USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 708 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -179:sc= 0 (180deg=-0.000248) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0628 K(o=0.063,f=-4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 110:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -45:sc= 0.0328 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.587 USER MOD Single : A 57 THR OG1 : rot 176:sc= 1 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 154:sc= -0.764 (180deg=-2.1) USER MOD Single : A 72 ASN : amide:sc= 0.205 K(o=0.21,f=-0.49) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 79 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0919) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.14) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.538 7.592 5.067 1.00 0.00 N ATOM 2 CA GLY A 1 -21.105 7.900 5.035 1.00 0.00 C ATOM 3 C GLY A 1 -20.720 8.690 3.796 1.00 0.00 C ATOM 4 O GLY A 1 -19.964 8.174 2.971 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.758 7.052 5.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.084 8.477 5.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.790 7.027 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.836 8.469 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.534 6.972 5.065 1.00 0.00 H new ATOM 8 N HIS A 2 -21.193 9.930 3.648 1.00 0.00 N ATOM 9 CA HIS A 2 -20.795 10.893 2.625 1.00 0.00 C ATOM 10 C HIS A 2 -20.455 12.204 3.336 1.00 0.00 C ATOM 11 O HIS A 2 -21.146 13.208 3.176 1.00 0.00 O ATOM 12 CB HIS A 2 -21.913 11.088 1.581 1.00 0.00 C ATOM 13 CG HIS A 2 -22.010 9.991 0.558 1.00 0.00 C ATOM 14 ND1 HIS A 2 -21.388 9.984 -0.670 1.00 0.00 N ATOM 15 CD2 HIS A 2 -22.819 8.894 0.622 1.00 0.00 C ATOM 16 CE1 HIS A 2 -21.811 8.901 -1.339 1.00 0.00 C ATOM 17 NE2 HIS A 2 -22.684 8.202 -0.591 1.00 0.00 N ATOM 0 H HIS A 2 -21.903 10.307 4.275 1.00 0.00 H new ATOM 0 HA HIS A 2 -19.925 10.530 2.077 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -22.868 11.168 2.101 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -21.750 12.035 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -23.447 8.611 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -21.496 8.629 -2.336 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -23.156 7.337 -0.855 1.00 0.00 H new ATOM 25 N MET A 3 -19.388 12.213 4.131 1.00 0.00 N ATOM 26 CA MET A 3 -18.877 13.413 4.779 1.00 0.00 C ATOM 27 C MET A 3 -17.387 13.439 4.497 1.00 0.00 C ATOM 28 O MET A 3 -16.677 12.519 4.897 1.00 0.00 O ATOM 29 CB MET A 3 -19.185 13.411 6.281 1.00 0.00 C ATOM 30 CG MET A 3 -20.696 13.364 6.552 1.00 0.00 C ATOM 31 SD MET A 3 -21.206 14.045 8.151 1.00 0.00 S ATOM 32 CE MET A 3 -20.391 12.872 9.263 1.00 0.00 C ATOM 0 H MET A 3 -18.848 11.374 4.345 1.00 0.00 H new ATOM 0 HA MET A 3 -19.356 14.312 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.705 12.552 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.761 14.304 6.741 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.209 13.910 5.761 1.00 0.00 H new ATOM 0 HG3 MET A 3 -21.029 12.328 6.492 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.616 13.134 10.297 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.752 11.864 9.057 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.313 12.910 9.106 1.00 0.00 H new ATOM 42 N VAL A 4 -16.923 14.438 3.751 1.00 0.00 N ATOM 43 CA VAL A 4 -15.595 14.441 3.130 1.00 0.00 C ATOM 44 C VAL A 4 -14.527 14.946 4.124 1.00 0.00 C ATOM 45 O VAL A 4 -13.403 15.281 3.758 1.00 0.00 O ATOM 46 CB VAL A 4 -15.667 15.209 1.786 1.00 0.00 C ATOM 47 CG1 VAL A 4 -14.471 14.900 0.871 1.00 0.00 C ATOM 48 CG2 VAL A 4 -16.932 14.836 0.979 1.00 0.00 C ATOM 0 H VAL A 4 -17.463 15.281 3.556 1.00 0.00 H new ATOM 0 HA VAL A 4 -15.274 13.429 2.883 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.674 16.262 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.568 15.462 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.546 15.185 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.449 13.833 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.945 15.396 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.924 13.768 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -17.820 15.081 1.561 1.00 0.00 H new ATOM 58 N GLU A 5 -14.870 14.986 5.409 1.00 0.00 N ATOM 59 CA GLU A 5 -13.993 15.306 6.515 1.00 0.00 C ATOM 60 C GLU A 5 -13.145 14.080 6.807 1.00 0.00 C ATOM 61 O GLU A 5 -13.524 13.195 7.575 1.00 0.00 O ATOM 62 CB GLU A 5 -14.834 15.756 7.723 1.00 0.00 C ATOM 63 CG GLU A 5 -15.367 17.171 7.473 1.00 0.00 C ATOM 64 CD GLU A 5 -14.199 18.143 7.343 1.00 0.00 C ATOM 65 OE1 GLU A 5 -13.448 18.303 8.333 1.00 0.00 O ATOM 66 OE2 GLU A 5 -13.960 18.678 6.239 1.00 0.00 O ATOM 0 H GLU A 5 -15.822 14.784 5.716 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.325 16.133 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.663 15.066 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.228 15.738 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.970 17.188 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.017 17.476 8.293 1.00 0.00 H new ATOM 73 N ALA A 6 -12.046 13.976 6.075 1.00 0.00 N ATOM 74 CA ALA A 6 -10.830 13.263 6.431 1.00 0.00 C ATOM 75 C ALA A 6 -9.765 13.541 5.370 1.00 0.00 C ATOM 76 O ALA A 6 -10.082 13.630 4.182 1.00 0.00 O ATOM 77 CB ALA A 6 -11.069 11.747 6.487 1.00 0.00 C ATOM 0 H ALA A 6 -11.976 14.416 5.157 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.508 13.606 7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.141 11.242 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.832 11.526 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.404 11.395 5.511 1.00 0.00 H new ATOM 83 N ASP A 7 -8.498 13.506 5.775 1.00 0.00 N ATOM 84 CA ASP A 7 -7.341 13.353 4.893 1.00 0.00 C ATOM 85 C ASP A 7 -6.434 12.279 5.509 1.00 0.00 C ATOM 86 O ASP A 7 -6.758 11.702 6.553 1.00 0.00 O ATOM 87 CB ASP A 7 -6.621 14.700 4.686 1.00 0.00 C ATOM 88 CG ASP A 7 -5.558 14.583 3.587 1.00 0.00 C ATOM 89 OD1 ASP A 7 -5.952 14.379 2.418 1.00 0.00 O ATOM 90 OD2 ASP A 7 -4.345 14.574 3.903 1.00 0.00 O ATOM 0 H ASP A 7 -8.239 13.586 6.758 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.647 13.034 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.346 15.468 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.154 15.015 5.619 1.00 0.00 H new ATOM 95 N ARG A 8 -5.334 11.920 4.856 1.00 0.00 N ATOM 96 CA ARG A 8 -4.252 11.091 5.345 1.00 0.00 C ATOM 97 C ARG A 8 -3.020 11.416 4.511 1.00 0.00 C ATOM 98 O ARG A 8 -3.206 11.735 3.343 1.00 0.00 O ATOM 99 CB ARG A 8 -4.625 9.617 5.186 1.00 0.00 C ATOM 100 CG ARG A 8 -5.136 9.175 3.804 1.00 0.00 C ATOM 101 CD ARG A 8 -5.980 7.889 3.873 1.00 