USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 6:sc= -1.83 USER MOD Single : A 21 SER OG : rot 79:sc= 0.826 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 0:sc= -0.558 USER MOD Single : A 35 SER OG : rot 180:sc= -0.52 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.85! C(o=-2.9!,f=-10!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.7) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 80:sc= 1.33 USER MOD Single : A 57 SER OG : rot -53:sc= 0.456 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.987 F(o=-1.5,f=-0.99) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -92:sc= -0.494! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 51:sc= -6! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -83:sc= 0.727 USER MOD Single : A 101 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.201 1.109 -10.802 1.00 0.00 N ATOM 112 CA GLU A 11 8.988 1.835 -11.134 1.00 0.00 C ATOM 113 C GLU A 11 7.812 1.308 -10.309 1.00 0.00 C ATOM 114 O GLU A 11 6.921 2.070 -9.935 1.00 0.00 O ATOM 115 CB GLU A 11 8.689 1.749 -12.632 1.00 0.00 C ATOM 116 CG GLU A 11 8.109 0.380 -12.997 1.00 0.00 C ATOM 117 CD GLU A 11 8.492 -0.015 -14.424 1.00 0.00 C ATOM 118 OE1 GLU A 11 7.870 0.542 -15.354 1.00 0.00 O ATOM 119 OE2 GLU A 11 9.400 -0.866 -14.553 1.00 0.00 O ATOM 0 HA GLU A 11 9.138 2.886 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.985 2.533 -12.912 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.603 1.924 -13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.474 -0.372 -12.297 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.023 0.404 -12.901 1.00 0.00 H new ATOM 126 N LEU A 12 7.847 0.010 -10.048 1.00 0.00 N ATOM 127 CA LEU A 12 6.796 -0.627 -9.274 1.00 0.00 C ATOM 128 C LEU A 12 7.188 -0.633 -7.796 1.00 0.00 C ATOM 129 O LEU A 12 6.337 -0.467 -6.923 1.00 0.00 O ATOM 130 CB LEU A 12 6.486 -2.017 -9.834 1.00 0.00 C ATOM 131 CG LEU A 12 5.991 -2.063 -11.281 1.00 0.00 C ATOM 132 CD1 LEU A 12 5.378 -3.427 -11.608 1.00 0.00 C ATOM 133 CD2 LEU A 12 5.021 -0.915 -11.566 1.00 0.00 C ATOM 0 H LEU A 12 8.588 -0.618 -10.359 1.00 0.00 H new ATOM 0 HA LEU A 12 5.868 -0.061 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.387 -2.626 -9.760 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.733 -2.483 -9.199 1.00 0.00 H new ATOM 0 HG LEU A 12 6.849 -1.930 -11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.034 -3.433 -12.642 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.128 -4.206 -11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.534 -3.615 -10.944 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.685 -0.971 -12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.161 -0.991 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.525 0.037 -11.400 1.00 0.00 H new ATOM 145 N LEU A 13 8.478 -0.826 -7.561 1.00 0.00 N ATOM 146 CA LEU A 13 8.994 -0.855 -6.202 1.00 0.00 C ATOM 147 C LEU A 13 9.235 0.578 -5.721 1.00 0.00 C ATOM 148 O LEU A 13 9.561 1.456 -6.519 1.00 0.00 O ATOM 149 CB LEU A 13 10.233 -1.749 -6.119 1.00 0.00 C ATOM 150 CG LEU A 13 11.411 -1.190 -5.318 1.00 0.00 C ATOM 151 CD1 LEU A 13 11.119 -1.224 -3.817 1.00 0.00 C ATOM 152 CD2 LEU A 13 12.708 -1.922 -5.667 1.00 0.00 C ATOM 0 H LEU A 13 9.181 -0.964 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 13 8.263 -1.299 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.940 -2.702 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.575 -1.957 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 13 11.547 -0.145 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.972 -0.821 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.235 -0.622 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.941 -2.253 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.529 -1.505 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.601 -2.982 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.919 -1.801 -6.729 1.00 0.00 H new ATOM 164 N GLY A 14 9.067 0.768 -4.421 1.00 0.00 N ATOM 165 CA GLY A 14 9.263 2.078 -3.825 1.00 0.00 C ATOM 166 C GLY A 14 8.070 2.993 -4.110 1.00 0.00 C ATOM 167 O GLY A 14 8.070 4.160 -3.720 1.00 0.00 O ATOM 0 H GLY A 14 8.797 0.036 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.398 1.975 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.174 2.528 -4.219 1.00 0.00 H new ATOM 171 N LYS A 15 7.081 2.430 -4.789 1.00 0.00 N ATOM 172 CA LYS A 15 5.885 3.181 -5.131 1.00 0.00 C ATOM 173 C LYS A 15 4.666 2.500 -4.506 1.00 0.00 C ATOM 174 O LYS A 15 4.728 1.331 -4.128 1.00 0.00 O ATOM 175 CB LYS A 15 5.780 3.361 -6.647 1.00 0.00 C ATOM 176 CG LYS A 15 5.071 2.169 -7.292 1.00 0.00 C ATOM 177 CD LYS A 15 3.683 2.566 -7.799 1.00 0.00 C ATOM 178 CE LYS A 15 3.784 3.416 -9.067 1.00 0.00 C ATOM 179 NZ LYS A 15 2.701 4.423 -9.103 1.00 0.00 N ATOM 0 H LYS A 15 7.084 1.462 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 15 5.936 4.188 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.235 4.278 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.777 3.470 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.670 1.790 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.980 1.360 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.097 1.670 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.155 3.123 -7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.753 3.914 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.723 2.776 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.784 4.991 -9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.779 3.942 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.777 5.045 -8.273 1.00 0.00 H new ATOM 193 N VAL A 16 3.584 3.261 -4.417 1.00 0.00 N ATOM 194 CA VAL A 16 2.351 2.745 -3.845 1.00 0.00 C ATOM 195 C VAL A 16 1.701 1.777 -4.835 1.00 0.00 C ATOM 196 O VAL A 16 1.488 2.119 -5.997 1.00 0.00 O ATOM 197 CB VAL A 16 1.433 3.904 -3.452 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.034 3.398 -3.097 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.032 4.712 -2.299 1.00 0.00 C ATOM 0 H VAL A 16 3.536 4.230 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 16 2.557 2.186 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 16 1.342 4.566 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.599 4.242 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.397 2.887 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.100 2.704 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.359 5.530 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.167 4.065 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.997 5.118 -2.602 1.00 0.00 H new ATOM 209 N VAL A 17 1.404 0.584 -4.338 1.00 0.00 N ATOM 210 CA VAL A 17 0.782 -0.436 -5.164 1.00 0.00 C ATOM 211 C VAL A 17 -0.470 -0.964 -4.459 1.00 0.00 C ATOM 212 O VAL A 17 -0.596 -0.847 -3.241 1.00 0.00 O ATOM 213 CB VAL A 17 1.795 -1.536 -5.488 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.895 -1.013 -6.414 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.390 -2.127 -4.208 1.00 0.00 C ATOM 0 H VAL A 17 1.583 0.302 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 17 0.464 -0.014 -6.118 1.00 0.00 H new ATOM 0 HB VAL A 17 1.268 -2.334 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.602 -1.815 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.450 -0.662 -7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.418 -0.189 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.107 -2.907 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.895 -1.342 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.593 -2.554 -3.600 1.00 0.00 H new ATOM 225 N SER A 18 -1.362 -1.534 -5.255 1.00 0.00 N ATOM 226 CA SER A 18 -2.599 -2.080 -4.722 1.00 0.00 C ATOM 227 C SER A 18 -2.474 -3.596 -4.561 1.00 0.00 C ATOM 228 O SER A 18 -2.144 -4.300 -5.513 1.00 0.00 O ATOM 229 CB SER A 18 -3.786 -1.739 -5.625 1.00 0.00 C ATOM 230 OG SER A 18 -3.526 -2.051 -6.991 1.00 0.00 O ATOM 0 H SER A 18 -1.253 -1.630 -6.265 1.00 0.00 H new ATOM 0 HA SER A 18 -2.779 -1.630 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.666 -2.288 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.018 -0.678 -5.533 1.00 0.00 H new ATOM 0 HG SER A 18 -2.667 -2.517 -7.062 1.00 0.00 H new ATOM 236 N VAL A 19 -2.747 -4.054 -3.348 1.00 0.00 N ATOM 237 CA VAL A 19 -2.669 -5.475 -3.049 1.00 0.00 C ATOM 238 C VAL A 19 -4.065 -6.090 -3.154 1.00 0.00 C ATOM 239 O VAL A 19 -5.029 -5.549 -2.612 1.00 0.00 O ATOM 240 CB VAL A 19 -2.022 -5.686 -1.678 1.00 0.00 C ATOM 241 CG1 VAL A 19 -2.390 -7.056 -1.105 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.505 -5.513 -1.754 1.00 0.00 C ATOM 0 H VAL A 19 -3.022 -3.467 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.035 -5.985 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.411 -4.924 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.918 -7.182 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.472 -7.126 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.042 -7.838 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.071 -5.668 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.090 -6.241 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.270 -4.506 -2.099 1.00 0.00 H new ATOM 252 N VAL A 20 -4.131 -7.213 -3.854 1.00 0.00 N ATOM 253 CA VAL A 20 -5.394 -7.908 -4.036 1.00 0.00 C ATOM 254 C VAL A 20 -5.515 -9.020 -2.993 1.00 0.00 C ATOM 255 O VAL A 20 -4.599 -9.824 -2.829 1.00 0.00 O ATOM 256 CB VAL A 20 -5.506 -8.422 -5.473 1.00 0.00 C ATOM 257 CG1 VAL A 20 -6.905 -8.975 -5.751 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.139 -7.328 -6.477 1.00 0.00 C ATOM 0 H VAL A 20 -3.330 -7.659 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.230 -7.226 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.794 -9.239 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.957 -9.333 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.113 -9.799 -5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.644 -8.187 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.227 -7.720 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.814 -6.481 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.114 -7.002 -6.302 1.00 0.00 H new ATOM 268 N SER A 21 -6.653 -9.029 -2.314 1.00 0.00 N ATOM 269 CA SER A 21 -6.905 -10.030 -1.290 1.00 0.00 C ATOM 270 C SER A 21 -7.184 -11.386 -1.942 1.00 0.00 C ATOM 271 O SER A 21 -8.087 -11.506 -2.768 1.00 0.00 O ATOM 272 CB SER A 21 -8.076 -9.618 -0.396 1.00 0.00 C ATOM 273 OG SER A 21 -8.305 -8.212 -0.428 1.00 0.00 O ATOM 0 H SER A 21 -7.410 -8.360 -2.452 1.00 0.00 H new ATOM 0 HA SER A 21 -6.017 -10.112 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.978 -10.139 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.876 -9.929 0.629 1.00 0.00 H new ATOM 0 HG SER A 21 -8.793 -7.979 -1.245 1.00 0.00 H new ATOM 279 N ALA A 22 -6.394 -12.371 -1.543 1.00 0.00 N ATOM 280 CA ALA A 22 -6.545 -13.713 -2.078 1.00 0.00 C ATOM 281 C ALA A 22 -7.986 -14.183 -1.867 1.00 0.00 C ATOM 282 O ALA A 22 -8.641 -14.629 -2.808 1.00 0.00 O ATOM 283 CB ALA A 22 -5.527 -14.644 -1.416 1.00 0.00 C ATOM 0 H ALA A 22 -5.648 -12.267 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.348 -13.722 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.640 -15.651 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.519 -14.284 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.696 -14.661 -0.339 1.00 0.00 H new ATOM 289 N THR A 23 -8.437 -14.065 -0.627 1.00 0.00 N ATOM 290 CA THR A 23 -9.789 -14.472 -0.281 1.00 0.00 C ATOM 291 C THR A 23 -10.799 -13.428 -0.761 1.00 0.00 C ATOM 292 O THR A 23 -12.001 -13.683 -0.776 1.00 0.00 O ATOM 293 CB THR A 23 -9.837 -14.716 1.229 1.00 0.00 C ATOM 294 OG1 THR A 23 -8.972 -15.830 1.428 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.205 -15.217 1.697 1.00 0.00 C ATOM 0 H THR A 23 -7.891 -13.694 0.150 1.00 0.00 H new ATOM 0 HA THR A 23 -10.064 -15.399 -0.783 1.00 0.00 H new ATOM 0 HB THR A 23 -9.589 -13.794 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.943 -16.055 2.381 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.185 -15.374 2.775 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.967 -14.477 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.439 -16.157 1.197 1.00 0.00 H new ATOM 303 N GLU A 24 -10.272 -12.273 -1.141 1.00 0.00 N ATOM 304 CA GLU A 24 -11.113 -11.189 -1.620 1.00 0.00 C ATOM 305 C GLU A 24 -10.488 -10.538 -2.855 1.00 0.00 C ATOM 306 O GLU A 24 -9.657 -9.639 -2.734 1.00 0.00 O ATOM 307 CB GLU A 24 -11.355 -10.155 -0.518 1.00 0.00 C ATOM 308 CG GLU A 24 -12.849 -10.009 -0.222 1.00 0.00 C ATOM 309 CD GLU A 24 -13.133 -10.200 1.269 1.00 0.00 C ATOM 310 OE1 GLU A 24 -13.275 -11.375 1.673 1.00 0.00 O ATOM 311 OE2 GLU A 24 -13.203 -9.169 1.971 1.00 0.00 O ATOM 0 H GLU A 24 -9.274 -12.064 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.081 -11.604 -1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.829 -10.454 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.945 -9.192 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.191 -9.024 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.411 -10.742 -0.800 1.00 0.00 H new ATOM 318 N ARG A 25 -10.910 -11.017 -4.016 1.00 0.00 N ATOM 319 CA ARG A 25 -10.402 -10.493 -5.272 1.00 0.00 C ATOM 320 C ARG A 25 -10.849 -9.043 -5.461 1.00 0.00 C ATOM 321 O ARG A 25 -10.361 -8.351 -6.354 1.00 0.00 O ATOM 322 CB ARG A 25 -10.891 -11.330 -6.456 1.00 0.00 C ATOM 323 CG ARG A 25 -10.137 -12.659 -6.538 1.00 0.00 C ATOM 324 CD ARG A 25 -9.104 -12.635 -7.666 1.00 0.00 C ATOM 325 NE ARG A 25 -7.743 -12.804 -7.111 1.00 0.00 N ATOM 326 CZ ARG A 25 -6.681 -13.198 -7.828 1.00 0.00 C ATOM 327 NH1 ARG A 25 -6.818 -13.464 -9.134 1.00 0.00 N ATOM 328 NH2 ARG A 25 -5.485 -13.324 -7.240 1.00 0.00 N ATOM 0 H ARG A 25 -11.599 -11.763 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.314 -10.539 -5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.960 -11.520 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.753 -10.772 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.640 -12.858 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.843 -13.472 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.315 -13.431 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.169 -11.693 -8.210 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.604 -12.608 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.729 -13.367 -9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.011 -13.764 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.381 -13.120 -6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.677 -13.624 -7.786 1.00 0.00 H new ATOM 342 N THR A 26 -11.772 -8.625 -4.608 1.00 0.00 N ATOM 343 CA THR A 26 -12.291 -7.269 -4.671 1.00 0.00 C ATOM 344 C THR A 26 -11.483 -6.346 -3.756 1.00 0.00 C ATOM 345 O THR A 26 -10.726 -5.503 -4.232 1.00 0.00 O ATOM 346 CB THR A 26 -13.781 -7.317 -4.325 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.417 -7.600 -5.569 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.333 -5.946 -3.928 1.00 0.00 C ATOM 0 H THR A 26 -12.174 -9.202 -3.869 1.00 0.00 H new ATOM 0 HA THR A 26 -12.189 -6.852 -5.673 1.00 0.00 H new ATOM 0 HB THR A 26 -13.943 -8.024 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.387 -7.651 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.393 -6.035 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.797 -5.577 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.202 -5.248 -4.755 1.00 0.00 H new ATOM 356 N GLU A 27 -11.672 -6.539 -2.459 1.00 0.00 N ATOM 357 CA GLU A 27 -10.971 -5.735 -1.473 1.00 0.00 C ATOM 358 C GLU A 27 -9.487 -5.633 -1.830 1.00 0.00 C ATOM 359 O GLU A 27 -8.849 -6.638 -2.136 1.00 0.00 O ATOM 360 CB GLU A 27 -11.159 -6.306 -0.066 1.00 0.00 C ATOM 361 CG GLU A 27 -12.326 -5.623 0.652 1.00 0.00 C ATOM 362 CD GLU A 27 -11.995 -4.164 0.971 1.00 0.00 C ATOM 363 OE1 GLU A 27 -11.224 -3.954 1.932 1.00 0.00 O ATOM 364 OE2 GLU A 27 -12.522 -3.291 0.247 1.00 0.00 O ATOM 0 H GLU A 27 -12.301 -7.241 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.396 -4.732 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.342 -7.379 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.244 -6.171 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.219 -5.669 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.554 -6.158 1.574 1.00 0.00 H new ATOM 371 N TRP A 28 -8.981 -4.410 -1.777 1.00 0.00 N ATOM 372 CA TRP A 28 -7.583 -4.164 -2.090 1.00 0.00 C ATOM 373 C TRP A 28 -7.080 -3.054 -1.165 1.00 0.00 C ATOM 374 O TRP A 28 -7.828 -2.141 -0.820 1.00 0.00 O ATOM 375 CB TRP A 28 -7.405 -3.832 -3.574 1.00 0.00 C ATOM 376 CG TRP A 28 -7.852 -2.419 -3.953 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.034 -2.034 -4.454 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.070 -1.211 -3.842 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.071 -0.672 -4.673 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.839 -0.156 -4.289 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.757 -1.016 -3.378 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.382 1.168 -4.317 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.316 0.312 -3.413 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.076 1.386 -3.860 1.00 0.00 C ATOM 0 H TRP A 28 -9.514 -3.578 -1.522 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.985 -5.059 -1.917 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.355 -3.953 -3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.969 -4.552 -4.167 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.854 -2.705 -4.660 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.858 -0.142 -5.048 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.138 -1.827 -3.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.003 1.977 -4.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.313 0.517 -3.068 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.662 2.383 -3.855 1.00 0.00 H new ATOM 395 N TYR A 29 -5.815 -3.170 -0.788 1.00 0.00 N ATOM 396 CA TYR A 29 -5.202 -2.189 0.091 1.00 0.00 C ATOM 397 C TYR A 29 -3.857 -1.718 -0.466 1.00 0.00 C ATOM 398 O TYR A 29 -3.154 -2.481 -1.128 1.00 0.00 O ATOM 399 CB TYR A 29 -4.968 -2.903 1.423 1.00 0.00 C ATOM 400 CG TYR A 29 -3.547 -3.445 1.596 1.00 0.00 C ATOM 401 CD1 TYR A 29 -3.240 -4.724 1.179 1.00 0.00 C ATOM 402 CD2 TYR A 29 -2.574 -2.654 2.172 1.00 0.00 C ATOM 403 CE1 TYR A 29 -1.903 -5.234 1.342 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.236 -3.164 2.336 1.00 0.00 C ATOM 405 CZ TYR A 29 -0.967 -4.428 1.914 1.00 0.00 C ATOM 406 OH TYR A 29 0.295 -4.909 2.068 1.00 0.00 O ATOM 0 H TYR A 29 -5.198 -3.929 -1.076 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.843 -1.313 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.184 -2.211 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.674 -3.729 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.003 -5.343 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.815 -1.654 2.500 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.649 -6.232 1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.464 -2.556 2.784 1.00 0.00 H new ATOM 0 HH TYR A 29 0.341 -5.824 1.721 1.00 0.00 H new ATOM 416 N PRO A 30 -3.530 -0.432 -0.170 1.00 0.00 N ATOM 417 CA PRO A 30 -2.282 0.149 -0.634 1.00 0.00 C ATOM 418 C PRO A 30 -1.098 -0.376 0.181 1.00 0.00 C ATOM 419 O PRO A 30 -1.228 -0.633 1.377 1.00 0.00 O ATOM 420 CB PRO A 30 -2.475 1.651 -0.503 1.00 0.00 C ATOM 421 CG PRO A 30 -3.637 1.840 0.459 1.00 0.00 C ATOM 422 CD PRO A 30 -4.338 0.500 0.611 1.00 0.00 C ATOM 0 HA PRO A 30 -2.049 -0.120 -1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.572 2.129 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.692 2.103 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.279 2.195 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.329 2.592 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.391 0.198 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.362 0.544 0.239 1.00 0.00 H new ATOM 430 N ALA A 31 0.030 -0.517 -0.499 1.00 0.00 N ATOM 431 CA ALA A 31 1.237 -1.006 0.147 1.00 0.00 C ATOM 432 C ALA A 31 2.457 -0.580 -0.673 1.00 0.00 C ATOM 433 O ALA A 31 2.456 -0.689 -1.897 1.00 0.00 O ATOM 434 CB ALA A 31 1.148 -2.524 0.314 1.00 0.00 C ATOM 0 H ALA A 31 0.134 -0.301 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 31 1.341 -0.574 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.053 -2.890 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.282 -2.772 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.045 -2.992 -0.665 1.00 0.00 H new ATOM 440 N LEU A 32 3.469 -0.105 0.037 1.00 0.00 N ATOM 441 CA LEU A 32 4.693 0.338 -0.609 1.00 0.00 C ATOM 442 C LEU A 32 5.675 -0.833 -0.689 1.00 0.00 C ATOM 443 O LEU A 32 6.215 -1.266 0.328 1.00 0.00 O ATOM 444 CB LEU A 32 5.261 1.568 0.102 1.00 0.00 C ATOM 445 CG LEU A 32 6.385 2.306 -0.628 1.00 0.00 C ATOM 446 CD1 LEU A 32 5.986 2.624 -2.070 1.00 0.00 C ATOM 447 CD2 LEU A 32 6.805 3.561 0.140 1.00 0.00 C ATOM 0 H LEU A 32 3.467 -0.017 1.053 1.00 0.00 H new ATOM 0 HA LEU A 32 4.489 0.656 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.446 2.270 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.631 1.259 1.080 1.00 0.00 H new ATOM 0 HG LEU A 32 7.253 1.649 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.803 3.149 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.774 1.696 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.096 3.254 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.605 4.067 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.951 4.232 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.158 3.279 1.132 1.00 0.00 H new ATOM 459 N VAL A 33 5.877 -1.311 -1.908 1.00 0.00 N ATOM 460 CA VAL A 33 6.784 -2.424 -2.134 1.00 0.00 C ATOM 461 C VAL A 33 8.178 -2.052 -1.623 1.00 0.00 C ATOM 462 O VAL A 33 8.640 -0.932 -1.830 1.00 0.00 O ATOM 463 CB VAL A 33 6.775 -2.815 -3.613 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.939 -3.752 -3.940 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.437 -3.445 -4.006 1.00 0.00 C ATOM 0 H VAL A 33 5.429 -0.948 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 33 6.457 -3.302 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 33 6.902 -1.905 -4.200 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.909 -4.014 -4.998 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.882 -3.253 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.857 -4.658 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.458 -3.714 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.266 -4.340 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.633 -2.731 -3.829 1.00 0.00 