 0.00 O ATOM 217 NE2 GLN A 15 3.976 4.891 10.181 1.00 0.00 N ATOM 0 H GLN A 15 3.287 4.761 6.634 1.00 0.00 H new ATOM 0 HA GLN A 15 5.024 2.720 5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.277 4.080 7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.837 4.913 7.743 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.789 2.353 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.430 3.917 9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.468 5.649 9.708 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.182 5.098 10.787 1.00 0.00 H new ATOM 226 N MET A 16 2.969 1.801 8.284 1.00 0.00 N ATOM 227 CA MET A 16 2.497 0.639 9.029 1.00 0.00 C ATOM 228 C MET A 16 2.067 -0.480 8.086 1.00 0.00 C ATOM 229 O MET A 16 2.647 -1.567 8.091 1.00 0.00 O ATOM 230 CB MET A 16 1.331 1.031 9.938 1.00 0.00 C ATOM 231 CG MET A 16 0.832 -0.108 10.812 1.00 0.00 C ATOM 232 SD MET A 16 2.131 -0.810 11.847 1.00 0.00 S ATOM 233 CE MET A 16 1.653 -0.190 13.457 1.00 0.00 C ATOM 0 H MET A 16 2.405 2.642 8.409 1.00 0.00 H new ATOM 0 HA MET A 16 3.322 0.274 9.641 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.641 1.859 10.576 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.507 1.394 9.323 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.023 0.254 11.447 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.415 -0.891 10.179 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.362 -0.540 14.207 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.650 0.900 13.441 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.655 -0.552 13.705 1.00 0.00 H new ATOM 243 N LEU A 17 1.051 -0.207 7.275 1.00 0.00 N ATOM 244 CA LEU A 17 0.552 -1.194 6.325 1.00 0.00 C ATOM 245 C LEU A 17 1.603 -1.502 5.267 1.00 0.00 C ATOM 246 O LEU A 17 1.595 -2.577 4.668 1.00 0.00 O ATOM 247 CB LEU A 17 -0.729 -0.695 5.657 1.00 0.00 C ATOM 248 CG LEU A 17 -1.417 -1.712 4.744 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.400 -2.563 5.534 1.00 0.00 C ATOM 250 CD2 LEU A 17 -2.119 -1.005 3.594 1.00 0.00 C ATOM 0 H LEU A 17 0.558 0.686 7.256 1.00 0.00 H new ATOM 0 HA LEU A 17 0.330 -2.109 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.432 -0.391 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.494 0.195 5.073 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.656 -2.372 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.879 -3.280 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.868 -3.098 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.159 -1.921 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.603 -1.743 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.869 -0.321 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.388 -0.444 3.012 1.00 0.00 H new ATOM 262 N GLU A 18 2.510 -0.555 5.040 1.00 0.00 N ATOM 263 CA GLU A 18 3.573 -0.749 4.043 1.00 0.00 C ATOM 264 C GLU A 18 4.358 -2.019 4.353 1.00 0.00 C ATOM 265 O GLU A 18 4.557 -2.867 3.482 1.00 0.00 O ATOM 266 CB GLU A 18 4.543 0.449 3.970 1.00 0.00 C ATOM 267 CG GLU A 18 5.653 0.258 2.948 1.00 0.00 C ATOM 268 CD GLU A 18 6.883 -0.401 3.540 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.067 -0.319 4.773 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.664 -1.000 2.770 1.00 0.00 O ATOM 0 H GLU A 18 2.536 0.344 5.522 1.00 0.00 H new ATOM 0 HA GLU A 18 3.084 -0.837 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.981 1.349 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.986 0.610 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.281 -0.349 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.929 1.227 2.532 1.00 0.00 H new ATOM 277 N LYS A 19 4.797 -2.146 5.601 1.00 0.00 N ATOM 278 CA LYS A 19 5.555 -3.315 6.028 1.00 0.00 C ATOM 279 C LYS A 19 4.687 -4.569 5.976 1.00 0.00 C ATOM 280 O LYS A 19 5.104 -5.605 5.459 1.00 0.00 O ATOM 281 CB LYS A 19 6.093 -3.111 7.445 1.00 0.00 C ATOM 282 CG LYS A 19 7.372 -3.884 7.727 1.00 0.00 C ATOM 283 CD LYS A 19 7.109 -5.106 8.593 1.00 0.00 C ATOM 284 CE LYS A 19 8.214 -5.312 9.616 1.00 0.00 C ATOM 285 NZ LYS A 19 8.532 -6.755 9.807 1.00 0.00 N ATOM 0 H LYS A 19 4.641 -1.454 6.334 1.00 0.00 H new ATOM 0 HA LYS A 19 6.395 -3.445 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.277 -2.049 7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.330 -3.414 8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.825 -4.195 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.089 -3.232 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.154 -4.991 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.027 -5.990 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.110 -4.782 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.912 -4.877 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.290 -6.853 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.684 -7.256 10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.845 -7.164 8.903 1.00 0.00 H new ATOM 299 N ASN A 20 3.476 -4.466 6.517 1.00 0.00 N ATOM 300 CA ASN A 20 2.544 -5.592 6.534 1.00 0.00 C ATOM 301 C ASN A 20 2.293 -6.121 5.124 1.00 0.00 C ATOM 302 O ASN A 20 2.285 -7.330 4.896 1.00 0.00 O ATOM 303 CB ASN A 20 1.213 -5.179 7.171 1.00 0.00 C ATOM 304 CG ASN A 20 1.403 -4.385 8.449 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.511 -4.294 8.979 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.320 -3.804 8.952 1.00 0.00 N ATOM 0 H ASN A 20 3.116 -3.615 6.949 1.00 0.00 H new ATOM 0 HA ASN A 20 2.997 -6.386 7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.642 -4.584 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.624 -6.071 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.387 -3.256 9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.579 -3.905 8.480 1.00 0.00 H new ATOM 313 N ALA A 21 2.081 -5.206 4.187 1.00 0.00 N ATOM 314 CA ALA A 21 1.820 -5.570 2.801 1.00 0.00 C ATOM 315 C ALA A 21 2.961 -6.393 2.206 1.00 0.00 C ATOM 316 O ALA A 21 2.725 -7.351 1.471 1.00 0.00 O ATOM 317 CB ALA A 21 1.584 -4.320 1.969 1.00 0.00 C ATOM 0 H ALA A 21 2.085 -4.201 4.363 1.00 0.00 H new ATOM 0 HA ALA A 21 0.924 -6.190 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.390 -4.603 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.725 -3.777 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.467 -3.683 2.011 1.00 0.00 H new ATOM 323 N ARG A 22 4.196 -6.014 2.517 1.00 0.00 N ATOM 324 CA ARG A 22 5.362 -6.721 1.999 1.00 0.00 C ATOM 325 C ARG A 22 5.348 -8.188 2.414 1.00 0.00 C ATOM 326 O ARG A 22 5.577 -9.075 1.592 1.00 0.00 O ATOM 327 CB ARG A 22 6.653 -6.047 2.486 1.00 0.00 C ATOM 328 CG ARG A 22 7.485 -5.447 1.365 1.00 0.00 C ATOM 329 CD ARG A 22 8.967 -5.448 1.709 1.00 0.00 C ATOM 330 NE ARG A 22 9.776 -4.853 0.648 1.00 0.00 N ATOM 331 CZ ARG A 22 11.023 -4.421 0.820 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.609 -4.518 2.008 1.00 0.00 N ATOM 333 NH2 ARG A 22 11.686 -3.891 -0.198 1.00 0.00 N ATOM 0 H ARG A 22 4.415 -5.224 3.123 