USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 59:sc= 0.201 USER MOD Set 1.2: A 63 ASN : amide:sc= 0.0869 K(o=0.29,f=-1.6) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= -0.457 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.56! C(o=-4.6!,f=-9.4!) USER MOD Single : A 11 CYS SG : rot 27:sc= 0.175 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0328) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 43 MET CE :methyl -138:sc= 0 (180deg=-0.433) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.665 K(o=-0.67,f=0.66) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 18:sc= 0.0917 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -7.36! C(o=-7.4!,f=-7.2!) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0752) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.535 3.211 -7.559 1.00 0.00 N ATOM 67 CA VAL A 8 -13.631 3.471 -8.674 1.00 0.00 C ATOM 68 C VAL A 8 -12.182 3.529 -8.204 1.00 0.00 C ATOM 69 O VAL A 8 -11.852 4.257 -7.268 1.00 0.00 O ATOM 70 CB VAL A 8 -13.983 4.791 -9.384 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.793 5.971 -8.444 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.142 4.960 -10.641 1.00 0.00 C ATOM 0 HA VAL A 8 -13.749 2.646 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.032 4.757 -9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.047 6.895 -8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.442 5.853 -7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.754 6.012 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.404 5.898 -11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.086 4.973 -10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.334 4.130 -11.321 1.00 0.00 H new ATOM 82 N GLN A 9 -11.321 2.758 -8.861 1.00 0.00 N ATOM 83 CA GLN A 9 -9.907 2.723 -8.510 1.00 0.00 C ATOM 84 C GLN A 9 -9.164 3.905 -9.123 1.00 0.00 C ATOM 85 O GLN A 9 -9.465 4.329 -10.239 1.00 0.00 O ATOM 86 CB GLN A 9 -9.276 1.410 -8.978 1.00 0.00 C ATOM 87 CG GLN A 9 -9.077 1.334 -10.483 1.00 0.00 C ATOM 88 CD GLN A 9 -8.639 -0.042 -10.946 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.449 -0.356 -10.957 1.00 0.00 O ATOM 90 NE2 GLN A 9 -9.602 -0.871 -11.330 1.00 0.00 N ATOM 0 H GLN A 9 -11.578 2.150 -9.638 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.826 2.790 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.312 1.284 -8.485 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.907 0.580 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.008 1.602 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.331 2.069 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.576 -0.568 -11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.368 -1.811 -11.651 1.00 0.00 H new ATOM 99 N ARG A 10 -8.192 4.433 -8.386 1.00 0.00 N ATOM 100 CA ARG A 10 -7.407 5.568 -8.857 1.00 0.00 C ATOM 101 C ARG A 10 -5.940 5.183 -9.022 1.00 0.00 C ATOM 102 O ARG A 10 -5.518 4.109 -8.593 1.00 0.00 O ATOM 103 CB ARG A 10 -7.530 6.741 -7.882 1.00 0.00 C ATOM 104 CG ARG A 10 -7.384 8.101 -8.544 1.00 0.00 C ATOM 105 CD ARG A 10 -8.006 9.202 -7.699 1.00 0.00 C ATOM 106 NE ARG A 10 -7.074 9.719 -6.701 1.00 0.00 N ATOM 107 CZ ARG A 10 -7.290 10.824 -5.997 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.400 11.526 -6.182 1.00 0.00 N ATOM 109 NH2 ARG A 10 -6.395 11.231 -5.106 1.00 0.00 N ATOM 0 H ARG A 10 -7.929 4.093 -7.461 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.798 5.869 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.499 6.690 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.770 6.640 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.328 8.317 -8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.858 8.082 -9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.332 10.016 -8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.895 8.817 -7.200 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.210 9.203 -6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.090 11.217 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.563 12.374 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.539 10.695 -4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.563 12.080 -4.566 1.00 0.00 H new ATOM 123 N CYS A 11 -5.169 6.065 -9.648 1.00 0.00 N ATOM 124 CA CYS A 11 -3.749 5.817 -9.871 1.00 0.00 C ATOM 125 C CYS A 11 -2.895 6.838 -9.126 1.00 0.00 C ATOM 126 O CYS A 11 -3.128 8.043 -9.217 1.00 0.00 O ATOM 127 CB CYS A 11 -3.431 5.863 -11.367 1.00 0.00 C ATOM 128 SG CYS A 11 -3.719 7.475 -12.134 1.00 0.00 S ATOM 0 H CYS A 11 -5.503 6.958 -10.010 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.514 4.824 -9.487 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.388 5.584 -11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.037 5.115 -11.879 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.597 8.410 -11.239 1.00 0.00 H new ATOM 134 N VAL A 12 -1.904 6.346 -8.388 1.00 0.00 N ATOM 135 CA VAL A 12 -1.015 7.215 -7.627 1.00 0.00 C ATOM 136 C VAL A 12 0.443 6.816 -7.822 1.00 0.00 C ATOM 137 O VAL A 12 0.781 5.632 -7.803 1.00 0.00 O ATOM 138 CB VAL A 12 -1.349 7.180 -6.123 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.165 5.776 -5.568 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.489 8.179 -5.364 1.00 0.00 C ATOM 0 H VAL A 12 -1.697 5.351 -8.301 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.164 8.228 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.394 7.462 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.405 5.771 -4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.827 5.088 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.131 5.462 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.738 8.141 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.563 7.930 -5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.676 9.183 -5.745 1.00 0.00 H new ATOM 150 N ILE A 13 1.304 7.811 -8.008 1.00 0.00 N ATOM 151 CA ILE A 13 2.726 7.564 -8.205 1.00 0.00 C ATOM 152 C ILE A 13 3.560 8.275 -7.145 1.00 0.00 C ATOM 153 O ILE A 13 3.424 9.482 -6.940 1.00 0.00 O ATOM 154 CB ILE A 13 3.190 8.023 -9.600 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.399 7.296 -10.690 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.682 7.780 -9.769 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.516 7.940 -12.053 1.00 0.00 C ATOM 0 H ILE A 13 1.041 8.796 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 13 2.873 6.488 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 13 3.003 9.093 -9.695 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.747 6.265 -10.753 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.348 7.261 -10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.994 8.110 -10.760 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.230 8.340 -9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.892 6.716 -9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.930 7.372 -12.775 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.141 8.962 -12.006 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.561 7.951 -12.362 1.00 0.00 H new ATOM 169 N ILE A 14 4.424 7.520 -6.475 1.00 0.00 N ATOM 170 CA ILE A 14 5.282 8.079 -5.438 1.00 0.00 C ATOM 171 C ILE A 14 6.756 7.871 -5.772 1.00 0.00 C ATOM 172 O ILE A 14 7.168 6.771 -6.140 1.00 0.00 O ATOM 173 CB ILE A 14 4.986 7.452 -4.063 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.505 7.614 -3.713 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.861 8.086 -2.992 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.005 6.593 -2.715 1.00 0.00 C ATOM 0 H ILE A 14 4.548 6.520 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 14 5.069 9.147 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 14 5.215 6.387 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.342 8.614 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.914 7.538 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.640 7.632 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.911 7.924 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.660 9.156 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.948 6.768 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.136 5.591 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.571 6.683 -1.788 1.00 0.00 H new ATOM 188 N GLN A 15 7.543 8.933 -5.639 1.00 0.00 N ATOM 189 CA GLN A 15 8.971 8.866 -5.926 1.00 0.00 C ATOM 190 C GLN A 15 9.791 9.062 -4.655 1.00 0.00 C ATOM 191 O GLN A 15 9.652 10.070 -3.963 1.00 0.00 O ATOM 192 CB GLN A 15 9.355 9.923 -6.963 1.00 0.00 C ATOM 193 CG GLN A 15 9.088 11.348 -6.507 1.00 0.00 C ATOM 194 CD GLN A 15 9.272 12.362 -7.619 1.00 0.00 C