USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 43 LYS NZ :NH3+ 164:sc= 1.19 (180deg=-0.189) USER MOD Set 1.2: A 48 ASN : amide:sc= 1.08 K(o=2.3,f=-5.6) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0188 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00303 USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= 0.647 (180deg=0.00114) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 163:sc= -0.0263 (180deg=-0.272) USER MOD Single : A 21 GLN :FLIP amide:sc= 1.09 F(o=0,f=1.1) USER MOD Single : A 22 THR OG1 : rot -81:sc= 1.93 USER MOD Single : A 26 HIS :FLIP no HE2:sc= -1.52 F(o=-2.2!,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ -131:sc= 1.03 (180deg=0.305) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.421) USER MOD Single : A 36 SER OG : rot 75:sc= 1.24 USER MOD Single : A 42 HIS : no HD1:sc= 0.939 K(o=0.94,f=-4.7!) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 55 GLN : amide:sc= -0.929 K(o=-0.93,f=-2.5) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0661) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.223 -22.647 -5.737 1.00 0.00 N ATOM 2 CA GLY A 1 14.729 -21.265 -5.701 1.00 0.00 C ATOM 3 C GLY A 1 15.648 -20.329 -6.450 1.00 0.00 C ATOM 4 O GLY A 1 16.872 -20.477 -6.367 1.00 0.00 O ATOM 0 H1 GLY A 1 15.107 -23.082 -4.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.683 -23.191 -6.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.230 -22.649 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.731 -21.223 -6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.639 -20.937 -4.666 1.00 0.00 H new ATOM 10 N PRO A 2 15.100 -19.365 -7.209 1.00 0.00 N ATOM 11 CA PRO A 2 15.906 -18.368 -7.930 1.00 0.00 C ATOM 12 C PRO A 2 16.748 -17.521 -6.978 1.00 0.00 C ATOM 13 O PRO A 2 16.316 -17.209 -5.862 1.00 0.00 O ATOM 14 CB PRO A 2 14.853 -17.490 -8.611 1.00 0.00 C ATOM 15 CG PRO A 2 13.642 -18.349 -8.688 1.00 0.00 C ATOM 16 CD PRO A 2 13.656 -19.167 -7.440 1.00 0.00 C ATOM 0 HA PRO A 2 16.612 -18.832 -8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.661 -16.584 -8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.180 -17.176 -9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.736 -17.746 -8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.666 -18.984 -9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.179 -18.648 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.131 -20.114 -7.569 1.00 0.00 H new ATOM 24 N LEU A 3 17.940 -17.157 -7.407 1.00 0.00 N ATOM 25 CA LEU A 3 18.810 -16.327 -6.596 1.00 0.00 C ATOM 26 C LEU A 3 18.942 -14.955 -7.247 1.00 0.00 C ATOM 27 O LEU A 3 19.508 -14.829 -8.340 1.00 0.00 O ATOM 28 CB LEU A 3 20.187 -16.987 -6.456 1.00 0.00 C ATOM 29 CG LEU A 3 21.236 -16.221 -5.644 1.00 0.00 C ATOM 30 CD1 LEU A 3 20.836 -16.143 -4.179 1.00 0.00 C ATOM 31 CD2 LEU A 3 22.606 -16.866 -5.795 1.00 0.00 C ATOM 0 H LEU A 3 18.329 -17.422 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 3 18.382 -16.213 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.050 -17.966 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 3 20.587 -17.156 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 3 21.291 -15.204 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 3 21.596 -15.595 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 3 19.879 -15.628 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 3 20.745 -17.150 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 3 23.337 -16.308 -5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 3 22.565 -17.895 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 3 22.898 -16.858 -6.845 1.00 0.00 H new ATOM 43 N GLY A 4 18.405 -13.936 -6.584 1.00 0.00 N ATOM 44 CA GLY A 4 18.420 -12.582 -7.118 1.00 0.00 C ATOM 45 C GLY A 4 17.371 -12.386 -8.201 1.00 0.00 C ATOM 46 O GLY A 4 16.529 -11.493 -8.120 1.00 0.00 O ATOM 0 H GLY A 4 17.953 -14.024 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.244 -11.872 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.407 -12.364 -7.525 1.00 0.00 H new ATOM 50 N SER A 5 17.421 -13.226 -9.205 1.00 0.00 N ATOM 51 CA SER A 5 16.491 -13.209 -10.311 1.00 0.00 C ATOM 52 C SER A 5 16.393 -14.604 -10.887 1.00 0.00 C ATOM 53 O SER A 5 17.226 -15.460 -10.583 1.00 0.00 O ATOM 54 CB SER A 5 16.961 -12.238 -11.392 1.00 0.00 C ATOM 55 OG SER A 5 17.036 -10.922 -10.889 1.00 0.00 O ATOM 0 H SER A 5 18.126 -13.959 -9.279 1.00 0.00 H new ATOM 0 HA SER A 5 15.515 -12.880 -9.955 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.939 -12.546 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.275 -12.270 -12.238 1.00 0.00 H new ATOM 0 HG SER A 5 17.341 -10.318 -11.598 1.00 0.00 H new ATOM 61 N LYS A 6 15.389 -14.842 -11.697 1.00 0.00 N ATOM 62 CA LYS A 6 15.225 -16.133 -12.309 1.00 0.00 C ATOM 63 C LYS A 6 15.465 -16.066 -13.803 1.00 0.00 C ATOM 64 O LYS A 6 15.284 -15.021 -14.434 1.00 0.00 O ATOM 65 CB LYS A 6 13.840 -16.718 -12.018 1.00 0.00 C ATOM 66 CG LYS A 6 12.685 -15.866 -12.500 1.00 0.00 C ATOM 67 CD LYS A 6 11.354 -16.497 -12.139 1.00 0.00 C ATOM 68 CE LYS A 6 10.195 -15.625 -12.583 1.00 0.00 C ATOM 69 NZ LYS A 6 10.189 -15.411 -14.052 1.00 0.00 N ATOM 0 H LYS A 6 14.675 -14.157 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 6 15.972 -16.795 -11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.769 -17.701 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.741 -16.867 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.752 -14.872 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.749 -15.738 -13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.275 -17.478 -12.607 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.303 -16.653 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.256 -16.089 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.252 -14.661 -12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.244 -15.100 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.888 -14.682 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.431 -16.301 -14.533 1.00 0.00 H new ATOM 83 N TYR A 7 15.884 -17.181 -14.349 1.00 0.00 N ATOM 84 CA TYR A 7 16.092 -17.334 -15.778 1.00 0.00 C ATOM 85 C TYR A 7 15.013 -18.222 -16.363 1.00 0.00 C ATOM 86 O TYR A 7 15.160 -18.797 -17.441 1.00 0.00 O ATOM 87 CB TYR A 7 17.490 -17.876 -16.061 1.00 0.00 C ATOM 88 CG TYR A 7 18.572 -16.898 -15.673 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.958 -15.894 -16.548 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.199 -16.968 -14.437 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.939 -14.986 -16.204 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.181 -16.059 -14.084 1.00 0.00 C ATOM 93 CZ TYR A 7 20.545 -15.072 -14.971 1.00 0.00 C ATOM 94 OH TYR A 7 21.522 -14.167 -14.626 1.00 0.00 O ATOM 0 H TYR A 7 16.094 -18.022 -13.811 1.00 0.00 H new ATOM 0 HA TYR A 7 16.021 -16.359 -16.259 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.633 -18.809 -15.515 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.579 -18.111 -17.122 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.483 -15.821 -17.515 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.916 -17.743 -13.740 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.230 -14.212 -16.899 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.659 -16.124 -13.118 1.00 0.00 H new ATOM 0 HH TYR A 7 21.847 -14.365 -13.723 1.00 0.00 H new ATOM 104 N GLU A 8 13.932 -18.328 -15.623 1.00 0.00 N ATOM 105 CA GLU A 8 12.784 -19.101 -16.020 1.00 0.00 C ATOM 106 C GLU A 8 11.701 -18.166 -16.554 1.00 0.00 C ATOM 107 O GLU A 8 11.333 -17.186 -15.890 1.00 0.00 O ATOM 108 CB GLU A 8 12.260 -19.880 -14.816 1.00 0.00 C ATOM 109 CG GLU A 8 11.107 -20.812 -15.122 1.00 0.00 C ATOM 110 CD GLU A 8 10.621 -21.530 -13.892 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.829 -20.946 -13.140 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.053 -22.675 -13.650 1.00 0.00 O ATOM 0 H GLU A 8 13.827 -17.872 -14.717 1.00 0.00 H new ATOM 0 HA GLU A 8 13.064 -19.803 -16.805 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.078 -20.462 -14.392 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.944 -19.171 -14.051 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.286 -20.242 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.419 -21.542 -15.868 1.00 0.00 H new ATOM 119 N CYS A 9 11.221 -18.458 -17.751 1.00 0.00 N ATOM 120 CA CYS A 9 10.154 -17.702 -18.385 1.00 0.00 C ATOM 121 C CYS A 9 8.846 -18.032 -17.678 1.00 0.00 C ATOM 122 O CYS A 9 8.381 -19.168 -17.731 1.00 0.00 O ATOM 123 CB CYS A 9 10.082 -18.096 -19.869 1.00 0.00 C ATOM 124 SG CYS A 9 8.867 -17.195 -20.895 1.00 0.00 S ATOM 0 H CYS A 9 11.565 -19.235 -18.316 1.00 0.00 H new ATOM 0 HA CYS A 9 10.339 -16.630 -18.315 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.070 -17.955 -20.308 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.856 -19.161 -19.929 1.00 0.00 H new ATOM 129 N PRO A 10 8.231 -17.053 -17.008 1.00 0.00 N ATOM 130 CA PRO A 10 7.085 -17.307 -16.130 1.00 0.00 C ATOM 131 C PRO A 10 5.828 -17.780 -16.871 1.00 0.00 C ATOM 132 O PRO A 10 4.904 -18.321 -16.260 1.00 0.00 O ATOM 133 CB PRO A 10 6.857 -15.957 -15.441 1.00 0.00 C ATOM 134 CG PRO A 10 7.425 -14.954 -16.383 1.00 0.00 C ATOM 135 CD PRO A 10 8.587 -15.625 -17.064 1.00 0.00 C ATOM 0 HA PRO A 10 7.289 -18.124 -15.437 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.797 -15.777 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.355 -15.917 -14.472 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.678 -14.637 -17.111 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.750 -14.060 -15.850 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.706 -15.280 -18.091 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.526 -15.424 -16.549 1.00 0.00 H new ATOM 143 N ILE A 11 5.773 -17.536 -18.171 1.00 0.00 N ATOM 144 CA ILE A 11 4.669 -18.028 -18.989 1.00 0.00 C ATOM 145 C ILE A 11 4.686 -19.563 -19.121 1.00 0.00 C ATOM 146 O ILE A 11 3.659 -20.232 -18.959 1.00 0.00 O ATOM 147 CB ILE A 11 4.649 -17.358 -20.388 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.317 -15.870 -20.242 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.638 -18.039 -21.309 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.456 -15.077 -21.523 1.00 0.00 C ATOM 0 H ILE A 11 6.476 -17.003 -18.683 1.00 0.00 H new ATOM 0 HA ILE A 11 3.751 -17.752 -18.470 1.00 0.00 H new ATOM 0 HB ILE A 11 5.636 -17.465 -20.838 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.295 -15.771 -19.875 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.971 -15.435 -19.486 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.645 -17.549 -22.283 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.905 -19.089 -21.429 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.642 -17.966 -20.873 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.203 -14.034 -21.334 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.483 -15.142 -21.882 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.782 -15.483 -22.277 1.00 0.00 H new ATOM 162 N CYS A 12 5.863 -20.111 -19.374 1.00 0.00 N ATOM 163 CA CYS A 12 5.997 -21.525 -19.688 1.00 0.00 C ATOM 164 C CYS A 12 6.645 -22.318 -18.554 1.00 0.00 C ATOM 165 O CYS A 12 6.553 -23.547 -18.515 1.00 0.00 O ATOM 166 CB CYS A 12 6.800 -21.673 -20.974 1.00 0.00 C ATOM 167 SG CYS A 12 8.335 -20.701 -20.988 1.00 0.00 S ATOM 0 H CYS A 12 6.743 -19.596 -19.368 1.00 0.00 H new ATOM 0 HA CYS A 12 4.997 -21.939 -19.820 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.044 -22.725 -21.121 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.180 -21.369 -21.817 1.00 0.00 H new ATOM 172 N LEU A 13 7.299 -21.605 -17.648 1.00 0.00 N ATOM 173 CA LEU A 13 7.993 -22.195 -16.504 1.00 0.00 C ATOM 174 C LEU A 13 9.144 -23.102 -16.964 1.00 0.00 C ATOM 175 O LEU A 13 9.314 -24.230 -16.485 1.00 0.00 O ATOM 176 CB LEU A 13 7.027 -22.943 -15.545 1.00 0.00 C ATOM 177 CG LEU A 13 6.026 -22.080 -14.738 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.924 -21.513 -15.621 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.432 -22.873 -13.586 1.00 0.00 C ATOM 0 H LEU A 13 7.365 -20.588 -17.684 1.00 0.00 H new ATOM 0 HA LEU A 13 8.421 -21.371 -15.932 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.456 -23.662 -16.133 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.628 -23.515 -14.838 1.00 0.00 H new ATOM 0 HG LEU A 13 6.585 -21.238 -14.329 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.244 -20.914 -15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.365 -20.887 -16.397 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.372 -22.331 -16.085 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.732 -22.245 -13.035 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.907 -23.745 -13.977 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.230 -23.199 -12.919 1.00 0.00 H new ATOM 191 N MET A 14 9.929 -22.597 -17.902 1.00 0.00 N ATOM 192 CA MET A 14 11.114 -23.295 -18.387 1.00 0.00 C ATOM 193 C MET A 14 12.209 -22.288 -18.703 1.00 0.00 C ATOM 194 O MET A 14 11.993 -21.078 -18.581 1.00 0.00 O ATOM 195 CB MET A 14 10.803 -24.163 -19.621 1.00 0.00 C ATOM 196 CG MET A 14 10.350 -23.390 -20.848 1.00 0.00 C ATOM 197 SD MET A 14 10.123 -24.441 -22.302 1.00 0.00 S ATOM 198 CE MET A 14 8.751 -25.467 -21.787 1.00 0.00 C ATOM 0 H MET A 14 9.766 -21.695 -18.349 1.00 0.00 H new ATOM 0 HA MET A 14 11.457 -23.967 -17.600 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.694 -24.735 -19.879 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.028 -24.882 -19.356 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.412 -22.881 -20.624 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.085 -22.618 -21.076 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.306 -25.944 -22.660 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.108 -26.232 -21.097 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.002 -24.851 -21.289 1.00 0.00 H new ATOM 208 N ALA A 15 13.380 -22.782 -19.088 1.00 0.00 N ATOM 209 CA ALA A 15 14.505 -21.920 -19.444 1.00 0.00 C ATOM 210 C ALA A 15 14.179 -21.075 -20.665 1.00 0.00 C ATOM 211 O ALA A 15 13.425 -21.508 -21.550 1.00 0.00 O ATOM 212 CB ALA A 15 15.761 -22.741 -19.687 1.00 0.00 C ATOM 0 H ALA A 15 13.577 -23.780 -19.162 1.00 0.00 H new ATOM 0 HA ALA A 15 14.689 -21.250 -18.604 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.584 -22.077 -19.950 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.015 -23.293 -18.782 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.585 -23.442 -20.503 1.00 0.00 H new ATOM 218 N LEU A 16 14.762 -19.891 -20.715 1.00 0.00 N ATOM 219 CA LEU A 16 14.470 -18.918 -21.753 1.00 0.00 C ATOM 220 C LEU A 16 15.038 -19.399 -23.083 1.00 0.00 C ATOM 221 O LEU A 16 16.203 -19.782 -23.156 1.00 0.00 O ATOM 222 CB LEU A 16 15.160 -17.602 -21.389 1.00 0.00 C ATOM 223 CG LEU A 16 14.854 -17.020 -20.004 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.669 -15.768 -19.753 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.381 -16.727 -19.853 1.00 0.00 C ATOM 0 H LEU A 16 15.454 -19.576 -20.035 1.00 0.00 H new ATOM 0 HA LEU A 16 13.391 -18.786 -21.837 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.237 -17.751 -21.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 14.888 -16.858 -22.138 1.00 0.00 H new ATOM 0 HG LEU A 16 15.132 -17.767 -19.261 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.435 -15.373 -18.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.731 -16.008 -19.805 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.429 -15.020 -20.508 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.192 -16.315 -18.