1.00 0.00 H new ATOM 0 HA ARG A 22 5.325 -6.677 0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.397 -5.262 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.256 -6.780 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.323 -6.013 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.156 -4.426 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.124 -4.897 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.297 -6.472 1.886 1.00 0.00 H new ATOM 0 HE ARG A 22 9.361 -4.763 -0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.103 -4.925 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.565 -4.185 2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.240 -3.814 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.642 -3.560 -0.067 1.00 0.00 H new ATOM 347 N GLU A 23 5.083 -8.441 3.688 1.00 0.00 N ATOM 348 CA GLU A 23 5.049 -9.806 4.195 1.00 0.00 C ATOM 349 C GLU A 23 3.814 -10.550 3.696 1.00 0.00 C ATOM 350 O GLU A 23 3.912 -11.681 3.231 1.00 0.00 O ATOM 351 CB GLU A 23 5.086 -9.812 5.727 1.00 0.00 C ATOM 352 CG GLU A 23 3.979 -8.995 6.374 1.00 0.00 C ATOM 353 CD GLU A 23 4.039 -9.030 7.888 1.00 0.00 C ATOM 354 OE1 GLU A 23 4.827 -8.255 8.469 1.00 0.00 O ATOM 355 OE2 GLU A 23 3.298 -9.833 8.493 1.00 0.00 O ATOM 0 H GLU A 23 4.889 -7.723 4.386 1.00 0.00 H new ATOM 0 HA GLU A 23 5.932 -10.322 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.017 -10.842 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.050 -9.426 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.049 -7.961 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.012 -9.374 6.043 1.00 0.00 H new ATOM 362 N ALA A 24 2.653 -9.911 3.799 1.00 0.00 N ATOM 363 CA ALA A 24 1.403 -10.526 3.363 1.00 0.00 C ATOM 364 C ALA A 24 1.405 -10.821 1.868 1.00 0.00 C ATOM 365 O ALA A 24 1.096 -11.936 1.452 1.00 0.00 O ATOM 366 CB ALA A 24 0.223 -9.635 3.726 1.00 0.00 C ATOM 0 H ALA A 24 2.551 -8.970 4.179 1.00 0.00 H new ATOM 0 HA ALA A 24 1.306 -11.479 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.703 -10.105 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.193 -9.494 4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.334 -8.667 3.237 1.00 0.00 H new ATOM 372 N VAL A 25 1.747 -9.823 1.060 1.00 0.00 N ATOM 373 CA VAL A 25 1.774 -9.999 -0.388 1.00 0.00 C ATOM 374 C VAL A 25 2.642 -11.202 -0.773 1.00 0.00 C ATOM 375 O VAL A 25 2.174 -12.124 -1.441 1.00 0.00 O ATOM 376 CB VAL A 25 2.266 -8.706 -1.112 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.771 -8.515 -0.975 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.862 -8.734 -2.578 1.00 0.00 C ATOM 0 H VAL A 25 2.008 -8.890 1.380 1.00 0.00 H new ATOM 0 HA VAL A 25 0.753 -10.193 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 25 1.786 -7.856 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.071 -7.604 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.033 -8.435 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.288 -9.369 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.212 -7.826 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.308 -9.603 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.776 -8.793 -2.655 1.00 0.00 H new ATOM 388 N LYS A 26 3.896 -11.197 -0.333 1.00 0.00 N ATOM 389 CA LYS A 26 4.818 -12.291 -0.617 1.00 0.00 C ATOM 390 C LYS A 26 4.388 -13.580 0.087 1.00 0.00 C ATOM 391 O LYS A 26 4.315 -14.640 -0.536 1.00 0.00 O ATOM 392 CB LYS A 26 6.233 -11.916 -0.168 1.00 0.00 C ATOM 393 CG LYS A 26 6.897 -10.862 -1.039 1.00 0.00 C ATOM 394 CD LYS A 26 7.948 -10.078 -0.267 1.00 0.00 C ATOM 395 CE LYS A 26 9.045 -10.989 0.263 1.00 0.00 C ATOM 396 NZ LYS A 26 9.907 -11.516 -0.831 1.00 0.00 N ATOM 0 H LYS A 26 4.299 -10.444 0.224 1.00 0.00 H new ATOM 0 HA LYS A 26 4.805 -12.464 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.193 -11.552 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.852 -12.813 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.360 -11.341 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.141 -10.177 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.386 -9.319 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.475 -9.554 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.659 -10.440 0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.595 -11.822 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.907 -11.364 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.731 -12.534 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.686 -11.019 -1.717 1.00 0.00 H new ATOM 410 N GLU A 27 4.113 -13.485 1.390 1.00 0.00 N ATOM 411 CA GLU A 27 3.705 -14.647 2.182 1.00 0.00 C ATOM 412 C GLU A 27 2.526 -15.373 1.546 1.00 0.00 C ATOM 413 O GLU A 27 2.547 -16.595 1.397 1.00 0.00 O ATOM 414 CB GLU A 27 3.343 -14.230 3.608 1.00 0.00 C ATOM 415 CG GLU A 27 2.964 -15.398 4.505 1.00 0.00 C ATOM 416 CD GLU A 27 1.639 -15.184 5.214 1.00 0.00 C ATOM 417 OE1 GLU A 27 1.513 -14.181 5.946 1.00 0.00 O ATOM 418 OE2 GLU A 27 0.730 -16.022 5.035 1.00 0.00 O ATOM 0 H GLU A 27 4.166 -12.615 1.919 1.00 0.00 H new ATOM 0 HA GLU A 27 4.553 -15.331 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.189 -13.703 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.512 -13.526 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.909 -16.308 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.748 -15.551 5.247 1.00 0.00 H new ATOM 425 N LEU A 28 1.498 -14.618 1.164 1.00 0.00 N ATOM 426 CA LEU A 28 0.318 -15.205 0.538 1.00 0.00 C ATOM 427 C LEU A 28 0.715 -16.081 -0.648 1.00 0.00 C ATOM 428 O LEU A 28 -0.041 -16.959 -1.066 1.00 0.00 O ATOM 429 CB LEU A 28 -0.647 -14.107 0.082 1.00 0.00 C ATOM 430 CG LEU A 28 -1.897 -13.947 0.949 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.811 -12.872 0.379 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.634 -15.272 1.067 1.00 0.00 C ATOM 0 H LEU A 28 1.459 -13.605 1.276 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.184 -15.830 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.112 -13.158 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.957 -14.318 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.587 -13.636 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.694 -12.773 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.279 -11.921 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.115 -13.150 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.521 -15.141 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.932 -15.612 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.978 -16.014 1.524 1.00 0.00 H new ATOM 444 N GLY A 29 1.908 -15.838 -1.183 1.00 0.00 N ATOM 445 CA GLY A 29 2.390 -16.612 -2.311 1.00 0.00 C ATOM 446 C GLY A 29 2.521 -15.777 -3.567 1.00 0.00 C ATOM 447 O GLY A 29 2.363 -16.286 -4.677 1.00 0.00 O ATOM 0 H GLY A 29 2.550 -15.117 -0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.359 -17.046 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.707 -17.441 -2.498 1.00 0.00 H new ATOM 451 N ILE A 30 2.813 -14.493 -3.392 1.00 0.00 N ATOM 452 CA ILE A 30 2.967 -13.585 -4.524 1.00 0.00 C ATOM 453 C ILE A 30 3.825 -12.382 -4.149 1.00 0.00 C ATOM 454 O ILE A 30 3.385 -11.493 -3.422 1.00 0.00 O ATOM 455 CB ILE A 30 1.609 -13.071 -5.057 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.453 -13.958 -4.585 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.634 -13.000 -6.577 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.913 -13.394 -4.911 1.00 0.00 C ATOM 0 H ILE A 30 2.948 -14.058 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 30 3.455 -14.164 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 30 1.447 -12.070 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.550 -14.942 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.531 -14.100 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.673 -12.637 -6.940 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.423 -12.319 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.824 -13.993 -6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.684 -14.074 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.030 -12.423 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.011 -13.278 -5.990 1.00 0.00 H new ATOM 470 N ASP A 31 5.047 -12.354 -4.663 1.00 0.00 N ATOM 471 CA ASP A 31 5.961 -11.258 -4.397 1.00 0.00 C ATOM 472 C ASP A 31 5.379 -9.955 -4.922 1.00 0.00 C ATOM 473 O ASP A 31 4.439 -9.964 -5.712 1.00 0.00 O ATOM 474 CB ASP A 31 7.321 -11.528 -5.045 1.00 0.00 C ATOM 475 CG ASP A 31 8.474 -11.262 -4.099 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.516 -10.164 -3.506 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.337 -12.153 -3.950 1.00 0.00 O ATOM 0 H ASP A 31 5.427 -13.082 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 31 6.101 -11.174 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.361 -12.564 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.429 -10.902 -5.931 1.00 0.00 H new ATOM 482 N ALA A 32 5.933 -8.840 -4.474 1.00 0.00 N ATOM 483 CA ALA A 32 5.469 -7.541 -4.898 1.00 0.00 C ATOM 484 C ALA A 32 6.606 -6.546 -4.815 1.00 0.00 C ATOM 485 O ALA A 32 7.697 -6.877 -4.348 1.00 0.00 O ATOM 486 CB ALA A 32 4.293 -7.094 -4.047 1.00 0.00 C ATOM 0 H ALA A 32 6.709 -8.815 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 32 5.129 -7.600 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.955 -6.113 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.478 -7.811 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.600 -7.037 -3.003 1.00 0.00 H new ATOM 492 N GLU A 33 6.356 -5.331 -5.256 1.00 0.00 N ATOM 493 CA GLU A 33 7.375 -4.306 -5.213 1.00 0.00 C ATOM 494 C GLU A 33 6.817 -3.053 -4.564 1.00 0.00 C ATOM 495 O GLU A 33 5.902 -2.423 -5.095 1.00 0.00 O ATOM 496 CB GLU A 33 7.892 -3.991 -6.617 1.00 0.00 C ATOM 497 CG GLU A 33 6.790 -3.833 -7.650 1.00 0.00 C ATOM 498 CD GLU A 33 7.324 -3.775 -9.068 1.00 0.00 C ATOM 499 OE1 GLU A 33 8.310 -3.045 -9.302 1.00 0.00 O ATOM 500 OE2 GLU A 33 6.755 -4.457 -9.945 1.00 0.00 O ATOM 0 H GLU A 33 5.462 -5.031 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 33 8.212 -4.674 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.479 -3.073 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.565 -4.788 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.093 -4.666 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.228 -2.923 -7.440 1.00 0.00 H new ATOM 507 N PHE A 34 7.349 -2.706 -3.403 1.00 0.00 N ATOM 508 CA PHE A 34 6.872 -1.540 -2.682 1.00 0.00 C ATOM 509 C PHE A 34 7.798 -0.350 -2.837 1.00 0.00 C ATOM 510 O PHE A 34 8.893 -0.308 -2.275 1.00 0.00 O ATOM 511 CB PHE A 34 6.684 -1.881 -1.208 1.00 0.00 C ATOM 512 CG PHE A 34 5.753 -3.035 -1.001 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.180 -4.334 -1.222 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.444 -2.823 -0.604 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.321 -5.399 -1.046 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.579 -3.883 -0.430 1.00 0.00 C ATOM 517 CZ PHE A 34 4.018 -5.174 -0.649 1.00 0.00 C ATOM 0 H PHE A 34 8.106 -3.212 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 34 5.913 -1.256 -3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.652 -2.116 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.297 -1.008 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.197 -4.515 -1.536 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.096 -1.816 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.667 -6.407 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.559 -3.704 -0.123 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.343 -6.006 -0.510 1.00 0.00 H new ATOM 527 N GLU A 35 7.323 0.631 -3.587 1.00 0.00 N ATOM 528 CA GLU A 35 8.062 1.860 -3.818 1.00 0.00 C ATOM 529 C GLU A 35 7.262 3.030 -3.267 1.00 0.00 C ATOM 530 O GLU A 35 6.073 3.160 -3.553 1.00 0.00 O ATOM 531 CB GLU A 35 8.328 2.057 -5.313 1.00 0.00 C ATOM 532 CG GLU A 35 9.361 1.095 -5.877 1.00 0.00 C ATOM 533 CD GLU A 35 10.412 1.795 -6.716 1.00 0.00 C ATOM 534 OE1 GLU A 35 11.021 2.765 -6.217 1.00 0.00 O ATOM 535 OE2 GLU A 35 10.627 1.373 -7.872 1.00 0.00 O ATOM 0 H GLU A 35 6.416 0.597 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 35 9.024 1.802 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.393 1.935 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.665 3.080 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.848 0.568 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.858 0.343 -6.485 1.00 0.00 H new ATOM 542 N LYS A 36 7.902 3.867 -2.462 1.00 0.00 N ATOM 543 CA LYS A 36 7.215 5.004 -1.867 1.00 0.00 C ATOM 544 C LYS A 36 7.078 6.145 -2.864 1.00 0.00 C ATOM 545 O LYS A 36 7.870 6.272 -3.798 1.00 0.00 O ATOM 546 CB LYS A 36 7.945 5.484 -0.614 1.00 0.00 C ATOM 547 CG LYS A 36 8.500 4.357 0.244 1.00 0.00 C ATOM 548 CD LYS A 36 10.007 4.472 0.416 1.00 0.00 C ATOM 549 CE LYS A 36 10.588 3.230 1.072 1.00 0.00 C ATOM 550 NZ LYS A 36 9.991 2.981 2.413 1.00 0.00 N ATOM 0 H LYS A 36 8.886 3.782 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 36 6.215 4.675 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.764 6.139 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.260 6.082 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.020 4.374 1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.258 3.398 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.475 4.624 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.240 5.348 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.414 2.366 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.668 3.342 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.505 2.210 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.059 3.844 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.992 2.715 2.304 1.00 0.00 H new ATOM 564 N ILE A 37 6.048 6.959 -2.667 1.00 0.00 N ATOM 565 CA ILE A 37 5.773 