ATOM 195 OE1 GLN A 15 10.168 12.230 -8.452 1.00 0.00 O ATOM 196 NE2 GLN A 15 8.421 13.381 -7.638 1.00 0.00 N ATOM 0 H GLN A 15 7.216 9.850 -5.334 1.00 0.00 H new ATOM 0 HA GLN A 15 9.189 7.877 -6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.414 9.819 -7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.802 9.735 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.071 11.417 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.758 11.593 -5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.693 13.451 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.495 14.094 -8.364 1.00 0.00 H new ATOM 205 N LYS A 16 10.646 8.091 -4.354 1.00 0.00 N ATOM 206 CA LYS A 16 11.491 8.155 -3.167 1.00 0.00 C ATOM 207 C LYS A 16 11.931 9.589 -2.889 1.00 0.00 C ATOM 208 O LYS A 16 12.099 10.386 -3.812 1.00 0.00 O ATOM 209 CB LYS A 16 12.718 7.258 -3.339 1.00 0.00 C ATOM 210 CG LYS A 16 13.692 7.757 -4.393 1.00 0.00 C ATOM 211 CD LYS A 16 14.712 6.691 -4.759 1.00 0.00 C ATOM 212 CE LYS A 16 15.651 7.170 -5.854 1.00 0.00 C ATOM 213 NZ LYS A 16 16.202 6.037 -6.648 1.00 0.00 N ATOM 0 H LYS A 16 10.772 7.249 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 16 10.907 7.801 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.237 7.180 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.389 6.254 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.142 8.057 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.207 8.643 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.290 6.421 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.195 5.790 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.118 7.852 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.471 7.734 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.016 6.367 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.507 5.278 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.468 5.673 -7.289 1.00 0.00 H new ATOM 281 N PHE A 21 10.766 5.149 0.356 1.00 0.00 N ATOM 282 CA PHE A 21 9.440 5.690 0.081 1.00 0.00 C ATOM 283 C PHE A 21 8.829 6.297 1.341 1.00 0.00 C ATOM 284 O PHE A 21 8.489 7.479 1.373 1.00 0.00 O ATOM 285 CB PHE A 21 8.522 4.596 -0.468 1.00 0.00 C ATOM 286 CG PHE A 21 8.842 4.199 -1.881 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.252 4.856 -2.949 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.733 3.170 -2.141 1.00 0.00 C ATOM 289 CE1 PHE A 21 8.544 4.492 -4.250 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.029 2.802 -3.440 1.00 0.00 C ATOM 291 CZ PHE A 21 9.434 3.465 -4.496 1.00 0.00 C ATOM 0 HA PHE A 21 9.544 6.476 -0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.593 3.717 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.489 4.942 -0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.557 5.661 -2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.202 2.649 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.076 5.011 -5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.724 1.998 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.664 3.181 -5.512 1.00 0.00 H new ATOM 301 N GLY A 22 8.691 5.477 2.379 1.00 0.00 N ATOM 302 CA GLY A 22 8.121 5.949 3.627 1.00 0.00 C ATOM 303 C GLY A 22 6.968 5.087 4.101 1.00 0.00 C ATOM 304 O GLY A 22 6.932 4.665 5.257 1.00 0.00 O ATOM 0 H GLY A 22 8.964 4.494 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.896 5.967 4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.775 6.975 3.500 1.00 0.00 H new ATOM 308 N PHE A 23 6.021 4.825 3.206 1.00 0.00 N ATOM 309 CA PHE A 23 4.859 4.009 3.539 1.00 0.00 C ATOM 310 C PHE A 23 5.179 2.523 3.399 1.00 0.00 C ATOM 311 O PHE A 23 5.858 2.108 2.459 1.00 0.00 O ATOM 312 CB PHE A 23 3.677 4.375 2.639 1.00 0.00 C ATOM 313 CG PHE A 23 3.722 3.712 1.292 1.00 0.00 C ATOM 314 CD1 PHE A 23 4.619 4.139 0.325 1.00 0.00 C ATOM 315 CD2 PHE A 23 2.868 2.663 0.992 1.00 0.00 C ATOM 316 CE1 PHE A 23 4.662 3.531 -0.915 1.00 0.00 C ATOM 317 CE2 PHE A 23 2.907 2.052 -0.247 1.00 0.00 C ATOM 318 CZ PHE A 23 3.806 2.486 -1.202 1.00 0.00 C ATOM 0 H PHE A 23 6.035 5.166 2.245 1.00 0.00 H new ATOM 0 HA PHE A 23 4.592 4.209 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.749 4.099 3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.656 5.456 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.291 4.956 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.164 2.319 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.365 3.873 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.235 1.236 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.839 2.009 -2.171 1.00 0.00 H new ATOM 328 N THR A 24 4.685 1.726 4.341 1.00 0.00 N ATOM 329 CA THR A 24 4.919 0.288 4.325 1.00 0.00 C ATOM 330 C THR A 24 3.612 -0.480 4.163 1.00 0.00 C ATOM 331 O THR A 24 2.540 0.019 4.506 1.00 0.00 O ATOM 332 CB THR A 24 5.620 -0.182 5.614 1.00 0.00 C ATOM 333 OG1 THR A 24 4.761 0.021 6.741 1.00 0.00 O ATOM 334 CG2 THR A 24 6.926 0.569 5.824 1.00 0.00 C ATOM 0 H THR A 24 4.120 2.053 5.125 1.00 0.00 H new ATOM 0 HA THR A 24 5.566 0.083 3.472 1.00 0.00 H new ATOM 0 HB THR A 24 5.842 -1.244 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.213 -0.282 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.403 0.220 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.589 0.389 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.723 1.637 5.905 1.00 0.00 H new ATOM 342 N VAL A 25 3.707 -1.697 3.637 1.00 0.00 N ATOM 343 CA VAL A 25 2.532 -2.535 3.430 1.00 0.00 C ATOM 344 C VAL A 25 2.736 -3.924 4.024 1.00 0.00 C ATOM 345 O VAL A 25 3.846 -4.456 4.019 1.00 0.00 O ATOM 346 CB VAL A 25 2.197 -2.673 1.933 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.938 -1.307 1.315 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.319 -3.395 1.201 1.00 0.00 C ATOM 0 H VAL A 25 4.586 -2.125 3.346 1.00 0.00 H new ATOM 0 HA VAL A 25 1.701 -2.045 3.937 1.00 0.00 H new ATOM 0 HB VAL A 25 1.288 -3.267 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.703 -1.425 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.099 -0.831 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.827 -0.685 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.066 -3.484 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.245 -2.830 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.451 -4.389 1.627 1.00 0.00 H new ATOM 358 N SER A 26 1.657 -4.507 4.536 1.00 0.00 N ATOM 359 CA SER A 26 1.718 -5.834 5.138 1.00 0.00 C ATOM 360 C SER A 26 0.453 -6.629 4.828 1.00 0.00 C ATOM 361 O SER A 26 -0.644 -6.076 4.772 1.00 0.00 O ATOM 362 CB SER A 26 1.906 -5.723 6.652 1.00 0.00 C ATOM 363 OG SER A 26 1.647 -6.961 7.290 1.00 0.00 O ATOM 0 H SER A 26 0.730 -4.082 4.546 1.00 0.00 H new ATOM 0 HA SER A 26 2.572 -6.361 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.924 -5.403 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.238 -4.959 7.049 1.00 0.00 H new ATOM 0 HG SER A 26 1.776 -6.864 8.257 1.00 0.00 H new ATOM 369 N GLY A 27 0.616 -7.934 4.628 1.00 0.00 N ATOM 370 CA GLY A 27 -0.520 -8.785 4.326 1.00 0.00 C ATOM 371 C GLY A 27 -0.127 -10.018 3.536 1.00 0.00 C ATOM 372 O GLY A 27 0.967 -10.081 2.974 1.00 0.00 O ATOM 0 H GLY A 27 1.514 -8.416 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.999 -9.091 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.257 -8.215 3.761 1.00 0.00 H new ATOM 376 N ASP A 28 -1.019 -11.001 3.495 1.00 0.00 N ATOM 377 CA ASP A 28 -0.759 -12.239 2.769 1.00 0.00 C ATOM 378 C ASP A 28 -1.587 -12.301 1.488 1.00 0.00 C ATOM 379 O ASP A 28 -1.063 -12.594 0.413 1.00 0.00 O ATOM 380 CB ASP A 28 -1.071 -13.448 3.651 1.00 0.00 C ATOM 381 CG ASP A 28 -2.482 -13.413 4.205 1.00 0.00 C ATOM 382 OD1 ASP A 28 -2.773 -12.524 5.033 1.00 0.00 O ATOM 383 OD2 ASP A 28 -3.296 -14.273 3.809 1.00 0.00 O ATOM 0 H ASP A 28 -1.928 -10.965 3.956 1.00 0.00 H new ATOM 0 HA ASP A 28 0.297 -12.259 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.934 -14.361 3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.361 -13.484 4.477 1.00 0.00 H new ATOM 388 N ARG A 29 -2.881 -12.026 1.612 1.00 0.00 N ATOM 389 CA ARG A 29 -3.781 -12.053 0.465 1.00 0.00 C ATOM 390 C ARG A 29 -4.253 -10.645 0.112 1.00 0.00 C ATOM 391 O ARG A 29 -4.208 -10.239 -1.050 1.00 0.00 O ATOM 392 CB ARG A 29 -4.986 -12.948 0.757 1.00 0.00 C ATOM 393 CG ARG A 29 -5.765 -13.345 -0.487 1.00 0.00 C ATOM 394 CD ARG A 29 -6.429 -14.703 -0.319 1.00 0.00 C ATOM 395 NE ARG A 29 -7.377 -14.715 0.792 1.00 0.00 N ATOM 396 CZ ARG A 29 -8.051 -15.795 1.172 1.00 0.00 C ATOM 397 NH1 ARG A 29 -7.881 -16.944 0.533 1.00 0.00 N ATOM 398 NH2 ARG A 29 -8.895 -15.727 2.192 1.00 0.00 N ATOM 0 H ARG A 29 -3.330 -11.782 2.495 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.234 -12.459 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.644 -13.850 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.655 -12.430 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.524 -12.591 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.094 -13.371 -1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.947 -14.970 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.665 -15.462 -0.152 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.530 -13.846 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.232 -17.000 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.399 -17.772 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.028 -14.845 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.412 -16.557 2.483 1.00 0.00 H new ATOM 412 N ILE A 30 -4.706 -9.908 1.120 1.00 0.00 N ATOM 413 CA ILE A 30 -5.186 -8.547 0.915 1.00 0.00 C ATOM 414 C ILE A 30 -4.191 -7.526 1.456 1.00 0.00 C ATOM 415 O ILE A 30 -4.220 -7.180 2.637 1.00 0.00 O ATOM 416 CB ILE A 30 -6.552 -8.324 1.591 1.00 0.00 C ATOM 417 CG1 ILE A 30 -7.546 -9.400 1.148 1.00 0.00 C ATOM 418 CG2 ILE A 30 -7.084 -6.937 1.264 1.00 0.00 C ATOM 419 CD1 ILE A 30 -8.050 -9.210 -0.266 1.00 0.00 C ATOM 0 H ILE A 30 -4.751 -10.230 2.087 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.295 -8.410 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.423 -8.397 2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.071 -10.378 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.395 -9.402 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.050 -6.794 1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.383 -6.184 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.201 -6.837 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.750 -10.008 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.554 -8.247 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.209 -9.238 -0.959 1.00 0.00 H new ATOM 431 N VAL A 31 -3.311 -7.045 0.584 1.00 0.00 N ATOM 432 CA VAL A 31 -2.308 -6.061 0.973 1.00 0.00 C ATOM 433 C VAL A 31 -2.952 -4.715 1.288 1.00 0.00 C ATOM 434 O VAL A 31 -3.848 -4.262 0.575 1.00 0.00 O ATOM 435 CB VAL A 31 -1.253 -5.867 -0.133 1.00 0.00 C ATOM 436 CG1 VAL A 31 -0.237 -4.812 0.277 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.566 -7.186 -0.451 1.00 0.00 C ATOM 0 H VAL A 31 -3.272 -7.321 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.818 -6.445 1.868 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.757 -5.520 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.500 -4.689 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.746 -3.864 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.265 -5.126 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.176 -7.030 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.074 -7.565 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.307 -7.909 -0.792 1.00 0.00 H new ATOM 447 N LEU A 32 -2.489 -4.081 2.359 1.00 0.00 N ATOM 448 CA LEU A 32 -3.019 -2.785 2.769 1.00 0.00 C ATOM 449 C LEU A 32 -1.911 -1.891 3.316 1.00 0.00 C ATOM 450 O LEU A 32 -0.913 -2.377 3.850 1.00 0.00 O ATOM 451 CB LEU A 32 -4.109 -2.969 3.826 1.00 0.00 C ATOM 452 CG LEU A 32 -5.447 -3.514 3.323 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.217 -4.170 4.458 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.271 -2.403 2.688 1.00 0.00 C ATOM 0 H LEU A 32 -1.748 -4.443 2.959 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.449 -2.303 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.731 -3.643 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.289 -2.007 4.305 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.247 -4.270 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.166 -4.552 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.631 -4.993 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.407 -3.436 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.219 -2.809 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.462 -1.624 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.723 -1.979 1.846 1.00 0.00 H new ATOM 466 N VAL A 33 -2.093 -0.581 3.181 1.00 0.00 N ATOM 467 CA VAL A 33 -1.110 0.381 3.665 1.00 0.00 C ATOM 468 C VAL A 33 -0.952 0.292 5.179 1.00 0.00 C ATOM 469 O VAL A 33 -1.799 0.776 5.929 1.00 0.00 O ATOM 470 CB VAL A 33 -1.500 1.821 3.284 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.549 2.820 3.926 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.518 1.986 1.772 1.00 0.00 C ATOM 0 H VAL A 33 -2.912 -0.162 2.741 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.162 0.131 3.189 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.504 2.018 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.841 3.832 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.592 2.718 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.467 2.627 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.796 3.010 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.528 1.770 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.243 1.297 1.339 1.00 0.00 H new ATOM 482 N GLN A 34 0.137 -0.329 5.619 1.00 0.00 N ATOM 483 CA GLN A 34 0.405 -0.482 7.044 1.00 0.00 C ATOM 484 C GLN A 34 0.540 0.878 7.721 1.00 0.00 C ATOM 485 O GLN A 34 -0.242 1.222 8.608 1.00 0.00 O ATOM 486 CB GLN A 34 1.679 -1.301 7.261 1.00 0.00 C ATOM 487 CG GLN A 34 1.787 -1.902 8.653 1.00 0.00 C ATOM 488 CD GLN A 34 3.104 -2.616 8.880 1.00 0.00 C ATOM 489 OE1 GLN A 34 3.739 -3.087 7.935 1.00 0.00 O ATOM 490 NE2 GLN A 34 3.523 -2.701 10.137 1.00 0.00 N ATOM 0 H GLN A 34 0.848 -0.734 5.010 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.438 -1.009 7.492 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.715 -2.103 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.545 -0.664 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.674 -1.112 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.967 -2.603 8.806 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.965 -2.297 10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.403 -3.171 10.351 1.00 0.00 H new ATOM 499 N SER A 35 1.538 1.648 7.298 1.00 0.00 N ATOM 500 CA SER A 35 1.778 2.969 7.867 1.00 0.00 C ATOM 501 C SER A 35 2.342 3.919 6.815 1.00 0.00 C ATOM 502 O SER A 35 2.879 3.486 5.795 1.00 0.00 O ATOM 503 CB SER A 35 2.742 2.870 9.051 1.00 0.00 C ATOM 504 OG SER A 35 4.088 2.976 8.622 1.00 0.00 O ATOM 0 H SER A 35 2.193 1.380 6.564 1.00 0.00 H new ATOM 0 HA SER A 35 0.825 3.366 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.523 3.660 9.770 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.595 1.921 9.566 1.00 0.00 H new ATOM 0 HG SER A 35 4.684 2.911 9.397 1.00 0.00 H new ATOM 510 N VAL A 36 2.217 5.217 7.070 1.00 0.00 N ATOM 511 CA VAL A 36 2.715 6.230 6.147 1.00 0.00 C ATOM 512 C VAL A 36 3.408 7.363 6.896 1.00 0.00 C ATOM 513 O VAL A 36 2.761 8.155 7.580 1.00 0.00 O ATOM 514 CB VAL A 36 1.578 6.816 5.290 1.00 0.00 C ATOM 515 CG1 VAL A 36 2.102 7.927 4.393 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.915 5.722 4.465 1.00 0.00 C ATOM 0 H VAL A 36 1.775 5.592 7.909 1.00 0.00 H new ATOM 0 HA VAL A 36 3.435 5.736 5.494 1.00 0.00 H new ATOM 0 HB VAL A 36 0.828 7.243 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.284 8.328 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.526 8.721 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.872 7.529 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.114 6.154 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.654 5.264 3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.502 4.964 5.131 1.00 0.00 H new ATOM 526 N ARG A 37 4.728 7.433 6.760 1.00 0.00 N ATOM 527 CA ARG A 37 5.510 8.469 7.424 1.00 0.00 C ATOM 528 C ARG A 37 4.749 9.792 7.451 1.00 0.00 C ATOM 529 O ARG A 37 4.059 10.158 6.499 1.00 0.00 O ATOM 530 CB ARG A 37 6.854 8.656 6.718 1.00 0.00 C ATOM 531 CG ARG A 37 7.673 9.814 7.263 1.00 0.00 C ATOM 532 CD ARG A 37 8.716 10.280 6.260 1.00 0.00 C ATOM 533 NE ARG A 37 9.853 9.367 6.188 1.00 0.00 N ATOM 534 CZ ARG A 37 10.881 9.405 7.029 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.914 10.306 8.000 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.879 8.540 6.899 1.00 0.00 N ATOM 0 H ARG A 37 5.278 6.785 6.196 1.00 0.00 H new ATOM 0 HA ARG A 37 5.688 8.151 8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.434 7.737 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.677 8.816 5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.011 10.643 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.165 9.510 