0.00 C ATOM 102 NE ARG A 8 -7.073 8.009 2.911 1.00 0.00 N ATOM 103 CZ ARG A 8 -8.068 7.185 2.596 1.00 0.00 C ATOM 104 NH1 ARG A 8 -8.158 5.971 3.125 1.00 0.00 N ATOM 105 NH2 ARG A 8 -8.974 7.628 1.735 1.00 0.00 N ATOM 0 H ARG A 8 -5.169 12.228 3.898 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.058 11.281 6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.749 9.017 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.392 9.379 5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.734 9.975 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.287 9.013 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.366 7.018 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.373 7.746 4.879 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.073 8.883 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.454 5.651 3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.931 5.358 2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.890 8.566 1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.755 7.031 1.464 1.00 0.00 H new ATOM 119 N PRO A 9 -1.795 11.228 5.018 1.00 0.00 N ATOM 120 CA PRO A 9 -0.575 11.409 4.242 1.00 0.00 C ATOM 121 C PRO A 9 -0.373 10.236 3.267 1.00 0.00 C ATOM 122 O PRO A 9 0.470 9.366 3.473 1.00 0.00 O ATOM 123 CB PRO A 9 0.530 11.524 5.290 1.00 0.00 C ATOM 124 CG PRO A 9 0.029 10.635 6.424 1.00 0.00 C ATOM 125 CD PRO A 9 -1.474 10.901 6.398 1.00 0.00 C ATOM 0 HA PRO A 9 -0.594 12.293 3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.489 11.181 4.903 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.669 12.554 5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.260 9.584 6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.474 10.906 7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.032 10.026 6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.737 11.721 7.066 1.00 0.00 H new ATOM 133 N GLY A 10 -1.213 10.173 2.236 1.00 0.00 N ATOM 134 CA GLY A 10 -1.080 9.316 1.057 1.00 0.00 C ATOM 135 C GLY A 10 -1.084 7.820 1.363 1.00 0.00 C ATOM 136 O GLY A 10 -0.532 7.020 0.615 1.00 0.00 O ATOM 0 H GLY A 10 -2.053 10.751 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.896 9.536 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.152 9.567 0.543 1.00 0.00 H new ATOM 140 N LYS A 11 -1.700 7.421 2.471 1.00 0.00 N ATOM 141 CA LYS A 11 -1.815 6.030 2.894 1.00 0.00 C ATOM 142 C LYS A 11 -2.702 5.243 1.925 1.00 0.00 C ATOM 143 O LYS A 11 -3.681 5.792 1.408 1.00 0.00 O ATOM 144 CB LYS A 11 -2.405 6.022 4.310 1.00 0.00 C ATOM 145 CG LYS A 11 -1.507 6.759 5.318 1.00 0.00 C ATOM 146 CD LYS A 11 -1.852 6.431 6.771 1.00 0.00 C ATOM 147 CE LYS A 11 -3.091 7.191 7.239 1.00 0.00 C ATOM 148 NZ LYS A 11 -3.457 6.877 8.627 1.00 0.00 N ATOM 0 H LYS A 11 -2.145 8.074 3.117 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.837 5.550 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.390 6.489 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.546 4.992 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.466 6.497 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.599 7.834 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.022 5.359 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.007 6.682 7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.911 8.262 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.928 6.952 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.304 7.419 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.656 5.860 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.671 7.130 9.259 1.00 0.00 H new ATOM 162 N LEU A 12 -2.468 3.935 1.794 1.00 0.00 N ATOM 163 CA LEU A 12 -3.215 3.018 0.916 1.00 0.00 C ATOM 164 C LEU A 12 -3.835 1.870 1.722 1.00 0.00 C ATOM 165 O LEU A 12 -3.738 1.888 2.952 1.00 0.00 O ATOM 166 CB LEU A 12 -2.257 2.471 -0.169 1.00 0.00 C ATOM 167 CG LEU A 12 -2.718 2.620 -1.628 1.00 0.00 C ATOM 168 CD1 LEU A 12 -4.115 2.101 -1.932 1.00 0.00 C ATOM 169 CD2 LEU A 12 -2.720 4.079 -2.055 1.00 0.00 C ATOM 0 H LEU A 12 -1.727 3.464 2.313 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.032 3.561 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.296 2.975 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.086 1.413 0.029 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.996 2.012 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.339 2.255 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.166 1.037 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.843 2.639 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.050 4.154 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.398 4.644 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.713 4.486 -1.965 1.00 0.00 H new ATOM 181 N PHE A 13 -4.437 0.871 1.065 1.00 0.00 N ATOM 182 CA PHE A 13 -4.608 -0.487 1.585 1.00 0.00 C ATOM 183 C PHE A 13 -4.265 -1.478 0.469 1.00 0.00 C ATOM 184 O PHE A 13 -4.807 -1.358 -0.628 1.00 0.00 O ATOM 185 CB PHE A 13 -6.053 -0.732 2.042 1.00 0.00 C ATOM 186 CG PHE A 13 -6.268 -2.088 2.687 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.382 -3.252 1.898 1.00 0.00 C ATOM 188 CD2 PHE A 13 -6.319 -2.185 4.087 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.484 -4.509 2.517 1.00 0.00 C ATOM 190 CE2 PHE A 13 -6.459 -3.440 4.694 1.00 0.00 C ATOM 191 CZ PHE A 13 -6.525 -4.608 3.918 1.00 0.00 C ATOM 0 H PHE A 13 -4.829 0.991 0.131 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.951 -0.619 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.337 0.046 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.717 -0.639 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.391 -3.177 0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.250 -1.295 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.531 -5.403 1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.517 -3.510 5.770 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.607 -5.574 4.394 1.00 0.00 H new ATOM 201 N ILE A 14 -3.444 -2.493 0.754 1.00 0.00 N ATOM 202 CA ILE A 14 -3.229 -3.649 -0.112 1.00 0.00 C ATOM 203 C ILE A 14 -3.405 -4.913 0.745 1.00 0.00 C ATOM 204 O ILE A 14 -3.185 -4.886 1.963 1.00 0.00 O ATOM 205 CB ILE A 14 -1.827 -3.606 -0.775 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.466 -2.255 -1.436 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.728 -4.680 -1.880 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.876 -1.219 -0.475 1.00 0.00 C ATOM 0 H ILE A 14 -2.899 -2.532 1.615 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.953 -3.646 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.131 -3.778 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.751 -2.437 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.362 -1.838 