8.081 -3.554 1.00 0.00 C ATOM 566 C ILE A 37 5.615 9.370 -2.751 1.00 0.00 C ATOM 567 O ILE A 37 4.501 9.846 -2.530 1.00 0.00 O ATOM 568 CB ILE A 37 4.494 7.827 -4.396 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.736 6.594 -3.879 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.847 7.650 -5.862 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.487 5.295 -4.074 1.00 0.00 C ATOM 0 H ILE A 37 5.387 6.861 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 37 6.619 8.184 -4.233 1.00 0.00 H new ATOM 0 HB ILE A 37 3.845 8.697 -4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.525 6.726 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.775 6.528 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.938 7.473 -6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.339 8.551 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.519 6.799 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.892 4.469 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.675 5.139 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.436 5.340 -3.541 1.00 0.00 H new ATOM 583 N LYS A 38 6.740 9.923 -2.308 1.00 0.00 N ATOM 584 CA LYS A 38 6.735 11.148 -1.520 1.00 0.00 C ATOM 585 C LYS A 38 6.517 12.368 -2.406 1.00 0.00 C ATOM 586 O LYS A 38 7.446 13.124 -2.688 1.00 0.00 O ATOM 587 CB LYS A 38 8.051 11.290 -0.752 1.00 0.00 C ATOM 588 CG LYS A 38 9.284 11.075 -1.616 1.00 0.00 C ATOM 589 CD LYS A 38 10.419 12.001 -1.210 1.00 0.00 C ATOM 590 CE LYS A 38 11.297 12.357 -2.398 1.00 0.00 C ATOM 591 NZ LYS A 38 10.834 13.596 -3.081 1.00 0.00 N ATOM 0 H LYS A 38 7.669 9.540 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 38 5.911 11.088 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.098 12.284 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.063 10.573 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.611 10.039 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.030 11.246 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.009 12.912 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.023 11.522 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.325 12.491 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.299 11.530 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.460 13.804 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.862 13.460 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.856 14.391 -2.411 1.00 0.00 H new ATOM 605 N GLU A 39 5.274 12.553 -2.832 1.00 0.00 N ATOM 606 CA GLU A 39 4.905 13.686 -3.686 1.00 0.00 C ATOM 607 C GLU A 39 3.473 13.534 -4.191 1.00 0.00 C ATOM 608 O GLU A 39 3.126 12.512 -4.783 1.00 0.00 O ATOM 609 CB GLU A 39 5.864 13.801 -4.874 1.00 0.00 C ATOM 610 CG GLU A 39 6.127 12.477 -5.573 1.00 0.00 C ATOM 611 CD GLU A 39 7.433 12.474 -6.342 1.00 0.00 C ATOM 612 OE1 GLU A 39 7.921 13.571 -6.687 1.00 0.00 O ATOM 613 OE2 GLU A 39 7.967 11.375 -6.600 1.00 0.00 O ATOM 0 H GLU A 39 4.498 11.933 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 39 4.974 14.595 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.453 14.508 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.811 14.214 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.143 11.677 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.306 12.262 -6.257 1.00 0.00 H new ATOM 620 N MET A 40 2.644 14.552 -3.959 1.00 0.00 N ATOM 621 CA MET A 40 1.252 14.511 -4.394 1.00 0.00 C ATOM 622 C MET A 40 1.158 14.353 -5.902 1.00 0.00 C ATOM 623 O MET A 40 0.220 13.739 -6.410 1.00 0.00 O ATOM 624 CB MET A 40 0.509 15.770 -3.946 1.00 0.00 C ATOM 625 CG MET A 40 1.052 17.050 -4.566 1.00 0.00 C ATOM 626 SD MET A 40 1.734 18.184 -3.342 1.00 0.00 S ATOM 627 CE MET A 40 0.277 19.128 -2.906 1.00 0.00 C ATOM 0 H MET A 40 2.912 15.409 -3.475 1.00 0.00 H new ATOM 0 HA MET A 40 0.781 13.645 -3.929 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.546 15.670 -4.203 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.566 15.849 -2.860 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.825 16.797 -5.291 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.253 17.551 -5.113 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.538 19.874 -2.155 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.112 19.627 -3.793 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.483 18.459 -2.504 1.00 0.00 H new ATOM 637 N ASP A 41 2.142 14.878 -6.626 1.00 0.00 N ATOM 638 CA ASP A 41 2.146 14.741 -8.073 1.00 0.00 C ATOM 639 C ASP A 41 1.953 13.271 -8.419 1.00 0.00 C ATOM 640 O ASP A 41 1.311 12.921 -9.408 1.00 0.00 O ATOM 641 CB ASP A 41 3.458 15.259 -8.664 1.00 0.00 C ATOM 642 CG ASP A 41 3.469 16.768 -8.814 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.826 17.451 -7.989 1.00 0.00 O ATOM 644 OD2 ASP A 41 4.120 17.266 -9.756 1.00 0.00 O ATOM 0 H ASP A 41 2.933 15.393 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 41 1.336 15.334 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.287 14.954 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.621 14.799 -9.638 1.00 0.00 H new ATOM 649 N GLN A 42 2.501 12.417 -7.559 1.00 0.00 N ATOM 650 CA GLN A 42 2.386 10.980 -7.714 1.00 0.00 C ATOM 651 C GLN A 42 1.116 10.456 -7.040 1.00 0.00 C ATOM 652 O GLN A 42 0.505 9.501 -7.520 1.00 0.00 O ATOM 653 CB GLN A 42 3.616 10.281 -7.135 1.00 0.00 C ATOM 654 CG GLN A 42 4.881 10.507 -7.947 1.00 0.00 C ATOM 655 CD GLN A 42 4.829 9.839 -9.307 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.842 10.507 -10.341 1.00 0.00 O ATOM 657 NE2 GLN A 42 4.767 8.512 -9.313 1.00 0.00 N ATOM 0 H GLN A 42 3.035 12.706 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 42 2.324 10.760 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.779 10.635 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.420 9.211 -7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.037 11.578 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.738 10.125 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.759 7.998 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.728 8.007 -10.199 1.00 0.00 H new ATOM 666 N ILE A 43 0.724 11.072 -5.916 1.00 0.00 N ATOM 667 CA ILE A 43 -0.471 10.625 -5.196 1.00 0.00 C ATOM 668 C ILE A 43 -1.714 10.766 -6.061 1.00 0.00 C ATOM 669 O ILE A 43 -2.481 9.818 -6.230 1.00 0.00 O ATOM 670 CB ILE A 43 -0.685 11.340 -3.834 1.00 0.00 C ATOM 671 CG1 ILE A 43 -1.407 12.686 -4.001 1.00 0.00 C ATOM 672 CG2 ILE A 43 0.639 11.513 -3.103 1.00 0.00 C ATOM 673 CD1 ILE A 43 -1.568 13.457 -2.707 1.00 0.00 C ATOM 0 H ILE A 43 1.207 11.865 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.300 9.572 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.330 10.705 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.853 13.299 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.392 12.508 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.466 12.016 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.085 10.535 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.316 