USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 116:sc= 1.06 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.354 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.016) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -175:sc= 0 (180deg=-0.0208) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -21.373 -7.554 -20.923 1.00 0.00 N ATOM 96 CA GLY A 7 -21.825 -6.223 -20.554 1.00 0.00 C ATOM 97 C GLY A 7 -22.546 -6.244 -19.205 1.00 0.00 C ATOM 98 O GLY A 7 -22.137 -5.561 -18.267 1.00 0.00 O ATOM 0 HA2 GLY A 7 -20.972 -5.546 -20.504 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.494 -5.836 -21.322 1.00 0.00 H new ATOM 102 N TYR A 8 -23.608 -7.035 -19.150 1.00 0.00 N ATOM 103 CA TYR A 8 -24.391 -7.154 -17.932 1.00 0.00 C ATOM 104 C TYR A 8 -23.486 -7.386 -16.719 1.00 0.00 C ATOM 105 O TYR A 8 -23.631 -6.720 -15.696 1.00 0.00 O ATOM 106 CB TYR A 8 -25.289 -8.377 -18.125 1.00 0.00 C ATOM 107 CG TYR A 8 -26.061 -8.787 -16.869 1.00 0.00 C ATOM 108 CD1 TYR A 8 -25.452 -9.572 -15.910 1.00 0.00 C ATOM 109 CD2 TYR A 8 -27.365 -8.373 -16.695 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.178 -9.958 -14.728 1.00 0.00 C ATOM 111 CE2 TYR A 8 -28.092 -8.759 -15.513 1.00 0.00 C ATOM 112 CZ TYR A 8 -27.462 -9.532 -14.588 1.00 0.00 C ATOM 113 OH TYR A 8 -28.149 -9.897 -13.472 1.00 0.00 O ATOM 0 H TYR A 8 -23.944 -7.600 -19.930 1.00 0.00 H new ATOM 0 HA TYR A 8 -24.960 -6.242 -17.751 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.000 -8.170 -18.925 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.676 -9.217 -18.453 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -24.431 -9.896 -16.047 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -27.841 -7.759 -17.445 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -25.714 -10.572 -13.970 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -29.114 -8.442 -15.365 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.053 -9.520 -13.506 1.00 0.00 H new ATOM 123 N ALA A 9 -22.574 -8.334 -16.875 1.00 0.00 N ATOM 124 CA ALA A 9 -21.646 -8.662 -15.806 1.00 0.00 C ATOM 125 C ALA A 9 -20.896 -7.398 -15.381 1.00 0.00 C ATOM 126 O ALA A 9 -20.636 -7.196 -14.196 1.00 0.00 O ATOM 127 CB ALA A 9 -20.701 -9.771 -16.273 1.00 0.00 C ATOM 0 H ALA A 9 -22.458 -8.885 -17.725 1.00 0.00 H new ATOM 0 HA ALA A 9 -22.182 -9.036 -14.934 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.005 -10.017 -15.471 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.280 -10.656 -16.535 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.144 -9.431 -17.146 1.00 0.00 H new ATOM 133 N ALA A 10 -20.571 -6.580 -16.371 1.00 0.00 N ATOM 134 CA ALA A 10 -19.856 -5.341 -16.114 1.00 0.00 C ATOM 135 C ALA A 10 -20.785 -4.362 -15.392 1.00 0.00 C ATOM 136 O ALA A 10 -20.327 -3.525 -14.616 1.00 0.00 O ATOM 137 CB ALA A 10 -19.325 -4.775 -17.433 1.00 0.00 C ATOM 0 H ALA A 10 -20.789 -6.751 -17.353 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.998 -5.520 -15.467 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.789 -3.846 -17.241 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.649 -5.496 -17.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.159 -4.580 -18.107 1.00 0.00 H new ATOM 143 N LEU A 11 -22.072 -4.501 -15.673 1.00 0.00 N ATOM 144 CA LEU A 11 -23.069 -3.639 -15.060 1.00 0.00 C ATOM 145 C LEU A 11 -23.244 -4.034 -13.592 1.00 0.00 C ATOM 146 O LEU A 11 -22.942 -3.249 -12.694 1.00 0.00 O ATOM 147 CB LEU A 11 -24.370 -3.668 -15.864 1.00 0.00 C ATOM 148 CG LEU A 11 -24.951 -2.307 -16.248 1.00 0.00 C ATOM 149 CD1 LEU A 11 -24.073 -1.610 -17.289 1.00 0.00 C ATOM 150 CD2 LEU A 11 -26.401 -2.442 -16.720 1.00 0.00 C ATOM 0 H LEU A 11 -22.448 -5.197 -16.317 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.736 -2.601 -15.074 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.197 -4.238 -16.777 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.119 -4.211 -15.287 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.959 -1.677 -15.359 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.509 -0.644 -17.545 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.074 -1.460 -16.881 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.010 -2.228 -18.185 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.790 -1.459 -16.987 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -26.441 -3.097 -17.591 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -27.006 -2.866 -15.919 1.00 0.00 H new ATOM 162 N VAL A 12 -23.731 -5.250 -13.393 1.00 0.00 N ATOM 163 CA VAL A 12 -23.950 -5.758 -12.050 1.00 0.00 C ATOM 164 C VAL A 12 -22.663 -5.607 -11.236 1.00 0.00 C ATOM 165 O VAL A 12 -22.711 -5.373 -10.029 1.00 0.00 O ATOM 166 CB VAL A 12 -24.452 -7.202 -12.112 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.483 -8.086 -12.899 1.00 0.00 C ATOM 168 CG2 VAL A 12 -24.687 -7.761 -10.707 1.00 0.00 C ATOM 0 H VAL A 12 -23.980 -5.898 -14.140 1.00 0.00 H new ATOM 0 HA VAL A 12 -24.724 -5.180 -11.545 1.00 0.00 H new ATOM 0 HB VAL A 12 -25.407 -7.203 -12.637 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.864 -9.107 -12.928 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -23.387 -7.706 -13.916 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -22.507 -8.076 -12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -25.043 -8.789 -10.779 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -23.753 -7.740 -10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -25.432 -7.154 -10.194 1.00 0.00 H new ATOM 178 N THR A 13 -21.542 -5.747 -11.929 1.00 0.00 N ATOM 179 CA THR A 13 -20.245 -5.630 -11.286 1.00 0.00 C ATOM 180 C THR A 13 -20.038 -4.209 -10.758 1.00 0.00 C ATOM 181 O THR A 13 -19.993 -3.993 -9.548 1.00 0.00 O ATOM 182 CB THR A 13 -19.177 -6.065 -12.292 1.00 0.00 C ATOM 183 OG1 THR A 13 -19.222 -7.489 -12.251 1.00 0.00 O ATOM 184 CG2 THR A 13 -17.760 -5.723 -11.827 1.00 0.00 C ATOM 0 H THR A 13 -21.506 -5.940 -12.930 1.00 0.00 H new ATOM 0 HA THR A 13 -20.176 -6.281 -10.414 1.00 0.00 H new ATOM 0 HB THR A 13 -19.368 -5.588 -13.253 1.00 0.00 H new ATOM 0 HG1 THR A 13 -19.509 -7.832 -13.123 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.041 -6.053 -12.577 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.672 -4.645 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.556 -6.227 -10.882 1.00 0.00 H new ATOM 192 N PHE A 14 -19.919 -3.276 -11.691 1.00 0.00 N ATOM 193 CA PHE A 14 -19.718 -1.882 -11.335 1.00 0.00 C ATOM 194 C PHE A 14 -20.632 -1.475 -10.177 1.00 0.00 C ATOM 195 O PHE A 14 -20.159 -1.006 -9.143 1.00 0.00 O ATOM 196 CB PHE A 14 -20.075 -1.049 -12.568 1.00 0.00 C ATOM 197 CG PHE A 14 -18.877 -0.355 -13.218 1.00 0.00 C ATOM 198 CD1 PHE A 14 -18.323 0.739 -12.630 1.00 0.00 C ATOM 199 CD2 PHE A 14 -18.365 -0.833 -14.384 1.00 0.00 C ATOM 200 CE1 PHE A 14 -17.211 1.383 -13.234 1.00 0.00 C ATOM 201 CE2 PHE A 14 -17.253 -0.189 -14.988 1.00 0.00 C ATOM 202 CZ PHE A 14 -16.699 0.906 -14.400 1.00 0.00 C ATOM 0 H PHE A 14 -19.958 -3.458 -12.694 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.686 -1.723 -11.022 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.551 -1.696 -13.305 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.809 -0.295 -12.284 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -18.729 1.118 -11.704 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.804 -1.702 -14.850 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.772 2.252 -12.767 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -16.847 -0.568 -15.914 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.853 1.396 -14.859 1.00 0.00 H new ATOM 212 N GLY A 15 -21.926 -1.669 -10.390 1.00 0.00 N ATOM 213 CA GLY A 15 -22.910 -1.328 -9.378 1.00 0.00 C ATOM 214 C GLY A 15 -22.658 -2.105 -8.084 1.00 0.00 C ATOM 215 O GLY A 15 -22.327 -1.517 -7.056 1.00 0.00 O ATOM 0 H GLY A 15 -22.315 -2.058 -11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.874 -0.257 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.911 -1.548 -9.750 1.00 0.00 H new ATOM 219 N SER A 16 -22.825 -3.417 -8.178 1.00 0.00 N ATOM 220 CA SER A 16 -22.620 -4.281 -7.028 1.00 0.00 C ATOM 221 C SER A 16 -21.419 -3.794 -6.215 1.00 0.00 C ATOM 222 O SER A 16 -21.567 -3.392 -5.062 1.00 0.00 O ATOM 223 CB SER A 16 -22.414 -5.734 -7.460 1.00 0.00 C ATOM 224 OG SER A 16 -22.209 -6.598 -6.346 1.00 0.00 O ATOM 0 H SER A 16 -23.100 -3.902 -9.032 1.00 0.00 H new ATOM 0 HA SER A 16 -23.514 -4.239 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.283 -6.071 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.556 -5.795 -8.129 1.00 0.00 H new ATOM 0 HG SER A 16 -22.083 -7.517 -6.663 1.00 0.00 H new ATOM 230 N ILE A 17 -20.256 -3.846 -6.848 1.00 0.00 N ATOM 231 CA ILE A 17 -19.030 -3.415 -6.198 1.00 0.00 C ATOM 232 C ILE A 17 -19.271 -2.075 -5.501 1.00 0.00 C ATOM 233 O ILE A 17 -18.881 -1.891 -4.349 1.00 0.00 O ATOM 234 CB ILE A 17 -17.873 -3.389 -7.199 1.00 0.00 C ATOM 235 CG1 ILE A 17 -17.622 -4.780 -7.783 1.00 0.00 C ATOM 236 CG2 ILE A 17 -16.613 -2.796 -6.566 1.00 0.00 C ATOM 237 CD1 ILE A 17 -17.394 -5.808 -6.673 1.00 0.00 C ATOM 0 H ILE A 17 -20.137 -4.180 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.737 -4.127 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.153 -2.738 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -18.474 -5.081 -8.393 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.753 -4.751 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.806 -2.789 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -16.815 -1.776 -6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.318 -3.400 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.218 -6.788 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.527 -5.517 -6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -18.274 -5.852 -6.032 1.00 0.00 H new ATOM 249 N PHE A 18 -19.913 -1.173 -6.229 1.00 0.00 N ATOM 250 CA PHE A 18 -20.210 0.146 -5.695 1.00 0.00 C ATOM 251 C PHE A 18 -20.904 0.043 -4.335 1.00 0.00 C ATOM 252 O PHE A 18 -20.562 0.769 -3.404 1.00 0.00 O ATOM 253 CB PHE A 18 -21.156 0.826 -6.686 1.00 0.00 C ATOM 254 CG PHE A 18 -20.973 2.342 -6.781 1.00 0.00 C ATOM 255 CD1 PHE A 18 -19.791 2.859 -7.214 1.00 0.00 C ATOM 256 CD2 PHE A 18 -21.991 3.174 -6.432 1.00 0.00 C ATOM 257 CE1 PHE A 18 -19.621 4.266 -7.301 1.00 0.00 C ATOM 258 CE2 PHE A 18 -21.821 4.581 -6.519 1.00 0.00 C ATOM 259 CZ PHE A 18 -20.639 5.097 -6.952 1.00 0.00 C ATOM 0 H PHE A 18 -20.236 -1.329 -7.184 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.287 0.710 -5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -21.006 0.390 -7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.185 0.612 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.982 2.199 -7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -22.929 2.764 -6.088 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -18.683 4.676 -7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -22.630 5.241 -6.242 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.509 6.167 -7.019 1.00 0.00 H new ATOM 269 N GLY A 19 -21.866 -0.866 -4.265 1.00 0.00 N ATOM 270 CA GLY A 19 -22.610 -1.073 -3.034 1.00 0.00 C ATOM 271 C GLY A 19 -21.805 -1.914 -2.041 1.00 0.00 C ATOM 272 O GLY A 19 -22.084 -1.903 -0.844 1.00 0.00 O ATOM 0 H GLY A 19 -22.147 -1.467 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.854 -0.110 -2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.555 -1.570 -3.255 1.00 0.00 H new ATOM 276 N TYR A 20 -20.823 -2.624 -2.576 1.00 0.00 N ATOM 277 CA TYR A 20 -19.975 -3.469 -1.752 1.00 0.00 C ATOM 278 C TYR A 20 -20.808 -4.494 -0.981 1.00 0.00 C ATOM 279 O TYR A 20 -21.574 -4.133 -0.088 1.00 0.00 O ATOM 280 CB TYR A 20 -19.289 -2.533 -0.755 1.00 0.00 C ATOM 281 CG TYR A 20 -17.783 -2.382 -0.979 1.00 0.00 C ATOM 282 CD1 TYR A 20 -17.312 -1.510 -1.939 1.00 0.00 C ATOM 283 CD2 TYR A 20 -16.895 -3.119 -0.222 1.00 0.00 C ATOM 284 CE1 TYR A 20 -15.894 -1.368 -2.150 1.00 0.00 C ATOM 285 CE2 TYR A 20 -15.478 -2.977 -0.432 1.00 0.00 C ATOM 286 CZ TYR A 20 -15.047 -2.108 -1.386 1.00 0.00 C ATOM 287 OH TYR A 20 -13.709 -1.974 -1.585 1.00 0.00 O ATOM 0 H TYR A 20 -20.595 -2.632 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.263 -4.017 -2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.755 -1.550 -0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.460 -2.906 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.007 -0.934 -2.532 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -17.263 -3.803 0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.512 -0.689 -2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.773 -3.547 0.154 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.226 -2.563 -0.968 1.00 0.00 H new ATOM 297 N LYS A 21 -20.631 -5.753 -1.353 1.00 0.00 N ATOM 298 CA LYS A 21 -21.357 -6.834 -0.707 1.00 0.00 C ATOM 299 C LYS A 21 -20.443 -8.055 -0.584 1.00 0.00 C ATOM 300 O LYS A 21 -20.721 -9.103 -1.165 1.00 0.00 O ATOM 301 CB LYS A 21 -22.666 -7.117 -1.446 1.00 0.00 C ATOM 302 CG LYS A 21 -23.847 -6.434 -0.753 1.00 0.00 C ATOM 303 CD LYS A 21 -25.150 -6.688 -1.512 1.00 0.00 C ATOM 304 CE LYS A 21 -26.356 -6.602 -0.574 1.00 0.00 C ATOM 305 NZ LYS A 21 -27.611 -6.496 -1.352 1.00 0.00 N ATOM 0 H LYS A 21 -19.995 -6.049 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 21 -21.645 -6.548 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -22.590 -6.765 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -22.838 -8.192 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -23.938 -6.805 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -23.664 -5.362 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.256 -5.958 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.117 -7.672 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.391 -7.484 0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.253 -5.737 0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.420 -6.439 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.582 -5.641 -1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.715 -7.334 -1.959 1.00 0.00 H new ATOM 319 N ARG A 22 -19.372 -7.879 0.175 1.00 0.00 N ATOM 320 CA ARG A 22 -18.416 -8.953 0.381 1.00 0.00 C ATOM 321 C ARG A 22 -17.752 -9.334 -0.944 1.00 0.00 C ATOM 322 O ARG A 22 -18.410 -9.856 -1.844 1.00 0.00 O ATOM 323 CB ARG A 22 -19.094 -10.188 0.978 1.00 0.00 C ATOM 324 CG ARG A 22 -19.009 -10.175 2.505 1.00 0.00 C ATOM 325 CD ARG A 22 -17.717 -10.838 2.988 1.00 0.00 C ATOM 326 NE ARG A 22 -17.612 -10.730 4.460 1.00 0.00 N ATOM 327 CZ ARG A 22 -17.223 -9.622 5.106 1.00 0.00 C ATOM 328 NH1 ARG A 22 -16.899 -8.522 4.414 1.00 0.00 N ATOM 329 NH2 ARG A 22 -17.157 -9.615 6.444 1.00 0.00 N ATOM 0 H ARG A 22 -19.145 -7.008 0.655 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.660 -8.594 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.139 -10.219 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.620 -11.090 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.052 -9.148 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.869 -10.697 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.703 -11.886 2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.857 -10.362 2.518 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.851 -11.550 5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.948 -8.527 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.603 -7.679 4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.403 -10.453 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.861 -8.772 6.936 1.00 0.00 H new ATOM 343 N ARG A 23 -16.459 -9.059 -1.023 1.00 0.00 N ATOM 344 CA ARG A 23 -15.699 -9.367 -2.223 1.00 0.00 C ATOM 345 C ARG A 23 -14.204 -9.168 -1.970 1.00 0.00 C ATOM 346 O ARG A 23 -13.814 -8.555 -0.977 1.00 0.00 O ATOM 347 CB ARG A 23 -16.134 -8.481 -3.392 1.00 0.00 C ATOM 348 CG ARG A 23 -16.973 -9.273 -4.397 1.00 0.00 C ATOM 349 CD ARG A 23 -18.415 -8.761 -4.431 1.00 0.00 C ATOM 350 NE ARG A 23 -19.357 -9.902 -4.420 1.00 0.00 N ATOM 351 CZ ARG A 23 -19.436 -10.821 -5.392 1.00 0.00 C ATOM 352 NH1 ARG A 23 -18.630 -10.739 -6.459 1.00 0.00 N ATOM 353 NH2 ARG A 23 -20.322 -11.822 -5.297 1.00 0.00 N ATOM 0 H ARG A 23 -15.917 -8.626 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.892 -10.409 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.711 -7.636 -3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.255 -8.071 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.531 -9.191 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.965 -10.330 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.601 -8.117 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.574 -8.156 -5.324 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.986 -9.995 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.956 -9.977 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.690 -11.439 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.936 -11.884 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.382 -12.522 -6.037 1.00 0.00 H new ATOM 367 N GLY A 24 -13.406 -9.699 -2.885 1.00 0.00 N ATOM 368 CA GLY A 24 -11.961 -9.588 -2.773 1.00 0.00 C ATOM 369 C GLY A 24 -11.303 -10.969 -2.774 1.00 0.00 C ATOM 370 O GLY A 24 -11.924 -11.956 -2.381 1.00 0.00 O ATOM 0 H GLY A 24 -13.732 -10.207 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.573 -8.996 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.703 -9.059 -1.855 1.00 0.00 H new ATOM 374 N GLY A 25 -10.056 -10.995 -3.219 1.00 0.00 N ATOM 375 CA GLY A 25 -9.307 -12.239 -3.275 1.00 0.00 C ATOM 376 C GLY A 25 -7.910 -12.066 -2.675 1.00 0.00 C ATOM 377 O GLY A 25 -6.962 -12.724 -3.100 1.00 0.00 O ATOM 0 H GLY A 25 -9.545 -10.174 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.846 -13.016 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.224 -12.571 -4.310 1.00 0.00 H new ATOM 381 N VAL A 26 -7.828 -11.177 -1.696 1.00 0.00 N ATOM 382 CA VAL A 26 -6.563 -10.909 -1.033 1.00 0.00 C ATOM 383 C VAL A 26 -6.825 -10.152 0.271 1.00 0.00 C ATOM 384 O VAL A 26 -6.743 -8.926 0.308 1.00 0.00 O ATOM 385 CB VAL A 26 -5.624 -10.159 -1.980 1.00 0.00 C ATOM 386 CG1 VAL A 26 -6.297 -8.905 -2.541 1.00 0.00 C ATOM 387 CG2 VAL A 26 -4.307 -9.810 -1.284 1.00 0.00 C ATOM 0 H VAL A 26 -8.617 -10.633 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.064 -11.842 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.396 -10.819 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.608 -8.391 