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.740 -4.640 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.887 -5.666 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.488 -4.492 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.652 -0.303 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.596 -1.004 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.040 -1.612 -0.034 1.00 0.00 H new ATOM 220 N GLY A 15 -3.798 -6.025 0.121 1.00 0.00 N ATOM 221 CA GLY A 15 -3.827 -7.348 0.729 1.00 0.00 C ATOM 222 C GLY A 15 -3.807 -8.434 -0.338 1.00 0.00 C ATOM 223 O GLY A 15 -3.623 -8.151 -1.520 1.00 0.00 O ATOM 0 H GLY A 15 -4.113 -6.025 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.970 -7.467 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.722 -7.452 1.343 1.00 0.00 H new ATOM 227 N GLY A 16 -3.940 -9.687 0.087 1.00 0.00 N ATOM 228 CA GLY A 16 -3.866 -10.860 -0.772 1.00 0.00 C ATOM 229 C GLY A 16 -2.447 -11.212 -1.212 1.00 0.00 C ATOM 230 O GLY A 16 -2.291 -11.994 -2.143 1.00 0.00 O ATOM 0 H GLY A 16 -4.107 -9.919 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.295 -11.712 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.479 -10.690 -1.657 1.00 0.00 H new ATOM 234 N LEU A 17 -1.417 -10.603 -0.617 1.00 0.00 N ATOM 235 CA LEU A 17 -0.037 -10.668 -1.114 1.00 0.00 C ATOM 236 C LEU A 17 0.550 -12.080 -1.074 1.00 0.00 C ATOM 237 O LEU A 17 0.080 -12.950 -0.334 1.00 0.00 O ATOM 238 CB LEU A 17 0.885 -9.724 -0.325 1.00 0.00 C ATOM 239 CG LEU A 17 0.523 -8.235 -0.426 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.631 -7.410 0.214 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.331 -7.756 -1.865 1.00 0.00 C ATOM 0 H LEU A 17 -1.517 -10.045 0.231 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.089 -10.354 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.868 -10.017 0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.907 -9.859 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.428 -8.105 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.382 -6.351 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.736 -7.692 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.570 -7.595 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.077 -6.696 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.254 -7.908 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.475 -8.322 -2.332 1.00 0.00 H new ATOM 253 N ASN A 18 1.610 -12.297 -1.857 1.00 0.00 N ATOM 254 CA ASN A 18 2.405 -13.521 -1.811 1.00 0.00 C ATOM 255 C ASN A 18 3.343 -13.515 -0.595 1.00 0.00 C ATOM 256 O ASN A 18 3.342 -12.566 0.191 1.00 0.00 O ATOM 257 CB ASN A 18 3.216 -13.719 -3.111 1.00 0.00 C ATOM 258 CG ASN A 18 3.496 -15.199 -3.376 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.955 -16.071 -2.698 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.332 -15.525 -4.337 1.00 0.00 N ATOM 0 H ASN A 18 1.941 -11.621 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 18 1.712 -14.357 -1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.667 -13.295 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.159 -13.176 -3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.536 -16.507 -4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.777 -14.796 -4.895 1.00 0.00 H new ATOM 267 N THR A 19 4.159 -14.562 -0.440 1.00 0.00 N ATOM 268 CA THR A 19 4.935 -14.803 0.767 1.00 0.00 C ATOM 269 C THR A 19 6.452 -14.787 0.553 1.00 0.00 C ATOM 270 O THR A 19 7.170 -15.169 1.476 1.00 0.00 O ATOM 271 CB THR A 19 4.428 -16.061 1.514 1.00 0.00 C ATOM 272 OG1 THR A 19 3.305 -16.688 0.912 1.00 0.00 O ATOM 273 CG2 THR A 19 4.002 -15.664 2.926 1.00 0.00 C ATOM 0 H THR A 19 4.297 -15.270 -1.161 1.00 0.00 H new ATOM 0 HA THR A 19 4.761 -13.948 1.421 1.00 0.00 H new ATOM 0 HB THR A 19 5.258 -16.767 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.047 -17.473 1.439 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.643 -16.545 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.854 -15.240 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.204 -14.924 2.871 1.00 0.00 H new ATOM 281 N GLU A 20 6.969 -14.311 -0.587 1.00 0.00 N ATOM 282 CA GLU A 20 8.413 -14.109 -0.773 1.00 0.00 C ATOM 283 C GLU A 20 8.701 -12.778 -1.498 1.00 0.00 C ATOM 284 O GLU A 20 9.753 -12.595 -2.122 1.00 0.00 O ATOM 285 CB GLU A 20 9.016 -15.338 -1.475 1.00 0.00 C ATOM 286 CG GLU A 20 10.446 -15.628 -0.998 1.00 0.00 C ATOM 287 CD GLU A 20 10.469 -16.522 0.242 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.185 -17.735 0.080 1.00 0.00 O ATOM 289 OE2 GLU A 20 10.853 -16.061 1.343 1.00 0.00 O ATOM 0 H GLU A 20 6.406 -14.057 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 20 8.903 -14.020 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.387 -16.208 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.019 -15.175 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.005 -16.108 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.951 -14.688 -0.776 1.00 0.00 H new ATOM 296 N THR A 21 7.750 -11.841 -1.465 1.00 0.00 N ATOM 297 CA THR A 21 7.888 -10.458 -1.885 1.00 0.00 C ATOM 298 C THR A 21 8.898 -9.761 -0.952 1.00 0.00 C ATOM 299 O THR A 21 9.116 -10.241 0.162 1.00 0.00 O ATOM 300 CB THR A 21 6.466 -9.867 -1.805 1.00 0.00 C ATOM 301 OG1 THR A 21 5.546 -10.665 -2.532 1.00 0.00 O ATOM 302 CG2 THR A 21 6.372 -8.423 -2.266 1.00 0.00 C ATOM 0 H THR A 21 6.811 -12.047 -1.123 1.00 0.00 H new ATOM 0 HA THR A 21 8.275 -10.333 -2.896 1.00 0.00 H new ATOM 0 HB THR A 21 6.208 -9.873 -0.746 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.650 -10.273 -2.467 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.341 -8.080 -2.180 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.015 -7.800 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.692 -8.351 -3.305 1.00 0.00 H new ATOM 310 N ASN A 22 9.495 -8.631 -1.355 1.00 0.00 N ATOM 311 CA ASN A 22 10.293 -7.789 -0.457 1.00 0.00 C ATOM 312 C ASN A 22 9.974 -6.317 -0.740 1.00 0.00 C ATOM 313 O ASN A 22 9.326 -6.013 -1.739 1.00 0.00 O ATOM 314 CB ASN A 22 11.805 -7.995 -0.653 1.00 0.00 C ATOM 315 CG ASN A 22 12.346 -9.321 -0.178 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.982 -9.412 0.870 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.191 -10.363 -0.958 1.00 0.00 N ATOM 0 H ASN A 22 9.438 -8.277 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 22 10.038 -8.068 0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.034 -7.887 -1.713 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.334 -7.198 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.600 -11.260 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.661 -10.276 -1.825 1.00 0.00 H new ATOM 324 N GLU A 23 10.488 -5.388 0.070 1.00 0.00 N ATOM 325 