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.074 -16.006 -20.610 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.812 -17.648 -19.978 1.00 0.00 H new ATOM 237 N ARG A 17 14.218 -19.399 -24.124 1.00 0.00 N ATOM 238 CA ARG A 17 14.677 -19.829 -25.440 1.00 0.00 C ATOM 239 C ARG A 17 15.640 -18.819 -26.084 1.00 0.00 C ATOM 240 O ARG A 17 16.695 -19.197 -26.609 1.00 0.00 O ATOM 241 CB ARG A 17 13.489 -20.133 -26.363 1.00 0.00 C ATOM 242 CG ARG A 17 13.885 -20.608 -27.750 1.00 0.00 C ATOM 243 CD ARG A 17 14.630 -21.930 -27.705 1.00 0.00 C ATOM 244 NE ARG A 17 15.004 -22.380 -29.044 1.00 0.00 N ATOM 245 CZ ARG A 17 16.207 -22.205 -29.592 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.166 -21.580 -28.917 1.00 0.00 N ATOM 247 NH2 ARG A 17 16.453 -22.658 -30.814 1.00 0.00 N ATOM 0 H ARG A 17 13.241 -19.109 -24.086 1.00 0.00 H new ATOM 0 HA ARG A 17 15.242 -20.750 -25.296 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.865 -20.894 -25.895 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.879 -19.235 -26.459 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.992 -20.716 -28.366 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.512 -19.854 -28.227 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.525 -21.824 -27.093 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.005 -22.685 -27.228 1.00 0.00 H new ATOM 0 HE ARG A 17 14.296 -22.861 -29.598 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.983 -21.232 -27.976 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.085 -21.448 -29.340 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.722 -23.141 -31.336 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.374 -22.523 -31.232 1.00 0.00 H new ATOM 261 N GLU A 18 15.279 -17.550 -26.040 1.00 0.00 N ATOM 262 CA GLU A 18 16.132 -16.504 -26.601 1.00 0.00 C ATOM 263 C GLU A 18 16.662 -15.582 -25.513 1.00 0.00 C ATOM 264 O GLU A 18 17.590 -14.803 -25.755 1.00 0.00 O ATOM 265 CB GLU A 18 15.391 -15.665 -27.655 1.00 0.00 C ATOM 266 CG GLU A 18 14.887 -16.433 -28.866 1.00 0.00 C ATOM 267 CD GLU A 18 13.546 -17.104 -28.648 1.00 0.00 C ATOM 268 OE1 GLU A 18 13.006 -17.039 -27.516 1.00 0.00 O ATOM 269 OE2 GLU A 18 13.012 -17.679 -29.621 1.00 0.00 O ATOM 0 H GLU A 18 14.409 -17.214 -25.626 1.00 0.00 H new ATOM 0 HA GLU A 18 16.968 -17.012 -27.083 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.541 -15.179 -27.175 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.058 -14.875 -27.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.808 -15.749 -29.711 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.623 -17.191 -29.136 1.00 0.00 H new ATOM 276 N ALA A 19 16.045 -15.660 -24.334 1.00 0.00 N ATOM 277 CA ALA A 19 16.400 -14.832 -23.177 1.00 0.00 C ATOM 278 C ALA A 19 16.289 -13.334 -23.466 1.00 0.00 C ATOM 279 O ALA A 19 17.260 -12.696 -23.884 1.00 0.00 O ATOM 280 CB ALA A 19 17.784 -15.188 -22.647 1.00 0.00 C ATOM 0 H ALA A 19 15.277 -16.306 -24.151 1.00 0.00 H new ATOM 0 HA ALA A 19 15.669 -15.055 -22.400 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.019 -14.557 -21.790 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.799 -16.234 -22.342 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.526 -15.027 -23.429 1.00 0.00 H new ATOM 286 N VAL A 20 15.099 -12.786 -23.267 1.00 0.00 N ATOM 287 CA VAL A 20 14.875 -11.359 -23.435 1.00 0.00 C ATOM 288 C VAL A 20 14.361 -10.724 -22.148 1.00 0.00 C ATOM 289 O VAL A 20 13.316 -11.115 -21.617 1.00 0.00 O ATOM 290 CB VAL A 20 13.943 -11.006 -24.636 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.613 -11.348 -25.956 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.590 -11.703 -24.527 1.00 0.00 C ATOM 0 H VAL A 20 14.271 -13.312 -22.988 1.00 0.00 H new ATOM 0 HA VAL A 20 15.851 -10.936 -23.673 1.00 0.00 H new ATOM 0 HB VAL A 20 13.764 -9.931 -24.603 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.946 -11.094 -26.779 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.539 -10.781 -26.051 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.836 -12.415 -25.985 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.971 -11.431 -25.382 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.737 -12.783 -24.514 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.094 -11.393 -23.607 1.00 0.00 H new ATOM 302 N GLN A 21 15.130 -9.800 -21.620 1.00 0.00 N ATOM 303 CA GLN A 21 14.742 -9.056 -20.442 1.00 0.00 C ATOM 304 C GLN A 21 13.770 -7.939 -20.822 1.00 0.00 C ATOM 305 O GLN A 21 13.924 -7.282 -21.859 1.00 0.00 O ATOM 306 CB GLN A 21 15.981 -8.499 -19.736 1.00 0.00 C ATOM 307 CG GLN A 21 15.689 -7.704 -18.474 1.00 0.00 C ATOM 308 CD GLN A 21 16.953 -7.219 -17.805 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.460 -7.994 -16.876 1.00 0.00 O flip ATOM 310 NE2 GLN A 21 17.466 -6.148 -18.117 1.00 0.00 N flip ATOM 0 H GLN A 21 16.043 -9.542 -21.995 1.00 0.00 H new ATOM 0 HA GLN A 21 14.233 -9.725 -19.748 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.641 -9.328 -19.482 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.524 -7.861 -20.433 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.059 -6.850 -18.722 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.125 -8.324 -17.777 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.042 -5.572 -18.845 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.316 -5.834 -17.648 1.00 0.00 H new ATOM 319 N THR A 22 12.771 -7.753 -19.999 1.00 0.00 N ATOM 320 CA THR A 22 11.729 -6.780 -20.240 1.00 0.00 C ATOM 321 C THR A 22 12.008 -5.486 -19.472 1.00 0.00 C ATOM 322 O THR A 22 12.752 -5.499 -18.495 1.00 0.00 O ATOM 323 CB THR A 22 10.377 -7.365 -19.806 1.00 0.00 C ATOM 324 OG1 THR A 22 10.471 -7.801 -18.451 1.00 0.00 O ATOM 325 CG2 THR A 22 10.033 -8.556 -20.675 1.00 0.00 C ATOM 0 H THR A 22 12.654 -8.277 -19.132 1.00 0.00 H new ATOM 0 HA THR A 22 11.704 -6.547 -21.304 1.00 0.00 H new ATOM 0 HB THR A 22 9.605 -6.602 -19.906 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.896 -8.684 -18.420 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.073 -8.968 -20.364 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.972 -8.241 -21.717 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.806 -9.318 -20.571 1.00 0.00 H new ATOM 333 N PRO A 23 11.400 -4.357 -19.895 1.00 0.00 N ATOM 334 CA PRO A 23 11.621 -3.040 -19.271 1.00 0.00 C ATOM 335 C PRO A 23 11.228 -2.975 -17.785 1.00 0.00 C ATOM 336 O PRO A 23 11.741 -2.141 -17.041 1.00 0.00 O ATOM 337 CB PRO A 23 10.731 -2.100 -20.101 1.00 0.00 C ATOM 338 CG PRO A 23 9.729 -2.998 -20.738 1.00 0.00 C ATOM 339 CD PRO A 23 10.477 -4.255 -21.042 1.00 0.00 C ATOM 0 HA PRO A 23 12.680 -2.782 -19.274 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.249 -1.352 -19.472 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.313 -1.561 -20.849 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.889 -3.190 -20.070 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.320 -2.553 -21.645 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.813 -5.117 -21.108 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.012 -4.191 -21.990 1.00 0.00 H new ATOM 347 N CYS A 24 10.315 -3.828 -17.352 1.00 0.00 N ATOM 348 CA CYS A 24 9.948 -3.854 -15.948 1.00 0.00 C ATOM 349 C CYS A 24 10.851 -4.777 -15.123 1.00 0.00 C ATOM 350 O CYS A 24 10.853 -4.719 -13.898 1.00 0.00 O ATOM 351 CB CYS A 24 8.462 -4.147 -15.751 1.00 0.00 C ATOM 352 SG CYS A 24 7.786 -5.431 -16.850 1.00 0.00 S ATOM 0 H CYS A 24 9.823 -4.500 -17.941 1.00 0.00 H new ATOM 0 HA CYS A 24 10.117 -2.850 -15.560 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.300 -4.451 -14.717 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.901 -3.225 -15.904 1.00 0.00 H new ATOM 357 N GLY A 25 11.609 -5.631 -15.798 1.00 0.00 N ATOM 358 CA GLY