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.258 10.367 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.067 11.274 6.537 1.00 0.00 H new ATOM 0 HE ARG A 37 9.859 8.661 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.149 10.973 8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.704 10.333 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.858 7.845 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.668 8.570 7.545 1.00 0.00 H new ATOM 550 N PRO A 38 4.876 10.526 8.566 1.00 0.00 N ATOM 551 CA PRO A 38 4.208 11.819 8.743 1.00 0.00 C ATOM 552 C PRO A 38 4.795 12.902 7.846 1.00 0.00 C ATOM 553 O PRO A 38 5.722 13.610 8.236 1.00 0.00 O ATOM 554 CB PRO A 38 4.460 12.149 10.216 1.00 0.00 C ATOM 555 CG PRO A 38 5.706 11.409 10.563 1.00 0.00 C ATOM 556 CD PRO A 38 5.682 10.151 9.740 1.00 0.00 C ATOM 0 HA PRO A 38 3.152 11.772 8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.582 13.222 10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.625 11.833 10.841 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.590 12.006 10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.739 11.178 11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.686 9.839 9.454 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.234 9.322 10.287 1.00 0.00 H new ATOM 564 N GLY A 39 4.248 13.027 6.640 1.00 0.00 N ATOM 565 CA GLY A 39 4.730 14.028 5.706 1.00 0.00 C ATOM 566 C GLY A 39 5.930 13.549 4.913 1.00 0.00 C ATOM 567 O GLY A 39 6.947 14.238 4.836 1.00 0.00 O ATOM 0 H GLY A 39 3.480 12.453 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.927 14.296 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.997 14.932 6.253 1.00 0.00 H new ATOM 571 N GLY A 40 5.812 12.364 4.321 1.00 0.00 N ATOM 572 CA GLY A 40 6.904 11.814 3.539 1.00 0.00 C ATOM 573 C GLY A 40 6.678 11.958 2.047 1.00 0.00 C ATOM 574 O GLY A 40 6.764 13.058 1.503 1.00 0.00 O ATOM 0 H GLY A 40 4.980 11.776 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.832 12.316 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.028 10.759 3.785 1.00 0.00 H new ATOM 578 N ALA A 41 6.390 10.843 1.384 1.00 0.00 N ATOM 579 CA ALA A 41 6.151 10.850 -0.054 1.00 0.00 C ATOM 580 C ALA A 41 4.748 10.351 -0.380 1.00 0.00 C ATOM 581 O ALA A 41 4.021 10.974 -1.154 1.00 0.00 O ATOM 582 CB ALA A 41 7.194 10.000 -0.766 1.00 0.00 C ATOM 0 H ALA A 41 6.317 9.924 1.820 1.00 0.00 H new ATOM 0 HA ALA A 41 6.233 11.878 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.004 10.014 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.188 10.402 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.138 8.974 -0.401 1.00 0.00 H new ATOM 588 N ALA A 42 4.372 9.223 0.215 1.00 0.00 N ATOM 589 CA ALA A 42 3.055 8.642 -0.011 1.00 0.00 C ATOM 590 C ALA A 42 1.950 9.621 0.372 1.00 0.00 C ATOM 591 O ALA A 42 1.040 9.883 -0.414 1.00 0.00 O ATOM 592 CB ALA A 42 2.909 7.345 0.772 1.00 0.00 C ATOM 0 H ALA A 42 4.962 8.694 0.857 1.00 0.00 H new ATOM 0 HA ALA A 42 2.959 8.424 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.920 6.922 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.671 6.636 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.031 7.547 1.836 1.00 0.00 H new ATOM 598 N MET A 43 2.035 10.157 1.585 1.00 0.00 N ATOM 599 CA MET A 43 1.042 11.108 2.071 1.00 0.00 C ATOM 600 C MET A 43 0.810 12.220 1.054 1.00 0.00 C ATOM 601 O MET A 43 -0.322 12.471 0.640 1.00 0.00 O ATOM 602 CB MET A 43 1.489 11.707 3.406 1.00 0.00 C ATOM 603 CG MET A 43 0.338 12.215 4.260 1.00 0.00 C ATOM 604 SD MET A 43 -0.485 10.896 5.172 1.00 0.00 S ATOM 605 CE MET A 43 0.670 10.642 6.517 1.00 0.00 C ATOM 0 H MET A 43 2.781 9.949 2.249 1.00 0.00 H new ATOM 0 HA MET A 43 0.104 10.572 2.217 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.041 10.953 3.967 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.178 12.529 3.213 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.713 12.958 4.963 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.388 12.718 3.622 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.789 9.574 6.697 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.635 11.076 6.255 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.290 11.122 7.419 1.00 0.00 H new ATOM 615 N LYS A 44 1.889 12.885 0.655 1.00 0.00 N ATOM 616 CA LYS A 44 1.804 13.971 -0.315 1.00 0.00 C ATOM 617 C LYS A 44 0.867 13.604 -1.462 1.00 0.00 C ATOM 618 O LYS A 44 -0.055 14.352 -1.785 1.00 0.00 O ATOM 619 CB LYS A 44 3.194 14.302 -0.864 1.00 0.00 C ATOM 620 CG LYS A 44 4.099 14.986 0.146 1.00 0.00 C ATOM 621 CD LYS A 44 5.540 15.026 -0.335 1.00 0.00 C ATOM 622 CE LYS A 44 5.750 16.115 -1.376 1.00 0.00 C ATOM 623 NZ LYS A 44 6.053 17.431 -0.749 1.00 0.00 N ATOM 0 H LYS A 44 2.833 12.691 0.989 1.00 0.00 H new ATOM 0 HA LYS A 44 1.402 14.848 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.671 13.382 -1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.087 14.945 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.745 16.002 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.047 14.459 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.203 15.199 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.810 14.059 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.568 15.831 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.856 16.204 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.189 18.146 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.262 17.714 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.920 17.353 -0.180 1.00 0.00 H new ATOM 637 N ALA A 45 1.109 12.448 -2.071 1.00 0.00 N ATOM 638 CA ALA A 45 0.285 11.981 -3.178 1.00 0.00 C ATOM 639 C ALA A 45 -1.153 11.741 -2.730 1.00 0.00 C ATOM 640 O ALA A 45 -2.088 11.864 -3.519 1.00 0.00 O ATOM 641 CB ALA A 45 0.873 10.710 -3.774 1.00 0.00 C ATOM 0 H ALA A 45 1.869 11.818 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 45 0.275 12.757 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.247 10.372 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.880 10.912 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.914 9.935 -3.009 1.00 0.00 H new ATOM 647 N GLY A 46 -1.321 11.397 -1.457 1.00 0.00 N ATOM 648 CA GLY A 46 -2.648 11.145 -0.926 1.00 0.00 C ATOM 649 C GLY A 46 -2.841 9.700 -0.509 1.00 0.00 C ATOM 650 O GLY A 46 -3.894 9.111 -0.753 1.00 0.00 O ATOM 0 H GLY A 46 -0.562 11.288 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.822 11.794 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.393 11.405 -1.678 1.00 0.00 H new ATOM 654 N VAL A 47 -1.820 9.126 0.119 1.00 0.00 N ATOM 655 CA VAL A 47 -1.882 7.740 0.570 1.00 0.00 C ATOM 656 C VAL A 47 -1.956 7.660 2.091 1.00 0.00 C ATOM 657 O VAL A 47 -1.308 8.432 2.797 1.00 0.00 O ATOM 658 CB VAL A 47 -0.661 6.937 0.084 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.825 5.462 0.416 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.453 7.136 -1.410 1.00 0.00 C ATOM 0 H VAL A 47 -0.940 9.599 0.327 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.786 7.308 0.142 1.00 0.00 H new ATOM 0 HB VAL A 47 0.224 7.305 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.047 4.911 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.921 5.340 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.719 5.076 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.414 6.561 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.337 6.796 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.286 8.193 -1.617 1.00 0.00 H new ATOM 670 N LYS A 48 -2.752 6.720 2.589 1.00 0.00 N ATOM 671 CA LYS A 48 -2.911 6.535 4.027 1.00 0.00 C ATOM 672 C LYS A 48 -3.214 5.077 4.358 1.00 0.00 C ATOM 673 O LYS A 48 -3.327 4.240 3.464 1.00 0.00 O ATOM 674 CB LYS A 48 -4.032 7.433 4.556 1.00 0.00 C ATOM 675 CG LYS A 48 -3.715 8.916 4.470 1.00 0.00 C ATOM 676 CD LYS A 48 -4.935 9.766 4.784 1.00 0.00 C ATOM 677 CE LYS A 48 -5.036 10.070 6.271 1.00 0.00 C ATOM 678 NZ LYS A 48 -6.425 10.428 6.671 1.00 0.00 N ATOM 0 H LYS A 48 -3.297 6.074 2.018 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.974 6.811 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.944 7.232 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.235 7.173 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.912 9.158 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.352 9.154 3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.883 10.699 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.835 9.247 4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.706 9.202 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.363 10.891 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.452 