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.194 -9.189 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.569 -8.241 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.658 -9.278 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.509 -9.178 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.815 -10.726 -0.957 1.00 0.00 H new ATOM 397 N PRO A 27 -7.144 -10.936 1.336 1.00 0.00 N ATOM 398 CA PRO A 27 -7.419 -10.353 2.638 1.00 0.00 C ATOM 399 C PRO A 27 -6.128 -9.895 3.318 1.00 0.00 C ATOM 400 O PRO A 27 -5.642 -10.547 4.240 1.00 0.00 O ATOM 401 CB PRO A 27 -8.144 -11.442 3.412 1.00 0.00 C ATOM 402 CG PRO A 27 -7.837 -12.742 2.686 1.00 0.00 C ATOM 403 CD PRO A 27 -7.251 -12.392 1.329 1.00 0.00 C ATOM 0 HA PRO A 27 -8.031 -9.453 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.801 -11.481 4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.217 -11.254 3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.134 -13.343 3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.743 -13.336 2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.277 -12.860 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.893 -12.738 0.519 1.00 0.00 H new ATOM 411 N SER A 28 -5.608 -8.775 2.836 1.00 0.00 N ATOM 412 CA SER A 28 -4.381 -8.222 3.385 1.00 0.00 C ATOM 413 C SER A 28 -4.163 -6.804 2.854 1.00 0.00 C ATOM 414 O SER A 28 -4.327 -5.831 3.588 1.00 0.00 O ATOM 415 CB SER A 28 -3.179 -9.106 3.048 1.00 0.00 C ATOM 416 OG SER A 28 -1.982 -8.637 3.663 1.00 0.00 O ATOM 0 H SER A 28 -6.014 -8.236 2.071 1.00 0.00 H new ATOM 0 HA SER A 28 -4.478 -8.186 4.470 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.378 -10.127 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.043 -9.137 1.967 1.00 0.00 H new ATOM 0 HG SER A 28 -1.238 -9.229 3.425 1.00 0.00 H new ATOM 422 N LEU A 29 -3.796 -6.732 1.583 1.00 0.00 N ATOM 423 CA LEU A 29 -3.554 -5.450 0.945 1.00 0.00 C ATOM 424 C LEU A 29 -4.636 -4.458 1.377 1.00 0.00 C ATOM 425 O LEU A 29 -4.332 -3.327 1.754 1.00 0.00 O ATOM 426 CB LEU A 29 -3.443 -5.618 -0.571 1.00 0.00 C ATOM 427 CG LEU A 29 -3.550 -4.334 -1.398 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.166 -3.835 -1.818 1.00 0.00 C ATOM 429 CD2 LEU A 29 -4.477 -4.532 -2.599 1.00 0.00 C ATOM 0 H LEU A 29 -3.660 -7.542 0.978 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.597 -5.039 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.488 -6.092 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.224 -6.304 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.994 -3.560 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.271 -2.922 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.568 -3.630 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.671 -4.598 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.536 -3.605 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.084 -5.326 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.472 -4.806 -2.249 1.00 0.00 H new ATOM 441 N ILE A 30 -5.876 -4.917 1.307 1.00 0.00 N ATOM 442 CA ILE A 30 -7.006 -4.085 1.685 1.00 0.00 C ATOM 443 C ILE A 30 -6.745 -3.475 3.064 1.00 0.00 C ATOM 444 O ILE A 30 -6.844 -2.262 3.239 1.00 0.00 O ATOM 445 CB ILE A 30 -8.310 -4.880 1.602 1.00 0.00 C ATOM 446 CG1 ILE A 30 -9.511 -4.002 1.957 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.242 -6.138 2.470 1.00 0.00 C ATOM 448 CD1 ILE A 30 -10.684 -4.268 1.011 1.00 0.00 C ATOM 0 H ILE A 30 -6.124 -5.856 0.994 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.120 -3.257 0.985 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.445 -5.208 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.817 -4.197 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.226 -2.951 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.182 -6.685 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.424 -6.772 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.071 -5.855 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.525 -3.631 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -10.382 -4.049 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.982 -5.314 1.086 1.00 0.00 H new ATOM 460 N ALA A 31 -6.416 -4.345 4.008 1.00 0.00 N ATOM 461 CA ALA A 31 -6.140 -3.908 5.366 1.00 0.00 C ATOM 462 C ALA A 31 -5.006 -2.881 5.346 1.00 0.00 C ATOM 463 O ALA A 31 -4.973 -1.971 6.172 1.00 0.00 O ATOM 464 CB ALA A 31 -5.812 -5.122 6.237 1.00 0.00 C ATOM 0 H ALA A 31 -6.334 -5.351 3.859 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.016 -3.424 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.605 -4.794 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.660 -5.806 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.937 -5.632 5.835 1.00 0.00 H new ATOM 470 N GLY A 32 -4.104 -3.061 4.392 1.00 0.00 N ATOM 471 CA GLY A 32 -2.971 -2.162 4.253 1.00 0.00 C ATOM 472 C GLY A 32 -3.415 -0.801 3.713 1.00 0.00 C ATOM 473 O GLY A 32 -2.799 0.221 4.013 1.00 0.00 O ATOM 0 H GLY A 32 -4.135 -3.817 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.484 -2.033 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.234 -2.601 3.581 1.00 0.00 H new ATOM 477 N LEU A 33 -4.481 -0.831 2.927 1.00 0.00 N ATOM 478 CA LEU A 33 -5.014 0.388 2.343 1.00 0.00 C ATOM 479 C LEU A 33 -5.786 1.165 3.411 1.00 0.00 C ATOM 480 O LEU A 33 -5.727 2.393 3.454 1.00 0.00 O ATOM 481 CB LEU A 33 -5.842 0.067 1.096 1.00 0.00 C ATOM 482 CG LEU A 33 -6.633 1.233 0.499 1.00 0.00 C ATOM 483 CD1 LEU A 33 -6.642 1.163 -1.030 1.00 0.00 C ATOM 484 CD2 LEU A 33 -8.048 1.289 1.078 1.00 0.00 C ATOM 0 H LEU A 33 -4.990 -1.680 2.681 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.204 1.033 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.172 -0.322 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.541 -0.732 1.344 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.135 2.162 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.211 2.003 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.619 1.208 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.103 0.228 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.589 2.126 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.571 0.360 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.994 1.421 2.159 1.00 0.00 H new ATOM 496 N PHE A 34 -6.493 0.418 4.246 1.00 0.00 N ATOM 497 CA PHE A 34 -7.275 1.021 5.311 1.00 0.00 C ATOM 498 C PHE A 34 -6.369 1.679 6.353 1.00 0.00 C ATOM 499 O PHE A 34 -6.525 2.860 6.660 1.00 0.00 O ATOM 500 CB PHE A 34 -8.065 -0.106 5.979 1.00 0.00 C ATOM 501 CG PHE A 34 -9.478 0.294 6.409 1.00 0.00 C ATOM 502 CD1 PHE A 34 -9.665 1.390 7.193 1.00 0.00 C ATOM 503 CD2 PHE A 34 -10.547 -0.445 6.008 1.00 0.00 C ATOM 504 CE1 PHE A 34 -10.976 1.761 7.592 1.00 0.00 C ATOM 505 CE2 PHE A 34 -11.858 -0.074 6.407 1.00 0.00 C ATOM 506 CZ PHE A 34 -12.045 1.022 7.191 1.00 0.00 C ATOM 0 H PHE A 34 -6.540 -0.600 4.206 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.930 1.790 4.901 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.131 -0.948 5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.515 -0.453 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.817 1.977 7.512 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.398 -1.315 5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.125 2.631 8.215 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.706 -0.661 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.042 1.305 7.495 1.00 0.00 H new ATOM 516 N VAL A 35 -5.440 0.886 6.867 1.00 0.00 N ATOM 517 CA VAL A 35 -4.508 1.377 7.868 1.00 0.00 C ATOM 518 C VAL A 35 -3.548 2.376 7.219 1.00 0.00 C ATOM 519 O VAL A 35 -3.143 3.352 7.849 1.00 0.00 O ATOM 520 CB VAL A 35 -3.788 0.202 8.533 1.00 0.00 C ATOM 521 CG1 VAL A 35 -4.767 -0.658 9.335 1.00 0.00 C ATOM 522 CG2 VAL A 35 -3.039 -0.639 7.498 1.00 0.00 C ATOM 0 H VAL A 35 -5.313 -0.093 6.609 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.040 1.905 8.659 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.053 0.609 9.228 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.230 -1.486 9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.234 -0.051 10.110 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.536 -1.051 8.670 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.536 -1.467 7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.746 -1.031 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.300 -0.019 6.991 1.00 0.00 H new ATOM 532 N GLY A 36 -3.213 2.098 5.967 1.00 0.00 N ATOM 533 CA GLY A 36 -2.309 2.961 5.226 1.00 0.00 C ATOM 534 C GLY A 36 -2.970 4.303 4.906 1.00 0.00 C ATOM 535 O GLY A 36 -2.292 5.323 4.800 1.00 0.00 O ATOM 0 H GLY A 36 -3.551 1.288 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.402 3.128 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.009 2.470 4.300 1.00 0.00 H new ATOM 539 N CYS A 37 -4.286 4.258 4.760 1.00 0.00 N ATOM 540 CA CYS A 37 -5.047 5.458 4.454 1.00 0.00 C ATOM 541 C CYS A 37 -5.235 6.250 5.749 1.00 0.00 C ATOM 542 O CYS A 37 -5.125 7.476 5.753 1.00 0.00 O ATOM 543 CB CYS A 37 -6.384 5.126 3.789 1.00 0.00 C ATOM 544 SG CYS A 37 -6.164 4.989 1.977 1.00 0.00 S ATOM 0 H CYS A 37 -4.845 3.409 4.848 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.499 6.065 