A 25 12.583 -6.449 -15.100 1.00 0.00 C ATOM 359 C GLY A 25 12.209 -7.914 -14.989 1.00 0.00 C ATOM 360 O GLY A 25 12.487 -8.554 -13.976 1.00 0.00 O ATOM 0 H GLY A 25 11.568 -5.772 -16.807 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.541 -6.369 -15.614 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.725 -6.046 -14.097 1.00 0.00 H new ATOM 364 N HIS A 26 11.582 -8.450 -16.013 1.00 0.00 N ATOM 365 CA HIS A 26 11.274 -9.879 -16.047 1.00 0.00 C ATOM 366 C HIS A 26 12.001 -10.482 -17.225 1.00 0.00 C ATOM 367 O HIS A 26 12.276 -9.781 -18.197 1.00 0.00 O ATOM 368 CB HIS A 26 9.782 -10.129 -16.261 1.00 0.00 C ATOM 369 CG HIS A 26 8.871 -9.401 -15.344 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.125 -8.308 -15.566 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 8.633 -9.770 -14.040 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 7.447 -8.022 -14.416 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 7.771 -8.923 -13.502 1.00 0.00 N flip ATOM 0 H HIS A 26 11.273 -7.928 -16.833 1.00 0.00 H new ATOM 0 HA HIS A 26 11.576 -10.318 -15.096 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.530 -9.857 -17.286 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.593 -11.198 -16.159 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.074 -7.784 -16.439 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.078 -10.615 -13.537 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.762 -7.199 -14.276 1.00 0.00 H new ATOM 380 N ARG A 27 12.320 -11.744 -17.155 1.00 0.00 N ATOM 381 CA ARG A 27 12.923 -12.417 -18.283 1.00 0.00 C ATOM 382 C ARG A 27 11.951 -13.390 -18.929 1.00 0.00 C ATOM 383 O ARG A 27 11.284 -14.165 -18.241 1.00 0.00 O ATOM 384 CB ARG A 27 14.226 -13.104 -17.884 1.00 0.00 C ATOM 385 CG ARG A 27 15.354 -12.137 -17.570 1.00 0.00 C ATOM 386 CD ARG A 27 16.608 -12.869 -17.125 1.00 0.00 C ATOM 387 NE ARG A 27 17.732 -11.949 -16.905 1.00 0.00 N ATOM 388 CZ ARG A 27 18.032 -11.338 -15.749 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.256 -11.485 -14.682 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.106 -10.562 -15.670 1.00 0.00 N ATOM 0 H ARG A 27 12.175 -12.331 -16.333 1.00 0.00 H new ATOM 0 HA ARG A 27 13.169 -11.661 -19.029 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.043 -13.731 -17.011 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.540 -13.765 -18.692 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.576 -11.537 -18.452 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.037 -11.448 -16.787 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.402 -13.416 -16.205 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.885 -13.606 -17.879 1.00 0.00 H new ATOM 0 HE ARG A 27 18.339 -11.758 -17.702 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.421 -12.068 -14.735 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.495 -11.015 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.702 -10.431 -16.487 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.336 -10.097 -14.792 1.00 0.00 H new ATOM 404 N PHE A 28 11.869 -13.327 -20.241 1.00 0.00 N ATOM 405 CA PHE A 28 10.973 -14.167 -21.026 1.00 0.00 C ATOM 406 C PHE A 28 11.698 -14.716 -22.233 1.00 0.00 C ATOM 407 O PHE A 28 12.794 -14.256 -22.581 1.00 0.00 O ATOM 408 CB PHE A 28 9.760 -13.374 -21.540 1.00 0.00 C ATOM 409 CG PHE A 28 8.778 -12.891 -20.508 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.696 -13.671 -20.150 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.916 -11.648 -19.928 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.775 -13.219 -19.228 1.00 0.00 C ATOM 413 CE2 PHE A 28 7.996 -11.190 -19.011 1.00 0.00 C ATOM 414 CZ PHE A 28 6.924 -11.976 -18.659 1.00 0.00 C ATOM 0 H PHE A 28 12.427 -12.685 -20.804 1.00 0.00 H new ATOM 0 HA PHE A 28 10.636 -14.970 -20.371 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.129 -12.508 -22.090 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.223 -13.999 -22.253 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.570 -14.646 -20.597 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.757 -11.025 -20.196 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.936 -13.842 -18.953 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.117 -10.212 -18.568 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.203 -11.619 -17.939 1.00 0.00 H new ATOM 424 N CYS A 29 11.111 -15.712 -22.850 1.00 0.00 N ATOM 425 CA CYS A 29 11.548 -16.148 -24.151 1.00 0.00 C ATOM 426 C CYS A 29 10.972 -15.177 -25.183 1.00 0.00 C ATOM 427 O CYS A 29 9.918 -14.566 -24.944 1.00 0.00 O ATOM 428 CB CYS A 29 11.034 -17.551 -24.426 1.00 0.00 C ATOM 429 SG CYS A 29 11.395 -18.757 -23.104 1.00 0.00 S ATOM 0 H CYS A 29 10.325 -16.238 -22.468 1.00 0.00 H new ATOM 0 HA CYS A 29 12.637 -16.163 -24.202 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.955 -17.507 -24.577 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.472 -17.909 -25.358 1.00 0.00 H new ATOM 434 N LYS A 30 11.625 -15.054 -26.321 1.00 0.00 N ATOM 435 CA LYS A 30 11.265 -14.041 -27.311 1.00 0.00 C ATOM 436 C LYS A 30 9.991 -14.443 -28.058 1.00 0.00 C ATOM 437 O LYS A 30 9.374 -13.639 -28.753 1.00 0.00 O ATOM 438 CB LYS A 30 12.422 -13.837 -28.293 1.00 0.00 C ATOM 439 CG LYS A 30 12.216 -12.728 -29.303 1.00 0.00 C ATOM 440 CD LYS A 30 13.413 -12.604 -30.216 1.00 0.00 C ATOM 441 CE LYS A 30 13.237 -11.481 -31.215 1.00 0.00 C ATOM 442 NZ LYS A 30 14.404 -11.377 -32.119 1.00 0.00 N ATOM 0 H LYS A 30 12.413 -15.643 -26.590 1.00 0.00 H new ATOM 0 HA LYS A 30 11.071 -13.101 -26.794 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.328 -13.627 -27.725 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.592 -14.770 -28.830 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.322 -12.929 -29.893 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.049 -11.784 -28.784 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.308 -12.425 -29.621 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.565 -13.544 -30.747 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.334 -11.651 -31.801 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.100 -10.538 -30.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.723 -10.388 -32.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.176 -11.974 -31.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.135 -11.696 -33.072 1.00 0.00 H new ATOM 456 N ALA A 31 9.579 -15.675 -27.874 1.00 0.00 N ATOM 457 CA ALA A 31 8.410 -16.179 -28.557 1.00 0.00 C ATOM 458 C ALA A 31 7.307 -16.455 -27.559 1.00 0.00 C ATOM 459 O ALA A 31 6.236 -16.944 -27.912 1.00 0.00 O ATOM 460 CB ALA A 31 8.756 -17.441 -29.321 1.00 0.00 C ATOM 0 H ALA A 31 10.035 -16.347 -27.257 1.00 0.00 H new ATOM 0 HA ALA A 31 8.062 -15.427 -29.266 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.868 -17.812 -29.832 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.531 -17.221 -30.055 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.118 -18.199 -28.627 1.00 0.00 H new ATOM 466 N CYS A 32 7.573 -16.147 -26.308 1.00 0.00 N ATOM 467 CA CYS A 32 6.563 -16.242 -25.294 1.00 0.00 C ATOM 468 C CYS A 32 5.948 -14.876 -25.034 1.00 0.00 C ATOM 469 O CYS A 32 4.739 -14.696 -25.174 1.00 0.00 O ATOM 470 CB CYS A 32 7.132 -16.842 -24.011 1.00 0.00 C ATOM 471 SG CYS A 32 7.847 -18.508 -24.217 1.00 0.00 S ATOM 0 H CYS A 32 8.483 -15.829 -25.975 1.00 0.00 H new ATOM 0 HA CYS A 32 5.778 -16.909 -25.650 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.901 -16.175 -23.621 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.341 -16.888 -23.263 1.00 0.00 H new ATOM 476 N ILE A 33 6.785 -13.901 -24.680 1.00 0.00 N ATOM 477 CA ILE A 33 6.282 -12.577 -24.329 1.00 0.00 C ATOM 478 C ILE A 33 5.678 -11.831 -25.531 1.00 0.00 C ATOM 479 O ILE A 33 4.613 -11.242 -25.417 1.00 0.00 O ATOM 480 CB ILE A 