H new ATOM 475 N ILE A 34 8.808 -3.015 -0.965 1.00 0.00 N ATOM 476 CA ILE A 34 10.139 -2.801 -0.422 1.00 0.00 C ATOM 477 C ILE A 34 10.916 -4.119 -0.458 1.00 0.00 C ATOM 478 O ILE A 34 10.440 -5.110 -1.010 1.00 0.00 O ATOM 479 CB ILE A 34 10.057 -2.175 0.971 1.00 0.00 C ATOM 480 CG1 ILE A 34 9.047 -2.919 1.848 1.00 0.00 C ATOM 481 CG2 ILE A 34 9.745 -0.679 0.882 1.00 0.00 C ATOM 482 CD1 ILE A 34 9.228 -2.553 3.323 1.00 0.00 C ATOM 0 H ILE A 34 8.422 -3.944 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 34 10.689 -2.087 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 34 11.032 -2.274 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.034 -2.674 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.170 -3.994 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.692 -0.258 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.531 -0.176 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.789 -0.536 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.498 -3.095 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.234 -2.822 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.080 -1.481 3.453 1.00 0.00 H new ATOM 494 N SER A 35 12.099 -4.088 0.137 1.00 0.00 N ATOM 495 CA SER A 35 12.946 -5.268 0.180 1.00 0.00 C ATOM 496 C SER A 35 13.401 -5.533 1.617 1.00 0.00 C ATOM 497 O SER A 35 13.605 -4.599 2.391 1.00 0.00 O ATOM 498 CB SER A 35 14.158 -5.108 -0.739 1.00 0.00 C ATOM 499 OG SER A 35 15.155 -6.094 -0.483 1.00 0.00 O ATOM 0 H SER A 35 12.491 -3.264 0.593 1.00 0.00 H new ATOM 0 HA SER A 35 12.365 -6.120 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.837 -5.178 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.587 -4.115 -0.604 1.00 0.00 H new ATOM 0 HG SER A 35 15.912 -5.959 -1.091 1.00 0.00 H new ATOM 505 N PRO A 36 13.550 -6.846 1.938 1.00 0.00 N ATOM 506 CA PRO A 36 13.976 -7.247 3.269 1.00 0.00 C ATOM 507 C PRO A 36 15.473 -6.993 3.464 1.00 0.00 C ATOM 508 O PRO A 36 16.301 -7.819 3.083 1.00 0.00 O ATOM 509 CB PRO A 36 13.605 -8.717 3.376 1.00 0.00 C ATOM 510 CG PRO A 36 13.410 -9.202 1.948 1.00 0.00 C ATOM 511 CD PRO A 36 13.317 -7.980 1.049 1.00 0.00 C ATOM 0 HA PRO A 36 13.492 -6.670 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.391 -9.283 3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.695 -8.849 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.242 -9.837 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.504 -9.803 1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.060 -8.017 0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.340 -7.914 0.571 1.00 0.00 H new ATOM 519 N SER A 37 15.774 -5.847 4.057 1.00 0.00 N ATOM 520 CA SER A 37 17.156 -5.475 4.308 1.00 0.00 C ATOM 521 C SER A 37 17.502 -5.709 5.780 1.00 0.00 C ATOM 522 O SER A 37 18.402 -6.486 6.094 1.00 0.00 O ATOM 523 CB SER A 37 17.410 -4.015 3.928 1.00 0.00 C ATOM 524 OG SER A 37 18.741 -3.807 3.464 1.00 0.00 O ATOM 0 H SER A 37 15.085 -5.164 4.371 1.00 0.00 H new ATOM 0 HA SER A 37 17.797 -6.101 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 37 16.705 -3.714 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 37 17.224 -3.378 4.793 1.00 0.00 H new ATOM 0 HG SER A 37 18.862 -2.863 3.230 1.00 0.00 H new ATOM 530 N CYS A 38 16.770 -5.021 6.643 1.00 0.00 N ATOM 531 CA CYS A 38 16.988 -5.144 8.075 1.00 0.00 C ATOM 532 C CYS A 38 16.165 -6.329 8.586 1.00 0.00 C ATOM 533 O CYS A 38 16.706 -7.244 9.205 1.00 0.00 O ATOM 534 CB CYS A 38 16.644 -3.849 8.813 1.00 0.00 C ATOM 535 SG CYS A 38 17.997 -3.406 9.964 1.00 0.00 S ATOM 0 H CYS A 38 16.025 -4.376 6.379 1.00 0.00 H new ATOM 0 HA CYS A 38 18.045 -5.326 8.270 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.487 -3.043 8.096 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.712 -3.972 9.364 1.00 0.00 H new ATOM 0 HG CYS A 38 17.696 -2.304 10.584 1.00 0.00 H new ATOM 541 N ASN A 39 14.871 -6.271 8.309 1.00 0.00 N ATOM 542 CA ASN A 39 13.968 -7.328 8.733 1.00 0.00 C ATOM 543 C ASN A 39 14.441 -8.662 8.153 1.00 0.00 C ATOM 544 O ASN A 39 14.770 -8.746 6.971 1.00 0.00 O ATOM 545 CB ASN A 39 12.546 -7.072 8.232 1.00 0.00 C ATOM 546 CG ASN A 39 12.547 -6.700 6.747 1.00 0.00 C ATOM 547 OD1 ASN A 39 12.718 -7.533 5.872 1.00 0.00 O ATOM 548 ND2 ASN A 39 12.347 -5.406 6.514 1.00 0.00 N ATOM 0 H ASN A 39 14.426 -5.509 7.797 1.00 0.00 H new ATOM 0 HA ASN A 39 13.967 -7.353 9.823 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.936 -7.962 8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.091 -6.269 8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.330 -5.057 5.556 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.211 -4.763 7.294 1.00 0.00 H new ATOM 555 N ASP A 40 14.460 -9.671 9.011 1.00 0.00 N ATOM 556 CA ASP A 40 14.888 -10.996 8.598 1.00 0.00 C ATOM 557 C ASP A 40 13.839 -12.024 9.028 1.00 0.00 C ATOM 558 O ASP A 40 13.392 -12.836 8.220 1.00 0.00 O ATOM 559 CB ASP A 40 16.217 -11.376 9.254 1.00 0.00 C ATOM 560 CG ASP A 40 17.339 -11.738 8.279 1.00 0.00 C ATOM 561 OD1 ASP A 40 17.263 -12.850 7.714 1.00 0.00 O ATOM 562 OD2 ASP A 40 18.248 -10.894 8.121 1.00 0.00 O ATOM 0 H ASP A 40 14.186 -9.597 9.991 1.00 0.00 H new ATOM 0 HA ASP A 40 15.010 -10.988 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.550 -10.544 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.047 -12.222 9.920 1.00 0.00 H new ATOM 567 N ASP A 41 13.475 -11.954 10.300 1.00 0.00 N ATOM 568 CA ASP A 41 12.486 -12.867 10.848 1.00 0.00 C ATOM 569 C ASP A 41 11.323 -13.002 9.863 1.00 0.00 C ATOM 570 O ASP A 41 10.917 -14.113 9.525 1.00 0.00 O ATOM 571 CB ASP A 41 11.927 -12.344 12.172 1.00 0.00 C ATOM 572 CG ASP A 41 12.717 -12.758 13.415 1.00 0.00 C ATOM 573 OD1 ASP A 41 13.963 -12.753 13.324 1.00 0.00 O ATOM 574 OD2 ASP A 41 12.055 -13.069 14.431 1.00 0.00 O ATOM 0 H ASP A 41 13.848 -11.279 10.967 1.00 0.00 H new ATOM 0 HA ASP A 41 12.971 -13.828 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.890 -11.255 12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.900 -12.694 12.279 1.00 0.00 H new ATOM 579 N ILE A 42 10.819 -11.856 9.430 1.00 0.00 N ATOM 580 CA ILE A 42 9.711 -11.831 8.491 1.00 0.00 C ATOM 581 C ILE A 42 10.195 -12.320 7.124 1.00 0.00 C ATOM 582 O ILE A 42 10.163 -11.573 6.148 1.00 0.00 O ATOM 583 CB ILE A 42 9.069 -10.444 8.456 1.00 0.00 C ATOM 584 CG1 ILE A 42 8.423 -10.104 9.801 1.00 0.00 C ATOM 585 CG2 ILE A 42 8.075 -10.329 7.298 1.00 0.00 C ATOM 586 CD1 ILE A 42 9.033 -8.834 10.397 1.00 0.00 C ATOM 0 H ILE A 42 11.158 -10.937 9.713 1.00 0.00 H new ATOM 0 HA ILE A 42 8.924 -12.513 8.813 1.00 0.00 H new ATOM 0 HB ILE A 42 9.854 -9.709 8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.350 -9.969 9.669 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.557 -10.935 10.493 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.633 -9.333 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.594 -10.497 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.289 -11.075 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.556 -8.615 11.352 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.102 -8.981 10.550 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.876 -8.000 9.713 1.00 0.00 H new ATOM 598 N THR A 43 10.632 -13.570 7.100 1.00 0.00 N ATOM 599 CA THR A 43 11.123 -14.168 5.869 1.00 0.00 C ATOM 600 C THR A 43 10.095 -14.001 4.749 1.00 0.00 C ATOM 601 O THR A 43 8.891 -14.075 4.990 1.00 0.00 O ATOM 602 CB THR A 43 11.474 -15.628 6.159 1.00 0.00 C ATOM 603 OG1 THR A 43 12.212 -16.043 5.013 1.00 0.00 O ATOM 604 CG2 THR A 43 10.242 -16.537 6.158 1.00 0.00 C ATOM 0 H THR A 43 10.657 -14.186 7.913 1.00 0.00 H new ATOM 0 HA THR A 43 12.025 -13.666 5.518 1.00 0.00 H new ATOM 0 HB THR A 43 11.975 -15.696 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.481 -16.979 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.546 -17.562 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.542 -16.202 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.760 -16.495 5.181 1.00 0.00 H new ATOM 612 N VAL A 44 10.607 -13.777 3.548 1.00 0.00 N ATOM 613 CA VAL A 44 9.748 -13.599 2.389 1.00 0.00 C ATOM 614 C VAL A 44 9.946 -14.772 1.426 1.00 0.00 C ATOM 615 O VAL A 44 11.078 -15.126 1.099 1.00 0.00 O ATOM 616 CB VAL A 44 10.021 -12.240 1.739 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.175 -12.056 0.478 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.782 -11.100 2.732 1.00 0.00 C ATOM 0 H VAL A 44 11.606 -13.715 3.352 1.00 0.00 H new ATOM 0 HA VAL A 44 8.700 -13.598 2.688 1.00 0.00 H new ATOM 0 HB VAL A 44 11.070 -12.213 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.388 -11.083 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.415 -12.841 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.118 -12.113 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.983 -10.146 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.746 -11.124 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.446 -11.218 3.588 1.00 0.00 H new ATOM 628 N LYS A 45 8.829 -15.342 1.001 1.00 0.00 N ATOM 629 CA LYS A 45 8.865 -16.467 0.083 1.00 0.00 C ATOM 630 C LYS A 45 9.448 -16.009 -1.256 1.00 0.00 C ATOM 631 O LYS A 45 9.886 -14.868 -1.387 1.00 0.00 O ATOM 632 CB LYS A 45 7.481 -17.107 -0.035 1.00 0.00 C ATOM 633 CG LYS A 45 7.044 -17.719 1.297 1.00 0.00 C ATOM 634 CD LYS A 45 8.064 -18.749 1.788 1.00 0.00 C ATOM 635 CE LYS A 45 7.366 -19.937 2.453 1.00 0.00 C ATOM 636 NZ LYS A 45 6.981 -20.946 1.440 1.00 0.00 N ATOM 0 H LYS A 45 7.892 -15.046 1.276 1.00 0.00 H new ATOM 0 HA LYS A 45 9.520 -17.250 0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.755 -16.357 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.498 -17.878 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.929 -16.932 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.070 -18.194 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.666 -19.099 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.747 -18.281 2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.028 -20.389 3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.480 -19.593 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.509 -21.745 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.332 -20.516 0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.832 -21.287 0.948 1.00 0.00 H new ATOM 650 N LYS A 46 9.435 -16.924 -2.214 1.00 0.00 N ATOM 651 CA LYS A 46 9.957 -16.628 -3.538 1.00 0.00 C ATOM 652 C LYS A 46 8.874 -15.928 -4.362 1.00 0.00 C ATOM 653 O LYS A 46 9.170 -15.013 -5.130 1.00 0.00 O ATOM 654 CB LYS A 46 10.504 -17.898 -4.194 1.00 0.00 C ATOM 655 CG LYS A 46 10.749 -17.681 -5.688 1.00 0.00 C ATOM 656 CD LYS A 46 11.904 -16.704 -5.919 1.00 0.00 C ATOM 657 CE LYS A 46 13.139 -17.431 -6.451 1.00 0.00 C ATOM 658 NZ LYS A 46 14.088 -16.468 -7.053 1.00 0.00 N ATOM 0 H LYS A 46 9.072 -17.870 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 46 10.802 -15.942 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.435 -18.191 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.799 -18.717 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.974 -18.635 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.843 -17.296 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.598 -15.934 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.150 -16.198 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.627 -17.973 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.841 -18.170 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.921 -16.978 -7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.625 -15.970 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.386 -15.778 -6.334 1.00 0.00 H new ATOM 672 N ASP A 47 7.645 -16.384 -4.176 1.00 0.00 N ATOM 673 CA ASP A 47 6.518 -15.811 -4.893 1.00 0.00 C ATOM 674 C ASP A 47 5.864 -14.732 -4.029 1.00 0.00 C ATOM 675 O ASP A 47 4.680 -14.438 -4.187 1.00 0.00 O ATOM 676 CB ASP A 47 5.462 -16.876 -5.199 1.00 0.00 C ATOM 677 CG ASP A 47 5.063 -16.987 -6.672 1.00 0.00 C ATOM 678 OD1 ASP A 47 4.128 -16.255 -7.063 1.00 0.00 O ATOM 679 OD2 ASP A 47 5.702 -17.800 -7.374 1.00 0.00 O ATOM 0 H ASP A 47 7.404 -17.144 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 47 6.891 -15.392 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.837 -17.844 -4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.569 -16.660 -4.612 1.00 0.00 H new ATOM 684 N GLN A 48 6.664 -14.169 -3.135 1.00 0.00 N ATOM 685 CA GLN A 48 6.177 -13.128 -2.246 1.00 0.00 C ATOM 686 C GLN A 48 7.179 -11.973 -2.184 1.00 0.00 C ATOM 687 O GLN A 48 8.329 -12.120 -2.594 1.00 0.00 O ATOM 688 CB GLN A 48 5.897 -13.687 -0.850 1.00 0.00 C ATOM 689 CG GLN A 48 4.571 -14.448 -0.819 1.00 0.00 C ATOM 690 CD GLN A 48 4.236 -14.911 0.601 1.00 0.00 C ATOM 691 OE1 GLN A 48 4.794 -14.445 1.581 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.298 -15.851 0.656 1.00 0.00 N ATOM 0 H GLN A 48 7.646 -14.414 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 48 5.237 -12.747 -2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.708 -14.351 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.869 -12.872 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.772 -13.809 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.627 -15.311 -1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.872 -16.197 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.005 -16.226 1.558 1.00 0.00 H new ATOM 701 N CYS A 49 6.705 -10.849 -1.666 1.00 0.00 N ATOM 702 CA CYS A 49 7.544 -9.668 -1.546 1.00 0.00 C ATOM 703 C CYS A 49 7.072 -8.867 -0.331 1.00 0.00 C ATOM 704 O CYS A 49 5.895 -8.903 0.022 1.00 0.00 O ATOM 705 CB CYS A 49 7.529 -8.830 -2.825 1.00 0.00 C ATOM 706 SG CYS A 49 9.236 -8.363 -3.287 1.00 0.00 S ATOM 0 H CYS A 49 5.751 -10.731 -1.325 1.00 0.00 H new ATOM 0 HA CYS A 49 8.582 -9.968 -1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.066 -9.395 -3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.926 -7.934 -2.676 1.00 0.00 H new ATOM 0 HG CYS A 49 9.212 -7.653 -4.376 1.00 0.00 H new ATOM 712 N LEU A 50 8.016 -8.161 0.275 1.00 0.00 N ATOM 713 CA LEU A 50 7.711 -7.351 1.442 1.00 0.00 C ATOM 714 C LEU A 50 7.193 -5.985 0.988 1.00 0.00 C ATOM 715 O LEU A 50 7.819 -5.323 0.161 1.00 0.00 O ATOM 716 CB LEU A 50 8.925 -7.271 2.369 1.00 0.00 C ATOM 717 CG LEU A 50 8.737 -6.459 3.653 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.698 -7.111 4.567 1.00 0.00 C ATOM 719 CD2 LEU A 50 10.073 -6.242 4.365 1.00 0.00 C ATOM 0 H LEU A 50 8.992 -8.133 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 50 6.918 -7.813 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.215 -8.285 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.756 -6.842 1.810 1.00 0.00 H new ATOM 0 HG LEU A 50 8.354 -5.475 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.584 -6.514 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.742 -7.169 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.027 -8.115 4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.911 -5.663 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.509 -7.207 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.753 -5.701 3.706 1.00 0.00 H new ATOM 731 N VAL A 51 6.056 -5.603 1.550 1.00 0.00 N ATOM 732 CA VAL A 51 5.446 -4.327 1.213 1.00 0.00 C ATOM 733 C VAL A 51 5.161 -3.548 2.499 1.00 0.00 C ATOM 734 O VAL A 51 5.044 -4.137 3.573 1.00 0.00 O ATOM 735 CB VAL A 51 4.196 -4.553 0.361 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.504 -5.452 -0.837 1.00 0.00 C ATOM 737 CG2 VAL A 51 3.057 -5.134 1.203 1.00 0.00 C ATOM 0 H VAL A 51 5.541 -6.154 2.236 1.00 0.00 H new ATOM 0 HA VAL A 51 6.127 -3.725 0.612 1.00 0.00 H new ATOM 0 HB VAL A 51 3.872 -3.585 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.598 -5.596 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.269 -4.983 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.865 -6.418 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.180 -5.285 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.368 -6.089 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.811 -4.442 2.009 1.00 0.00 H new ATOM 747 N ARG A 52 5.058 -2.237 2.347 1.00 0.00 N ATOM 748 CA ARG A 52 4.789 -1.370 3.483 1.00 0.00 C ATOM 749 C ARG A 52 3.404 -0.735 3.349 1.00 0.00 C ATOM 750 O ARG A 52 3.199 0.147 2.517 1.00 0.00 O ATOM 751 CB ARG A 52 5.841 -0.265 3.595 1.00 0.00 C ATOM 752 CG ARG A 52 5.983 0.212 5.042 1.00 0.00 C ATOM 753 CD ARG A 52 7.456 0.378 5.422 1.00 0.00 C ATOM 754 NE ARG A 52 7.678 -0.096 6.805 1.00 0.00 N ATOM 755 CZ ARG A 52 7.413 0.630 7.900 1.00 0.00 C ATOM 756 NH1 ARG A 52 6.912 1.868 7.778 1.00 0.00 N ATOM 757 NH2 ARG A 52 7.646 0.118 9.116 1.00 0.00 N ATOM 0 H ARG A 52 5.156 -1.753 1.455 1.00 0.00 H new ATOM 0 HA ARG A 52 4.826 -1.983 4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.801 -0.634 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.562 0.574 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.462 1.161 5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.509 -0.504 5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.084 -0.184 4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.746 1.425 5.337 1.00 0.00 H new ATOM 0 HE ARG A 52 8.057 -1.034 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.733 2.257 6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.710 2.421 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.025 -0.824 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.444 0.671 9.949 1.00 0.00 H new ATOM 771 N SER A 53 2.487 -1.208 4.182 1.00 0.00 N ATOM 772 CA SER A 53 1.128 -0.698 4.167 1.00 0.00 C ATOM 773 C SER A 53 1.124 0.791 4.522 1.00 0.00 C ATOM 774 O SER A 53 2.013 1.267 5.225 1.00 0.00 O ATOM 775 CB SER A 53 0.236 -1.477 5.136 1.00 0.00 C ATOM 776 OG SER A 53 -1.144 -1.361 4.802 1.00 0.00 O ATOM 0 H SER A 53 2.660 -1.939 4.872 1.00 0.00 H new ATOM 0 HA SER A 53 0.726 -0.827 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.524 -2.528 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.396 -1.110 6.150 1.00 0.00 H new ATOM 0 HG SER A 53 -1.355 -1.972 4.065 1.00 0.00 H new ATOM 782 N PHE A 54 0.113 1.483 4.018 1.00 0.00 N ATOM 783 CA PHE A 54 -0.019 2.908 4.273 1.00 0.00 C ATOM 784 C PHE A 54 -1.178 3.189 5.231 1.00 0.00 C ATOM 785 O PHE A 54 -1.647 4.322 5.327 1.00 0.00 O ATOM 786 CB PHE A 54 -0.309 3.578 2.929 1.00 0.00 C ATOM 787 CG PHE A 54 0.934 3.813 2.069 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.855 4.742 2.444 1.00 0.00 C ATOM 789 CD2 PHE A 54 1.120 3.092 0.931 1.00 0.00 C ATOM 790 CE1 PHE A 54 3.008 4.960 1.645 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.275 3.311 0.132 1.00 0.00 C ATOM 792 CZ PHE A 54 3.195 4.240 0.507 1.00 0.00 C ATOM 0 H PHE A 54 -0.622 1.084 3.435 1.00 0.00 H new ATOM 0 HA PHE A 54 0.894 3.290 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.013 2.960 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.799 4.535 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.709 5.313 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.390 2.353 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.738 5.699 1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.422 2.740 -0.773 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.074 4.406 -0.099 1.00 0.00 H new ATOM 802 N ILE A 55 -1.607 2.139 5.914 1.00 0.00 N ATOM 803 CA ILE A 55 -2.702 2.258 6.861 1.00 0.00 C ATOM 804 C ILE A 55 -2.137 2.351 8.280 1.00 0.00 C ATOM 805 O ILE A 55 -2.278 3.379 8.941 1.00 0.00 O ATOM 806 CB ILE A 55 -3.702 1.115 6.672 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.502 1.295 5.380 1.00 0.00 C ATOM 808 CG2 ILE A 55 -4.610 0.973 7.894 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.367 0.065 5.095 1.00 0.00 C ATOM 0 H ILE A 55 -1.216 1.201 5.830 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.263 3.175 6.680 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.143 0.184 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.135 2.179 5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.820 1.466 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.311 0.154 7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.004 0.764 8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.164 1.900 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.925 0.219 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.729 -0.813 4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.064 -0.089 5.919 1.00 0.00 H new ATOM 821 N ASP A 56 -1.510 1.265 8.706 1.00 0.00 N ATOM 822 CA ASP A 56 -0.923 1.211 10.034 1.00 0.00 C ATOM 823 C ASP A 56 0.600 1.299 9.918 1.00 0.00 C ATOM 824 O ASP A 56 1.296 1.439 10.922 1.00 0.00 O ATOM 825 CB ASP A 56 -1.269 -0.102 10.737 1.00 0.00 C ATOM 826 CG ASP A 56 -2.722 -0.557 10.579 1.00 0.00 C ATOM 827 OD1 ASP A 56 -3.558 -0.071 11.371 1.00 0.00 O ATOM 828 OD2 ASP A 56 -2.963 -1.381 9.671 1.00 0.00 O ATOM 0 H ASP A 56 -1.395 0.415 8.155 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.321 2.045 10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.615 -0.885 10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.051 0.004 11.800 1.00 0.00 H new ATOM 833 N SER A 57 1.074 1.212 8.683 1.00 0.00 N ATOM 834 CA SER A 57 2.501 1.279 8.422 1.00 0.00 C ATOM 835 C SER A 57 3.194 0.036 8.984 1.00 0.00 C ATOM 836 O SER A 57 4.220 0.144 9.654 1.00 0.00 O ATOM 837 CB SER A 57 3.112 2.546 9.024 1.00 0.00 C ATOM 838 OG SER A 57 3.492 2.361 10.385 1.00 0.00 O ATOM 0 H SER A 57 0.494 1.096 7.852 1.00 0.00 H new ATOM 0 HA SER A 57 2.651 1.314 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.985 2.840 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.393 3.363 8.956 1.00 0.00 H new ATOM 0 HG SER A 57 2.728 2.018 10.894 1.00 0.00 H new ATOM 844 N LYS A 58 2.607 -1.113 8.691 1.00 0.00 N ATOM 845 CA LYS A 58 3.155 -2.375 9.159 1.00 0.00 C ATOM 846 C LYS A 58 3.756 -3.136 7.974 1.00 0.00 C ATOM 847 O LYS A 58 3.584 -2.735 6.824 1.00 0.00 O ATOM 848 CB LYS A 58 2.096 -3.169 9.925 1.00 0.00 C ATOM 849 CG LYS A 58 1.967 -2.663 11.364 1.00 0.00 C ATOM 850 CD LYS A 58 1.976 -3.828 12.356 1.00 0.00 C ATOM 851 CE LYS A 58 2.532 -3.387 13.712 1.00 0.00 C ATOM 852 NZ LYS A 58 3.126 -4.540 14.428 1.00 0.00 N ATOM 0 H LYS A 58 1.756 -1.198 8.135 1.00 0.00 H new ATOM 0 HA LYS A 58 3.963 -2.199 9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.135 -3.084 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.361 -4.226 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.788 -1.982 11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.043 -2.095 11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.964 -4.212 12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.580 -4.644 11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.286 -2.613 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.735 -2.949 14.