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.776 4.190 4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.116 5.901 4.017 1.00 0.00 H new ATOM 0 HG CYS A 37 -7.304 4.705 1.422 1.00 0.00 H new ATOM 550 N LEU A 38 -5.515 5.519 6.818 1.00 0.00 N ATOM 551 CA LEU A 38 -5.719 6.138 8.116 1.00 0.00 C ATOM 552 C LEU A 38 -4.417 6.800 8.571 1.00 0.00 C ATOM 553 O LEU A 38 -4.375 8.010 8.791 1.00 0.00 O ATOM 554 CB LEU A 38 -6.274 5.120 9.114 1.00 0.00 C ATOM 555 CG LEU A 38 -7.001 5.699 10.330 1.00 0.00 C ATOM 556 CD1 LEU A 38 -6.138 6.747 11.037 1.00 0.00 C ATOM 557 CD2 LEU A 38 -8.370 6.256 9.935 1.00 0.00 C ATOM 0 H LEU A 38 -5.605 4.503 6.811 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.470 6.925 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.962 4.460 8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.449 4.502 9.469 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.174 4.892 11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.678 7.143 11.897 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.208 6.287 11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.912 7.559 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.866 6.661 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.242 7.046 9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.979 5.458 9.511 1.00 0.00 H new ATOM 569 N ALA A 39 -3.386 5.978 8.700 1.00 0.00 N ATOM 570 CA ALA A 39 -2.086 6.468 9.125 1.00 0.00 C ATOM 571 C ALA A 39 -1.561 7.468 8.093 1.00 0.00 C ATOM 572 O ALA A 39 -1.066 8.535 8.453 1.00 0.00 O ATOM 573 CB ALA A 39 -1.136 5.287 9.328 1.00 0.00 C ATOM 0 H ALA A 39 -3.425 4.975 8.518 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.166 6.989 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.161 5.655 9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.540 4.622 10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.029 4.741 8.391 1.00 0.00 H new ATOM 579 N GLY A 40 -1.686 7.088 6.830 1.00 0.00 N ATOM 580 CA GLY A 40 -1.230 7.938 5.743 1.00 0.00 C ATOM 581 C GLY A 40 -1.979 9.273 5.740 1.00 0.00 C ATOM 582 O GLY A 40 -1.458 10.282 6.212 1.00 0.00 O ATOM 0 H GLY A 40 -2.097 6.202 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.159 8.118 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.382 7.430 4.791 1.00 0.00 H new ATOM 586 N TYR A 41 -3.189 9.234 5.203 1.00 0.00 N ATOM 587 CA TYR A 41 -4.015 10.428 5.132 1.00 0.00 C ATOM 588 C TYR A 41 -3.946 11.220 6.439 1.00 0.00 C ATOM 589 O TYR A 41 -3.627 12.408 6.433 1.00 0.00 O ATOM 590 CB TYR A 41 -5.449 9.937 4.921 1.00 0.00 C ATOM 591 CG TYR A 41 -6.383 10.987 4.317 1.00 0.00 C ATOM 592 CD1 TYR A 41 -6.131 11.493 3.058 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.478 11.429 5.032 1.00 0.00 C ATOM 594 CE1 TYR A 41 -7.011 12.481 2.490 1.00 0.00 C ATOM 595 CE2 TYR A 41 -8.358 12.417 4.463 1.00 0.00 C ATOM 596 CZ TYR A 41 -8.081 12.894 3.220 1.00 0.00 C ATOM 597 OH TYR A 41 -8.912 13.828 2.684 1.00 0.00 O ATOM 0 H TYR A 41 -3.618 8.395 4.813 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.676 11.083 4.329 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.431 9.064 4.269 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.855 9.612 5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.274 11.148 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.675 11.034 6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.825 12.885 1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.219 12.771 5.011 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.633 14.026 3.317 1.00 0.00 H new ATOM 607 N GLY A 42 -4.251 10.531 7.528 1.00 0.00 N ATOM 608 CA GLY A 42 -4.228 11.156 8.840 1.00 0.00 C ATOM 609 C GLY A 42 -2.887 11.845 9.096 1.00 0.00 C ATOM 610 O GLY A 42 -2.847 13.017 9.467 1.00 0.00 O ATOM 0 H GLY A 42 -4.515 9.546 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.035 11.885 8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.407 10.404 9.608 1.00 0.00 H new ATOM 614 N ALA A 43 -1.820 11.087 8.887 1.00 0.00 N ATOM 615 CA ALA A 43 -0.479 11.611 9.091 1.00 0.00 C ATOM 616 C ALA A 43 -0.317 12.907 8.295 1.00 0.00 C ATOM 617 O ALA A 43 0.414 13.806 8.710 1.00 0.00 O ATOM 618 CB ALA A 43 0.549 10.550 8.692 1.00 0.00 C ATOM 0 H ALA A 43 -1.856 10.115 8.579 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.314 11.846 10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.555 10.942 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.410 9.660 9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.416 10.291 7.641 1.00 0.00 H new ATOM 624 N TYR A 44 -1.009 12.963 7.167 1.00 0.00 N ATOM 625 CA TYR A 44 -0.951 14.135 6.311 1.00 0.00 C ATOM 626 C TYR A 44 -1.914 15.220 6.798 1.00 0.00 C ATOM 627 O TYR A 44 -1.674 16.408 6.590 1.00 0.00 O ATOM 628 CB TYR A 44 -1.391 13.666 4.923 1.00 0.00 C ATOM 629 CG TYR A 44 -2.136 14.729 4.113 1.00 0.00 C ATOM 630 CD1 TYR A 44 -3.453 15.021 4.405 1.00 0.00 C ATOM 631 CD2 TYR A 44 -1.491 15.396 3.091 1.00 0.00 C ATOM 632 CE1 TYR A 44 -4.154 16.022 3.642 1.00 0.00 C ATOM 633 CE2 TYR A 44 -2.192 16.396 2.330 1.00 0.00 C ATOM 634 CZ TYR A 44 -3.489 16.660 2.643 1.00 0.00 C ATOM 635 OH TYR A 44 -4.151 17.605 1.923 1.00 0.00 O ATOM 0 H TYR A 44 -1.613 12.215 6.826 1.00 0.00 H new ATOM 0 HA TYR A 44 0.053 14.559 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.512 13.348 4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.033 12.792 5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.958 14.499 5.205 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.460 15.167 2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.185 16.260 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.699 16.925 1.528 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.551 17.978 1.243 1.00 0.00 H new ATOM 645 N ARG A 45 -2.984 14.772 7.438 1.00 0.00 N ATOM 646 CA ARG A 45 -3.984 15.689 7.957 1.00 0.00 C ATOM 647 C ARG A 45 -3.548 16.236 9.318 1.00 0.00 C ATOM 648 O ARG A 45 -3.404 17.445 9.487 1.00 0.00 O ATOM 649 CB ARG A 45 -5.342 14.998 8.104 1.00 0.00 C ATOM 650 CG ARG A 45 -6.485 15.958 7.770 1.00 0.00 C ATOM 651 CD ARG A 45 -7.836 15.243 7.827 1.00 0.00 C ATOM 652 NE ARG A 45 -8.705 15.883 8.841 1.00 0.00 N ATOM 653 CZ ARG A 45 -8.661 15.604 10.151 1.00 0.00 C ATOM 654 NH1 ARG A 45 -7.792 14.697 10.614 1.00 0.00 N ATOM 655 NH2 ARG A 45 -9.488 16.234 10.997 1.00 0.00 N ATOM 0 H ARG A 45 -3.180 13.786 7.609 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.082 16.510 7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.386 14.131 7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.458 14.629 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.481 16.792 8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.333 16.378 6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.317 15.278 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.690 14.191 8.073 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.379 16.579 8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.163 14.218 9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.759 14.485 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.150 16.925 10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.455 16.022 11.994 1.00 0.00 H new ATOM 669 N VAL A 46 -3.350 15.318 10.253 1.00 0.00 N ATOM 670 CA VAL A 46 -2.934 15.693 11.593 1.00 0.00 C ATOM 671 C VAL A 46 -1.711 16.608 11.505 1.00 0.00 C ATOM 672 O VAL A 46 -1.536 17.498 12.335 1.00 0.00 O ATOM 673 CB VAL A 46 -2.683 14.439 12.433 1.00 0.00 C ATOM 674 CG1 VAL A 46 -3.900 13.512 12.411 1.00 0.00 C ATOM 675 CG2 VAL A 46 -1.426 13.705 11.962 1.00 0.00 C ATOM 0 H VAL A 46 -3.470 14.315 10.109 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.723 16.252 12.096 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.520 14.754 13.464 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.695 12.628 13.016 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.765 14.037 12.817 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.108 13.209 11.385 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.271 12.818 12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.547 13.409 10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.563 14.365 12.054 1.00 0.00 H new ATOM 685 N SER A 47 -0.895 16.357 10.491 1.00 0.00 N ATOM 686 CA SER A 47 0.306 17.147 10.284 1.00 0.00 C ATOM 687 C SER A 47 0.847 16.916 8.871 1.00 0.00 C ATOM 688 O SER A 47 0.274 16.147 8.101 1.00 0.00 O ATOM 689 CB SER A 47 1.376 16.806 11.324 1.00 0.00 C ATOM 690 OG SER A 47 1.918 15.503 11.124 1.00 0.00 O ATOM 0 H SER A 47 -1.043 15.617 9.804 1.00 0.00 H new ATOM 0 HA SER A 47 0.047 18.199 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.177 17.543 11.275 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.944 16.870 12.323 1.00 0.00 H new ATOM 0 HG SER A 47 2.598 15.323 11.806 1.00 0.00 H new ATOM 696 N ASN A 48 1.944 17.597 8.574 1.00 0.00 N ATOM 697 CA ASN A 48 2.568 17.476 7.267 1.00 0.00 C ATOM 698 C ASN A 48 1.528 17.759 6.181 1.00 0.00 C ATOM 699 O ASN A 48 0.841 16.848 5.722 1.00 0.00 O ATOM 700 CB ASN A 48 3.111 16.063 7.045 1.00 0.00 C ATOM 701 CG ASN A 48 4.603 15.991 7.374 1.00 0.00 C ATOM 702 OD1 ASN A 48 5.039 15.250 8.240 1.00 