CA GLU A 23 10.190 -3.945 -0.045 1.00 0.00 C ATOM 326 C GLU A 23 10.656 -3.373 -1.387 1.00 0.00 C ATOM 327 O GLU A 23 10.008 -2.503 -1.957 1.00 0.00 O ATOM 328 CB GLU A 23 10.790 -3.085 1.074 1.00 0.00 C ATOM 329 CG GLU A 23 10.698 -3.769 2.432 1.00 0.00 C ATOM 330 CD GLU A 23 11.832 -4.769 2.663 1.00 0.00 C ATOM 331 OE1 GLU A 23 13.025 -4.430 2.511 1.00 0.00 O ATOM 332 OE2 GLU A 23 11.551 -5.951 2.948 1.00 0.00 O ATOM 0 H GLU A 23 11.128 -5.611 0.832 1.00 0.00 H new ATOM 0 HA GLU A 23 9.104 -3.894 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.834 -2.871 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.270 -2.128 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.719 -3.014 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.741 -4.285 2.511 1.00 0.00 H new ATOM 339 N LYS A 24 11.767 -3.879 -1.916 1.00 0.00 N ATOM 340 CA LYS A 24 12.263 -3.540 -3.243 1.00 0.00 C ATOM 341 C LYS A 24 11.271 -3.965 -4.326 1.00 0.00 C ATOM 342 O LYS A 24 11.027 -3.215 -5.263 1.00 0.00 O ATOM 343 CB LYS A 24 13.665 -4.141 -3.437 1.00 0.00 C ATOM 344 CG LYS A 24 13.730 -5.653 -3.148 1.00 0.00 C ATOM 345 CD LYS A 24 15.163 -6.196 -3.144 1.00 0.00 C ATOM 346 CE LYS A 24 15.774 -5.952 -1.758 1.00 0.00 C ATOM 347 NZ LYS A 24 17.157 -6.440 -1.647 1.00 0.00 N ATOM 0 H LYS A 24 12.358 -4.549 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 24 12.356 -2.458 -3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.991 -3.960 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.367 -3.624 -2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.268 -5.854 -2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.146 -6.187 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.165 -7.261 -3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.757 -5.701 -3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.752 -4.884 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.159 -6.444 -1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.517 -6.248 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.179 -7.464 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.754 -5.953 -2.346 1.00 0.00 H new ATOM 361 N ALA A 25 10.650 -5.139 -4.186 1.00 0.00 N ATOM 362 CA ALA A 25 9.650 -5.596 -5.139 1.00 0.00 C ATOM 363 C ALA A 25 8.408 -4.706 -5.066 1.00 0.00 C ATOM 364 O ALA A 25 7.824 -4.400 -6.102 1.00 0.00 O ATOM 365 CB ALA A 25 9.306 -7.065 -4.878 1.00 0.00 C ATOM 0 H ALA A 25 10.826 -5.787 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 25 10.054 -5.523 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.557 -7.397 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.204 -7.673 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.912 -7.172 -3.867 1.00 0.00 H new ATOM 371 N LEU A 26 8.023 -4.267 -3.865 1.00 0.00 N ATOM 372 CA LEU A 26 6.945 -3.307 -3.628 1.00 0.00 C ATOM 373 C LEU A 26 7.190 -1.990 -4.362 1.00 0.00 C ATOM 374 O LEU A 26 6.237 -1.407 -4.883 1.00 0.00 O ATOM 375 CB LEU A 26 6.833 -3.041 -2.119 1.00 0.00 C ATOM 376 CG LEU A 26 5.789 -3.846 -1.341 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.377 -3.360 -1.610 1.00 0.00 C ATOM 378 CD2 LEU A 26 5.870 -5.342 -1.604 1.00 0.00 C ATOM 0 H LEU A 26 8.469 -4.581 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 26 6.018 -3.733 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.808 -3.230 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.616 -1.982 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 26 6.028 -3.678 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.670 -3.960 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.289 -2.315 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.156 -3.455 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.104 -5.856 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.710 -5.534 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.854 -5.710 -1.313 1.00 0.00 H new ATOM 390 N GLU A 27 8.433 -1.504 -4.414 1.00 0.00 N ATOM 391 CA GLU A 27 8.764 -0.336 -5.233 1.00 0.00 C ATOM 392 C GLU A 27 8.381 -0.625 -6.681 1.00 0.00 C ATOM 393 O GLU A 27 7.690 0.172 -7.308 1.00 0.00 O ATOM 394 CB GLU A 27 10.255 0.022 -5.176 1.00 0.00 C ATOM 395 CG GLU A 27 10.772 0.365 -3.776 1.00 0.00 C ATOM 396 CD GLU A 27 12.297 0.261 -3.691 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.996 0.599 -4.674 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.835 -0.055 -2.605 1.00 0.00 O ATOM 0 H GLU A 27 9.222 -1.899 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 27 8.207 0.513 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.832 -0.816 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.437 0.871 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.461 1.376 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.321 -0.308 -3.047 1.00 0.00 H new ATOM 405 N ALA A 28 8.772 -1.796 -7.192 1.00 0.00 N ATOM 406 CA ALA A 28 8.505 -2.164 -8.573 1.00 0.00 C ATOM 407 C ALA A 28 7.002 -2.271 -8.869 1.00 0.00 C ATOM 408 O ALA A 28 6.603 -2.063 -10.021 1.00 0.00 O ATOM 409 CB ALA A 28 9.248 -3.450 -8.950 1.00 0.00 C ATOM 0 H ALA A 28 9.277 -2.505 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 28 8.886 -1.358 -9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.032 -3.704 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.321 -3.299 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.921 -4.263 -8.302 1.00 0.00 H new ATOM 415 N VAL A 29 6.168 -2.574 -7.864 1.00 0.00 N ATOM 416 CA VAL A 29 4.714 -2.575 -7.994 1.00 0.00 C ATOM 417 C VAL A 29 4.224 -1.150 -8.266 1.00 0.00 C ATOM 418 O VAL A 29 3.664 -0.908 -9.332 1.00 0.00 O ATOM 419 CB VAL A 29 4.017 -3.213 -6.767 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.496 -3.218 -6.938 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.420 -4.678 -6.535 1.00 0.00 C ATOM 0 H VAL A 29 6.493 -2.827 -6.931 1.00 0.00 H new ATOM 0 HA VAL A 29 4.441 -3.202 -8.843 1.00 0.00 H new ATOM 0 HB VAL A 29 4.333 -2.602 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.033 -3.672 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.139 -2.194 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.232 -3.792 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.897 -5.065 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.154 -5.271 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.496 -4.738 -6.370 1.00 0.00 H new ATOM 431 N PHE A 30 4.369 -0.225 -7.313 1.00 0.00 N ATOM 432 CA PHE A 30 3.627 1.037 -7.349 1.00 0.00 C ATOM 433 C PHE A 30 4.479 2.223 -7.820 1.00 0.00 C ATOM 434 O PHE A 30 3.951 3.316 -8.021 1.00 0.00 O ATOM 435 CB PHE A 30 2.973 1.309 -5.986 1.00 0.00 C ATOM 436 CG PHE A 30 1.885 0.333 -5.576 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.568 0.522 -6.037 