10.628 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.731 11.271 6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.063 9.635 6.457 1.00 0.00 H new ATOM 692 N GLU A 49 -3.345 4.783 5.648 1.00 0.00 N ATOM 693 CA GLU A 49 -3.636 3.426 6.096 1.00 0.00 C ATOM 694 C GLU A 49 -5.056 3.020 5.714 1.00 0.00 C ATOM 695 O GLU A 49 -5.957 3.855 5.650 1.00 0.00 O ATOM 696 CB GLU A 49 -3.452 3.315 7.610 1.00 0.00 C ATOM 697 CG GLU A 49 -2.013 3.498 8.064 1.00 0.00 C ATOM 698 CD GLU A 49 -1.824 3.198 9.538 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.544 2.325 10.064 1.00 0.00 O ATOM 700 OE2 GLU A 49 -0.953 3.837 10.166 1.00 0.00 O ATOM 0 H GLU A 49 -3.254 5.466 6.400 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.938 2.750 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.076 4.063 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.807 2.339 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.365 2.846 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.700 4.522 7.862 1.00 0.00 H new ATOM 707 N GLY A 50 -5.248 1.729 5.459 1.00 0.00 N ATOM 708 CA GLY A 50 -6.560 1.233 5.085 1.00 0.00 C ATOM 709 C GLY A 50 -6.704 1.045 3.588 1.00 0.00 C ATOM 710 O GLY A 50 -7.525 0.249 3.132 1.00 0.00 O ATOM 0 H GLY A 50 -4.518 1.018 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.742 0.283 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.322 1.929 5.435 1.00 0.00 H new ATOM 714 N ASP A 51 -5.906 1.779 2.822 1.00 0.00 N ATOM 715 CA ASP A 51 -5.948 1.690 1.367 1.00 0.00 C ATOM 716 C ASP A 51 -5.538 0.298 0.896 1.00 0.00 C ATOM 717 O ASP A 51 -4.719 -0.366 1.530 1.00 0.00 O ATOM 718 CB ASP A 51 -5.032 2.743 0.743 1.00 0.00 C ATOM 719 CG ASP A 51 -5.607 4.142 0.840 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.564 4.444 0.096 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.102 4.936 1.661 1.00 0.00 O ATOM 0 H ASP A 51 -5.222 2.443 3.184 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.973 1.876 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.062 2.717 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.860 2.496 -0.305 1.00 0.00 H new ATOM 726 N ARG A 52 -6.115 -0.137 -0.220 1.00 0.00 N ATOM 727 CA ARG A 52 -5.811 -1.451 -0.774 1.00 0.00 C ATOM 728 C ARG A 52 -5.141 -1.323 -2.139 1.00 0.00 C ATOM 729 O ARG A 52 -5.574 -0.538 -2.983 1.00 0.00 O ATOM 730 CB ARG A 52 -7.089 -2.284 -0.897 1.00 0.00 C ATOM 731 CG ARG A 52 -6.831 -3.762 -1.140 1.00 0.00 C ATOM 732 CD ARG A 52 -8.124 -4.563 -1.125 1.00 0.00 C ATOM 733 NE ARG A 52 -8.832 -4.435 0.146 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.664 -3.438 0.427 1.00 0.00 C ATOM 735 NH1 ARG A 52 -9.891 -2.488 -0.469 1.00 0.00 N ATOM 736 NH2 ARG A 52 -10.271 -3.391 1.606 1.00 0.00 N ATOM 0 H ARG A 52 -6.795 0.401 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.122 -1.954 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.675 -2.171 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.692 -1.890 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.332 -3.892 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.155 -4.145 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.770 -4.224 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.902 -5.614 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.679 -5.150 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.427 -2.521 -1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.530 -1.724 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.099 -4.121 2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.910 -2.625 1.821 1.00 0.00 H new ATOM 750 N ILE A 53 -4.083 -2.099 -2.348 1.00 0.00 N ATOM 751 CA ILE A 53 -3.354 -2.073 -3.610 1.00 0.00 C ATOM 752 C ILE A 53 -3.765 -3.236 -4.507 1.00 0.00 C ATOM 753 O ILE A 53 -3.797 -4.387 -4.072 1.00 0.00 O ATOM 754 CB ILE A 53 -1.832 -2.129 -3.382 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.379 -0.946 -2.524 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.097 -2.137 -4.714 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.084 -1.198 -1.783 1.00 0.00 C ATOM 0 H ILE A 53 -3.711 -2.754 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.606 -1.133 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.592 -3.051 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.259 -0.070 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.161 -0.710 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.022 -2.177 -4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.402 -3.009 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.340 -1.231 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.176 -0.318 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.205 -2.054 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.711 -1.404 -2.500 1.00 0.00 H new ATOM 769 N ILE A 54 -4.079 -2.926 -5.760 1.00 0.00 N ATOM 770 CA ILE A 54 -4.485 -3.946 -6.719 1.00 0.00 C ATOM 771 C ILE A 54 -3.370 -4.238 -7.718 1.00 0.00 C ATOM 772 O ILE A 54 -2.953 -5.384 -7.882 1.00 0.00 O ATOM 773 CB ILE A 54 -5.750 -3.522 -7.489 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.891 -3.224 -6.514 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.158 -4.607 -8.475 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.147 -2.719 -7.190 1.00 0.00 C ATOM 0 H ILE A 54 -4.060 -1.978 -6.135 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.702 -4.848 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.529 -2.613 -8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.127 -4.130 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.555 -2.482 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.053 -4.293 -9.012 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.349 -4.775 -9.186 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.364 -5.531 -7.935 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.913 -2.529 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.926 -1.795 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.508 -3.469 -7.894 1.00 0.00 H new ATOM 788 N LYS A 55 -2.889 -3.192 -8.381 1.00 0.00 N ATOM 789 CA LYS A 55 -1.819 -3.333 -9.362 1.00 0.00 C ATOM 790 C LYS A 55 -0.586 -2.541 -8.939 1.00 0.00 C ATOM 791 O LYS A 55 -0.679 -1.605 -8.146 1.00 0.00 O ATOM 792 CB LYS A 55 -2.295 -2.861 -10.738 1.00 0.00 C ATOM 793 CG LYS A 55 -1.434 -3.363 -11.884 1.00 0.00 C ATOM 794 CD LYS A 55 -2.050 -3.028 -13.232 1.00 0.00 C ATOM 795 CE LYS A 55 -3.032 -4.100 -13.679 1.00 0.00 C ATOM 796 NZ LYS A 55 -3.268 -4.058 -15.148 1.00 0.00 N ATOM 0 H LYS A 55 -3.223 -2.236 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.549 -4.388 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.321 -3.194 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.308 -1.771 -10.755 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.441 -2.919 -11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.307 -4.442 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.562 -2.067 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.262 -2.922 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.649 -5.082 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.979 -3.967 -13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.943 -4.804 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.657 -3.130 -15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.369 -4.211 -15.649 1.00 0.00 H new ATOM 810 N VAL A 56 0.569 -2.922 -9.477 1.00 0.00 N ATOM 811 CA VAL A 56 1.820 -2.246 -9.157 1.00 0.00 C ATOM 812 C VAL A 56 2.798 -2.319 -10.325 1.00 0.00 C ATOM 813 O VAL A 56 3.313 -3.387 -10.651 1.00 0.00 O ATOM 814 CB VAL A 56 2.484 -2.854 -7.908 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.776 -2.122 -7.579 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.527 -2.821 -6.726 1.00 0.00 C ATOM 0 H VAL A 56 0.664 -3.695 -10.136 1.00 0.00 H new ATOM 0 HA VAL A 56 1.574 -1.203 -8.957 1.00 0.00 H new ATOM 0 HB VAL A 56 2.729 -3.895 -8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.230 -2.566 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.465 -2.204 -8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.560 -1.071 -7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.013 -3.255 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.249 -1.789 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.632 -3.396 -6.966 1.00 0.00 H new ATOM 826 N ASN A 57 3.048 -1.174 -10.952 1.00 0.00 N ATOM 827 CA ASN A 57 3.965 -1.107 -12.085 1.00 0.00 C ATOM 828 C ASN A 57 3.476 -1.986 -13.232 1.00 0.00 C ATOM 829 O ASN A 57 4.274 -2.550 -13.979 1.00 0.00 O ATOM 830 CB ASN A 57 5.369 -1.540 -11.658 1.00 0.00 