0.00 O ATOM 703 ND2 ASN A 48 5.360 16.800 6.638 1.00 0.00 N ATOM 0 H ASN A 48 2.417 18.234 9.215 1.00 0.00 H new ATOM 0 HA ASN A 48 3.390 18.190 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.563 15.357 7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.949 15.766 6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.369 16.825 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.931 17.395 5.929 1.00 0.00 H new ATOM 710 N ASP A 49 1.444 19.026 5.803 1.00 0.00 N ATOM 711 CA ASP A 49 0.499 19.440 4.780 1.00 0.00 C ATOM 712 C ASP A 49 0.626 18.514 3.569 1.00 0.00 C ATOM 713 O ASP A 49 -0.377 18.039 3.039 1.00 0.00 O ATOM 714 CB ASP A 49 0.783 20.870 4.314 1.00 0.00 C ATOM 715 CG ASP A 49 0.717 21.933 5.411 1.00 0.00 C ATOM 716 OD1 ASP A 49 -0.158 21.892 6.289 1.00 0.00 O ATOM 717 OD2 ASP A 49 1.625 22.847 5.341 1.00 0.00 O ATOM 0 H ASP A 49 2.015 19.779 6.187 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.503 19.392 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.774 20.898 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.068 21.130 3.533 1.00 0.00 H new ATOM 780 N VAL A 53 5.846 12.304 -1.585 1.00 0.00 N ATOM 781 CA VAL A 53 5.558 10.886 -1.451 1.00 0.00 C ATOM 782 C VAL A 53 6.482 10.280 -0.393 1.00 0.00 C ATOM 783 O VAL A 53 7.157 9.284 -0.650 1.00 0.00 O ATOM 784 CB VAL A 53 5.676 10.198 -2.813 1.00 0.00 C ATOM 785 CG1 VAL A 53 5.384 8.700 -2.697 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.757 10.858 -3.842 1.00 0.00 C ATOM 0 HA VAL A 53 4.533 10.734 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 53 6.703 10.313 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.475 8.235 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.097 8.242 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.372 8.555 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.860 10.350 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.723 10.788 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.032 11.907 -3.956 1.00 0.00 H new ATOM 796 N LYS A 54 6.482 10.906 0.775 1.00 0.00 N ATOM 797 CA LYS A 54 7.311 10.440 1.873 1.00 0.00 C ATOM 798 C LYS A 54 6.569 9.343 2.639 1.00 0.00 C ATOM 799 O LYS A 54 7.034 8.207 2.710 1.00 0.00 O ATOM 800 CB LYS A 54 7.746 11.616 2.751 1.00 0.00 C ATOM 801 CG LYS A 54 9.264 11.625 2.942 1.00 0.00 C ATOM 802 CD LYS A 54 9.930 12.625 1.995 1.00 0.00 C ATOM 803 CE LYS A 54 11.187 12.027 1.361 1.00 0.00 C ATOM 804 NZ LYS A 54 12.388 12.787 1.774 1.00 0.00 N ATOM 0 H LYS A 54 5.921 11.732 0.984 1.00 0.00 H new ATOM 0 HA LYS A 54 8.231 9.996 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.428 12.553 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.254 11.551 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.503 11.882 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.663 10.627 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.227 12.915 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.190 13.531 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.290 10.983 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.096 12.042 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.232 12.368 1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.294 13.777 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.482 12.751 2.809 1.00 0.00 H new ATOM 818 N VAL A 55 5.426 9.722 3.192 1.00 0.00 N ATOM 819 CA VAL A 55 4.614 8.784 3.949 1.00 0.00 C ATOM 820 C VAL A 55 4.607 7.431 3.236 1.00 0.00 C ATOM 821 O VAL A 55 4.901 6.403 3.844 1.00 0.00 O ATOM 822 CB VAL A 55 3.211 9.357 4.158 1.00 0.00 C ATOM 823 CG1 VAL A 55 3.243 10.549 5.118 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.572 9.744 2.823 1.00 0.00 C ATOM 0 H VAL A 55 5.043 10.665 3.131 1.00 0.00 H new ATOM 0 HA VAL A 55 5.037 8.626 4.941 1.00 0.00 H new ATOM 0 HB VAL A 55 2.595 8.579 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.233 10.938 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.637 10.229 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.882 11.330 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.575 10.148 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.187 10.497 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.498 8.863 2.186 1.00 0.00 H new ATOM 834 N SER A 56 4.267 7.474 1.956 1.00 0.00 N ATOM 835 CA SER A 56 4.218 6.264 1.153 1.00 0.00 C ATOM 836 C SER A 56 5.493 5.445 1.363 1.00 0.00 C ATOM 837 O SER A 56 5.428 4.249 1.646 1.00 0.00 O ATOM 838 CB SER A 56 4.037 6.593 -0.330 1.00 0.00 C ATOM 839 OG SER A 56 3.197 5.649 -0.988 1.00 0.00 O ATOM 0 H SER A 56 4.023 8.328 1.455 1.00 0.00 H new ATOM 0 HA SER A 56 3.358 5.676 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.609 7.591 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.011 6.613 -0.818 1.00 0.00 H new ATOM 0 HG SER A 56 3.105 5.895 -1.932 1.00 0.00 H new ATOM 845 N LEU A 57 6.623 6.120 1.215 1.00 0.00 N ATOM 846 CA LEU A 57 7.911 5.469 1.384 1.00 0.00 C ATOM 847 C LEU A 57 7.967 4.810 2.764 1.00 0.00 C ATOM 848 O LEU A 57 8.523 3.723 2.914 1.00 0.00 O ATOM 849 CB LEU A 57 9.049 6.460 1.129 1.00 0.00 C ATOM 850 CG LEU A 57 10.076 6.045 0.073 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.808 7.265 -0.489 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.045 5.001 0.631 1.00 0.00 C ATOM 0 H LEU A 57 6.674 7.111 0.980 1.00 0.00 H new ATOM 0 HA LEU A 57 8.038 4.677 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.614 7.413 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.573 6.631 2.069 1.00 0.00 H new ATOM 0 HG LEU A 57 9.544 5.579 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.532 6.942 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.088 7.941 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.327 7.782 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.764 4.723 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.574 5.417 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.488 4.117 0.943 1.00 0.00 H new ATOM 864 N PHE A 58 7.385 5.496 3.736 1.00 0.00 N ATOM 865 CA PHE A 58 7.361 4.991 5.098 1.00 0.00 C ATOM 866 C PHE A 58 6.460 3.759 5.211 1.00 0.00 C ATOM 867 O PHE A 58 6.687 2.894 6.055 1.00 0.00 O ATOM 868 CB PHE A 58 6.794 6.105 5.979 1.00 0.00 C ATOM 869 CG PHE A 58 7.317 6.089 7.417 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.653 6.009 7.654 1.00 0.00 C ATOM 871 CD2 PHE A 58 6.444 6.154 8.458 1.00 0.00 C ATOM 872 CE1 PHE A 58 9.138 5.993 8.989 1.00 0.00 C ATOM 873 CE2 PHE A 58 6.929 6.139 9.793 1.00 0.00 C ATOM 874 CZ PHE A 58 8.266 6.059 10.030 1.00 0.00 C ATOM 0 H PHE A 58 6.926 6.398 3.607 1.00 0.00 H new ATOM 0 HA PHE A 58 8.366 4.702 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.032 7.068 5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.707 6.022 5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.346 5.958 6.827 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.382 6.217 8.270 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.200 5.928 9.177 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.236 6.191 10.620 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.635 6.048 11.045 1.00 0.00 H new ATOM 884 N THR A 59 5.456 3.720 4.347 1.00 0.00 N ATOM 885 CA THR A 59 4.519 2.609 4.339 1.00 0.00 C ATOM 886 C THR A 59 5.170 1.367 3.727 1.00 0.00 C ATOM 887 O THR A 59 5.044 0.267 4.264 1.00 0.00 O ATOM 888 CB THR A 59 3.257 3.060 3.601 1.00 0.00 C ATOM 889 OG1 THR A 59 2.651 3.995 4.489 1.00 0.00 O ATOM 890 CG2 THR A 59 2.222 1.941 3.474 1.00 0.00 C ATOM 0 H THR A 59 5.271 4.439 3.648 1.00 0.00 H new ATOM 0 HA THR A 59 4.236 2.323 5.352 1.00 0.00 H new ATOM 0 HB THR A 59 3.526 3.419 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.826 4.339 4.088 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.346 2.314 2.943 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.654 1.107 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.927 1.604 4.468 1.00 0.00 H new ATOM 898 N ALA A 60 5.852 1.584 2.612 1.00 0.00 N ATOM 899 CA ALA A 60 6.523 0.496 1.921 1.00 0.00 C ATOM 900 C ALA A 60 7.627 -0.068 2.818 1.00 0.00 C ATOM 901 O ALA A 60 7.829 -1.280 2.872 1.00 0.00 O ATOM 902 CB ALA A 60 7.060 0.998 0.579 1.00 0.00 C ATOM 0 H ALA A 60 5.954 2.497 2.170 1.00 0.00 H new ATOM 0 HA ALA A 60 5.825 -0.314 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.563 0.182 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.233 1.360 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.767 1.810 0.751 1.00 0.00 H new ATOM 908 N PHE A 61 8.312 0.839 3.499 1.00 0.00 N ATOM 909 CA PHE A 61 9.391 0.447 4.390 1.00 0.00 C ATOM 910 C PHE A 61 8.860 -0.379 5.564 1.00 0.00 C ATOM 911 O PHE A 61 9.388 -1.449 5.863 1.00 0.00 O ATOM 912 CB PHE A 61 10.015 1.735 4.931 1.00 0.00 C ATOM 913 CG PHE A 61 11.516 1.631 5.208 1.00 0.00 C ATOM 914 CD1 PHE A 61 11.956 1.133 6.394 1.00 0.00 C ATOM 915 CD2 PHE A 61 12.411 2.037 4.267 1.00 0.00 C ATOM 916 CE1 PHE A 61 13.349 1.036 6.651 1.00 0.00 C ATOM 917 CE2 PHE A 61 13.804 1.940 4.524 1.00 0.00 C ATOM 918 CZ PHE A 61 14.244 1.441 5.711 1.00 0.00 C ATOM 0 H PHE A 61 8.141 1.843 3.452 1.00 0.00 H new ATOM 0 HA PHE A 61 10.116 -0.162 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.843 2.539 