12.112 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.086 14.395 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.148 12.864 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.586 13.667 -2.284 1.00 0.00 H new ATOM 685 N LEU A 44 -1.895 11.949 -6.617 1.00 0.00 N ATOM 686 CA LEU A 44 -3.039 12.222 -7.478 1.00 0.00 C ATOM 687 C LEU A 44 -2.985 11.334 -8.714 1.00 0.00 C ATOM 688 O LEU A 44 -4.000 10.786 -9.141 1.00 0.00 O ATOM 689 CB LEU A 44 -3.087 13.713 -7.855 1.00 0.00 C ATOM 690 CG LEU A 44 -2.643 14.073 -9.280 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.212 15.424 -9.685 1.00 0.00 C ATOM 692 CD2 LEU A 44 -1.125 14.079 -9.382 1.00 0.00 C ATOM 0 H LEU A 44 -1.265 12.741 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.956 11.991 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.108 14.068 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.460 14.263 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.028 13.317 -9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.889 15.666 -10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.301 15.385 -9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.855 16.190 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.830 14.336 -10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.717 14.814 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.740 13.091 -9.131 1.00 0.00 H new ATOM 704 N GLU A 45 -1.787 11.176 -9.269 1.00 0.00 N ATOM 705 CA GLU A 45 -1.601 10.330 -10.440 1.00 0.00 C ATOM 706 C GLU A 45 -2.045 8.905 -10.128 1.00 0.00 C ATOM 707 O GLU A 45 -2.384 8.136 -11.028 1.00 0.00 O ATOM 708 CB GLU A 45 -0.137 10.340 -10.881 1.00 0.00 C ATOM 709 CG GLU A 45 0.049 10.143 -12.376 1.00 0.00 C ATOM 710 CD GLU A 45 1.298 10.823 -12.903 1.00 0.00 C ATOM 711 OE1 GLU A 45 1.809 11.736 -12.222 1.00 0.00 O ATOM 712 OE2 GLU A 45 1.765 10.440 -13.997 1.00 0.00 O ATOM 0 H GLU A 45 -0.935 11.621 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.210 10.723 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.315 11.288 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.399 9.554 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.101 9.076 -12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.822 10.534 -12.901 1.00 0.00 H new ATOM 719 N ALA A 46 -2.059 8.569 -8.839 1.00 0.00 N ATOM 720 CA ALA A 46 -2.481 7.253 -8.394 1.00 0.00 C ATOM 721 C ALA A 46 -3.993 7.144 -8.478 1.00 0.00 C ATOM 722 O ALA A 46 -4.535 6.113 -8.873 1.00 0.00 O ATOM 723 CB ALA A 46 -2.008 6.997 -6.969 1.00 0.00 C ATOM 0 H ALA A 46 -1.780 9.197 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.035 6.499 -9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.332 6.006 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.920 7.052 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.433 7.749 -6.304 1.00 0.00 H new ATOM 729 N GLY A 47 -4.670 8.228 -8.110 1.00 0.00 N ATOM 730 CA GLY A 47 -6.116 8.245 -8.156 1.00 0.00 C ATOM 731 C GLY A 47 -6.750 8.578 -6.818 1.00 0.00 C ATOM 732 O GLY A 47 -7.908 8.991 -6.766 1.00 0.00 O ATOM 0 H GLY A 47 -4.241 9.093 -7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.441 8.975 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.475 7.271 -8.489 1.00 0.00 H new ATOM 736 N LEU A 48 -6.001 8.398 -5.732 1.00 0.00 N ATOM 737 CA LEU A 48 -6.530 8.689 -4.402 1.00 0.00 C ATOM 738 C LEU A 48 -6.543 10.189 -4.125 1.00 0.00 C ATOM 739 O LEU A 48 -5.885 10.968 -4.815 1.00 0.00 O ATOM 740 CB LEU A 48 -5.741 7.947 -3.306 1.00 0.00 C ATOM 741 CG LEU A 48 -4.218 8.174 -3.242 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.473 6.987 -3.831 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.796 9.466 -3.928 1.00 0.00 C ATOM 0 H LEU A 48 -5.040 8.057 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.559 8.329 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.163 8.228 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.916 6.879 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.953 8.269 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.399 7.168 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.719 6.087 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.766 6.854 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.714 9.580 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.088 9.433 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.283 10.312 -3.443 1.00 0.00 H new ATOM 755 N THR A 49 -7.299 10.582 -3.107 1.00 0.00 N ATOM 756 CA THR A 49 -7.406 11.984 -2.724 1.00 0.00 C ATOM 757 C THR A 49 -6.833 12.212 -1.333 1.00 0.00 C ATOM 758 O THR A 49 -6.427 13.322 -0.990 1.00 0.00 O ATOM 759 CB THR A 49 -8.867 12.469 -2.757 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.483 12.087 -3.992 1.00 0.00 O ATOM 761 CG2 THR A 49 -8.939 13.980 -2.596 1.00 0.00 C ATOM 0 H THR A 49 -7.849 9.946 -2.530 1.00 0.00 H new ATOM 0 HA THR A 49 -6.831 12.558 -3.451 1.00 0.00 H new ATOM 0 HB THR A 49 -9.399 12.004 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.412 12.398 -4.004 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.981 14.299 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.496 14.266 -1.642 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.392 14.459 -3.408 1.00 0.00 H new ATOM 769 N ALA A 50 -6.796 11.151 -0.540 1.00 0.00 N ATOM 770 CA ALA A 50 -6.266 11.222 0.812 1.00 0.00 C ATOM 771 C ALA A 50 -4.742 11.200 0.789 1.00 0.00 C ATOM 772 O ALA A 50 -4.136 11.009 -0.265 1.00 0.00 O ATOM 773 CB ALA A 50 -6.801 10.067 1.637 1.00 0.00 C ATOM 0 H ALA A 50 -7.129 10.226 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.587 12.159 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.400 10.126 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.889 10.120 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.499 9.124 1.182 1.00 0.00 H new ATOM 779 N LEU A 51 -4.121 11.398 1.947 1.00 0.00 N ATOM 780 CA LEU A 51 -2.666 11.398 2.025 1.00 0.00 C ATOM 781 C LEU A 51 -2.110 9.974 2.023 1.00 0.00 C ATOM 782 O LEU A 51 -1.414 9.584 1.085 1.00 0.00 O ATOM 783 CB LEU A 51 -2.184 12.172 3.256 1.00 0.00 C ATOM 784 CG LEU A 51 -1.477 13.496 2.951 1.00 0.00 C ATOM 785 CD1 LEU A 51 -2.355 14.676 3.339 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.139 13.567 3.673 1.00 0.00 C ATOM 0 H LEU A 51 -4.597 11.559 2.835 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.286 11.903 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.041 12.374 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.504 11.536 3.823 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.292 13.545 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.834 15.607 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.287 14.637 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.574 14.631 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.348 14.515 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.301 13.493 