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.163 -0.731 -4.697 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.454 -0.367 -5.662 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.140 -1.613 -4.307 1.00 0.00 C ATOM 441 CZ PHE A 30 -0.166 -1.440 -4.802 1.00 0.00 C ATOM 0 H PHE A 30 4.991 -0.326 -6.511 1.00 0.00 H new ATOM 0 HA PHE A 30 2.841 0.928 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.750 1.301 -5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.549 2.313 -6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.341 1.357 -6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.166 -0.870 -4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.458 -0.226 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.356 -2.424 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.946 -2.132 -4.521 1.00 0.00 H new ATOM 451 N GLY A 31 5.781 2.043 -8.057 1.00 0.00 N ATOM 452 CA GLY A 31 6.702 3.123 -8.408 1.00 0.00 C ATOM 453 C GLY A 31 6.419 3.767 -9.769 1.00 0.00 C ATOM 454 O GLY A 31 7.057 4.759 -10.131 1.00 0.00 O ATOM 0 H GLY A 31 6.230 1.128 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.654 3.892 -7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.720 2.733 -8.407 1.00 0.00 H new ATOM 458 N LYS A 32 5.465 3.217 -10.524 1.00 0.00 N ATOM 459 CA LYS A 32 5.025 3.679 -11.834 1.00 0.00 C ATOM 460 C LYS A 32 3.972 4.789 -11.764 1.00 0.00 C ATOM 461 O LYS A 32 3.603 5.298 -12.819 1.00 0.00 O ATOM 462 CB LYS A 32 4.526 2.468 -12.633 1.00 0.00 C ATOM 463 CG LYS A 32 3.263 1.804 -12.036 1.00 0.00 C ATOM 464 CD LYS A 32 3.325 0.277 -12.166 1.00 0.00 C ATOM 465 CE LYS A 32 3.437 -0.153 -13.626 1.00 0.00 C ATOM 466 NZ LYS A 32 3.532 -1.616 -13.775 1.00 0.00 N ATOM 0 H LYS A 32 4.953 2.391 -10.216 1.00 0.00 H new ATOM 0 HA LYS A 32 5.875 4.135 -12.341 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.312 2.782 -13.655 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.323 1.727 -12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.167 2.079 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.376 2.179 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.180 -0.103 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.432 -0.164 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.569 0.210 -14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.315 0.313 -14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.606 -1.858 -14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.375 -1.962 -13.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.682 -2.062 -13.374 1.00 0.00 H new ATOM 480 N TYR A 33 3.484 5.157 -10.578 1.00 0.00 N ATOM 481 CA TYR A 33 2.376 6.097 -10.434 1.00 0.00 C ATOM 482 C TYR A 33 2.824 7.479 -9.949 1.00 0.00 C ATOM 483 O TYR A 33 2.100 8.443 -10.196 1.00 0.00 O ATOM 484 CB TYR A 33 1.358 5.497 -9.462 1.00 0.00 C ATOM 485 CG TYR A 33 0.665 4.235 -9.942 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.176 4.274 -11.070 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.851 3.021 -9.255 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.812 3.104 -11.520 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.216 1.845 -9.691 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.615 1.885 -10.832 1.00 0.00 C ATOM 491 OH TYR A 33 -1.206 0.745 -11.279 1.00 0.00 O ATOM 0 H TYR A 33 3.848 4.810 -9.691 1.00 0.00 H new ATOM 0 HA TYR A 33 1.931 6.251 -11.417 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.864 5.278 -8.522 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.599 6.249 -9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.333 5.206 -11.592 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.488 2.992 -8.384 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.450 3.136 -12.390 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.363 0.918 -9.157 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.523 0.144 -11.643 1.00 0.00 H new ATOM 501 N GLY A 34 3.990 7.628 -9.315 1.00 0.00 N ATOM 502 CA GLY A 34 4.375 8.878 -8.675 1.00 0.00 C ATOM 503 C GLY A 34 5.708 8.750 -7.958 1.00 0.00 C ATOM 504 O GLY A 34 6.722 8.490 -8.610 1.00 0.00 O ATOM 0 H GLY A 34 4.687 6.887 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.438 9.667 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.605 9.176 -7.963 1.00 0.00 H new ATOM 508 N ARG A 35 5.727 9.003 -6.648 1.00 0.00 N ATOM 509 CA ARG A 35 6.925 9.063 -5.822 1.00 0.00 C ATOM 510 C ARG A 35 6.616 8.447 -4.452 1.00 0.00 C ATOM 511 O ARG A 35 6.157 9.130 -3.534 1.00 0.00 O ATOM 512 CB ARG A 35 7.419 10.523 -5.748 1.00 0.00 C ATOM 513 CG ARG A 35 8.851 10.660 -5.209 1.00 0.00 C ATOM 514 CD ARG A 35 9.907 10.215 -6.233 1.00 0.00 C ATOM 515 NE ARG A 35 11.269 10.311 -5.676 1.00 0.00 N ATOM 516 CZ ARG A 35 12.244 9.401 -5.807 1.00 0.00 C ATOM 517 NH1 ARG A 35 12.104 8.359 -6.622 1.00 0.00 N ATOM 518 NH2 ARG A 35 13.366 9.530 -5.114 1.00 0.00 N ATOM 0 H ARG A 35 4.874 9.178 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 35 7.739 8.481 -6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.370 10.965 -6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.744 11.095 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.034 11.698 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.954 10.064 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.709 9.188 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.833 10.834 -7.127 1.00 0.00 H new ATOM 0 HE ARG A 35 11.490 11.150 -5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.245 8.243 -7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.856 7.676 -6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.487 10.321 -4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.109 8.838 -5.213 1.00 0.00 H new ATOM 532 N ILE A 36 6.895 7.152 -4.304 1.00 0.00 N ATOM 533 CA ILE A 36 6.803 6.448 -3.026 1.00 0.00 C ATOM 534 C ILE A 36 7.797 7.084 -2.059 1.00 0.00 C ATOM 535 O ILE A 36 8.880 7.532 -2.458 1.00 0.00 O ATOM 536 CB ILE A 36 7.101 4.930 -3.196 1.00 0.00 C ATOM 537 CG1 ILE A 36 6.108 4.271 -4.171 1.00 0.00 C ATOM 538 CG2 ILE A 36 7.048 4.168 -1.857 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.393 2.811 -4.546 1.00 0.00 C ATOM 0 H ILE A 36 7.194 6.557 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 36 5.789 6.534 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 36 8.113 4.868 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.112 4.324 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.085 4.861 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.263 3.113 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.789 4.582 -1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.055 4.269 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.628 2.457 