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.504 2.015 5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.246 0.811 7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.062 2.433 3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.698 0.640 7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 61 14.515 2.262 3.777 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.304 1.367 5.906 1.00 0.00 H new ATOM 928 N PHE A 62 7.821 0.148 6.195 1.00 0.00 N ATOM 929 CA PHE A 62 7.213 -0.527 7.329 1.00 0.00 C ATOM 930 C PHE A 62 6.707 -1.915 6.933 1.00 0.00 C ATOM 931 O PHE A 62 6.882 -2.879 7.677 1.00 0.00 O ATOM 932 CB PHE A 62 6.025 0.328 7.774 1.00 0.00 C ATOM 933 CG PHE A 62 5.658 0.162 9.250 1.00 0.00 C ATOM 934 CD1 PHE A 62 6.529 0.558 10.217 1.00 0.00 C ATOM 935 CD2 PHE A 62 4.459 -0.380 9.596 1.00 0.00 C ATOM 936 CE1 PHE A 62 6.188 0.404 11.586 1.00 0.00 C ATOM 937 CE2 PHE A 62 4.118 -0.534 10.966 1.00 0.00 C ATOM 938 CZ PHE A 62 4.990 -0.139 11.932 1.00 0.00 C ATOM 0 H PHE A 62 7.385 1.035 5.942 1.00 0.00 H new ATOM 0 HA PHE A 62 7.946 -0.650 8.126 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.253 1.377 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.158 0.074 7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.480 0.990 9.943 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.766 -0.693 8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.880 0.718 12.353 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.166 -0.965 11.241 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.731 -0.257 12.974 1.00 0.00 H new ATOM 948 N LEU A 63 6.089 -1.973 5.762 1.00 0.00 N ATOM 949 CA LEU A 63 5.556 -3.227 5.258 1.00 0.00 C ATOM 950 C LEU A 63 6.698 -4.232 5.092 1.00 0.00 C ATOM 951 O LEU A 63 6.680 -5.303 5.697 1.00 0.00 O ATOM 952 CB LEU A 63 4.753 -2.992 3.977 1.00 0.00 C ATOM 953 CG LEU A 63 3.277 -3.393 4.027 1.00 0.00 C ATOM 954 CD1 LEU A 63 2.440 -2.522 3.089 1.00 0.00 C ATOM 955 CD2 LEU A 63 3.105 -4.885 3.731 1.00 0.00 C ATOM 0 H LEU A 63 5.946 -1.171 5.148 1.00 0.00 H new ATOM 0 HA LEU A 63 4.854 -3.657 5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.813 -1.934 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.231 -3.542 3.166 1.00 0.00 H new ATOM 0 HG LEU A 63 2.910 -3.220 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.395 -2.828 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.528 -1.477 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.799 -2.639 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.047 -5.145 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.494 -5.106 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.651 -5.468 4.472 1.00 0.00 H new ATOM 967 N ALA A 64 7.664 -3.851 4.270 1.00 0.00 N ATOM 968 CA ALA A 64 8.812 -4.705 4.017 1.00 0.00 C ATOM 969 C ALA A 64 9.392 -5.180 5.350 1.00 0.00 C ATOM 970 O ALA A 64 9.530 -6.380 5.579 1.00 0.00 O ATOM 971 CB ALA A 64 9.837 -3.946 3.172 1.00 0.00 C ATOM 0 H ALA A 64 7.676 -2.962 3.770 1.00 0.00 H new ATOM 0 HA ALA A 64 8.516 -5.589 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.698 -4.587 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.384 -3.657 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.160 -3.053 3.707 1.00 0.00 H new ATOM 977 N THR A 65 9.718 -4.213 6.196 1.00 0.00 N ATOM 978 CA THR A 65 10.280 -4.517 7.500 1.00 0.00 C ATOM 979 C THR A 65 9.352 -5.454 8.276 1.00 0.00 C ATOM 980 O THR A 65 9.810 -6.252 9.092 1.00 0.00 O ATOM 981 CB THR A 65 10.547 -3.194 8.220 1.00 0.00 C ATOM 982 OG1 THR A 65 11.790 -3.405 8.885 1.00 0.00 O ATOM 983 CG2 THR A 65 9.556 -2.935 9.357 1.00 0.00 C ATOM 0 H THR A 65 9.603 -3.218 6.003 1.00 0.00 H new ATOM 0 HA THR A 65 11.226 -5.051 7.408 1.00 0.00 H new ATOM 0 HB THR A 65 10.499 -2.375 7.503 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.040 -2.595 9.376 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.790 -1.984 9.834 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.543 -2.900 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.628 -3.737 10.092 1.00 0.00 H new ATOM 991 N ILE A 66 8.064 -5.327 7.993 1.00 0.00 N ATOM 992 CA ILE A 66 7.067 -6.153 8.653 1.00 0.00 C ATOM 993 C ILE A 66 7.152 -7.580 8.110 1.00 0.00 C ATOM 994 O ILE A 66 6.891 -8.540 8.833 1.00 0.00 O ATOM 995 CB ILE A 66 5.678 -5.525 8.520 1.00 0.00 C ATOM 996 CG1 ILE A 66 5.387 -4.585 9.691 1.00 0.00 C ATOM 997 CG2 ILE A 66 4.603 -6.603 8.369 1.00 0.00 C ATOM 998 CD1 ILE A 66 4.799 -3.261 9.198 1.00 0.00 C ATOM 0 H ILE A 66 7.688 -4.664 7.315 1.00 0.00 H new ATOM 0 HA ILE A 66 7.265 -6.207 9.723 1.00 0.00 H new ATOM 0 HB ILE A 66 5.660 -4.922 7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.691 -5.062 10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.305 -4.395 10.246 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.625 -6.131 8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.806 -7.196 7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.612 -7.251 9.246 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.601 -2.611 10.050 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.508 -2.775 8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.868 -3.453 8.664 1.00 0.00 H new ATOM 1010 N MET A 67 7.519 -7.675 6.840 1.00 0.00 N ATOM 1011 CA MET A 67 7.642 -8.969 6.191 1.00 0.00 C ATOM 1012 C MET A 67 9.023 -9.578 6.440 1.00 0.00 C ATOM 1013 O MET A 67 9.147 -10.578 7.146 1.00 0.00 O ATOM 1014 CB MET A 67 7.417 -8.809 4.686 1.00 0.00 C ATOM 1015 CG MET A 67 6.529 -9.930 4.142 1.00 0.00 C ATOM 1016 SD MET A 67 4.836 -9.662 4.639 1.00 0.00 S ATOM 1017 CE MET A 67 4.168 -11.293 4.358 1.00 0.00 C ATOM 0 H MET A 67 7.735 -6.876 6.243 1.00 0.00 H new ATOM 0 HA MET A 67 6.890 -9.638 6.610 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.954 -7.843 4.485 1.00 0.00 H new ATOM 0 HB3 MET A 67 8.376 -8.817 4.168 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.597 -9.964 3.055 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.877 -10.894 4.513 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.110 -11.303 4.620 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.284 -11.558 3.307 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.701 -12.016 4.975 1.00 0.00 H new ATOM 1027 N GLY A 68 10.027 -8.951 5.845 1.00 0.00 N ATOM 1028 CA GLY A 68 11.395 -9.418 5.993 1.00 0.00 C ATOM 1029 C GLY A 68 11.832 -10.231 4.772 1.00 0.00 C ATOM 1030 O GLY A 68 12.338 -11.343 4.911 1.00 0.00 O ATOM 0 H GLY A 68 9.920 -8.123 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.062 -8.566 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.479 -10.030 6.891 1.00 0.00 H new ATOM 1231 N PRO A 79 9.324 -8.922 -2.849 1.00 0.00 N ATOM 1232 CA PRO A 79 7.934 -9.022 -3.258 1.00 0.00 C ATOM 1233 C PRO A 79 7.635 -8.074 -4.421 1.00 0.00 C ATOM 1234 O PRO A 79 7.720 -6.856 -4.273 1.00 0.00 O ATOM 1235 CB PRO A 79 7.132 -8.699 -2.008 1.00 0.00 C ATOM 1236 CG PRO A 79 8.090 -7.979 -1.072 1.00 0.00 C ATOM 1237 CD PRO A 79 9.501 -8.187 -1.600 1.00 0.00 C ATOM 0 HA PRO A 79 7.677 -10.012 -3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.273 -8.071 -2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.745 -9.608 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.852 -6.916 -1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.000 -8.370 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.005 -7.235 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 79 10.110 -8.749 -0.892 1.00 0.00 H new ATOM 1245 N ALA A 80 7.289 -8.669 -5.554 1.00 0.00 N ATOM 1246 CA ALA A 80 6.977 -7.894 -6.742 1.00 0.00 C ATOM 1247 C ALA A 80 5.672 -7.128 -6.517 1.00 0.00 C ATOM 1248 O ALA A 80 5.644 -5.902 -6.610 1.00 0.00 O ATOM 1249 CB ALA A 80 6.906 -8.823 -7.955 1.00 0.00 C ATOM 0 H ALA A 80 7.218 -9.679 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 80 7.760 -7.162 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.672 -8.241 -8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.866 -9.321 -8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.129 -9.571 -7.796 1.00 0.00 H new ATOM 1255 N GLY A 81 4.622 -7.883 -6.226 1.00 0.00 N ATOM 1256 CA GLY A 81 3.317 -7.290 -5.987 1.00 0.00 C ATOM 1257 C GLY A 81 3.440 -6.009 -5.161 1.00 0.00 C ATOM 1258 O GLY A 81 2.886 -4.974 -5.528 1.00 0.00 O ATOM 0 H GLY A 81 4.649 -8.900 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.835 -7.068 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.679 -8.004 -5.465 1.00 0.00 H new ATOM 1262 N LEU A 82 4.169 -6.120 -4.060 1.00 0.00 N ATOM 1263 CA LEU A 82 4.371 -4.983 -3.179 1.00 0.00 C ATOM 1264 C LEU A 82 4.826 -3.777 -4.004 1.00 0.00 C ATOM 1265 O LEU A 82 4.261 -2.691 -3.887 1.00 0.00 O ATOM 1266 CB LEU A 82 5.330 -5.348 -2.044 1.00 0.00 C ATOM 1267 CG LEU A 82 5.208 -4.514 -0.767 1.00 0.00 C ATOM 1268 CD1 LEU A 82 5.789 -3.113 -0.969 1.00 0.00 C ATOM 1269 CD2 LEU A 82 3.758 -4.468 -0.279 1.00 0.00 C ATOM 0 H LEU A 82 4.627 -6.980 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 82 3.434 -4.704 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.174 -6.396 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.351 -5.260 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 82 5.796 -4.997 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.689 -2.541 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.843 -3.191 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.249 -2.607 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.699 -3.869 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.129 -4.022 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.412 -5.480 -0.070 1.00 0.00 H new ATOM 1281 N VAL A 83 5.843 -4.010 -4.821 1.00 0.00 N ATOM 1282 CA VAL A 83 6.381 -2.957 -5.666 1.00 0.00 C ATOM 1283 C VAL A 83 5.271 -2.420 -6.572 1.00 0.00 C ATOM 1284 O VAL A 83 5.244 -1.232 -6.890 1.00 0.00 O ATOM 1285 CB VAL A 83 7.590 -3.477 -6.445 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.063 -2.449 -7.474 1.00 0.00 C ATOM 1287 CG2 VAL A 83 8.726 -3.868 -5.498 1.00 0.00 C ATOM 0 H VAL A 83 6.309 -4.913 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 83 6.737 -2.124 -5.059 1.00 0.00 H new ATOM 0 HB VAL A 83 7.281 -4.372 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.924 -2.844 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.257 -2.241 -8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.346 -1.528 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.573 -4.234 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.032 -2.997 -4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.383 -4.651 -4.822 1.00 0.00 H new ATOM 1297 N ALA A 84 4.382 -3.322 -6.964 1.00 0.00 N ATOM 1298 CA ALA A 84 3.274 -2.954 -7.827 1.00 0.00 C ATOM 1299 C ALA A 84 2.303 -2.061 -7.052 1.00 0.00 C ATOM 1300 O ALA A 84 1.632 -1.212 -7.636 1.00 0.00 O ATOM 1301 CB ALA A 84 2.601 -4.220 -8.362 1.00 0.00 C ATOM 0 H ALA A 84 4.408 -4.307 -6.699 1.00 0.00 H new ATOM 0 HA ALA A 84 3.630 -2.386 -8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.769 -3.944 -9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.325 -4.805 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.229 -4.815 -7.528 1.00 0.00 H new ATOM 1307 N GLY A 85 2.259 -2.284 -5.746 1.00 0.00 N ATOM 1308 CA GLY A 85 1.382 -1.510 -4.884 1.00 0.00 C ATOM 1309 C GLY A 85 1.939 -0.104 -4.654 1.00 0.00 C ATOM 1310 O GLY A 85 1.230 0.885 -4.830 1.00 0.00 O ATOM 0 H GLY A 85 2.816 -2.989 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.391 -1.443 -5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.265 -2.019 -3.927 1.00 0.00 H new ATOM 1314 N LEU A 86 3.205 -0.060 -4.265 1.00 0.00 N ATOM 1315 CA LEU A 86 3.865 1.208 -4.009 1.00 0.00 C ATOM 1316 C LEU A 86 3.799 2.076 -5.268 1.00 0.00 C ATOM 1317 O LEU A 86 3.531 3.274 -5.187 1.00 0.00 O ATOM 1318 CB LEU A 86 5.288 0.978 -3.495 1.00 0.00 C ATOM 1319 CG LEU A 86 5.933 2.151 -2.756 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.371 3.242 -3.735 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.000 2.695 -1.672 1.00 0.00 C ATOM 0 H LEU A 86 3.791 -0.883 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 86 3.349 1.752 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.277 0.116 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.921 0.716 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 86 6.831 1.788 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.826 4.064 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.096 2.831 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.503 3.609 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.482 3.528 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.072 3.038 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.780 1.907 -0.952 1.00 0.00 H new ATOM 1333 N SER A 87 4.048 1.437 -6.402 1.00 0.00 N ATOM 1334 CA SER A 87 4.020 2.135 -7.676 1.00 0.00 C ATOM 1335 C SER A 87 2.612 2.666 -7.950 1.00 0.00 C ATOM 1336 O SER A 87 2.426 3.865 -8.157 1.00 0.00 O ATOM 1337 CB SER A 87 4.475 1.221 -8.815 1.00 0.00 C ATOM 1338 OG SER A 87 5.811 1.501 -9.224 1.00 0.00 O ATOM 0 H SER A 87 4.270 0.443 -6.465 1.00 0.00 H new ATOM 0 HA SER A 87 4.713 2.974 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.404 0.181 -8.496 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.803 1.340 -9.665 1.00 0.00 H new ATOM 0 HG SER A 87 6.064 0.895 -9.951 1.00 0.00 H new ATOM 1344 N LEU A 88 1.657 1.748 -7.945 1.00 0.00 N ATOM 1345 CA LEU A 88 0.271 2.109 -8.191 1.00 0.00 C ATOM 1346 C LEU A 88 -0.069 3.376 -7.403 1.00 0.00 C ATOM 1347 O LEU A 88 -0.698 4.291 -7.934 1.00 0.00 O ATOM 1348 CB LEU A 88 -0.653 0.929 -7.885 1.00 0.00 C ATOM 1349 CG LEU A 88 -2.056 1.000 -8.492 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -2.075 0.405 -9.901 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -3.084 0.334 -7.575 1.00 0.00 C ATOM 0 H LEU A 88 1.815 0.755 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 88 0.119 2.338 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.172 0.016 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.751 0.841 -6.803 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.336 2.049 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.084 0.468 -10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.390 0.961 -10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.765 -0.639 -9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.073 0.398 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.818 -0.713 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.094 0.842 -6.611 1.00 0.00 H new ATOM 1363 N MET A 89 0.361 3.389 -6.150 1.00 0.00 N ATOM 1364 CA MET A 89 0.109 4.528 -5.284 1.00 0.00 C ATOM 1365 C MET A 89 0.748 5.798 -5.850 1.00 0.00 C ATOM 1366 O MET A 89 0.065 6.798 -6.067 1.00 0.00 O ATOM 1367 CB MET A 89 0.678 4.247 -3.892 1.00 0.00 C ATOM 1368 CG MET A 89 -0.355 3.542 -3.010 1.00 0.00 C ATOM 1369 SD MET A 89 -1.111 4.716 -1.898 1.00 0.00 S ATOM 1370 CE MET A 89 -2.828 4.270 -2.098 1.00 0.00 C ATOM 0 H MET A 89 0.882 2.629 -5.714 1.00 0.00 H new ATOM 0 HA MET A 89 -0.968 4.682 -5.221 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.571 3.628 -3.978 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.983 5.183 -3.424 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.118 3.075 -3.632 1.00 0.00 H new ATOM 0 HG3 MET A 89 0.124 2.745 -2.440 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.446 4.910 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.118 4.398 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.970 3.229 -1.807 1.00 0.00 H new ATOM 1380 N MET A 90 2.052 5.718 -6.072 1.00 0.00 N ATOM 1381 CA MET A 90 2.791 6.848 -6.609 1.00 0.00 C ATOM 1382 C MET A 90 2.108 7.406 -7.859 1.00 0.00 C ATOM 1383 O MET A 90 1.828 8.601 -7.937 1.00 0.00 O ATOM 1384 CB MET A 90 4.214 6.409 -6.957 1.00 0.00 C ATOM 1385 CG MET A 90 5.091 7.615 -7.303 1.00 0.00 C ATOM 1386 SD MET A 90 6.008 7.292 -8.800 1.00 0.00 S ATOM 1387 CE MET A 90 7.165 6.073 -8.197 1.00 0.00 C ATOM 0 H MET A 90 2.616 4.888 -5.890 1.00 0.00 H new ATOM 0 HA MET A 90 2.819 7.632 -5.853 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.648 5.869 -6.115 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.189 5.719 -7.800 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.470 8.502 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.778 7.823 -6.483 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.876 5.825 -8.985 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.702 6.475 -7.338 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.625 5.174 -7.899 1.00 0.00 H new ATOM 1397 N ILE A 91 1.860 6.513 -8.807 1.00 0.00 N ATOM 1398 CA ILE A 91 1.216 6.901 -10.050 1.00 0.00 C ATOM 1399 C ILE A 91 -0.055 7.693 -9.735 1.00 0.00 C ATOM 1400 O ILE A 91 -0.218 8.821 -10.197 1.00 0.00 O ATOM 1401 CB ILE A 91 0.974 5.676 -10.933 1.00 0.00 C ATOM 1402 CG1 ILE A 91 2.297 5.090 -11.433 1.00 0.00 C ATOM 1403 CG2 ILE A 91 0.023 6.009 -12.085 1.00 0.00 C ATOM 1404 CD1 ILE A 91 2.753 5.785 -12.718 1.00 0.00 C ATOM 0 H ILE A 91 2.094 5.522 -8.739 1.00 0.00 H new ATOM 0 HA ILE A 91 1.867 7.558 -10.627 1.00 0.00 H new ATOM 0 HB ILE A 91 0.490 4.909 -10.328 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.062 5.201 -10.664 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.180 4.022 -11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.132 5.121 -12.697 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.933 6.344 -11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.456 6.800 -12.697 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.695 5.350 -13.052 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.997 5.652 -13.492 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.892 6.849 -12.526 1.00 0.00 H new ATOM 1416 N LEU A 92 -0.923 7.070 -8.952 1.00 0.00 N ATOM 1417 CA LEU A 92 -2.174 7.702 -8.570 1.00 0.00 C ATOM 1418 C LEU A 92 -1.881 9.070 -7.950 1.00 0.00 C ATOM 1419 O LEU A 92 -2.694 9.988 -8.050 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.987 6.777 -7.662 1.00 0.00 C ATOM 1421 CG LEU A 92 -4.217 6.125 -8.297 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -5.230 7.181 -8.742 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -3.814 5.197 -9.445 1.00 0.00 C ATOM 0 H LEU A 92 -0.785 6.134 -8.572 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.796 7.876 -9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.329 5.988 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.311 