33 7.334 -11.704 -23.586 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.687 -10.428 -23.037 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.527 -11.368 -24.476 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.587 -10.687 -22.022 1.00 0.00 C ATOM 0 H ILE A 33 7.799 -14.002 -24.629 1.00 0.00 H new ATOM 0 HA ILE A 33 5.470 -12.756 -23.625 1.00 0.00 H new ATOM 0 HB ILE A 33 7.711 -12.290 -22.748 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.457 -9.811 -22.575 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.275 -9.854 -23.867 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.237 -10.757 -23.918 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.014 -12.290 -24.795 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.184 -10.817 -25.351 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.177 -9.737 -21.679 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.796 -11.277 -22.485 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.997 -11.233 -21.172 1.00 0.00 H new ATOM 495 N ILE A 34 6.325 -11.923 -26.691 1.00 0.00 N ATOM 496 CA ILE A 34 5.858 -11.229 -27.894 1.00 0.00 C ATOM 497 C ILE A 34 4.481 -11.731 -28.315 1.00 0.00 C ATOM 498 O ILE A 34 3.582 -10.945 -28.631 1.00 0.00 O ATOM 499 CB ILE A 34 6.879 -11.297 -29.069 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.126 -10.472 -28.722 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.263 -10.805 -30.373 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.253 -10.593 -29.726 1.00 0.00 C ATOM 0 H ILE A 34 7.175 -12.471 -26.826 1.00 0.00 H new ATOM 0 HA ILE A 34 5.770 -10.174 -27.633 1.00 0.00 H new ATOM 0 HB ILE A 34 7.164 -12.339 -29.212 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.841 -9.423 -28.638 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.492 -10.783 -27.743 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.003 -10.866 -31.171 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.404 -11.426 -30.627 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.941 -9.770 -30.256 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.094 -9.979 -29.404 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.569 -11.634 -29.795 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.908 -10.253 -30.703 1.00 0.00 H new ATOM 514 N LYS A 35 4.299 -13.035 -28.249 1.00 0.00 N ATOM 515 CA LYS A 35 3.064 -13.662 -28.677 1.00 0.00 C ATOM 516 C LYS A 35 1.964 -13.497 -27.601 1.00 0.00 C ATOM 517 O LYS A 35 0.820 -13.911 -27.782 1.00 0.00 O ATOM 518 CB LYS A 35 3.325 -15.153 -28.976 1.00 0.00 C ATOM 519 CG LYS A 35 2.101 -15.926 -29.429 1.00 0.00 C ATOM 520 CD LYS A 35 1.564 -15.400 -30.748 1.00 0.00 C ATOM 521 CE LYS A 35 0.251 -16.065 -31.095 1.00 0.00 C ATOM 522 NZ LYS A 35 -0.794 -15.729 -30.099 1.00 0.00 N ATOM 0 H LYS A 35 5.000 -13.688 -27.899 1.00 0.00 H new ATOM 0 HA LYS A 35 2.710 -13.175 -29.586 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.092 -15.227 -29.747 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.727 -15.626 -28.080 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.354 -16.981 -29.534 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.325 -15.859 -28.667 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.425 -14.321 -30.685 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.290 -15.582 -31.540 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.071 -15.747 -32.087 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.386 -17.146 -31.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.733 -15.913 -30.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.664 -16.314 -29.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.719 -14.724 -29.842 1.00 0.00 H new ATOM 536 N SER A 36 2.310 -12.868 -26.501 1.00 0.00 N ATOM 537 CA SER A 36 1.342 -12.617 -25.459 1.00 0.00 C ATOM 538 C SER A 36 0.931 -11.143 -25.431 1.00 0.00 C ATOM 539 O SER A 36 -0.160 -10.801 -24.980 1.00 0.00 O ATOM 540 CB SER A 36 1.910 -13.045 -24.107 1.00 0.00 C ATOM 541 OG SER A 36 2.265 -14.421 -24.130 1.00 0.00 O ATOM 0 H SER A 36 3.250 -12.523 -26.306 1.00 0.00 H new ATOM 0 HA SER A 36 0.449 -13.205 -25.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.785 -12.441 -23.866 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.174 -12.866 -23.323 1.00 0.00 H new ATOM 0 HG SER A 36 3.095 -14.536 -24.638 1.00 0.00 H new ATOM 547 N ILE A 37 1.772 -10.278 -25.981 1.00 0.00 N ATOM 548 CA ILE A 37 1.542 -8.844 -25.857 1.00 0.00 C ATOM 549 C ILE A 37 1.003 -8.213 -27.136 1.00 0.00 C ATOM 550 O ILE A 37 0.584 -7.053 -27.137 1.00 0.00 O ATOM 551 CB ILE A 37 2.811 -8.105 -25.376 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.976 -8.350 -26.340 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.173 -8.530 -23.954 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.247 -7.618 -25.974 1.00 0.00 C ATOM 0 H ILE A 37 2.606 -10.537 -26.509 1.00 0.00 H new ATOM 0 HA ILE A 37 0.768 -8.730 -25.098 1.00 0.00 H new ATOM 0 HB ILE A 37 2.605 -7.035 -25.365 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.184 -9.419 -26.377 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.673 -8.049 -27.343 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.069 -7.999 -23.633 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.349 -8.291 -23.282 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.360 -9.604 -23.932 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.022 -7.845 -26.706 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.059 -6.544 -25.966 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.578 -7.936 -24.985 1.00 0.00 H new ATOM 566 N ARG A 38 0.999 -8.966 -28.222 1.00 0.00 N ATOM 567 CA ARG A 38 0.362 -8.494 -29.445 1.00 0.00 C ATOM 568 C ARG A 38 -1.009 -9.134 -29.632 1.00 0.00 C ATOM 569 O ARG A 38 -1.696 -8.895 -30.630 1.00 0.00 O ATOM 570 CB ARG A 38 1.260 -8.660 -30.678 1.00 0.00 C ATOM 571 CG ARG A 38 1.682 -10.082 -30.995 1.00 0.00 C ATOM 572 CD ARG A 38 2.519 -10.119 -32.267 1.00 0.00 C ATOM 573 NE ARG A 38 3.728 -9.294 -32.149 1.00 0.00 N ATOM 574 CZ ARG A 38 4.616 -9.082 -33.128 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.474 -9.677 -34.314 1.00 0.00 N ATOM 576 NH2 ARG A 38 5.641 -8.266 -32.912 1.00 0.00 N ATOM 0 H ARG A 38 1.421 -9.892 -28.286 1.00 0.00 H new ATOM 0 HA ARG A 38 0.207 -7.421 -29.335 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.737 -8.254 -31.544 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.157 -8.057 -30.536 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.255 -10.491 -30.163 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.800 -10.711 -31.115 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.802 -11.149 -32.486 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.920 -9.767 -33.107 1.00 0.00 H new ATOM 0 HE ARG A 38 3.905 -8.847 -31.250 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.684 -10.300 -34.481 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.156 -9.509 -35.054 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.746 -7.808 -32.007 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.323 -8.098 -33.651 1.00 0.00 H new ATOM 590 N ASP A 39 -1.405 -9.938 -28.655 1.00 0.00 N ATOM 591 CA ASP A 39 -2.728 -10.561 -28.656 1.00 0.00 C ATOM 592 C ASP A 39 -3.550 -10.065 -27.487 1.00 0.00 C ATOM 593 O ASP A 39 -4.710 -9.690 -27.650 1.00 0.00 O ATOM 594 CB ASP A 39 -2.646 -12.089 -28.638 1.00 0.00 C ATOM 595 CG ASP A 39 -2.181 -12.669 -29.960 1.00 0.00 C ATOM 596 OD1 ASP A 39 -2.999 -12.755 -30.904 1.00 0.00 O ATOM 597 OD2 ASP A 39 -1.004 -13.056 -30.073 1.00 0.00 O ATOM 0 H ASP A 39 -0.829 -10.177 -27.848 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.219 -10.272 -29.585 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.963 -12.402 -27.849 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.626 -12.498 -28.392 1.00 0.00 H new ATOM 602 N ALA A 40 -2.959 -10.053 -26.304 1.00 0.00 N ATOM 603 CA ALA A 40 -3.646 -9.514 -25.150 1.00 0.00 C ATOM 604 C ALA A 40 -3.470 -8.004 -25.107 1.00 0.00 C ATOM 605 O ALA A 40 -4.383 -7.249 -25.456 1.00 0.00 O ATOM 606 CB ALA A 40 -3.147 -10.164 -23.867 1.00 0.00 C ATOM 0 H ALA A 40 -2.019 -10.405 -26.122 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.709 -9.738 -25.235 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.679 -9.742 -23.014 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.326 -11.238 -23.910 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.079 -9.978 -23.757 1.00 0.00 H new ATOM 612 N GLY A 41 -2.291 -7.575 -24.722 1.00 0.00 N ATOM 613 CA GLY A 41 -1.979 -6.173 -24.661 1.00 0.00 C ATOM 614 C GLY A 41 -0.541 -5.983 -24.277 1.00 0.00 C ATOM 615 O GLY A 41 0.115 -6.942 -23.870 1.00 0.00 O ATOM 0 H GLY A 41 -1.525 -8.189 -24.444 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.170 -5.707 -25.628 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.626 -5.679 -23.936 1.00 0.00 H new ATOM 619 N HIS A 42 -0.037 -4.773 -24.379 1.00 0.00 N ATOM 620 CA HIS A 42 1.362 -4.523 -24.069 1.00 0.00 C ATOM 621 C HIS A 42 1.596 -4.313 -22.586 1.00 0.00 C ATOM 622 O HIS A 42 1.870 -3.202 -22.132 1.00 0.00 O ATOM 623 CB HIS A 42 1.951 -3.375 -24.893 1.00 0.00 C ATOM 624 CG HIS A 42 2.138 -3.702 -26.341 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.244 -3.345 -27.318 1.00 0.00 N ATOM 626 CD2 HIS A 42 3.133 -4.366 -26.976 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.677 -3.773 -28.484 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.817 -4.395 -28.305 1.00 0.00 N ATOM 0 H HIS A 42 -0.565 -3.951 -24.671 1.00 0.00 H new ATOM 0 HA HIS A 42 1.896 -5.429 -24.356 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.297 -2.507 -24.808 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.914 -3.092 -24.467 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.013 -4.793 -26.517 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.177 -3.635 -29.431 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.377 -4.830 -29.038 1.00 0.00 H new ATOM 637 N LYS A 43 1.433 -5.380 -21.841 1.00 0.00 N ATOM 638 CA LYS A 43 1.757 -5.432 -20.437 1.00 0.00 C ATOM 639 C LYS A 43 2.109 -6.863 -20.085 1.00 0.00 C ATOM 640 O LYS A 43 1.616 -7.795 -20.737 1.00 0.00 O ATOM 641 CB LYS A 43 0.584 -4.929 -19.568 1.00 0.00 C ATOM 642 CG LYS A 43 -0.690 -5.755 -19.663 1.00 0.00 C ATOM 643 CD LYS A 43 -1.788 -5.163 -18.793 1.00 0.00 C ATOM 644 CE LYS A 43 -3.077 -5.963 -18.901 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.906 -7.367 -18.448 1.00 0.00 N ATOM 0 H LYS A 43 1.062 -6.258 -22.204 1.00 0.00 H new ATOM 0 HA LYS A 43 2.604 -4.776 -20.236 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.907 -4.906 -18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.355 -3.902 -19.853 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.025 -5.796 -20.700 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.487 -6.780 -19.352 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.458 -5.141 -17.754 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.973 -4.131 -19.091 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.852 -5.482 -18.304 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.421 -5.956 -19.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.839 -7.794 -18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.404 -7.909 -19.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.355 -7.383 -17.566 1.00 0.00 H new ATOM 659 N CYS A 44 2.953 -7.059 -19.094 1.00 0.00 N ATOM 660 CA CYS A 44 3.289 -8.406 -18.699 1.00 0.00 C ATOM 661 C CYS A 44 2.226 -8.943 -17.750 1.00 0.00 C ATOM 662 O CYS A 44 1.650 -8.189 -16.966 1.00 0.00 O ATOM 663 CB CYS A 44 4.684 -8.469 -18.062 1.00 0.00 C ATOM 664 SG CYS A 44 4.843 -7.564 -16.507 1.00 0.00 S ATOM 0 H CYS A 44 3.409 -6.320 -18.559 1.00 0.00 H new ATOM 0 HA CYS A 44 3.315 -9.034 -19.589 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.942 -9.513 -17.887 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.411 -8.075 -18.772 1.00 0.00 H new ATOM 669 N PRO A 45 1.942 -10.247 -17.811 1.00 0.00 N ATOM 670 CA PRO A 45 0.935 -10.880 -16.952 1.00 0.00 C ATOM 671 C PRO A 45 1.329 -10.858 -15.471 1.00 0.00 C ATOM 672 O PRO A 45 0.485 -11.034 -14.591 1.00 0.00 O ATOM 673 CB PRO A 45 0.872 -12.319 -17.481 1.00 0.00 C ATOM 674 CG PRO A 45 2.200 -12.534 -18.116 1.00 0.00 C ATOM 675 CD PRO A 45 2.571 -11.219 -18.726 1.00 0.00 C ATOM 0 HA PRO A 45 -0.021 -10.359 -16.990 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.696 -13.032 -16.675 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.062 -12.444 -18.200 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.940 -12.848 -17.380 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.151 -13.317 -18.872 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.652 -11.087 -18.776 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.190 -11.123 -19.743 1.00 0.00 H new ATOM 683 N VAL A 46 2.612 -10.649 -15.204 1.00 0.00 N ATOM 684 CA VAL A 46 3.124 -10.687 -13.847 1.00 0.00 C ATOM 685 C VAL A 46 2.677 -9.464 -13.016 1.00 0.00 C ATOM 686 O VAL A 46 1.800 -9.578 -12.165 1.00 0.00 O ATOM 687 CB VAL A 46 4.666 -10.823 -13.812 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.161 -10.955 -12.377 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.114 -12.019 -14.637 1.00 0.00 C ATOM 0 H VAL A 46 3.316 -10.451 -15.915 1.00 0.00 H new ATOM 0 HA VAL A 46 2.693 -11.578 -13.390 1.00 0.00 H new ATOM 0 HB VAL A 46 5.098 -9.921 -14.245 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.247 -11.049 -12.374 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.872 -10.070 -11.810 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.719 -11.840 -11.919 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.200 -12.099 -14.601 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.669 -12.928 -14.231 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.794 -11.888 -15.671 1.00 0.00 H new ATOM 699 N ASP A 47 3.265 -8.302 -13.271 1.00 0.00 N ATOM 700 CA ASP A 47 2.954 -7.117 -12.458 1.00 0.00 C ATOM 701 C ASP A 47 2.091 -6.118 -13.217 1.00 0.00 C ATOM 702 O ASP A 47 1.773 -5.040 -12.701 1.00 0.00 O ATOM 703 CB ASP A 47 4.244 -6.426 -11.954 1.00 0.00 C ATOM 704 CG ASP A 47 5.202 -5.994 -13.059 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.790 -5.900 -14.227 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.382 -5.761 -12.778 1.00 0.00 O ATOM 0 H ASP A 47 3.946 -8.148 -14.015 1.00 0.00 H new ATOM 0 HA ASP A 47 2.386 -7.469 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.967 -5.550 -11.368 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.767 -7.107 -11.282 1.00 0.00 H new ATOM 711 N ASN A 48 1.685 -6.504 -14.423 1.00 0.00 N ATOM 712 CA ASN A 48 0.836 -5.683 -15.303 1.00 0.00 C ATOM 713 C ASN A 48 1.444 -4.313 -15.626 1.00 0.00 C ATOM 714 O ASN A 48 0.718 -3.343 -15.906 1.00 0.00 O ATOM 715 CB ASN A 48 -0.587 -5.524 -14.740 1.00 0.00 C ATOM 716 CG ASN A 48 -1.398 -6.798 -14.820 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.970 -7.110 -15.860 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.466 -7.532 -13.726 1.00 0.00 N ATOM 0 H ASN A 48 1.935 -7.406 -14.829 1.00 0.00 H new ATOM 0 HA ASN A 48 0.776 -6.232 -16.243 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.527 -5.202 -13.700 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.103 -4.736 -15.288 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.009 -8.395 -13.724 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.975 -7.236 -12.882 1.00 0.00 H new ATOM 725 N GLU A 49 2.764 -4.235 -15.633 1.00 0.00 N ATOM 726 CA GLU A 49 3.434 -3.037 -16.103 1.00 0.00 C ATOM 