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.371 2.742 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.383 2.196 -3.646 1.00 0.00 H new ATOM 551 N VAL A 37 7.443 7.059 -0.777 1.00 0.00 N ATOM 552 CA VAL A 37 8.251 7.598 0.301 1.00 0.00 C ATOM 553 C VAL A 37 8.243 6.693 1.550 1.00 0.00 C ATOM 554 O VAL A 37 8.857 7.026 2.562 1.00 0.00 O ATOM 555 CB VAL A 37 7.736 9.036 0.483 1.00 0.00 C ATOM 556 CG1 VAL A 37 6.329 9.109 1.095 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.679 9.969 1.220 1.00 0.00 C ATOM 0 H VAL A 37 6.564 6.652 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 37 9.318 7.626 0.081 1.00 0.00 H new ATOM 0 HB VAL A 37 7.682 9.401 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.029 10.152 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.623 8.589 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.335 8.638 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.226 10.957 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.870 9.578 2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.619 10.042 0.673 1.00 0.00 H new ATOM 567 N GLU A 38 7.544 5.553 1.508 1.00 0.00 N ATOM 568 CA GLU A 38 7.343 4.643 2.631 1.00 0.00 C ATOM 569 C GLU A 38 6.936 3.265 2.076 1.00 0.00 C ATOM 570 O GLU A 38 6.082 3.204 1.189 1.00 0.00 O ATOM 571 CB GLU A 38 6.229 5.209 3.524 1.00 0.00 C ATOM 572 CG GLU A 38 6.587 5.578 4.968 1.00 0.00 C ATOM 573 CD GLU A 38 5.314 5.691 5.830 1.00 0.00 C ATOM 574 OE1 GLU A 38 4.554 4.701 5.955 1.00 0.00 O ATOM 575 OE2 GLU A 38 5.025 6.772 6.381 1.00 0.00 O ATOM 0 H GLU A 38 7.087 5.230 0.655 1.00 0.00 H new ATOM 0 HA GLU A 38 8.255 4.539 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.832 6.101 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.421 4.478 3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.251 4.823 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.129 6.524 4.984 1.00 0.00 H new ATOM 582 N VAL A 39 7.511 2.167 2.591 1.00 0.00 N ATOM 583 CA VAL A 39 7.165 0.788 2.249 1.00 0.00 C ATOM 584 C VAL A 39 7.246 -0.061 3.528 1.00 0.00 C ATOM 585 O VAL A 39 8.328 -0.543 3.878 1.00 0.00 O ATOM 586 CB VAL A 39 8.073 0.225 1.122 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.528 -1.130 0.684 1.00 0.00 C ATOM 588 CG2 VAL A 39 8.118 1.123 -0.125 1.00 0.00 C ATOM 0 H VAL A 39 8.258 2.223 3.283 1.00 0.00 H new ATOM 0 HA VAL A 39 6.150 0.755 1.854 1.00 0.00 H new ATOM 0 HB VAL A 39 9.080 0.161 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.157 -1.537 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.526 -1.813 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.510 -1.010 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.769 0.673 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.113 1.228 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.503 2.105 0.148 1.00 0.00 H new ATOM 598 N LEU A 40 6.124 -0.231 4.238 1.00 0.00 N ATOM 599 CA LEU A 40 6.031 -1.061 5.435 1.00 0.00 C ATOM 600 C LEU A 40 5.605 -2.473 5.024 1.00 0.00 C ATOM 601 O LEU A 40 4.452 -2.700 4.640 1.00 0.00 O ATOM 602 CB LEU A 40 5.054 -0.463 6.471 1.00 0.00 C ATOM 603 CG LEU A 40 5.562 -0.474 7.924 1.00 0.00 C ATOM 604 CD1 LEU A 40 6.223 -1.793 8.321 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.541 0.666 8.205 1.00 0.00 C ATOM 0 H LEU A 40 5.241 0.215 3.988 1.00 0.00 H new ATOM 0 HA LEU A 40 7.008 -1.100 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.832 0.566 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.116 -1.016 6.425 1.00 0.00 H new ATOM 0 HG LEU A 40 4.665 -0.341 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.559 -1.735 9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.504 -2.606 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.079 -1.981 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.871 0.615 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.404 0.575 7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.047 1.622 8.028 1.00 0.00 H new ATOM 617 N LEU A 41 6.536 -3.426 5.029 1.00 0.00 N ATOM 618 CA LEU A 41 6.251 -4.828 4.720 1.00 0.00 C ATOM 619 C LEU A 41 5.987 -5.565 6.031 1.00 0.00 C ATOM 620 O LEU A 41 6.880 -5.588 6.881 1.00 0.00 O ATOM 621 CB LEU A 41 7.441 -5.419 3.953 1.00 0.00 C ATOM 622 CG LEU A 41 7.133 -6.731 3.213 1.00 0.00 C ATOM 623 CD1 LEU A 41 6.243 -6.467 1.992 1.00 0.00 C ATOM 624 CD2 LEU A 41 8.433 -7.352 2.703 1.00 0.00 C ATOM 0 H LEU A 41 7.516 -3.247 5.249 1.00 0.00 H new ATOM 0 HA LEU A 41 5.368 -4.928 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.793 -4.683 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.258 -5.594 4.653 1.00 0.00 H new ATOM 0 HG LEU A 41 6.626 -7.397 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.037 -7.408 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.305 -6.016 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.754 -5.789 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.211 -8.282 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.924 -6.659 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.092 -7.559 3.546 1.00 0.00 H new ATOM 636 N MET A 42 4.786 -6.119 6.222 1.00 0.00 N ATOM 637 CA MET A 42 4.316 -6.737 7.467 1.00 0.00 C ATOM 638 C MET A 42 4.653 -8.224 7.467 1.00 0.00 C ATOM 639 O MET A 42 4.324 -8.926 6.500 1.00 0.00 O ATOM 640 CB MET A 42 2.796 -6.562 7.640 1.00 0.00 C ATOM 641 CG MET A 42 2.323 -5.114 7.477 1.00 0.00 C ATOM 642 SD MET A 42 3.350 -3.845 8.258 1.00 0.00 S ATOM 643 CE MET A 42 3.076 -4.154 10.022 1.00 0.00 C ATOM 0 H MET A 42 4.084 -6.151 5.482 1.00 0.00 H new ATOM 0 HA MET A 42 4.819 -6.240 8.297 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.281 -7.188 6.911 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.507 -6.921 8.628 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.257 -4.893 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.314 -5.035 7.882 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.652 -3.440 10.610 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.016 -4.041 10.251 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.395 -5.167 10.268 1.00 0.00 H new ATOM 653 N LYS A 43 5.287 -8.719 8.535 1.00 0.00 N ATOM 654 CA LYS A 43 5.787 -10.092 8.584 1.00 0.00 C ATOM 655 C LYS A 43 5.162 -10.887 9.714 1.00 0.00 C ATOM 656 O LYS A 43 4.664 -10.354 10.708 1.00 0.00 O ATOM 657 CB LYS A 43 7.323 -10.123 8.637 1.00 0.00 C ATOM 658 CG LYS A 43 7.895 -9.596 7.314 1.00 0.00 C ATOM 659 CD LYS A 43 9.421 -9.514 7.345 1.00 0.00 C ATOM 660 CE LYS A 43 9.914 -9.038 5.976 1.00 0.00 C ATOM 661 NZ LYS A 43 11.383 -9.076 5.885 1.00 0.00 N ATOM 0 H LYS A 43 5.466 -8.181 9.383 1.00 0.00 H new ATOM 0 HA LYS A 43 5.483 -10.581 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.681 -9.514 9.467 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.670 -11.141 8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.583 -10.248 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.483 -8.608 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.747 -8.825 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.847 -10.489 7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.484 -9.666 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.564 -8.022 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.681 -8.747 4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.792 -8.457 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.715 -10.051 6.032 1.00 0.00 H new ATOM 675 N ASP A 44 5.146 -12.191 9.496 1.00 0.00 N ATOM 676 CA ASP A 44 4.709 -13.217 10.419 1.00 0.00 C ATOM 677 C ASP A 44 5.775 -13.398 11.496 1.00 0.00 C ATOM 678 O ASP A 44 6.846 -12.781 11.447 1.00 0.00 O ATOM 679 CB ASP A 44 4.476 -14.540 9.666 1.00 0.00 C ATOM 680 CG ASP A 44 3.336 -15.307 10.326 1.00 0.00 C ATOM 681 OD1 ASP A 44 3.582 -16.000 11.331 1.00 0.00 O ATOM 682 OD2 ASP A 44 2.170 -15.116 9.894 1.00 0.00 O ATOM 0 H ASP A 44 5.460 -12.584 8.609 1.00 0.00 H new ATOM 0 HA ASP A 44 3.769 -12.919 10.885 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.237 -14.339 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.386 -15.141 9.675 1.00 0.00 H new ATOM 687 N ARG A 45 5.509 -14.285 12.451 1.00 0.00 N ATOM 688 CA ARG A 45 6.444 -14.657 13.497 1.00 0.00 C ATOM 689 C ARG A 45 6.861 -16.132 13.396 1.00 0.00 C ATOM 690 O ARG A 45 7.761 -16.561 14.112 1.00 0.00 O ATOM 691 CB ARG A 45 5.801 -14.260 14.837 1.00 0.00 C ATOM 692 CG ARG A 45 6.864 -14.153 15.928 1.00 0.00 C ATOM 693 CD ARG A 45 6.821 -15.313 16.922 1.00 0.00 C ATOM 694 NE ARG A 45 8.154 -15.654 17.436 1.00 0.00 N ATOM 695 CZ ARG A 45 8.402 -16.490 18.449 1.00 0.00 C ATOM 696 NH1 ARG A 45 7.409 -16.989 19.174 1.00 0.00 N ATOM 697 NH2 ARG A 45 9.655 -16.816 18.732 1.00 0.00 N ATOM 0 H ARG A 45 4.616 -14.773 12.516 1.00 0.00 H new ATOM 0 HA ARG A 45 7.389 -14.124 13.396 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.283 -13.307 14.731 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.052 -14.999 15.121 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.850 -14.116 15.464 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.730 -13.215 16.467 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.168 -15.051 17.755 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.385 -16.187 16.438 1.00 0.00 H new ATOM 0 HE ARG A 45 8.956 -15.217 16.983 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.444 -16.735 18.961 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.610 -17.626 19.945 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.420 -16.430 18.179 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.854 -17.453 19.503 1.00 0.00 H new ATOM 711 N GLU A 46 6.241 -16.886 12.489 1.00 0.00 N ATOM 712 CA GLU A 46 6.534 -18.288 12.201 1.00 0.00 C ATOM 713 C GLU A 46 7.917 -18.480 11.578 1.00 0.00 C ATOM 714 O GLU A 46 8.729 -19.245 12.086 1.00 0.00 O ATOM 715 CB GLU A 46 5.426 -18.805 11.276 1.00 0.00 C ATOM 716 CG GLU A 46 5.555 -20.265 10.829 1.00 0.00 C ATOM 717 CD GLU A 46 4.225 -20.737 10.231 1.00 0.00 C ATOM 718 OE1 GLU A 46 3.350 -21.233 10.978 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.002 -20.550 9.012 1.00 0.00 O ATOM 0 H GLU A 46 5.487 -16.519 11.909 1.00 0.00 H new ATOM 0 HA GLU A 46 6.555 -18.856 13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.469 -18.684 11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.397 -18.174 10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.352 -20.361 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.828 -20.893 11.677 1.00 0.00 H new ATOM 726 N THR A 47 8.179 -17.838 10.439 1.00 0.00 N ATOM 727 CA THR A 47 9.311 -18.203 9.580 1.00 0.00 C ATOM 728 C THR A 47 9.812 -16.970 8.809 1.00 0.00 C ATOM 729 O THR A 47 10.272 -17.059 7.668 1.00 0.00 O ATOM 730 CB THR A 47 8.868 -19.408 8.712 1.00 0.00 C ATOM 731 OG1 THR A 47 9.922 -20.033 8.009 1.00 0.00 O ATOM 732 CG2 THR A 47 7.791 -19.049 7.706 1.00 0.00 C ATOM 0 H THR A 47 7.622 -17.060 10.087 1.00 0.00 H new ATOM 0 HA THR A 47 10.183 -18.528 10.147 1.00 0.00 H new ATOM 0 HB THR A 47 8.474 -20.109 9.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.489 -19.350 7.594 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.523 -19.934 7.129 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.911 -18.679 8.232 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.164 -18.276 7.034 1.00 0.00 H new ATOM 740 N ASN A 48 9.661 -15.780 9.407 1.00 0.00 N ATOM 741 CA ASN A 48 9.991 -14.477 8.814 1.00 0.00 C ATOM 742 C ASN A 48 9.239 -14.201 7.494 1.00 0.00 C ATOM 743 O ASN A 48 9.550 -13.222 6.816 1.00 0.00 O ATOM 744 CB ASN A 48 11.528 -14.336 8.697 1.00 0.00 C ATOM 745 CG ASN A 48 12.161 -13.823 9.979 1.00 0.00 C ATOM 746 OD1 ASN A 48 12.381 -14.581 10.926 1.00 0.00 O ATOM 747 ND2 ASN A 48 12.453 -12.535 10.041 1.00 0.00 N ATOM 0 H ASN A 48 9.291 -15.696 10.354 1.00 0.00 H new ATOM 0 HA ASN A 48 9.634 -13.694 9.483 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.961 -15.304 8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.767 -13.656 7.879 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.871 -12.147 10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.261 -11.929 9.243 1.00 0.00 H new ATOM 754 N LYS A 49 8.244 -15.030 7.140 1.00 0.00 N ATOM 755 CA LYS A 49 7.352 -14.872 6.003 1.00 0.00 C ATOM 756 C LYS A 49 6.540 -13.587 6.144 1.00 0.00 C ATOM 757 O LYS A 49 6.390 -13.076 7.247 1.00 0.00 O ATOM 758 CB LYS A 49 6.415 -16.095 5.945 1.00 0.00 C ATOM 759 CG LYS A 49 6.858 -17.133 4.903 1.00 0.00 C ATOM 760 CD LYS A 49 6.002 -18.411 4.986 1.00 0.00 C ATOM 761 CE LYS A 49 6.643 -19.492 4.103 1.00 0.00 C ATOM 762 NZ LYS A 49 5.805 -20.702 3.968 1.00 0.00 N ATOM 0 H LYS A 49 8.037 -15.873 7.676 1.00 0.00 H new ATOM 0 HA LYS A 49 7.931 -14.806 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.378 -16.566 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.404 -15.762 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.779 -16.705 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.907 -17.385 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.937 -18.756 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.984 -18.206 4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.835 -19.078 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.609 -19.771 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.290 -21.394 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.642 -21.118 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.892 -20.446 3.540 