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.496 12.744 3.345 1.00 0.00 H new ATOM 798 N PRO A 52 -2.404 9.170 3.062 1.00 0.00 N ATOM 799 CA PRO A 52 -1.923 7.784 3.146 1.00 0.00 C ATOM 800 C PRO A 52 -2.547 6.884 2.078 1.00 0.00 C ATOM 801 O PRO A 52 -3.199 5.889 2.396 1.00 0.00 O ATOM 802 CB PRO A 52 -2.357 7.322 4.548 1.00 0.00 C ATOM 803 CG PRO A 52 -2.762 8.560 5.275 1.00 0.00 C ATOM 804 CD PRO A 52 -3.223 9.531 4.228 1.00 0.00 C ATOM 0 HA PRO A 52 -0.847 7.726 2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.184 6.615 4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.541 6.815 5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.559 8.349 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.926 8.968 5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.288 9.427 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.057 10.564 4.534 1.00 0.00 H new ATOM 812 N GLY A 53 -2.344 7.235 0.811 1.00 0.00 N ATOM 813 CA GLY A 53 -2.893 6.448 -0.272 1.00 0.00 C ATOM 814 C GLY A 53 -2.055 5.230 -0.588 1.00 0.00 C ATOM 815 O GLY A 53 -0.829 5.305 -0.646 1.00 0.00 O ATOM 0 H GLY A 53 -1.808 8.052 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.903 6.132 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.974 7.070 -1.163 1.00 0.00 H new ATOM 819 N LEU A 54 -2.723 4.106 -0.802 1.00 0.00 N ATOM 820 CA LEU A 54 -2.044 2.863 -1.125 1.00 0.00 C ATOM 821 C LEU A 54 -2.628 2.265 -2.395 1.00 0.00 C ATOM 822 O LEU A 54 -3.671 1.611 -2.358 1.00 0.00 O ATOM 823 CB LEU A 54 -2.171 1.868 0.031 1.00 0.00 C ATOM 824 CG LEU A 54 -1.437 0.541 -0.172 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.082 0.570 0.519 1.00 0.00 C ATOM 826 CD2 LEU A 54 -2.275 -0.619 0.346 1.00 0.00 C ATOM 0 H LEU A 54 -3.739 4.031 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.987 3.075 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.794 2.339 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.228 1.659 0.196 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.276 0.398 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.426 -0.382 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.522 1.376 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.222 0.737 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.736 -1.554 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.468 -0.482 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.222 -0.653 -0.193 1.00 0.00 H new ATOM 838 N ALA A 55 -1.964 2.496 -3.523 1.00 0.00 N ATOM 839 CA ALA A 55 -2.449 1.976 -4.793 1.00 0.00 C ATOM 840 C ALA A 55 -1.744 0.679 -5.158 1.00 0.00 C ATOM 841 O ALA A 55 -0.518 0.628 -5.257 1.00 0.00 O ATOM 842 CB ALA A 55 -2.266 3.005 -5.897 1.00 0.00 C ATOM 0 H ALA A 55 -1.099 3.033 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.513 1.766 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.634 2.598 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.824 3.908 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.208 3.248 -5.996 1.00 0.00 H new ATOM 848 N VAL A 56 -2.533 -0.370 -5.356 1.00 0.00 N ATOM 849 CA VAL A 56 -1.999 -1.675 -5.710 1.00 0.00 C ATOM 850 C VAL A 56 -2.401 -2.062 -7.119 1.00 0.00 C ATOM 851 O VAL A 56 -3.528 -1.811 -7.547 1.00 0.00 O ATOM 852 CB VAL A 56 -2.463 -2.773 -4.735 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.439 -2.949 -3.630 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.837 -2.453 -4.160 1.00 0.00 C ATOM 0 H VAL A 56 -3.549 -0.340 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.914 -1.593 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.550 -3.710 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.774 -3.727 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.481 -3.235 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.325 -2.011 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.138 -3.246 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.795 -1.506 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.562 -2.378 -4.970 1.00 0.00 H new ATOM 864 N ASP A 57 -1.466 -2.665 -7.841 1.00 0.00 N ATOM 865 CA ASP A 57 -1.710 -3.082 -9.220 1.00 0.00 C ATOM 866 C ASP A 57 -2.406 -1.971 -10.006 1.00 0.00 C ATOM 867 O ASP A 57 -3.136 -2.235 -10.961 1.00 0.00 O ATOM 868 CB ASP A 57 -2.559 -4.353 -9.249 1.00 0.00 C ATOM 869 CG ASP A 57 -1.801 -5.569 -8.752 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.765 -5.784 -7.522 1.00 0.00 O ATOM 871 OD2 ASP A 57 -1.243 -6.304 -9.592 1.00 0.00 O ATOM 0 H ASP A 57 -0.530 -2.878 -7.496 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.748 -3.288 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.448 -4.207 -8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.902 -4.534 -10.268 1.00 0.00 H new ATOM 876 N GLY A 58 -2.182 -0.726 -9.586 1.00 0.00 N ATOM 877 CA GLY A 58 -2.800 0.406 -10.248 1.00 0.00 C ATOM 878 C GLY A 58 -4.263 0.556 -9.885 1.00 0.00 C ATOM 879 O GLY A 58 -5.090 0.877 -10.738 1.00 0.00 O ATOM 0 H GLY A 58 -1.582 -0.484 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.266 1.317 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.706 0.288 -11.328 1.00 0.00 H new ATOM 883 N GLU A 59 -4.585 0.320 -8.617 1.00 0.00 N ATOM 884 CA GLU A 59 -5.962 0.427 -8.148 1.00 0.00 C ATOM 885 C GLU A 59 -6.018 0.865 -6.687 1.00 0.00 C ATOM 886 O GLU A 59 -5.828 0.057 -5.778 1.00 0.00 O ATOM 887 CB GLU A 59 -6.683 -0.911 -8.317 1.00 0.00 C ATOM 888 CG GLU A 59 -7.308 -1.097 -9.691 1.00 0.00 C ATOM 889 CD GLU A 59 -8.618 -0.349 -9.842 1.00 0.00 C ATOM 890 OE1 GLU A 59 -9.252 -0.049 -8.808 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.009 -0.065 -10.993 1.00 0.00 O ATOM 0 H GLU A 59 -3.913 0.054 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.462 1.185 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.976 -1.721 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.462 -0.993 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.608 -0.755 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.478 -2.159 -9.868 1.00 0.00 H new ATOM 898 N LEU A 60 -6.293 2.149 -6.470 1.00 0.00 N ATOM 899 CA LEU A 60 -6.389 2.701 -5.118 1.00 0.00 C ATOM 900 C LEU A 60 -7.330 1.867 -4.259 1.00 0.00 C ATOM 901 O LEU A 60 -8.441 1.540 -4.677 1.00 0.00 O ATOM 902 CB LEU A 60 -6.883 4.152 -5.158 1.00 0.00 C ATOM 903 CG LEU A 60 -6.218 5.058 -6.201 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.773 4.643 -6.440 1.00 0.00 C ATOM 905 CD2 LEU A 60 -7.010 5.042 -7.503 1.00 0.00 C ATOM 0 H LEU A 60 -6.454 2.829 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.392 2.677 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.957 4.145 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.733 4.594 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.213 6.077 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.324 5.301 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.215 4.715 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.745 3.615 