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.499 -4.224 15.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.397 -5.266 14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.900 -4.940 13.860 1.00 0.00 H new ATOM 866 N PHE A 59 4.448 -4.219 8.296 1.00 0.00 N ATOM 867 CA PHE A 59 5.075 -5.038 7.273 1.00 0.00 C ATOM 868 C PHE A 59 4.177 -6.216 6.889 1.00 0.00 C ATOM 869 O PHE A 59 3.722 -6.963 7.755 1.00 0.00 O ATOM 870 CB PHE A 59 6.376 -5.578 7.869 1.00 0.00 C ATOM 871 CG PHE A 59 7.492 -4.535 7.972 1.00 0.00 C ATOM 872 CD1 PHE A 59 8.127 -4.105 6.849 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.849 -4.040 9.188 1.00 0.00 C ATOM 874 CE1 PHE A 59 9.162 -3.137 6.945 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.884 -3.071 9.283 1.00 0.00 C ATOM 876 CZ PHE A 59 9.518 -2.641 8.159 1.00 0.00 C ATOM 0 H PHE A 59 4.588 -4.548 9.251 1.00 0.00 H new ATOM 0 HA PHE A 59 5.253 -4.444 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.171 -5.976 8.863 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.726 -6.411 7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.844 -4.500 5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.346 -4.383 10.080 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.666 -2.795 6.053 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.167 -2.676 10.247 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.305 -1.905 8.231 1.00 0.00 H new ATOM 886 N TYR A 60 3.949 -6.347 5.590 1.00 0.00 N ATOM 887 CA TYR A 60 3.114 -7.421 5.082 1.00 0.00 C ATOM 888 C TYR A 60 3.822 -8.179 3.957 1.00 0.00 C ATOM 889 O TYR A 60 4.608 -7.597 3.210 1.00 0.00 O ATOM 890 CB TYR A 60 1.860 -6.750 4.517 1.00 0.00 C ATOM 891 CG TYR A 60 0.932 -6.169 5.585 1.00 0.00 C ATOM 892 CD1 TYR A 60 1.150 -4.896 6.071 1.00 0.00 C ATOM 893 CD2 TYR A 60 -0.124 -6.918 6.063 1.00 0.00 C ATOM 894 CE1 TYR A 60 0.276 -4.348 7.076 1.00 0.00 C ATOM 895 CE2 TYR A 60 -0.997 -6.371 7.069 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.755 -5.113 7.525 1.00 0.00 C ATOM 897 OH TYR A 60 -1.580 -4.598 8.475 1.00 0.00 O ATOM 0 H TYR A 60 4.328 -5.727 4.875 1.00 0.00 H new ATOM 0 HA TYR A 60 2.885 -8.136 5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.162 -5.952 3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.306 -7.478 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.977 -4.310 5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.296 -7.914 5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.436 -3.353 7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.826 -6.947 7.453 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.271 -5.255 8.699 1.00 0.00 H new ATOM 907 N SER A 61 3.518 -9.465 3.870 1.00 0.00 N ATOM 908 CA SER A 61 4.115 -10.309 2.849 1.00 0.00 C ATOM 909 C SER A 61 3.030 -10.851 1.918 1.00 0.00 C ATOM 910 O SER A 61 2.323 -11.796 2.266 1.00 0.00 O ATOM 911 CB SER A 61 4.901 -11.462 3.477 1.00 0.00 C ATOM 912 OG SER A 61 4.459 -11.750 4.801 1.00 0.00 O ATOM 0 H SER A 61 2.865 -9.944 4.491 1.00 0.00 H new ATOM 0 HA SER A 61 4.812 -9.703 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.795 -12.353 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.961 -11.210 3.495 1.00 0.00 H new ATOM 0 HG SER A 61 4.984 -12.493 5.167 1.00 0.00 H new ATOM 918 N ILE A 62 2.931 -10.232 0.751 1.00 0.00 N ATOM 919 CA ILE A 62 1.943 -10.641 -0.233 1.00 0.00 C ATOM 920 C ILE A 62 2.658 -11.183 -1.472 1.00 0.00 C ATOM 921 O ILE A 62 3.887 -11.196 -1.529 1.00 0.00 O ATOM 922 CB ILE A 62 0.978 -9.492 -0.534 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.274 -8.281 0.354 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.475 -9.951 -0.411 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.068 -8.622 1.832 1.00 0.00 C ATOM 0 H ILE A 62 3.519 -9.450 0.464 1.00 0.00 H new ATOM 0 HA ILE A 62 1.327 -11.450 0.160 1.00 0.00 H new ATOM 0 HB ILE A 62 1.130 -9.179 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.300 -7.949 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.624 -7.452 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.140 -9.116 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.662 -10.759 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.660 -10.306 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.285 -7.745 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.035 -8.930 1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.737 -9.435 2.115 1.00 0.00 H new ATOM 937 N ALA A 63 1.858 -11.618 -2.435 1.00 0.00 N ATOM 938 CA ALA A 63 2.399 -12.160 -3.670 1.00 0.00 C ATOM 939 C ALA A 63 2.340 -11.089 -4.760 1.00 0.00 C ATOM 940 O ALA A 63 1.316 -10.432 -4.935 1.00 0.00 O ATOM 941 CB ALA A 63 1.630 -13.426 -4.052 1.00 0.00 C ATOM 0 H ALA A 63 0.839 -11.606 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 63 3.444 -12.441 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.036 -13.833 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.729 -14.165 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.577 -13.183 -4.193 1.00 0.00 H new ATOM 947 N ARG A 64 3.453 -10.947 -5.467 1.00 0.00 N ATOM 948 CA ARG A 64 3.540 -9.968 -6.536 1.00 0.00 C ATOM 949 C ARG A 64 2.414 -10.184 -7.548 1.00 0.00 C ATOM 950 O ARG A 64 2.092 -9.287 -8.326 1.00 0.00 O ATOM 951 CB ARG A 64 4.888 -10.057 -7.255 1.00 0.00 C ATOM 952 CG ARG A 64 5.932 -9.168 -6.578 1.00 0.00 C ATOM 953 CD ARG A 64 6.151 -7.878 -7.371 1.00 0.00 C ATOM 954 NE ARG A 64 7.594 -7.687 -7.637 1.00 0.00 N ATOM 955 CZ ARG A 64 8.108 -6.620 -8.263 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.300 -5.641 -8.691 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.431 -6.531 -8.461 1.00 0.00 N ATOM 0 H ARG A 64 4.301 -11.494 -5.319 1.00 0.00 H new ATOM 0 HA ARG A 64 3.444 -8.979 -6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.234 -11.091 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.769 -9.756 -8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.608 -8.926 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.874 -9.709 -6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.602 -7.922 -8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.760 -7.027 -6.813 1.00 0.00 H new ATOM 0 HE ARG A 64 8.238 -8.414 -7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.293 -5.708 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.691 -4.829 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.047 -7.276 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.822 -5.718 -8.938 1.00 0.00 H new ATOM 971 N LYS A 65 1.844 -11.380 -7.505 1.00 0.00 N ATOM 972 CA LYS A 65 0.761 -11.726 -8.409 1.00 0.00 C ATOM 973 C LYS A 65 -0.541 -11.105 -7.898 1.00 0.00 C ATOM 974 O LYS A 65 -1.526 -11.028 -8.631 1.00 0.00 O ATOM 975 CB LYS A 65 0.685 -13.242 -8.599 1.00 0.00 C ATOM 976 CG LYS A 65 0.435 -13.950 -7.266 1.00 0.00 C ATOM 977 CD LYS A 65 -0.384 -15.226 -7.469 1.00 0.00 C ATOM 978 CE LYS A 65 0.471 -16.472 -7.224 1.00 0.00 C ATOM 979 NZ LYS A 65 0.146 -17.526 -8.211 1.00 0.00 N ATOM 0 H LYS A 65 2.112 -12.121 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 65 0.946 -11.312 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.114 -13.485 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.614 -13.604 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.387 -14.196 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.092 -13.279 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.237 -15.227 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.784 -15.248 -8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.528 -16.214 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.299 -16.845 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.735 -18.364 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.858 -17.783 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.333 -17.172 -9.171 1.00 0.00 H new ATOM 993 N ASP A 66 -0.504 -10.677 -6.644 1.00 0.00 N ATOM 994 CA ASP A 66 -1.668 -10.065 -6.027 1.00 0.00 C ATOM 995 C ASP A 66 -1.537 -8.543 -6.102 1.00 0.00 C ATOM 996 O ASP A 66 -2.529 -7.825 -5.977 1.00 0.00 O ATOM 997 CB ASP A 66 -1.781 -10.459 -4.553 1.00 0.00 C ATOM 998 CG ASP A 66 -1.296 -11.872 -4.222 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.658 -12.791 -4.987 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.572 -12.000 -3.211 1.00 0.00 O ATOM 0 H ASP A 66 0.314 -10.742 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.554 -10.410 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.210 -9.746 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.823 -10.368 -4.247 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.307 -8.094 -6.303 1.00 0.00 N ATOM 1006 CA ILE A 67 -0.035 -6.670 -6.394 1.00 0.00 C ATOM 1007 C ILE A 67 -0.274 -6.201 -7.831 1.00 0.00 C ATOM 1008 O ILE A 67 -0.117 -6.974 -8.774 1.00 0.00 O ATOM 1009 CB ILE A 67 1.370 -6.359 -5.873 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.605 -7.012 -4.508 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.619 -4.850 -5.836 1.00 0.00 C ATOM 1012 CD1 ILE A 67 3.053 -6.824 -4.053 1.00 0.00 C ATOM 0 H ILE A 67 0.513 -8.692 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.719 -6.110 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 67 2.094 -6.788 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.929 -6.577 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.373 -8.075 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.624 -4.656 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.520 -4.440 -6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.890 -4.377 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.193 -7.297 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.725 -7.281 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.274 -5.760 -3.974 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.652 -4.937 -7.951 1.00 0.00 N ATOM 1025 CA LYS A 68 -0.915 -4.355 -9.256 1.00 0.00 C ATOM 1026 C LYS A 68 -0.911 -2.830 -9.141 1.00 0.00 C ATOM 1027 O LYS A 68 -1.469 -2.274 -8.195 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.208 -4.924 -9.845 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.373 -4.765 -8.866 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.268 -3.591 -9.266 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.292 -4.017 -10.319 1.00 0.00 C ATOM 1032 NZ LYS A 68 -5.992 -2.833 -10.869 1.00 0.00 N ATOM 0 H LYS A 68 -0.782 -4.299 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.126 -4.623 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.441 -4.414 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.070 -5.979 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.960 -5.683 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.987 -4.606 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.784 -3.206 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.655 -2.779 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.793 -4.558 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.015 -4.701 -9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.684 -3.139 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.484 -2.333 -10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.300 -2.194 -11.310 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.276 -2.196 -10.116 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.192 -0.746 -10.134 1.00 0.00 C ATOM 1048 C GLU A 69 -1.511 -0.131 -9.662 1.00 0.00 C ATOM 1049 O GLU A 69 -2.583 -0.668 -9.937 1.00 0.00 O ATOM 1050 CB GLU A 69 0.182 -0.236 -11.527 1.00 0.00 C ATOM 1051 CG GLU A 69 0.753 1.181 -11.459 1.00 0.00 C ATOM 1052 CD GLU A 69 -0.357 2.226 -11.584 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -1.252 2.006 -12.428 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -0.288 3.221 -10.830 1.00 0.00 O ATOM 0 H GLU A 69 0.185 -2.660 -10.899 1.00 0.00 H new ATOM 0 HA GLU A 69 0.596 -0.439 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.914 -0.905 -11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.698 -0.246 -12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.282 1.319 -10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.482 1.322 -12.257 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.389 0.985 -8.960 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.559 1.679 -8.448 1.00 0.00 C ATOM 1063 C VAL A 70 -2.295 3.186 -8.449 1.00 0.00 C ATOM 1064 O VAL A 70 -1.288 3.644 -7.912 1.00 0.00 O ATOM 1065 CB VAL A 70 -2.922 1.138 -7.062 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -1.906 1.591 -6.012 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.341 1.550 -6.668 1.00 0.00 C ATOM 0 H VAL A 70 -0.498 1.427 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.421 1.499 -9.091 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.890 0.049 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.188 1.193 -5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.916 1.224 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.889 2.680 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.574 1.153 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.412 2.638 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.050 1.153 -7.395 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.218 3.915 -9.060 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.098 5.360 -9.139 1.00 0.00 C ATOM 1079 C ASP A 71 -3.843 5.995 -7.963 1.00 0.00 C ATOM 1080 O ASP A 71 -5.019 6.336 -8.080 1.00 0.00 O ATOM 1081 CB ASP A 71 -3.714 5.895 -10.433 1.00 0.00 C ATOM 1082 CG ASP A 71 -5.124 5.385 -10.736 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -5.602 4.538 -9.951 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -5.692 5.854 -11.746 1.00 0.00 O ATOM 0 H ASP A 71 -4.052 3.531 -9.505 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.038 5.611 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.741 6.983 -10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.061 5.630 -11.265 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.128 6.135 -6.856 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.707 6.723 -5.660 1.00 0.00 C ATOM 1091 C ILE A 72 -3.882 8.228 -5.871 1.00 0.00 C ATOM 1092 O ILE A 72 -4.895 8.800 -5.468 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.870 6.367 -4.430 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.717 4.852 -4.289 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.455 7.004 -3.167 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -3.978 4.126 -4.764 1.00 0.00 C ATOM 0 H ILE A 72 -2.153 5.851 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.698 6.310 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.870 6.779 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.858 4.514 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.518 4.599 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.842 6.736 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.468 8.088 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.472 6.642 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.842 3.050 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.830 4.448 -4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.161 4.362 -5.812 1.00 0.00 H new ATOM 1108 N LEU A 73 -2.883 8.826 -6.501 1.00 0.00 N ATOM 1109 CA LEU A 73 -2.915 10.253 -6.770 1.00 0.00 C ATOM 1110 C LEU A 73 -4.037 10.556 -7.764 1.00 0.00 C ATOM 1111 O LEU A 73 -4.364 11.718 -8.002 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.539 10.742 -7.227 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.772 11.614 -6.230 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.443 12.266 -6.894 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.695 12.648 -5.582 1.00 0.00 C ATOM 0 H LEU A 73 -2.045 8.348 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.139 10.808 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.927 9.872 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.664 11.306 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.398 10.972 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.971 12.880 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.112 11.491 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.112 12.891 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.125 13.254 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.120 13.291 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.499 12.137 -5.052 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.595 9.490 -8.320 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.673 9.628 -9.284 1.00 0.00 C ATOM 1129 C ASN A 74 -7.016 9.535 -8.557 1.00 0.00 C ATOM 1130 O ASN A 74 -8.071 9.688 -9.171 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.624 8.511 -10.329 1.00 0.00 C ATOM 1132 CG ASN A 74 -6.875 8.528 -11.210 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -7.819 7.673 -10.826 1.00 0.00 O flip ATOM 1134 ND2 ASN A 74 -6.977 9.268 -12.174 1.00 0.00 N flip ATOM 0 H ASN A 74 -4.321 8.528 -8.121 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.560 10.592 -9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.736 8.628 -10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.539 7.545 -9.830 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.214 9.901 -12.414 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.825 9.254 -12.740 1.00 0.00 H new ATOM 1141 N LEU A 75 -6.934 9.286 -7.258 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.129 9.171 -6.441 1.00 0.00 C ATOM 1143 C LEU A 75 -8.612 10.570 -6.051 1.00 0.00 C ATOM 1144 O LEU A 75 -7.821 11.510 -5.992 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.874 8.254 -5.242 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.768 6.760 -5.552 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.317 5.975 -4.319 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.082 6.224 -6.125 1.00 0.00 C ATOM 0 H LEU A 75 -6.058 9.161 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.933 8.701 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.951 8.571 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.678 8.399 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.004 6.623 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.250 4.916 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.340 6.335 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.039 6.114 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.979 5.160 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.883 6.374 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.321 6.756 -7.046 1.00 0.00 H new ATOM 1160 N PRO A 76 -9.943 10.667 -5.792 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.541 11.936 -5.411 1.00 0.00 C ATOM 1162 C PRO A 76 -10.197 12.291 -3.963 1.00 0.00 C ATOM 1163 O PRO A 76 -9.909 11.410 -3.155 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.033 11.752 -5.638 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.264 10.251 -5.693 1.00 0.00 C ATOM 1166 CD PRO A 76 -10.912 9.576 -5.853 1.00 0.00 C ATOM 0 HA PRO A 76 -10.162 12.772 -5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.610 12.207 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.349 12.230 -6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.757 9.907 -4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.919 9.996 -6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.737 8.847 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.846 9.041 -6.800 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.239 13.585 -3.679 1.00 0.00 N ATOM 1175 CA GLU A 77 -9.935 14.068 -2.343 1.00 0.00 C ATOM 1176 C GLU A 77 -10.875 13.425 -1.320 1.00 0.00 C ATOM 1177 O GLU A 77 -10.603 13.453 -0.121 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.016 15.594 -2.280 1.00 0.00 C ATOM 1179 CG GLU A 77 -8.656 16.202 -1.931 1.00 0.00 C ATOM 1180 CD GLU A 77 -8.410 17.486 -2.725 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -8.436 17.396 -3.972 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -8.200 18.529 -2.068 1.00 0.00 O ATOM 0 H GLU A 77 -10.479 14.313 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.912 13.782 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.357 15.983 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.753 15.892 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.613 16.417 -0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.866 15.482 -2.144 1.00 0.00 H new ATOM 1189 N SER A 78 -11.960 12.864 -1.832 1.00 0.00 N ATOM 1190 CA SER A 78 -12.941 12.217 -0.977 1.00 0.00 C ATOM 1191 C SER A 78 -12.360 10.924 -0.401 1.00 0.00 C ATOM 1192 O SER A 78 -12.224 10.788 0.814 1.00 0.00 O ATOM 1193 CB SER A 78 -14.231 11.922 -1.746 1.00 0.00 C ATOM 1194 OG SER A 78 -15.369 12.510 -1.121 1.00 0.00 O ATOM 0 H SER A 78 -12.182 12.844 -2.827 1.00 0.00 H new ATOM 0 HA SER A 78 -13.184 12.895 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.141 12.299 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.373 10.844 -1.817 1.00 0.00 H new ATOM 0 HG SER A 78 -16.173 12.301 -1.642 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.035 10.006 -1.300 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.472 8.729 -0.895 1.00 0.00 C ATOM 1202 C GLU A 79 -10.252 8.946 0.002 1.00 0.00 C ATOM 1203 O GLU A 79 -10.116 8.299 1.039 1.00 0.00 O ATOM 1204 CB GLU A 79 -11.113 7.878 -2.115 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.362 7.515 -2.918 1.00 0.00 C ATOM 1206 CD GLU A 79 -13.507 7.095 -1.994 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -13.283 6.149 -1.208 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -14.579 7.729 -2.094 1.00 0.00 O ATOM 0 H GLU A 79 -12.151 10.121 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.225 8.187 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.414 8.423 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.607 6.968 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.671 8.369 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.131 6.704 -3.609 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.396 9.860 -0.431 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.191 10.171 0.321 1.00 0.00 C ATOM 1217 C LEU A 80 -8.580 10.772 1.673 1.00 0.00 C ATOM 1218 O LEU A 80 -8.160 10.278 2.719 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.261 11.063 -0.504 1.00 0.00 C ATOM 1220 CG LEU A 80 -6.991 10.604 -1.938 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.087 11.598 -2.671 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.418 9.185 -1.963 1.00 0.00 C ATOM 0 H LEU A 80 -9.512 10.395 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.625 