7.348 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.706 5.510 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.094 6.690 -9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.551 7.764 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.768 7.842 -9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.707 4.746 -9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.289 5.770 -10.209 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.159 4.412 -9.066 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.717 9.163 -7.324 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.307 10.404 -6.688 1.00 0.00 C ATOM 1437 C ARG A 93 0.043 11.452 -7.746 1.00 0.00 C ATOM 1438 O ARG A 93 -0.222 12.639 -7.561 1.00 0.00 O ATOM 1439 CB ARG A 93 0.903 10.182 -5.779 1.00 0.00 C ATOM 1440 CG ARG A 93 0.885 11.153 -4.596 1.00 0.00 C ATOM 1441 CD ARG A 93 0.464 10.441 -3.309 1.00 0.00 C ATOM 1442 NE ARG A 93 -1.012 10.414 -3.205 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.681 10.206 -2.063 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.010 10.005 -0.920 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -3.021 10.199 -2.063 1.00 0.00 N ATOM 0 H ARG A 93 -0.045 8.400 -7.244 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.141 10.759 -6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.903 9.156 -5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.821 10.316 -6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.874 11.592 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.197 11.973 -4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.856 9.424 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.888 10.953 -2.445 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.554 10.563 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.010 10.010 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.519 9.847 -0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.532 10.352 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.530 10.041 -1.193 1.00 0.00 H new ATOM 1459 N LEU A 94 0.635 10.976 -8.832 1.00 0.00 N ATOM 1460 CA LEU A 94 1.024 11.857 -9.919 1.00 0.00 C ATOM 1461 C LEU A 94 -0.140 12.790 -10.257 1.00 0.00 C ATOM 1462 O LEU A 94 -0.113 13.971 -9.915 1.00 0.00 O ATOM 1463 CB LEU A 94 1.527 11.044 -11.114 1.00 0.00 C ATOM 1464 CG LEU A 94 1.997 11.851 -12.325 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.518 11.780 -12.474 1.00 0.00 C ATOM 1466 CD2 LEU A 94 1.275 11.404 -13.597 1.00 0.00 C ATOM 0 H LEU A 94 0.854 9.991 -8.982 1.00 0.00 H new ATOM 0 HA LEU A 94 1.860 12.487 -9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.352 10.416 -10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.728 10.376 -11.436 1.00 0.00 H new ATOM 0 HG LEU A 94 1.738 12.897 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.826 12.362 -13.343 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.991 12.185 -11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.823 10.742 -12.606 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.628 11.994 -14.442 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.480 10.349 -13.780 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.202 11.550 -13.476 1.00 0.00 H new ATOM 1478 N VAL A 95 -1.136 12.224 -10.923 1.00 0.00 N ATOM 1479 CA VAL A 95 -2.308 12.990 -11.310 1.00 0.00 C ATOM 1480 C VAL A 95 -2.838 13.753 -10.094 1.00 0.00 C ATOM 1481 O VAL A 95 -3.264 14.901 -10.215 1.00 0.00 O ATOM 1482 CB VAL A 95 -3.354 12.066 -11.938 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -2.838 11.462 -13.245 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -3.776 10.970 -10.957 1.00 0.00 C ATOM 0 H VAL A 95 -1.155 11.244 -11.204 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.048 13.728 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.234 12.665 -12.171 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.601 10.810 -13.670 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.610 12.261 -13.950 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.935 10.884 -13.047 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.520 10.327 -11.428 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.906 10.375 -10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.203 11.426 -10.064 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.793 13.086 -8.951 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.263 13.687 -7.714 1.00 0.00 C ATOM 1496 C LEU A 96 -2.812 15.148 -7.659 1.00 0.00 C ATOM 1497 O LEU A 96 -3.622 16.043 -7.425 1.00 0.00 O ATOM 1498 CB LEU A 96 -2.811 12.858 -6.510 1.00 0.00 C ATOM 1499 CG LEU A 96 -3.763 12.841 -5.313 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -3.938 14.246 -4.732 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.103 12.204 -5.686 1.00 0.00 C ATOM 0 H LEU A 96 -2.438 12.135 -8.855 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.352 13.688 -7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.655 11.831 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.845 13.236 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.319 12.222 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.620 14.206 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.971 14.627 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.348 14.907 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.761 12.205 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.565 12.775 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.939 11.178 -6.016 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.520 15.344 -7.878 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.951 16.681 -7.856 1.00 0.00 C ATOM 1515 C LEU A 97 -1.913 17.651 -8.546 1.00 0.00 C ATOM 1516 O LEU A 97 -2.244 18.699 -7.994 1.00 0.00 O ATOM 1517 CB LEU A 97 0.455 16.675 -8.460 1.00 0.00 C ATOM 1518 CG LEU A 97 1.172 18.026 -8.501 1.00 0.00 C ATOM 1519 CD1 LEU A 97 1.830 18.339 -7.156 1.00 0.00 C ATOM 1520 CD2 LEU A 97 2.175 18.079 -9.655 1.00 0.00 C ATOM 0 H LEU A 97 -0.851 14.599 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.830 17.027 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.070 15.977 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.390 16.289 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 97 0.428 18.802 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.333 19.305 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.068 18.372 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.559 17.564 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.671 19.050 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.919 17.292 -9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.651 17.933 -10.600 1.00 0.00 H new ATOM 1532 N LEU A 98 -2.334 17.266 -9.742 1.00 0.00 N ATOM 1533 CA LEU A 98 -3.251 18.089 -10.512 1.00 0.00 C ATOM 1534 C LEU A 98 -4.552 18.268 -9.726 1.00 0.00 C ATOM 1535 O LEU A 98 -4.934 19.390 -9.398 1.00 0.00 O ATOM 1536 CB LEU A 98 -3.454 17.500 -11.910 1.00 0.00 C ATOM 1537 CG LEU A 98 -4.596 18.101 -12.732 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -4.073 18.711 -14.034 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -5.693 17.065 -12.984 1.00 0.00 C ATOM 0 H LEU A 98 -2.057 16.396 -10.196 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.832 19.083 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.527 17.619 -12.471 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.630 16.429 -11.809 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.043 18.910 -12.155 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.905 19.131 -14.599 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.356 19.499 -13.804 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.585 17.938 -14.628 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.493 17.517 -13.570 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.276 16.219 -13.531 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.093 16.719 -12.031 1.00 0.00 H new ATOM 1551 N LEU A 99 -5.197 17.144 -9.447 1.00 0.00 N ATOM 1552 CA LEU A 99 -6.446 17.163 -8.706 1.00 0.00 C ATOM 1553 C LEU A 99 -6.343 18.180 -7.567 1.00 0.00 C ATOM 1554 O LEU A 99 -7.091 19.156 -7.532 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.815 15.753 -8.240 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.971 15.082 -8.984 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.535 13.742 -9.580 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -9.195 14.935 -8.078 1.00 0.00 C ATOM 0 H LEU A 99 -4.878 16.215 -9.721 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.265 17.485 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.933 15.119 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.067 15.796 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.261 15.725 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.375 13.286 -10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.716 13.905 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.202 13.079 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.002 14.455 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.936 14.325 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.520 15.920 -7.743 1.00 0.00 H new