727 C GLU A 49 3.434 -3.014 -17.612 1.00 0.00 C ATOM 728 O GLU A 49 3.484 -4.068 -18.252 1.00 0.00 O ATOM 729 CB GLU A 49 4.862 -2.934 -15.569 1.00 0.00 C ATOM 730 CG GLU A 49 4.948 -2.622 -14.089 1.00 0.00 C ATOM 731 CD GLU A 49 4.370 -1.267 -13.767 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.797 -0.269 -14.395 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.479 -1.180 -12.897 1.00 0.00 O ATOM 0 H GLU A 49 3.387 -4.980 -15.321 1.00 0.00 H new ATOM 0 HA GLU A 49 2.885 -2.175 -15.724 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.379 -3.874 -15.762 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.391 -2.159 -16.124 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.415 -3.388 -13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.990 -2.658 -13.770 1.00 0.00 H new ATOM 740 N ILE A 50 3.364 -1.823 -18.178 1.00 0.00 N ATOM 741 CA ILE A 50 3.326 -1.671 -19.616 1.00 0.00 C ATOM 742 C ILE A 50 4.647 -2.098 -20.212 1.00 0.00 C ATOM 743 O ILE A 50 5.710 -1.571 -19.863 1.00 0.00 O ATOM 744 CB ILE A 50 2.966 -0.225 -20.049 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.580 0.151 -19.515 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.004 -0.078 -21.568 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.468 -0.765 -19.995 1.00 0.00 C ATOM 0 H ILE A 50 3.332 -0.945 -17.659 1.00 0.00 H new ATOM 0 HA ILE A 50 2.534 -2.316 -19.996 1.00 0.00 H new ATOM 0 HB ILE A 50 3.709 0.452 -19.627 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.605 0.137 -18.425 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.351 1.173 -19.815 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.747 0.946 -21.841 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.005 -0.310 -21.931 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.287 -0.764 -22.018 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.482 -0.435 -19.575 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.414 -0.733 -21.083 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.672 -1.786 -19.672 1.00 0.00 H new ATOM 759 N LEU A 51 4.572 -3.060 -21.087 1.00 0.00 N ATOM 760 CA LEU A 51 5.733 -3.667 -21.659 1.00 0.00 C ATOM 761 C LEU A 51 5.732 -3.408 -23.153 1.00 0.00 C ATOM 762 O LEU A 51 4.805 -3.800 -23.860 1.00 0.00 O ATOM 763 CB LEU A 51 5.683 -5.174 -21.360 1.00 0.00 C ATOM 764 CG LEU A 51 6.944 -6.002 -21.612 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.817 -7.328 -20.902 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.181 -6.233 -23.095 1.00 0.00 C ATOM 0 H LEU A 51 3.691 -3.447 -21.425 1.00 0.00 H new ATOM 0 HA LEU A 51 6.647 -3.251 -21.236 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.408 -5.297 -20.313 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.877 -5.605 -21.954 1.00 0.00 H new ATOM 0 HG LEU A 51 7.798 -5.447 -21.225 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.713 -7.922 -21.078 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.699 -7.158 -19.832 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.947 -7.863 -21.282 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.086 -6.825 -23.231 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.331 -6.767 -23.520 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.296 -5.273 -23.599 1.00 0.00 H new ATOM 778 N LEU A 52 6.764 -2.755 -23.628 1.00 0.00 N ATOM 779 CA LEU A 52 6.871 -2.431 -25.033 1.00 0.00 C ATOM 780 C LEU A 52 7.835 -3.379 -25.718 1.00 0.00 C ATOM 781 O LEU A 52 8.848 -3.772 -25.136 1.00 0.00 O ATOM 782 CB LEU A 52 7.294 -0.965 -25.255 1.00 0.00 C ATOM 783 CG LEU A 52 6.305 0.141 -24.815 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.935 -0.054 -25.449 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.202 0.243 -23.298 1.00 0.00 C ATOM 0 H LEU A 52 7.548 -2.435 -23.059 1.00 0.00 H new ATOM 0 HA LEU A 52 5.883 -2.551 -25.477 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.235 -0.803 -24.728 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.497 -0.831 -26.318 1.00 0.00 H new ATOM 0 HG LEU A 52 6.706 1.088 -25.175 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.265 0.740 -25.119 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.029 -0.022 -26.535 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.529 -1.020 -25.148 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.497 1.031 -23.033 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.853 -0.707 -22.892 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.182 0.477 -22.882 1.00 0.00 H new ATOM 797 N GLU A 53 7.512 -3.734 -26.945 1.00 0.00 N ATOM 798 CA GLU A 53 8.263 -4.714 -27.718 1.00 0.00 C ATOM 799 C GLU A 53 9.666 -4.203 -28.039 1.00 0.00 C ATOM 800 O GLU A 53 10.640 -4.951 -27.984 1.00 0.00 O ATOM 801 CB GLU A 53 7.485 -5.042 -28.995 1.00 0.00 C ATOM 802 CG GLU A 53 6.186 -5.776 -28.708 1.00 0.00 C ATOM 803 CD GLU A 53 5.320 -5.989 -29.922 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.535 -5.075 -30.251 1.00 0.00 O ATOM 805 OE2 GLU A 53 5.389 -7.062 -30.542 1.00 0.00 O ATOM 0 H GLU A 53 6.711 -3.347 -27.444 1.00 0.00 H new ATOM 0 HA GLU A 53 8.384 -5.623 -27.129 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.267 -4.119 -29.532 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.107 -5.652 -29.650 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.418 -6.745 -28.266 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.620 -5.214 -27.965 1.00 0.00 H new ATOM 812 N ASN A 54 9.763 -2.926 -28.377 1.00 0.00 N ATOM 813 CA ASN A 54 11.064 -2.302 -28.631 1.00 0.00 C ATOM 814 C ASN A 54 11.887 -2.161 -27.358 1.00 0.00 C ATOM 815 O ASN A 54 13.116 -2.190 -27.399 1.00 0.00 O ATOM 816 CB ASN A 54 10.937 -0.950 -29.340 1.00 0.00 C ATOM 817 CG ASN A 54 10.674 -1.082 -30.826 1.00 0.00 C ATOM 818 OD1 ASN A 54 10.054 -2.043 -31.283 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.162 -0.137 -31.592 1.00 0.00 N ATOM 0 H ASN A 54 8.965 -2.300 -28.483 1.00 0.00 H new ATOM 0 HA ASN A 54 11.593 -2.977 -29.303 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.127 -0.381 -28.883 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.853 -0.379 -29.188 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.033 -0.183 -32.603 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.670 0.644 -31.177 1.00 0.00 H new ATOM 826 N GLN A 55 11.198 -2.005 -26.227 1.00 0.00 N ATOM 827 CA GLN A 55 11.857 -1.831 -24.927 1.00 0.00 C ATOM 828 C GLN A 55 12.480 -3.110 -24.398 1.00 0.00 C ATOM 829 O GLN A 55 13.192 -3.090 -23.385 1.00 0.00 O ATOM 830 CB GLN A 55 10.949 -1.180 -23.888 1.00 0.00 C ATOM 831 CG GLN A 55 10.667 0.288 -24.156 1.00 0.00 C ATOM 832 CD GLN A 55 9.755 0.913 -23.125 1.00 0.00 C ATOM 833 OE1 GLN A 55 9.662 0.445 -21.992 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.099 1.985 -23.495 1.00 0.00 N ATOM 0 H GLN A 55 10.179 -1.995 -26.183 1.00 0.00 H new ATOM 0 HA GLN A 55 12.678 -1.139 -25.113 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.004 -1.722 -23.854 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.408 -1.279 -22.904 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.610 0.835 -24.178 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.215 0.391 -25.143 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.202 2.344 -24.444 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.485 2.461 -22.834 1.00 0.00 H new ATOM 843 N LEU A 56 12.204 -4.222 -25.064 1.00 0.00 N ATOM 844 CA LEU A 56 12.866 -5.470 -24.740 1.00 0.00 C ATOM 845 C LEU A 56 14.335 -5.314 -25.057 1.00 0.00 C ATOM 846 O LEU A 56 14.691 -4.721 -26.080 1.00 0.00 O ATOM 847 CB LEU A 56 12.299 -6.615 -25.586 1.00 0.00 C ATOM 848 CG LEU A 56 10.839 -6.988 -25.344 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.385 -8.026 -26.360 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.664 -7.526 -23.940 1.00 0.00 C ATOM 0 H LEU A 56 11.530 -4.282 -25.827 1.00 0.00 H new ATOM 0 HA LEU A 56 12.710 -5.702 -23.686 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.413 -6.350 -26.637 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.910 -7.501 -25.413 1.00 0.00 H new ATOM 0 HG LEU A 56 10.227 -6.093 -25.458 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.342 -8.283 -26.176 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.486 -7.619 -27.