9.263 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.688 12.065 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.307 11.140 0.018 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.941 10.577 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.911 11.248 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.570 12.575 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.136 11.680 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.236 8.884 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.481 9.161 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.129 8.497 -1.505 1.00 0.00 H new ATOM 1234 N SER A 81 -9.375 11.829 1.608 1.00 0.00 N ATOM 1235 CA SER A 81 -9.824 12.503 2.814 1.00 0.00 C ATOM 1236 C SER A 81 -10.379 11.481 3.809 1.00 0.00 C ATOM 1237 O SER A 81 -10.420 11.739 5.011 1.00 0.00 O ATOM 1238 CB SER A 81 -10.883 13.560 2.493 1.00 0.00 C ATOM 1239 OG SER A 81 -11.438 14.135 3.673 1.00 0.00 O ATOM 0 H SER A 81 -9.720 12.236 0.739 1.00 0.00 H new ATOM 0 HA SER A 81 -8.968 13.009 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.438 14.345 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.679 13.108 1.901 1.00 0.00 H new ATOM 0 HG SER A 81 -12.108 14.806 3.426 1.00 0.00 H new ATOM 1245 N THR A 82 -10.791 10.343 3.270 1.00 0.00 N ATOM 1246 CA THR A 82 -11.342 9.281 4.096 1.00 0.00 C ATOM 1247 C THR A 82 -10.323 8.151 4.260 1.00 0.00 C ATOM 1248 O THR A 82 -9.581 8.118 5.240 1.00 0.00 O ATOM 1249 CB THR A 82 -12.658 8.825 3.463 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.275 8.329 2.183 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.592 9.995 3.145 1.00 0.00 C ATOM 0 H THR A 82 -10.755 10.133 2.273 1.00 0.00 H new ATOM 0 HA THR A 82 -11.555 9.634 5.105 1.00 0.00 H new ATOM 0 HB THR A 82 -13.162 8.131 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.329 9.051 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.511 9.616 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.830 10.531 4.064 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.101 10.673 2.447 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.320 7.254 3.286 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.405 6.125 3.310 1.00 0.00 C ATOM 1261 C LYS A 83 -8.041 6.591 3.824 1.00 0.00 C ATOM 1262 O LYS A 83 -7.400 7.442 3.209 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.348 5.452 1.938 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.191 4.176 1.918 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.684 4.504 1.981 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.454 3.413 2.729 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.043 3.956 3.974 1.00 0.00 N ATOM 0 H LYS A 83 -10.937 7.286 2.474 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.762 5.360 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.708 6.142 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.314 5.213 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.978 3.609 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.918 3.542 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.829 5.463 2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.080 4.606 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.242 3.013 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.786 2.585 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.562 3.203 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.285 4.316 4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.696 4.731 3.740 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.628 5.999 4.977 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.352 6.346 5.580 1.00 0.00 C ATOM 1283 C PRO A 84 -5.191 5.722 4.803 1.00 0.00 C ATOM 1284 O PRO A 84 -4.151 6.353 4.621 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.445 5.844 7.012 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.577 4.830 7.025 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.362 4.989 5.733 1.00 0.00 C ATOM 0 HA PRO A 84 -6.154 7.418 5.559 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.507 5.387 7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.647 6.664 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.181 3.818 7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.224 4.992 7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.419 4.048 5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.386 5.307 5.928 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.408 4.490 4.364 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.392 3.775 3.611 1.00 0.00 C ATOM 1297 C GLY A 85 -4.048 4.513 2.315 1.00 0.00 C ATOM 1298 O GLY A 85 -2.875 4.672 1.980 1.00 0.00 O ATOM 0 H GLY A 85 -6.272 3.970 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.494 3.664 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.746 2.771 3.379 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.092 4.946 1.624 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.915 5.665 0.374 1.00 0.00 C ATOM 1304 C LEU A 86 -4.247 7.012 0.654 1.00 0.00 C ATOM 1305 O LEU A 86 -3.195 7.317 0.092 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.247 5.782 -0.370 1.00 0.00 C ATOM 1307 CG LEU A 86 -6.914 4.462 -0.765 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.365 4.688 -1.195 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.103 3.739 -1.841 1.00 0.00 C ATOM 0 H LEU A 86 -6.063 4.813 1.906 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.251 5.113 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.941 6.344 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.085 6.369 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.935 3.814 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.816 3.734 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.925 5.129 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.390 5.362 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.599 2.804 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.028 4.371 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.104 3.526 -1.462 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.884 7.783 1.522 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.365 9.091 1.885 1.00 0.00 C ATOM 1323 C GLN A 87 -2.836 9.053 1.957 1.00 0.00 C ATOM 1324 O GLN A 87 -2.156 9.584 1.082 1.00 0.00 O ATOM 1325 CB GLN A 87 -4.964 9.572 3.208 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.471 10.978 3.553 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.645 11.945 3.727 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.304 11.982 4.754 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -5.869 12.719 2.670 1.00 0.00 N ATOM 0 H GLN A 87 -5.756 7.527 1.985 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.656 9.803 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.052 9.570 3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.693 8.881 4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.883 10.946 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.812 11.340 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.278 12.636 1.843 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.631 13.396 2.686 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.342 8.419 3.011 1.00 0.00 N ATOM 1339 CA LYS A 88 -0.906 8.306 3.210 1.00 0.00 C ATOM 1340 C LYS A 88 -0.237 7.966 1.877 1.00 0.00 C ATOM 1341 O LYS A 88 0.684 8.659 1.447 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.598 7.305 4.325 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.057 8.017 5.567 1.00 0.00 C ATOM 1344 CD LYS A 88 0.262 7.016 6.678 1.00 0.00 C ATOM 1345 CE LYS A 88 -0.821 7.032 7.759 1.00 0.00 C ATOM 1346 NZ LYS A 88 -0.278 6.536 9.044 1.00 0.00 N ATOM 0 H LYS A 88 -2.909 7.979 3.735 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.491 9.257 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.502 6.753 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.132 6.576 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.842 8.576 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.790 8.740 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.345 6.014 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.228 7.256 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.202 8.045 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.662 6.412 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.026 6.553 9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.064 5.561 8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.510 7.144 9.346 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.725 6.900 1.259 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.186 6.461 -0.016 1.00 0.00 C ATOM 1362 C ALA A 89 -0.123 7.651 -0.976 1.00 0.00 C ATOM 1363 O ALA A 89 0.941 7.975 -1.500 1.00 0.00 O ATOM 1364 CB ALA A 89 -1.039 5.315 -0.564 1.00 0.00 C ATOM 0 H ALA A 89 -1.489 6.327 1.619 1.00 0.00 H new ATOM 0 HA ALA A 89 0.829 6.083 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.634 4.986 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.027 4.483 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.064 5.658 -0.702 1.00 0.00 H new ATOM 1370 N SER A 90 -1.279 8.269 -1.177 1.00 0.00 N ATOM 1371 CA SER A 90 -1.369 9.416 -2.065 1.00 0.00 C ATOM 1372 C SER A 90 -0.397 10.507 -1.611 1.00 0.00 C ATOM 1373 O SER A 90 0.364 11.039 -2.417 1.00 0.00 O ATOM 1374 CB SER A 90 -2.796 9.963 -2.114 1.00 0.00 C ATOM 1375 OG SER A 90 -3.690 9.200 -1.308 1.00 0.00 O ATOM 0 H SER A 90 -2.160 7.997 -0.740 1.00 0.00 H new ATOM 0 HA SER A 90 -1.098 9.093 -3.070 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.798 10.999 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.149 9.963 -3.145 1.00 0.00 H new ATOM 0 HG SER A 90 -3.314 9.099 -0.409 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.455 10.806 -0.322 1.00 0.00 N ATOM 1382 CA ILE A 91 0.410 11.824 0.250 1.00 0.00 C ATOM 1383 C ILE A 91 1.847 11.590 -0.221 1.00 0.00 C ATOM 1384 O ILE A 91 2.506 12.511 -0.699 1.00 0.00 O ATOM 1385 CB ILE A 91 0.261 11.862 1.771 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -1.066 12.509 2.177 1.00 0.00 C ATOM 1387 CG2 ILE A 91 1.459 12.555 2.423 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -1.125 12.738 3.688 1.00 0.00 C ATOM 0 H ILE A 91 -1.088 10.361 0.343 1.00 0.00 H new ATOM 0 HA ILE A 91 0.116 12.813 -0.100 1.00 0.00 H new ATOM 0 HB ILE A 91 0.244 10.836 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.185 13.459 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.895 11.871 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.327 12.568 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.372 12.013 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.533 13.578 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.078 13.199 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.030 11.783 4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.310 13.396 3.988 1.00 0.00 H new ATOM 1400 N PHE A 92 2.290 10.350 -0.070 1.00 0.00 N ATOM 1401 CA PHE A 92 3.636 9.982 -0.475 1.00 0.00 C ATOM 1402 C PHE A 92 3.798 10.074 -1.993 1.00 0.00 C ATOM 1403 O PHE A 92 4.916 10.055 -2.505 1.00 0.00 O ATOM 1404 CB PHE A 92 3.854 8.532 -0.038 1.00 0.00 C ATOM 1405 CG PHE A 92 5.064 7.860 -0.691 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.322 8.195 -0.297 1.00 