C ATOM 831 CG ASN A 57 6.446 -0.987 -12.570 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.379 -1.138 -13.791 1.00 0.00 O ATOM 833 ND2 ASN A 57 7.448 -0.344 -11.981 1.00 0.00 N ATOM 0 H ASN A 57 2.629 -0.280 -10.695 1.00 0.00 H new ATOM 0 HA ASN A 57 4.001 -0.074 -12.432 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.555 -1.206 -10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.425 -2.629 -11.653 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.203 0.048 -12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.462 -0.243 -10.966 1.00 0.00 H new ATOM 840 N GLY A 58 2.158 -2.097 -13.366 1.00 0.00 N ATOM 841 CA GLY A 58 1.585 -2.909 -14.424 1.00 0.00 C ATOM 842 C GLY A 58 1.235 -4.307 -13.957 1.00 0.00 C ATOM 843 O GLY A 58 0.249 -4.892 -14.407 1.00 0.00 O ATOM 0 H GLY A 58 1.477 -1.639 -12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.688 -2.422 -14.806 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.291 -2.972 -15.252 1.00 0.00 H new ATOM 847 N THR A 59 2.044 -4.848 -13.052 1.00 0.00 N ATOM 848 CA THR A 59 1.817 -6.188 -12.525 1.00 0.00 C ATOM 849 C THR A 59 0.605 -6.217 -11.601 1.00 0.00 C ATOM 850 O THR A 59 0.589 -5.556 -10.563 1.00 0.00 O ATOM 851 CB THR A 59 3.047 -6.706 -11.757 1.00 0.00 C ATOM 852 OG1 THR A 59 4.213 -6.618 -12.583 1.00 0.00 O ATOM 853 CG2 THR A 59 2.841 -8.147 -11.314 1.00 0.00 C ATOM 0 H THR A 59 2.864 -4.378 -12.668 1.00 0.00 H new ATOM 0 HA THR A 59 1.633 -6.837 -13.381 1.00 0.00 H new ATOM 0 HB THR A 59 3.182 -6.086 -10.871 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.991 -6.948 -12.087 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.723 -8.491 -10.774 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.970 -8.206 -10.662 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.683 -8.778 -12.189 1.00 0.00 H new ATOM 861 N MET A 60 -0.408 -6.987 -11.984 1.00 0.00 N ATOM 862 CA MET A 60 -1.624 -7.103 -11.187 1.00 0.00 C ATOM 863 C MET A 60 -1.397 -8.004 -9.978 1.00 0.00 C ATOM 864 O MET A 60 -1.618 -9.213 -10.041 1.00 0.00 O ATOM 865 CB MET A 60 -2.768 -7.654 -12.041 1.00 0.00 C ATOM 866 CG MET A 60 -4.147 -7.303 -11.507 1.00 0.00 C ATOM 867 SD MET A 60 -5.476 -8.011 -12.499 1.00 0.00 S ATOM 868 CE MET A 60 -6.629 -6.641 -12.548 1.00 0.00 C ATOM 0 H MET A 60 -0.411 -7.540 -12.841 1.00 0.00 H new ATOM 0 HA MET A 60 -1.892 -6.108 -10.831 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.671 -7.269 -13.056 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.676 -8.738 -12.102 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.236 -7.658 -10.480 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.257 -6.219 -11.480 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.507 -6.925 -13.128 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.932 -6.384 -11.533 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.150 -5.779 -13.013 1.00 0.00 H new ATOM 878 N VAL A 61 -0.954 -7.407 -8.876 1.00 0.00 N ATOM 879 CA VAL A 61 -0.697 -8.155 -7.651 1.00 0.00 C ATOM 880 C VAL A 61 -1.907 -8.122 -6.723 1.00 0.00 C ATOM 881 O VAL A 61 -2.104 -7.165 -5.974 1.00 0.00 O ATOM 882 CB VAL A 61 0.527 -7.600 -6.899 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.764 -7.652 -7.782 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.261 -6.180 -6.424 1.00 0.00 C ATOM 0 H VAL A 61 -0.766 -6.407 -8.807 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.496 -9.185 -7.946 1.00 0.00 H new ATOM 0 HB VAL A 61 0.708 -8.224 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.619 -7.256 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.963 -8.685 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.597 -7.053 -8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.136 -5.803 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.054 -5.542 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.598 -6.176 -5.753 1.00 0.00 H new ATOM 894 N THR A 62 -2.716 -9.176 -6.778 1.00 0.00 N ATOM 895 CA THR A 62 -3.908 -9.268 -5.944 1.00 0.00 C ATOM 896 C THR A 62 -3.862 -10.506 -5.055 1.00 0.00 C ATOM 897 O THR A 62 -4.294 -10.470 -3.903 1.00 0.00 O ATOM 898 CB THR A 62 -5.190 -9.309 -6.797 1.00 0.00 C ATOM 899 OG1 THR A 62 -5.001 -10.176 -7.921 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.563 -7.916 -7.281 1.00 0.00 C ATOM 0 H THR A 62 -2.567 -9.977 -7.391 1.00 0.00 H new ATOM 0 HA THR A 62 -3.926 -8.375 -5.319 1.00 0.00 H new ATOM 0 HB THR A 62 -6.002 -9.689 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.772 -11.075 -7.606 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.471 -7.970 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.734 -7.266 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.752 -7.512 -7.887 1.00 0.00 H new ATOM 908 N ASN A 63 -3.336 -11.599 -5.597 1.00 0.00 N ATOM 909 CA ASN A 63 -3.235 -12.849 -4.853 1.00 0.00 C ATOM 910 C ASN A 63 -1.777 -13.276 -4.703 1.00 0.00 C ATOM 911 O ASN A 63 -1.362 -14.302 -5.242 1.00 0.00 O ATOM 912 CB ASN A 63 -4.031 -13.951 -5.553 1.00 0.00 C ATOM 913 CG ASN A 63 -3.738 -14.021 -7.040 1.00 0.00 C ATOM 914 OD1 ASN A 63 -4.058 -13.099 -7.791 1.00 0.00 O ATOM 915 ND2 ASN A 63 -3.125 -15.117 -7.471 1.00 0.00 N ATOM 0 H ASN A 63 -2.973 -11.645 -6.549 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.652 -12.685 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.797 -14.912 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.097 -13.777 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.901 -15.220 -8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.878 -15.856 -6.812 1.00 0.00 H new ATOM 922 N SER A 64 -1.006 -12.481 -3.968 1.00 0.00 N ATOM 923 CA SER A 64 0.406 -12.775 -3.750 1.00 0.00 C ATOM 924 C SER A 64 0.841 -12.345 -2.353 1.00 0.00 C ATOM 925 O SER A 64 0.042 -11.823 -1.575 1.00 0.00 O ATOM 926 CB SER A 64 1.263 -12.070 -4.803 1.00 0.00 C ATOM 927 OG SER A 64 1.273 -12.793 -6.021 1.00 0.00 O ATOM 0 H SER A 64 -1.335 -11.629 -3.514 1.00 0.00 H new ATOM 0 HA SER A 64 0.546 -13.852 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.878 -11.065 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.282 -11.961 -4.433 1.00 0.00 H new ATOM 0 HG SER A 64 0.527 -13.428 -6.031 1.00 0.00 H new ATOM 933 N SER A 65 2.113 -12.568 -2.041 1.00 0.00 N ATOM 934 CA SER A 65 2.655 -12.208 -0.736 1.00 0.00 C ATOM 935 C SER A 65 3.319 -10.835 -0.783 1.00 0.00 C ATOM 936 O SER A 65 3.632 -10.321 -1.858 1.00 0.00 O ATOM 937 CB SER A 65 3.664 -13.259 -0.271 1.00 0.00 C ATOM 938 OG SER A 65 3.012 -14.348 0.361 1.00 0.00 O ATOM 0 H SER A 65 2.788 -12.996 -2.674 1.00 0.00 H new ATOM 0 HA SER A 65 1.829 -12.169 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.237 -13.620 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.374 -12.805 0.420 1.00 0.00 H new ATOM 0 HG SER A 65 3.679 -15.007 0.647 1.00 0.00 H new ATOM 944 N HIS A 66 3.532 -10.247 0.389 1.00 0.00 N ATOM 945 CA HIS A 66 4.160 -8.933 0.483 1.00 0.00 C ATOM 946 C HIS A 66 5.596 -8.980 -0.029 1.00 0.00 C ATOM 947 O HIS A 66 5.961 -8.249 -0.952 1.00 0.00 O ATOM 948 CB HIS A 66 4.137 -8.436 1.929 1.00 0.00 C ATOM 949 CG HIS A 66 4.915 -7.173 2.140 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.670 -6.934 3.268 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.052 -6.077 1.358 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.237 -5.745 3.172 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.878 -5.204 2.021 1.00 0.00 N ATOM 0 H HIS A 66 3.279 -10.659 1.287 1.00 0.00 H new ATOM 0 HA HIS A 66 3.593 -8.241 -0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.103 -8.271 2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.539 -9.214 2.578 1.00 0.00 H new ATOM 0 HD1 HIS A 66 5.775 -7.575 4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.596 -5.919 0.392 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.884 -5.292 3.909 1.00 0.00 H new ATOM 962 N LEU A 67 6.406 -9.842 0.574 1.00 0.00 N ATOM 963 CA LEU A 67 7.804 -9.983 0.180 1.00 0.00 C ATOM 964 C LEU A 67 7.962 -9.829 -1.330 1.00 0.00 C ATOM 965 O LEU A 67 8.874 -9.151 -1.801 1.00 0.00 O ATOM 966 CB LEU A 67 8.344 -11.344 0.624 1.00 0.00 C ATOM 967 CG LEU A 67 9.845 -11.566 0.429 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.342 -12.678 1.339 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.151 -11.887 -1.026 1.00 0.00 C ATOM 0 H LEU A 67 6.119 -10.454 1.338 1.00 0.00 H new ATOM 0 HA LEU A 67 8.376 -9.194 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.111 -11.478 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.808 -12.121 0.079 1.00 0.00 H new ATOM 0 HG LEU A 67 10.367 -10.647 