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.001 -8.920 -26.267 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.619 -7.789 -23.779 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.285 -8.412 -23.810 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.962 -6.765 -23.219 1.00 0.00 H new ATOM 862 N PHE A 57 15.181 -5.811 -24.185 1.00 0.00 N ATOM 863 CA PHE A 57 16.605 -5.718 -24.396 1.00 0.00 C ATOM 864 C PHE A 57 16.983 -6.488 -25.650 1.00 0.00 C ATOM 865 O PHE A 57 16.532 -7.625 -25.846 1.00 0.00 O ATOM 866 CB PHE A 57 17.376 -6.164 -23.152 1.00 0.00 C ATOM 867 CG PHE A 57 17.202 -5.198 -22.002 1.00 0.00 C ATOM 868 CD1 PHE A 57 16.026 -5.169 -21.271 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.208 -4.308 -21.668 1.00 0.00 C ATOM 870 CE1 PHE A 57 15.850 -4.277 -20.236 1.00 0.00 C ATOM 871 CE2 PHE A 57 18.039 -3.414 -20.628 1.00 0.00 C ATOM 872 CZ PHE A 57 16.857 -3.399 -19.914 1.00 0.00 C ATOM 0 H PHE A 57 14.907 -6.283 -23.323 1.00 0.00 H new ATOM 0 HA PHE A 57 16.888 -4.678 -24.558 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.034 -7.154 -22.849 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.435 -6.253 -23.394 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.232 -5.859 -21.517 1.00 0.00 H new ATOM 0 HD2 PHE A 57 19.133 -4.312 -22.225 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.924 -4.268 -19.680 1.00 0.00 H new ATOM 0 HE2 PHE A 57 18.832 -2.726 -20.373 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.724 -2.698 -19.103 1.00 0.00 H new ATOM 882 N PRO A 58 17.822 -5.889 -26.502 1.00 0.00 N ATOM 883 CA PRO A 58 17.950 -6.295 -27.901 1.00 0.00 C ATOM 884 C PRO A 58 18.413 -7.720 -28.097 1.00 0.00 C ATOM 885 O PRO A 58 19.264 -8.229 -27.366 1.00 0.00 O ATOM 886 CB PRO A 58 18.969 -5.303 -28.476 1.00 0.00 C ATOM 887 CG PRO A 58 19.742 -4.846 -27.291 1.00 0.00 C ATOM 888 CD PRO A 58 18.747 -4.795 -26.167 1.00 0.00 C ATOM 0 HA PRO A 58 16.980 -6.274 -28.398 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.615 -5.779 -29.214 1.00 0.00 H new ATOM 0 HB3 PRO A 58 18.475 -4.469 -28.975 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.557 -5.533 -27.064 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.189 -3.867 -27.466 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.222 -4.949 -25.198 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.237 -3.833 -26.122 1.00 0.00 H new ATOM 896 N ASP A 59 17.847 -8.348 -29.099 1.00 0.00 N ATOM 897 CA ASP A 59 18.146 -9.718 -29.431 1.00 0.00 C ATOM 898 C ASP A 59 18.698 -9.778 -30.837 1.00 0.00 C ATOM 899 O ASP A 59 17.977 -9.523 -31.810 1.00 0.00 O ATOM 900 CB ASP A 59 16.888 -10.581 -29.315 1.00 0.00 C ATOM 901 CG ASP A 59 17.112 -11.993 -29.795 1.00 0.00 C ATOM 902 OD1 ASP A 59 17.789 -12.766 -29.080 1.00 0.00 O ATOM 903 OD2 ASP A 59 16.616 -12.334 -30.891 1.00 0.00 O ATOM 0 H ASP A 59 17.157 -7.916 -29.714 1.00 0.00 H new ATOM 0 HA ASP A 59 18.889 -10.106 -28.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.559 -10.601 -28.276 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.084 -10.127 -29.894 1.00 0.00 H new ATOM 908 N ASN A 60 19.962 -10.068 -30.951 1.00 0.00 N ATOM 909 CA ASN A 60 20.610 -10.087 -32.242 1.00 0.00 C ATOM 910 C ASN A 60 20.817 -11.503 -32.716 1.00 0.00 C ATOM 911 O ASN A 60 21.249 -12.372 -31.956 1.00 0.00 O ATOM 912 CB ASN A 60 21.943 -9.337 -32.203 1.00 0.00 C ATOM 913 CG ASN A 60 21.772 -7.874 -31.849 1.00 0.00 C ATOM 914 OD1 ASN A 60 21.467 -7.045 -32.704 1.00 0.00 O ATOM 915 ND2 ASN A 60 21.980 -7.545 -30.588 1.00 0.00 N ATOM 0 H ASN A 60 20.571 -10.296 -30.165 1.00 0.00 H new ATOM 0 HA ASN A 60 19.955 -9.577 -32.949 1.00 0.00 H new ATOM 0 HB2 ASN A 60 22.602 -9.810 -31.474 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.431 -9.418 -33.174 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.889 -6.573 -30.293 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.232 -8.263 -29.908 1.00 0.00 H new ATOM 922 N PHE A 61 20.492 -11.729 -33.960 1.00 0.00 N ATOM 923 CA PHE A 61 20.617 -13.024 -34.582 1.00 0.00 C ATOM 924 C PHE A 61 20.844 -12.817 -36.065 1.00 0.00 C ATOM 925 O PHE A 61 20.558 -11.733 -36.584 1.00 0.00 O ATOM 926 CB PHE A 61 19.354 -13.870 -34.320 1.00 0.00 C ATOM 927 CG PHE A 61 18.084 -13.302 -34.904 1.00 0.00 C ATOM 928 CD1 PHE A 61 17.338 -12.366 -34.207 1.00 0.00 C ATOM 929 CD2 PHE A 61 17.635 -13.713 -36.143 1.00 0.00 C ATOM 930 CE1 PHE A 61 16.171 -11.856 -34.738 1.00 0.00 C ATOM 931 CE2 PHE A 61 16.468 -13.208 -36.682 1.00 0.00 C ATOM 932 CZ PHE A 61 15.735 -12.275 -35.980 1.00 0.00 C ATOM 0 H PHE A 61 20.127 -11.008 -34.582 1.00 0.00 H new ATOM 0 HA PHE A 61 21.462 -13.568 -34.159 1.00 0.00 H new ATOM 0 HB2 PHE A 61 19.511 -14.869 -34.728 1.00 0.00 H new ATOM 0 HB3 PHE A 61 19.225 -13.982 -33.243 1.00 0.00 H new ATOM 0 HD1 PHE A 61 17.674 -12.031 -33.237 1.00 0.00 H new ATOM 0 HD2 PHE A 61 18.206 -14.441 -36.700 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.598 -11.129 -34.182 1.00 0.00 H new ATOM 0 HE2 PHE A 61 16.130 -13.543 -37.651 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.824 -11.874 -36.399 1.00 0.00 H new ATOM 942 N ALA A 62 21.362 -13.813 -36.742 1.00 0.00 N ATOM 943 CA ALA A 62 21.609 -13.695 -38.163 1.00 0.00 C ATOM 944 C ALA A 62 21.121 -14.936 -38.891 1.00 0.00 C ATOM 945 O ALA A 62 21.680 -16.027 -38.733 1.00 0.00 O ATOM 946 CB ALA A 62 23.087 -13.446 -38.427 1.00 0.00 C ATOM 0 H ALA A 62 21.621 -14.712 -36.336 1.00 0.00 H new ATOM 0 HA ALA A 62 21.051 -12.840 -38.546 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.255 -13.360 -39.500 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.394 -12.522 -37.936 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.672 -14.277 -38.034 1.00 0.00 H new ATOM 952 N LYS A 63 20.068 -14.764 -39.665 1.00 0.00 N ATOM 953 CA LYS A 63 19.453 -15.843 -40.406 1.00 0.00 C ATOM 954 C LYS A 63 18.664 -15.263 -41.565 1.00 0.00 C ATOM 955 O LYS A 63 18.697 -15.844 -42.668 1.00 0.00 O ATOM 956 CB LYS A 63 18.549 -16.694 -39.490 1.00 0.00 C ATOM 957 CG LYS A 63 17.343 -15.949 -38.928 1.00 0.00 C ATOM 958 CD LYS A 63 16.555 -16.799 -37.937 1.00 0.00 C ATOM 959 CE LYS A 63 15.834 -17.964 -38.600 1.00 0.00 C ATOM 960 NZ LYS A 63 14.721 -17.515 -39.463 1.00 0.00 N ATOM 961 OXT LYS A 63 18.045 -14.194 -41.378 1.00 0.00 O ATOM 0 H LYS A 63 19.612 -13.861 -39.797 1.00 0.00 H new ATOM 0 HA LYS A 63 20.229 -16.501 -40.796 1.00 0.00 H new ATOM 0 HB2 LYS A 63 18.197 -17.560 -40.050 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.146 -17.072 -38.660 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.678 -15.036 -38.436 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.689 -15.648 -39.747 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.234 -17.184 -37.176 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.826 -16.170 -37.426 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.545 -18.537 -39.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.448 -18.634 -37.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.166 -18.339 -39.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.109 -16.865 -38.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.104 -17.025 -40.296 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.135 -19.236 -22.533 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.178 -6.235 -15.401 1.00 0.00 ZN