0.00 C ATOM 1407 CD2 PHE A 92 4.881 6.928 -1.664 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.445 7.573 -0.903 1.00 0.00 C ATOM 1409 CE2 PHE A 92 6.004 6.305 -2.270 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.262 6.640 -1.877 1.00 0.00 C ATOM 0 H PHE A 92 1.741 9.588 0.327 1.00 0.00 H new ATOM 0 HA PHE A 92 4.359 10.658 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.976 8.504 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.960 7.954 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.467 8.934 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.882 6.662 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.444 7.840 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.859 5.565 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.116 6.166 -2.338 1.00 0.00 H new ATOM 1420 N LEU A 93 2.664 10.172 -2.672 1.00 0.00 N ATOM 1421 CA LEU A 93 2.665 10.267 -4.121 1.00 0.00 C ATOM 1422 C LEU A 93 2.700 11.740 -4.532 1.00 0.00 C ATOM 1423 O LEU A 93 2.885 12.057 -5.706 1.00 0.00 O ATOM 1424 CB LEU A 93 1.483 9.492 -4.710 1.00 0.00 C ATOM 1425 CG LEU A 93 1.581 7.967 -4.646 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.709 7.316 -5.721 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.037 7.507 -4.734 1.00 0.00 C ATOM 0 H LEU A 93 1.738 10.188 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 93 3.560 9.800 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.577 9.800 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.366 9.785 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 93 1.198 7.641 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.797 6.232 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.331 7.606 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.039 7.646 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.078 6.419 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.469 7.845 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.603 7.928 -3.903 1.00 0.00 H new ATOM 1439 N LYS A 94 2.521 12.602 -3.541 1.00 0.00 N ATOM 1440 CA LYS A 94 2.531 14.034 -3.784 1.00 0.00 C ATOM 1441 C LYS A 94 3.721 14.663 -3.055 1.00 0.00 C ATOM 1442 O LYS A 94 4.433 15.491 -3.622 1.00 0.00 O ATOM 1443 CB LYS A 94 1.183 14.651 -3.407 1.00 0.00 C ATOM 1444 CG LYS A 94 0.273 13.615 -2.742 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.977 14.278 -2.158 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.640 15.197 -3.185 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.800 15.894 -2.584 1.00 0.00 N ATOM 0 H LYS A 94 2.368 12.336 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 94 2.663 14.239 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.340 15.491 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.698 15.047 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.019 12.860 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.819 13.100 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.684 13.512 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.708 14.852 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.917 15.928 -3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.965 14.614 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.239 16.514 -3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.496 15.193 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.481 16.465 -1.776 1.00 0.00 H new ATOM 1461 N THR A 95 3.898 14.246 -1.810 1.00 0.00 N ATOM 1462 CA THR A 95 4.989 14.757 -0.999 1.00 0.00 C ATOM 1463 C THR A 95 6.284 14.004 -1.308 1.00 0.00 C ATOM 1464 O THR A 95 7.371 14.574 -1.234 1.00 0.00 O ATOM 1465 CB THR A 95 4.569 14.666 0.469 1.00 0.00 C ATOM 1466 OG1 THR A 95 4.499 13.265 0.723 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.139 15.158 0.702 1.00 0.00 C ATOM 0 H THR A 95 3.304 13.560 -1.344 1.00 0.00 H new ATOM 0 HA THR A 95 5.196 15.802 -1.229 1.00 0.00 H new ATOM 0 HB THR A 95 5.257 15.250 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.633 12.921 0.420 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.892 15.072 1.760 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.058 16.201 0.395 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.446 14.553 0.117 1.00 0.00 H new ATOM 1475 N ARG A 96 6.124 12.734 -1.650 1.00 0.00 N ATOM 1476 CA ARG A 96 7.267 11.896 -1.972 1.00 0.00 C ATOM 1477 C ARG A 96 8.237 11.846 -0.790 1.00 0.00 C ATOM 1478 O ARG A 96 9.453 11.857 -0.979 1.00 0.00 O ATOM 1479 CB ARG A 96 8.005 12.420 -3.205 1.00 0.00 C ATOM 1480 CG ARG A 96 7.050 12.572 -4.392 1.00 0.00 C ATOM 1481 CD ARG A 96 6.609 11.205 -4.919 1.00 0.00 C ATOM 1482 NE ARG A 96 7.617 10.678 -5.866 1.00 0.00 N ATOM 1483 CZ ARG A 96 8.656 9.912 -5.510 1.00 0.00 C ATOM 1484 NH1 ARG A 96 8.831 9.576 -4.223 1.00 0.00 N ATOM 1485 NH2 ARG A 96 9.520 9.480 -6.438 1.00 0.00 N ATOM 0 H ARG A 96 5.220 12.265 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 96 6.894 10.894 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.464 13.382 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.812 11.736 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.176 13.148 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.540 13.132 -5.188 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.480 10.511 -4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.642 11.292 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 96 7.514 10.913 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.173 9.904 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.622 8.993 -3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.387 9.735 -7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.311 8.897 -6.166 1.00 0.00 H new ATOM 1499 N VAL A 97 7.664 11.791 0.403 1.00 0.00 N ATOM 1500 CA VAL A 97 8.463 11.738 1.616 1.00 0.00 C ATOM 1501 C VAL A 97 7.668 11.032 2.716 1.00 0.00 C ATOM 1502 O VAL A 97 6.824 11.645 3.367 1.00 0.00 O ATOM 1503 CB VAL A 97 8.907 13.148 2.012 1.00 0.00 C ATOM 1504 CG1 VAL A 97 7.700 14.066 2.219 1.00 0.00 C ATOM 1505 CG2 VAL A 97 9.792 13.114 3.260 1.00 0.00 C ATOM 0 H VAL A 97 6.656 11.782 0.556 1.00 0.00 H new ATOM 0 HA VAL A 97 9.372 11.159 1.449 1.00 0.00 H new ATOM 0 HB VAL A 97 9.500 13.555 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.044 15.062 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.127 14.128 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.068 13.664 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.094 14.129 3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.235 12.677 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.678 12.512 3.061 1.00 0.00 H new ATOM 1515 N VAL A 98 7.965 9.752 2.888 1.00 0.00 N ATOM 1516 CA VAL A 98 7.288 8.956 3.897 1.00 0.00 C ATOM 1517 C VAL A 98 7.575 9.542 5.280 1.00 0.00 C ATOM 1518 O VAL A 98 8.506 10.328 5.444 1.00 0.00 O ATOM 1519 CB VAL A 98 7.704 7.488 3.771 1.00 0.00 C ATOM 1520 CG1 VAL A 98 6.805 6.746 2.780 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.176 7.368 3.372 1.00 0.00 C ATOM 0 H VAL A 98 8.665 9.247 2.345 1.00 0.00 H new ATOM 0 HA VAL A 98 6.209 8.988 3.748 1.00 0.00 H new ATOM 0 HB VAL A 98 7.582 7.020 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.122 5.706 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.772 6.788 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.880 7.215 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.446 6.315 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.334 7.860 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.798 7.844 4.130 1.00 0.00 H new ATOM 1531 N PRO A 99 6.736 9.127 6.266 1.00 0.00 N ATOM 1532 CA PRO A 99 6.890 9.603 7.631 1.00 0.00 C ATOM 1533 C PRO A 99 8.082 8.929 8.315 1.00 0.00 C ATOM 1534 O PRO A 99 8.419 7.789 8.001 1.00 0.00 O ATOM 1535 CB PRO A 99 5.565 9.294 8.308 1.00 0.00 C ATOM 1536 CG PRO A 99 4.889 8.244 7.441 1.00 0.00 C ATOM 1537 CD PRO A 99 5.622 8.197 6.109 1.00 0.00 C ATOM 0 HA PRO A 99 7.109 10.670 7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.721 8.923 9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.949 10.190 8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.920 7.269 7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.838 8.492 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.975 7.190 5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.970 8.495 5.288 1.00 0.00 H new ATOM 1545 N ASP A 100 8.687 9.665 9.236 1.00 0.00 N ATOM 1546 CA ASP A 100 9.834 9.153 9.966 1.00 0.00 C ATOM 1547 C ASP A 100 9.507 7.761 10.511 1.00 0.00 C ATOM 1548 O ASP A 100 10.407 6.956 10.748 1.00 0.00 O ATOM 1549 CB ASP A 100 10.178 10.056 11.153 1.00 0.00 C ATOM 1550 CG ASP A 100 11.423 10.926 10.963 1.00 0.00 C ATOM 1551 OD1 ASP A 100 11.295 11.954 10.265 1.00 0.00 O ATOM 1552 OD2 ASP A 100 12.473 10.543 11.524 1.00 0.00 O ATOM 0 H ASP A 100 8.405 10.611 9.493 1.00 0.00 H new ATOM 0 HA ASP A 100 10.681 9.117 9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.326 10.706 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.320 9.432 12.036 1.00 0.00 H new ATOM 1557 N ASN A 101 8.218 7.519 10.693 1.00 0.00 N ATOM 1558 CA ASN A 101 7.761 6.238 11.204 1.00 0.00 C ATOM 1559 C ASN A 101 8.210 5.125 10.256 1.00 0.00 C ATOM 1560 O ASN A 101 8.208 3.952 10.625 1.00 0.00 O ATOM 1561 CB ASN A 101 6.234 6.194 11.296 1.00 0.00 C ATOM 1562 CG ASN A 101 5.768 6.310 12.748 1.00 0.00 C ATOM 1563 OD1 ASN A 101 5.931 7.328 13.400 1.00 0.00 O ATOM 1564 ND2 ASN A 101 5.182 5.213 13.218 1.00 0.00 N ATOM 0 H ASN A 101 7.475 8.189 10.496 1.00 0.00 H new ATOM 0 HA ASN A 101 8.186 6.101 12.198 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.807 7.006 10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.867 5.262 10.866 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.837 5.190 14.178 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.077 4.394 12.619 1.00 0.00 H new ATOM 1571 N TRP A 102 8.585 5.534 9.052 1.00 0.00 N ATOM 1572 CA TRP A 102 9.035 4.585 8.047 1.00 0.00 C ATOM 1573 C TRP A 102 10.562 4.658 7.979 1.00 0.00 C ATOM 1574 O TRP A 102 11.243 3.644 8.118 1.00 0.00 O ATOM 1575 CB TRP A 102 8.364 4.854 6.699 1.00 0.00 C ATOM 1576 CG TRP A 102 6.842 4.696 6.720 1.00 0.00 C ATOM 1577 CD1 TRP A 102 5.990 5.039 7.694 1.00 0.00 C ATOM 1578 CD2 TRP A 102 6.022 4.136 5.672 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.685 4.743 7.354 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.706 4.177 6.085 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.380 3.613 4.417 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.642 3.709 5.304 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.306 3.150 3.649 1.00 0.00 C ATOM 1584 CH2 TRP A 102 3.975 3.183 4.050 1.00 0.00 C ATOM 0 H TRP A 102 8.586 6.508 8.750 1.00 0.00 H new ATOM 0 HA TRP A 102 8.746 3.570 8.318 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.610 5.866 6.378 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.780 4.174 5.955 1.00 0.00 H new ATOM 0 HD1 TRP A 102 6.286 5.491 8.629 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.858 4.909 7.928 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.403 3.572 4.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.620 3.752 5.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.526 2.738 2.675 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.202 2.805 3.397 1.00 0.00 H new