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.412 -12.822 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.157 -12.408 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.814 -13.603 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.223 -12.042 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.618 -12.792 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.831 -11.058 -1.657 1.00 0.00 H new ATOM 981 N GLU A 68 7.065 -10.461 -2.081 1.00 0.00 N ATOM 982 CA GLU A 68 7.105 -10.392 -3.537 1.00 0.00 C ATOM 983 C GLU A 68 6.808 -8.977 -4.023 1.00 0.00 C ATOM 984 O GLU A 68 7.636 -8.347 -4.681 1.00 0.00 O ATOM 985 CB GLU A 68 6.100 -11.374 -4.144 1.00 0.00 C ATOM 986 CG GLU A 68 6.664 -12.769 -4.354 1.00 0.00 C ATOM 987 CD GLU A 68 5.854 -13.582 -5.345 1.00 0.00 C ATOM 988 OE1 GLU A 68 5.261 -12.979 -6.264 1.00 0.00 O ATOM 989 OE2 GLU A 68 5.813 -14.822 -5.202 1.00 0.00 O ATOM 0 H GLU A 68 6.303 -11.026 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 68 8.109 -10.665 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.228 -11.438 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.755 -10.983 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.692 -12.692 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.694 -13.293 -3.398 1.00 0.00 H new ATOM 996 N VAL A 69 5.618 -8.483 -3.695 1.00 0.00 N ATOM 997 CA VAL A 69 5.210 -7.142 -4.096 1.00 0.00 C ATOM 998 C VAL A 69 6.286 -6.116 -3.760 1.00 0.00 C ATOM 999 O VAL A 69 6.416 -5.093 -4.433 1.00 0.00 O ATOM 1000 CB VAL A 69 3.891 -6.729 -3.415 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.419 -5.381 -3.939 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.827 -7.795 -3.626 1.00 0.00 C ATOM 0 H VAL A 69 4.920 -8.992 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 69 5.061 -7.167 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 69 4.069 -6.633 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.486 -5.106 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.176 -4.625 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.256 -5.446 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.902 -7.487 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.649 -7.925 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.167 -8.738 -3.197 1.00 0.00 H new ATOM 1012 N VAL A 70 7.057 -6.396 -2.714 1.00 0.00 N ATOM 1013 CA VAL A 70 8.124 -5.498 -2.289 1.00 0.00 C ATOM 1014 C VAL A 70 9.163 -5.318 -3.390 1.00 0.00 C ATOM 1015 O VAL A 70 9.364 -4.213 -3.895 1.00 0.00 O ATOM 1016 CB VAL A 70 8.824 -6.020 -1.019 1.00 0.00 C ATOM 1017 CG1 VAL A 70 9.952 -5.086 -0.610 1.00 0.00 C ATOM 1018 CG2 VAL A 70 7.820 -6.185 0.112 1.00 0.00 C ATOM 0 H VAL A 70 6.963 -7.238 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 70 7.660 -4.536 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 70 9.255 -6.997 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.435 -5.470 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.683 -5.023 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.548 -4.094 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.331 -6.554 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.359 -5.222 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.050 -6.897 -0.186 1.00 0.00 H new ATOM 1028 N LYS A 71 9.820 -6.412 -3.761 1.00 0.00 N ATOM 1029 CA LYS A 71 10.837 -6.377 -4.805 1.00 0.00 C ATOM 1030 C LYS A 71 10.340 -5.607 -6.024 1.00 0.00 C ATOM 1031 O LYS A 71 11.059 -4.779 -6.584 1.00 0.00 O ATOM 1032 CB LYS A 71 11.229 -7.799 -5.211 1.00 0.00 C ATOM 1033 CG LYS A 71 12.315 -8.404 -4.338 1.00 0.00 C ATOM 1034 CD LYS A 71 11.765 -8.849 -2.993 1.00 0.00 C ATOM 1035 CE LYS A 71 12.881 -9.232 -2.033 1.00 0.00 C ATOM 1036 NZ LYS A 71 13.739 -10.317 -2.585 1.00 0.00 N ATOM 0 H LYS A 71 9.666 -7.334 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 71 11.713 -5.865 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.345 -8.436 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.569 -7.791 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.762 -9.257 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.109 -7.673 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.170 -8.046 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.098 -9.699 -3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.494 -8.356 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.450 -9.556 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.378 -10.666 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.139 -11.097 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.300 -9.946 -3.378 1.00 0.00 H new ATOM 1050 N LEU A 72 9.106 -5.885 -6.430 1.00 0.00 N ATOM 1051 CA LEU A 72 8.511 -5.217 -7.583 1.00 0.00 C ATOM 1052 C LEU A 72 8.612 -3.702 -7.446 1.00 0.00 C ATOM 1053 O LEU A 72 8.798 -2.991 -8.434 1.00 0.00 O ATOM 1054 CB LEU A 72 7.046 -5.630 -7.736 1.00 0.00 C ATOM 1055 CG LEU A 72 6.798 -7.009 -8.348 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.343 -7.416 -8.175 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.185 -7.017 -9.820 1.00 0.00 C ATOM 0 H LEU A 72 8.498 -6.568 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 72 9.063 -5.520 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.577 -5.601 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.542 -4.885 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 72 7.421 -7.735 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.185 -8.400 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.099 -7.452 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.700 -6.689 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.002 -8.006 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.589 -6.279 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.242 -6.771 -9.920 1.00 0.00 H new ATOM 1069 N ILE A 73 8.492 -3.214 -6.216 1.00 0.00 N ATOM 1070 CA ILE A 73 8.573 -1.783 -5.950 1.00 0.00 C ATOM 1071 C ILE A 73 10.023 -1.312 -5.916 1.00 0.00 C ATOM 1072 O ILE A 73 10.364 -0.273 -6.482 1.00 0.00 O ATOM 1073 CB ILE A 73 7.895 -1.419 -4.617 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.412 -1.793 -4.654 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.065 0.064 -4.324 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.795 -1.956 -3.283 1.00 0.00 C ATOM 0 H ILE A 73 8.338 -3.789 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 73 8.049 -1.280 -6.763 1.00 0.00 H new ATOM 0 HB ILE A 73 8.373 -1.985 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.865 -1.024 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.294 -2.723 -5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.580 0.306 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.127 0.303 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.610 0.648 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.743 -2.221 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.316 -2.745 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.881 -1.020 -2.732 1.00 0.00 H new ATOM 1088 N LYS A 74 10.875 -2.084 -5.249 1.00 0.00 N ATOM 1089 CA LYS A 74 12.290 -1.749 -5.143 1.00 0.00 C ATOM 1090 C LYS A 74 12.833 -1.249 -6.478 1.00 0.00 C ATOM 1091 O LYS A 74 13.494 -0.213 -6.540 1.00 0.00 O ATOM 1092 CB LYS A 74 13.090 -2.969 -4.680 1.00 0.00 C ATOM 1093 CG LYS A 74 12.804 -3.375 -3.245 1.00 0.00 C ATOM 1094 CD LYS A 74 13.482 -2.443 -2.255 1.00 0.00 C ATOM 1095 CE LYS A 74 14.919 -2.863 -1.988 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.580 -1.977 -0.990 1.00 0.00 N ATOM 0 H LYS A 74 10.610 -2.946 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 74 12.395 -0.952 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.868 -3.809 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.154 -2.756 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.728 -3.370 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.148 -4.396 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.466 -1.424 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.924 -2.437 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.936 -3.892 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.482 -2.843 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.558 -2.297 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.587 -0.999 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.057 -2.016 -0.092 1.00 0.00 H new ATOM 1110 N SER A 75 12.548 -1.991 -7.543 1.00 0.00 N ATOM 1111 CA SER A 75 13.009 -1.624 -8.876 1.00 0.00 C ATOM 1112 C SER A 75 12.249 -0.409 -9.399 1.00 0.00 C ATOM 1113 O SER A 75 11.029 -0.446 -9.555 1.00 0.00 O ATOM 1114 CB SER A 75 12.839 -2.799 -9.840 1.00 0.00 C ATOM 1115 OG SER