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.524 5.690 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.050 4.025 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.023 5.400 -7.317 1.00 0.00 H new ATOM 917 N LYS A 61 -6.877 1.517 -3.062 1.00 0.00 N ATOM 918 CA LYS A 61 -7.684 0.713 -2.154 1.00 0.00 C ATOM 919 C LYS A 61 -7.774 1.337 -0.763 1.00 0.00 C ATOM 920 O LYS A 61 -8.642 0.965 0.027 1.00 0.00 O ATOM 921 CB LYS A 61 -7.107 -0.700 -2.052 1.00 0.00 C ATOM 922 CG LYS A 61 -7.293 -1.525 -3.316 1.00 0.00 C ATOM 923 CD LYS A 61 -7.855 -2.904 -3.008 1.00 0.00 C ATOM 924 CE LYS A 61 -9.303 -2.828 -2.550 1.00 0.00 C ATOM 925 NZ LYS A 61 -9.509 -3.520 -1.247 1.00 0.00 N ATOM 0 H LYS A 61 -5.960 1.776 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.693 0.670 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.043 -0.634 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.580 -1.217 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.964 -1.002 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.336 -1.628 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.786 -3.532 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.252 -3.379 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.600 -1.783 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.947 -3.277 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.508 -3.446 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.249 -4.523 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.913 -3.075 -0.520 1.00 0.00 H new ATOM 939 N ILE A 62 -6.881 2.278 -0.451 1.00 0.00 N ATOM 940 CA ILE A 62 -6.900 2.914 0.866 1.00 0.00 C ATOM 941 C ILE A 62 -6.323 4.325 0.827 1.00 0.00 C ATOM 942 O ILE A 62 -5.244 4.549 0.281 1.00 0.00 O ATOM 943 CB ILE A 62 -6.117 2.093 1.914 1.00 0.00 C ATOM 944 CG1 ILE A 62 -6.180 0.596 1.598 1.00 0.00 C ATOM 945 CG2 ILE A 62 -6.663 2.363 3.308 1.00 0.00 C ATOM 946 CD1 ILE A 62 -5.287 -0.247 2.481 1.00 0.00 C ATOM 0 H ILE A 62 -6.149 2.611 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.950 2.962 1.155 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.072 2.402 1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.209 0.254 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.898 0.441 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.103 1.778 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.563 3.424 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.715 2.081 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.383 -1.296 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.251 0.068 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.583 -0.122 3.523 1.00 0.00 H new ATOM 958 N MET A 63 -7.048 5.267 1.425 1.00 0.00 N ATOM 959 CA MET A 63 -6.614 6.662 1.481 1.00 0.00 C ATOM 960 C MET A 63 -7.059 7.305 2.791 1.00 0.00 C ATOM 961 O MET A 63 -8.201 7.133 3.218 1.00 0.00 O ATOM 962 CB MET A 63 -7.167 7.460 0.291 1.00 0.00 C ATOM 963 CG MET A 63 -7.783 6.598 -0.786 1.00 0.00 C ATOM 964 SD MET A 63 -8.674 7.549 -2.033 1.00 0.00 S ATOM 965 CE MET A 63 -10.123 6.524 -2.268 1.00 0.00 C ATOM 0 H MET A 63 -7.943 5.089 1.880 1.00 0.00 H new ATOM 0 HA MET A 63 -5.525 6.677 1.429 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.917 8.163 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.361 8.050 -0.145 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.998 6.019 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.466 5.885 -0.325 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.775 6.980 -3.013 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.818 5.535 -2.610 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.660 6.432 -1.324 1.00 0.00 H new ATOM 975 N GLY A 64 -6.155 8.043 3.425 1.00 0.00 N ATOM 976 CA GLY A 64 -6.487 8.695 4.680 1.00 0.00 C ATOM 977 C GLY A 64 -6.124 7.851 5.885 1.00 0.00 C ATOM 978 O GLY A 64 -6.158 8.327 7.020 1.00 0.00 O ATOM 0 H GLY A 64 -5.203 8.202 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.965 9.650 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.555 8.913 4.701 1.00 0.00 H new ATOM 982 N ARG A 65 -5.776 6.593 5.632 1.00 0.00 N ATOM 983 CA ARG A 65 -5.402 5.660 6.692 1.00 0.00 C ATOM 984 C ARG A 65 -5.400 4.232 6.159 1.00 0.00 C ATOM 985 O ARG A 65 -6.458 3.650 5.920 1.00 0.00 O ATOM 986 CB ARG A 65 -6.367 5.768 7.880 1.00 0.00 C ATOM 987 CG ARG A 65 -5.788 6.523 9.066 1.00 0.00 C ATOM 988 CD ARG A 65 -5.143 5.578 10.066 1.00 0.00 C ATOM 989 NE ARG A 65 -5.367 6.004 11.446 1.00 0.00 N ATOM 990 CZ ARG A 65 -6.527 5.869 12.085 1.00 0.00 C ATOM 991 NH1 ARG A 65 -7.573 5.327 11.471 1.00 0.00 N ATOM 992 NH2 ARG A 65 -6.644 6.278 13.341 1.00 0.00 N ATOM 0 H ARG A 65 -5.745 6.193 4.694 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.400 5.918 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.279 6.267 7.552 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.649 4.765 8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.049 7.243 8.715 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.578 7.091 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.544 4.574 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.072 5.522 9.873 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.589 6.430 11.949 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.490 5.012 10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.459 5.226 11.966 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.845 6.696 13.818 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.533 6.174 13.830 1.00 0.00 H new ATOM 1006 N VAL A 66 -4.211 3.674 5.965 1.00 0.00 N ATOM 1007 CA VAL A 66 -4.085 2.316 5.453 1.00 0.00 C ATOM 1008 C VAL A 66 -4.905 1.334 6.286 1.00 0.00 C ATOM 1009 O VAL A 66 -5.354 1.661 7.384 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.618 1.851 5.430 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.859 2.516 4.292 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.945 2.134 6.764 1.00 0.00 C ATOM 0 H VAL A 66 -3.323 4.140 6.154 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.466 2.331 4.432 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.605 0.774 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.824 2.173 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.325 2.255 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.883 3.598 4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.909 1.798 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.972 3.205 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.471 1.602 7.557 1.00 0.00 H new ATOM 1022 N ALA A 67 -5.099 0.131 5.756 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.867 -0.896 6.450 1.00 0.00 C ATOM 1024 C ALA A 67 -5.006 -1.630 7.473 1.00 0.00 C ATOM 1025 O ALA A 67 -3.856 -1.260 7.712 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.455 -1.880 5.450 1.00 0.00 C ATOM 0 H ALA A 67 -4.735 -0.157 4.848 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.681 -0.406 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.026 -2.641 5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.112 -1.349 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.649 -2.355 4.890 1.00 0.00 H new ATOM 1032 N SER A 68 -5.571 -2.671 8.077 1.00 0.00 N ATOM 1033 CA SER A 68 -4.855 -3.457 9.076 1.00 0.00 C ATOM 1034 C SER A 68 -4.259 -4.715 8.455 1.00 0.00 C ATOM 1035 O SER A 68 -4.576 -5.068 7.319 1.00 0.00 O ATOM 1036 CB SER A 68 -5.792 -3.835 10.224 1.00 0.00 C ATOM 1037 OG SER A 68 -5.060 -4.187 11.385 1.00 0.00 O ATOM 0 H SER A 68 -6.522 -2.990 7.892 1.00 0.00 H new ATOM 0 HA SER A 68 -4.041 -2.847 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.454 -2.999 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.424 -4.670 9.922 1.00 0.00 H new ATOM 0 HG SER A 68 -5.682 -4.423 12.105 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.396 -5.390 9.207 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.755 -6.612 8.730 1.00 0.00 C ATOM 1045 C LYS A 69 -3.792 -7.665 8.354 1.00 0.00 C ATOM 1046 O LYS A 69 -3.788 -8.186 7.238 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.811 -7.168 9.798 1.00 0.00 C ATOM 1048 CG LYS A 69 -0.895 -8.267 9.287 1.00 0.00 C ATOM 1049 CD LYS A 69 -0.130 -8.927 10.422 1.00 0.00 C ATOM 1050 CE LYS A 69 0.310 -10.335 10.053 1.00 0.00 C ATOM 1051 NZ LYS A 69 0.453 -11.206 11.253 1.00 0.00 N ATOM 0 H LYS A 69 -3.124 -5.112 10.150 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.180 -6.363 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.203 -6.354 10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.402 -7.556 10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.484 -9.017 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.191 -7.850 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.744 -8.325 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.757 -8.962 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.417 -10.775 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.261 -10.290 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.754 -12.157 10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.165 -10.800 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.460 -11.270 11.746 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.680 -7.976 9.293 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.724 -8.969 9.060 1.00 0.00 C ATOM 1067 C GLU A 70 -6.562 -8.604 7.840 1.00 0.00 C ATOM 1068 O GLU A 70 -6.942 -9.471 7.053 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.623 -9.095 10.291 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.456 -10.367 10.309 1.00 0.00 C ATOM 1071 CD GLU A 70 -8.408 -10.424 11.487 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -7.936 -10.310 12.637 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -9.626 -10.583 11.258 1.00 0.00 O ATOM 0 H GLU A 70 -4.698 -7.555 10.222 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.241 -9.928 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.004 -9.063 11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.289 -8.234 10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.026 -10.437 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.792 -11.231 10.341 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.847 -7.314 7.688 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.640 -6.833 6.562 1.00 0.00 C ATOM 1082 C GLU A 71 -7.004 -7.236 5.236 1.00 0.00 C ATOM 1083 O GLU A 71 -7.694 -7.668 4.312 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.787 -5.311 6.630 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.873 -4.848 7.586 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.590 -3.605 7.095 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -9.683 -3.421 5.864 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.059 -2.817 7.943 1.00 0.00 O ATOM 0 H GLU A 71 -6.541 -6.583 8.330 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.628 -7.290 6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.836 -4.876 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.006 -4.930 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.598 -5.651 7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.431 -4.647 8.562 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.685 -7.096 5.149 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.957 -7.448 3.936 1.00 0.00 C ATOM 1097 C ILE A 72 -5.187 -8.910 3.566 1.00 0.00 C ATOM 1098 O ILE A 72 -5.615 -9.219 2.454 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.443 -7.194 4.099 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.185 -5.726 4.436 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.690 -7.589 2.837 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.614 -4.772 3.342 1.00 0.00 C ATOM 0 H ILE A 72 -5.099 -6.741 5.905 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.337 -6.812 3.136 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.078 -7.811 4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.714 -5.474 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.122 -5.588 4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.625 -7.401 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.849 -8.648 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.056 -7.001 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.402 -3.748 3.648 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.067 -4.998 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.683 -4.882 3.162 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.904 -9.806 4.506 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.083 -11.235 4.275 1.00 0.00 C ATOM 1116 C LYS A 73 -6.546 -11.561 3.986 1.00 0.00 C ATOM 1117 O LYS A 73 -6.847 -12.433 3.170 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.602 -12.035 5.488 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.457 -13.523 5.217 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.349 -14.137 6.056 1.00 0.00 C ATOM 1121 CE LYS A 73 -1.981 -13.888 5.441 1.00 0.00 C ATOM 1122 NZ LYS A 73 -1.701 -14.822 4.315 1.00 0.00 N ATOM 0 H LYS A 73 -4.551 -9.569 5.433 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.488 -11.513 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.641 -11.639 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.304 -11.891 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.399 -14.027 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.245 -13.682 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.378 -13.718 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.516 -15.210 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.926 -12.860 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.213 -14.001 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.960 -14.419 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.379 -15.736 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.568 -14.964 3.758 1.00 0.00 H new