A 75 13.653 -2.639 -10.989 1.00 0.00 O ATOM 0 H SER A 75 12.000 -2.850 -7.508 1.00 0.00 H new ATOM 0 HA SER A 75 14.067 -1.368 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.098 -3.729 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.794 -2.879 -10.139 1.00 0.00 H new ATOM 0 HG SER A 75 13.527 -3.404 -11.588 1.00 0.00 H new ATOM 1121 N GLY A 76 12.980 0.669 -9.668 1.00 0.00 N ATOM 1122 CA GLY A 76 12.358 1.881 -10.169 1.00 0.00 C ATOM 1123 C GLY A 76 12.203 2.940 -9.096 1.00 0.00 C ATOM 1124 O GLY A 76 11.546 2.712 -8.081 1.00 0.00 O ATOM 0 H GLY A 76 13.991 0.724 -9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.957 2.282 -10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.378 1.639 -10.581 1.00 0.00 H new ATOM 1128 N ALA A 77 12.810 4.101 -9.320 1.00 0.00 N ATOM 1129 CA ALA A 77 12.735 5.199 -8.364 1.00 0.00 C ATOM 1130 C ALA A 77 11.340 5.304 -7.758 1.00 0.00 C ATOM 1131 O ALA A 77 11.175 5.229 -6.540 1.00 0.00 O ATOM 1132 CB ALA A 77 13.122 6.509 -9.034 1.00 0.00 C ATOM 0 H ALA A 77 13.359 4.305 -10.155 1.00 0.00 H new ATOM 0 HA ALA A 77 13.439 4.995 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.062 7.320 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.141 6.436 -9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.441 6.710 -9.861 1.00 0.00 H new ATOM 1138 N TYR A 78 10.340 5.480 -8.614 1.00 0.00 N ATOM 1139 CA TYR A 78 8.959 5.600 -8.161 1.00 0.00 C ATOM 1140 C TYR A 78 8.179 4.320 -8.448 1.00 0.00 C ATOM 1141 O TYR A 78 8.701 3.383 -9.052 1.00 0.00 O ATOM 1142 CB TYR A 78 8.278 6.789 -8.841 1.00 0.00 C ATOM 1143 CG TYR A 78 8.611 6.918 -10.311 1.00 0.00 C ATOM 1144 CD1 TYR A 78 9.745 7.605 -10.729 1.00 0.00 C ATOM 1145 CD2 TYR A 78 7.793 6.352 -11.281 1.00 0.00 C ATOM 1146 CE1 TYR A 78 10.052 7.726 -12.070 1.00 0.00 C ATOM 1147 CE2 TYR A 78 8.094 6.467 -12.624 1.00 0.00 C ATOM 1148 CZ TYR A 78 9.224 7.155 -13.014 1.00 0.00 C ATOM 1149 OH TYR A 78 9.528 7.272 -14.351 1.00 0.00 O ATOM 0 H TYR A 78 10.459 5.543 -9.625 1.00 0.00 H new ATOM 0 HA TYR A 78 8.970 5.764 -7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.198 6.691 -8.729 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.570 7.706 -8.329 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.397 8.052 -9.993 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.907 5.813 -10.980 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.936 8.265 -12.378 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.448 6.020 -13.365 1.00 0.00 H new ATOM 0 HH TYR A 78 8.845 6.813 -14.883 1.00 0.00 H new ATOM 1159 N VAL A 79 6.924 4.290 -8.010 1.00 0.00 N ATOM 1160 CA VAL A 79 6.070 3.127 -8.221 1.00 0.00 C ATOM 1161 C VAL A 79 4.616 3.542 -8.420 1.00 0.00 C ATOM 1162 O VAL A 79 4.111 4.423 -7.725 1.00 0.00 O ATOM 1163 CB VAL A 79 6.154 2.147 -7.036 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.666 2.811 -5.757 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.355 0.886 -7.330 1.00 0.00 C ATOM 0 H VAL A 79 6.477 5.057 -7.508 1.00 0.00 H new ATOM 0 HA VAL A 79 6.430 2.629 -9.121 1.00 0.00 H new ATOM 0 HB VAL A 79 7.197 1.864 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.733 2.103 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.285 3.681 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.630 3.125 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.425 0.205 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.311 1.148 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.756 0.400 -8.220 1.00 0.00 H new ATOM 1175 N ALA A 80 3.949 2.901 -9.375 1.00 0.00 N ATOM 1176 CA ALA A 80 2.553 3.202 -9.664 1.00 0.00 C ATOM 1177 C ALA A 80 1.622 2.221 -8.959 1.00 0.00 C ATOM 1178 O ALA A 80 1.544 1.049 -9.328 1.00 0.00 O ATOM 1179 CB ALA A 80 2.308 3.178 -11.166 1.00 0.00 C ATOM 0 H ALA A 80 4.353 2.171 -9.961 1.00 0.00 H new ATOM 0 HA ALA A 80 2.337 4.202 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.261 3.405 -11.368 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.940 3.923 -11.650 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.547 2.189 -11.558 1.00 0.00 H new ATOM 1185 N LEU A 81 0.919 2.707 -7.942 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.007 1.873 -7.184 1.00 0.00 C ATOM 1187 C LEU A 81 -1.453 2.242 -7.495 1.00 0.00 C ATOM 1188 O LEU A 81 -1.766 3.403 -7.764 1.00 0.00 O ATOM 1189 CB LEU A 81 0.257 2.017 -5.684 1.00 0.00 C ATOM 1190 CG LEU A 81 1.680 1.705 -5.219 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.835 2.003 -3.736 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.030 0.253 -5.512 1.00 0.00 C ATOM 0 H LEU A 81 0.973 3.674 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 81 0.154 0.836 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.016 3.038 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.430 1.361 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 81 2.370 2.343 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.854 1.775 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.627 3.057 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.135 1.391 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.046 0.048 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.335 -0.402 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.960 0.071 -6.584 1.00 0.00 H new ATOM 1204 N THR A 82 -2.334 1.247 -7.456 1.00 0.00 N ATOM 1205 CA THR A 82 -3.748 1.467 -7.733 1.00 0.00 C ATOM 1206 C THR A 82 -4.592 1.261 -6.481 1.00 0.00 C ATOM 1207 O THR A 82 -4.880 0.128 -6.093 1.00 0.00 O ATOM 1208 CB THR A 82 -4.256 0.527 -8.842 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.518 0.748 -10.049 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.739 0.747 -9.101 1.00 0.00 C ATOM 0 H THR A 82 -2.093 0.281 -7.235 1.00 0.00 H new ATOM 0 HA THR A 82 -3.847 2.499 -8.069 1.00 0.00 H new ATOM 0 HB THR A 82 -4.110 -0.501 -8.511 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.846 0.145 -10.748 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.075 0.072 -9.888 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.301 0.549 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.905 1.778 -9.412 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.988 2.362 -5.852 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.801 2.302 -4.642 1.00 0.00 C ATOM 1220 C LEU A 83 -7.263 2.610 -4.953 1.00 0.00 C ATOM 1221 O LEU A 83 -7.568 3.558 -5.677 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.271 3.286 -3.598 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.756 3.294 -3.391 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.323 4.560 -2.669 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.318 2.059 -2.617 1.00 0.00 C ATOM 0 H LEU A 83 -4.759 3.307 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.739 1.290 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.584 4.290 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.747 3.063 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.274 3.276 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.242 4.548 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.603 5.431 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.813 4.610 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.237 2.081 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.808 2.047 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.595 1.164 -3.174 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.162 1.804 -4.399 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.593 1.991 -4.615 1.00 0.00 C ATOM 1239 C LEU A 84 -10.298 2.347 -3.310 1.00 0.00 C ATOM 1240 O LEU A 84 -10.103 1.691 -2.288 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.209 0.724 -5.211 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.586 0.887 -5.856 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.935 -0.339 -6.685 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.646 1.135 -4.793 1.00 0.00 C ATOM 0 H LEU A 84 -7.926 1.015 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.725 2.816 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.523 0.328 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.286 -0.024 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.556 1.752 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.918 -0.205 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.190 -0.472 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.947 -1.220 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.620 1.249 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.675 0.290 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.403 2.044 -4.242 1.00 0.00 H new