1.00 0.00 H new ATOM 776 N SER A 50 5.916 -13.122 5.069 1.00 0.00 N ATOM 777 CA SER A 50 4.898 -12.082 5.107 1.00 0.00 C ATOM 778 C SER A 50 3.640 -12.558 5.851 1.00 0.00 C ATOM 779 O SER A 50 3.387 -13.756 6.020 1.00 0.00 O ATOM 780 CB SER A 50 4.604 -11.669 3.664 1.00 0.00 C ATOM 781 OG SER A 50 3.479 -10.826 3.531 1.00 0.00 O ATOM 0 H SER A 50 6.108 -13.465 4.128 1.00 0.00 H new ATOM 0 HA SER A 50 5.256 -11.216 5.664 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.478 -11.161 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.448 -12.565 3.064 1.00 0.00 H new ATOM 0 HG SER A 50 3.350 -10.600 2.586 1.00 0.00 H new ATOM 787 N ARG A 51 2.815 -11.601 6.289 1.00 0.00 N ATOM 788 CA ARG A 51 1.438 -11.815 6.741 1.00 0.00 C ATOM 789 C ARG A 51 0.426 -11.849 5.595 1.00 0.00 C ATOM 790 O ARG A 51 -0.772 -11.876 5.871 1.00 0.00 O ATOM 791 CB ARG A 51 1.062 -10.705 7.734 1.00 0.00 C ATOM 792 CG ARG A 51 1.850 -10.840 9.036 1.00 0.00 C ATOM 793 CD ARG A 51 1.057 -11.443 10.193 1.00 0.00 C ATOM 794 NE ARG A 51 0.491 -12.783 9.930 1.00 0.00 N ATOM 795 CZ ARG A 51 -0.749 -13.188 10.250 1.00 0.00 C ATOM 796 NH1 ARG A 51 -1.666 -12.338 10.698 1.00 0.00 N ATOM 797 NH2 ARG A 51 -1.069 -14.465 10.116 1.00 0.00 N ATOM 0 H ARG A 51 3.098 -10.623 6.340 1.00 0.00 H new ATOM 0 HA ARG A 51 1.399 -12.795 7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.258 -9.731 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.006 -10.749 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.729 -11.458 8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.210 -9.855 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.707 -11.504 11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.243 -10.765 10.448 1.00 0.00 H new ATOM 0 HE ARG A 51 1.096 -13.460 9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.436 -11.350 10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.600 -12.673 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.377 -15.131 9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.008 -14.783 10.356 1.00 0.00 H new ATOM 811 N GLY A 52 0.845 -11.795 4.330 1.00 0.00 N ATOM 812 CA GLY A 52 -0.085 -11.819 3.206 1.00 0.00 C ATOM 813 C GLY A 52 -0.846 -10.505 3.032 1.00 0.00 C ATOM 814 O GLY A 52 -1.863 -10.453 2.336 1.00 0.00 O ATOM 0 H GLY A 52 1.827 -11.734 4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.465 -12.038 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.799 -12.630 3.350 1.00 0.00 H new ATOM 818 N PHE A 53 -0.386 -9.431 3.668 1.00 0.00 N ATOM 819 CA PHE A 53 -0.772 -8.061 3.386 1.00 0.00 C ATOM 820 C PHE A 53 0.472 -7.212 3.641 1.00 0.00 C ATOM 821 O PHE A 53 1.429 -7.681 4.270 1.00 0.00 O ATOM 822 CB PHE A 53 -1.969 -7.625 4.252 1.00 0.00 C ATOM 823 CG PHE A 53 -1.628 -7.211 5.673 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.224 -8.172 6.619 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.689 -5.852 6.041 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.856 -7.772 7.916 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.343 -5.456 7.344 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.920 -6.418 8.275 1.00 0.00 C ATOM 0 H PHE A 53 0.294 -9.500 4.425 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.110 -7.944 2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.468 -6.791 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.685 -8.446 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.197 -9.217 6.349 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.003 -5.112 5.319 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.524 -8.507 8.635 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.402 -4.416 7.628 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.642 -6.113 9.273 1.00 0.00 H new ATOM 838 N ALA A 54 0.467 -5.976 3.162 1.00 0.00 N ATOM 839 CA ALA A 54 1.485 -4.978 3.438 1.00 0.00 C ATOM 840 C ALA A 54 0.778 -3.639 3.569 1.00 0.00 C ATOM 841 O ALA A 54 -0.449 -3.577 3.435 1.00 0.00 O ATOM 842 CB ALA A 54 2.532 -4.943 2.325 1.00 0.00 C ATOM 0 H ALA A 54 -0.272 -5.631 2.550 1.00 0.00 H new ATOM 0 HA ALA A 54 2.017 -5.218 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.283 -4.187 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.011 -5.919 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.049 -4.698 1.379 1.00 0.00 H new ATOM 848 N PHE A 55 1.534 -2.572 3.799 1.00 0.00 N ATOM 849 CA PHE A 55 0.999 -1.232 3.890 1.00 0.00 C ATOM 850 C PHE A 55 1.917 -0.306 3.087 1.00 0.00 C ATOM 851 O PHE A 55 3.135 -0.405 3.223 1.00 0.00 O ATOM 852 CB PHE A 55 0.895 -0.871 5.381 1.00 0.00 C ATOM 853 CG PHE A 55 0.586 0.585 5.615 1.00 0.00 C ATOM 854 CD1 PHE A 55 -0.685 1.088 5.285 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.603 1.453 6.052 1.00 0.00 C ATOM 856 CE1 PHE A 55 -0.917 2.472 5.280 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.357 2.835 6.085 1.00 0.00 C ATOM 858 CZ PHE A 55 0.113 3.342 5.676 1.00 0.00 C ATOM 0 H PHE A 55 2.545 -2.620 3.928 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.001 -1.135 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.118 -1.480 5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.833 -1.122 5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.485 0.407 5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.562 1.061 6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.876 2.864 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.127 3.511 6.426 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.053 4.409 5.666 1.00 0.00 H new ATOM 868 N VAL A 56 1.385 0.576 2.240 1.00 0.00 N ATOM 869 CA VAL A 56 2.179 1.480 1.404 1.00 0.00 C ATOM 870 C VAL A 56 1.644 2.900 1.593 1.00 0.00 C ATOM 871 O VAL A 56 0.458 3.109 1.892 1.00 0.00 O ATOM 872 CB VAL A 56 2.184 1.025 -0.073 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.168 1.850 -0.917 1.00 0.00 C ATOM 874 CG2 VAL A 56 2.619 -0.442 -0.233 1.00 0.00 C ATOM 0 H VAL A 56 0.379 0.685 2.113 1.00 0.00 H new ATOM 0 HA VAL A 56 3.224 1.460 1.712 1.00 0.00 H new ATOM 0 HB VAL A 56 1.157 1.162 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.143 1.501 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.884 2.902 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.176 1.733 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.606 -0.712 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.627 -0.568 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.932 -1.087 0.315 1.00 0.00 H new ATOM 884 N THR A 57 2.537 3.868 1.415 1.00 0.00 N ATOM 885 CA THR A 57 2.304 5.261 1.720 1.00 0.00 C ATOM 886 C THR A 57 3.035 6.088 0.663 1.00 0.00 C ATOM 887 O THR A 57 4.225 5.876 0.405 1.00 0.00 O ATOM 888 CB THR A 57 2.865 5.559 3.115 1.00 0.00 C ATOM 889 OG1 THR A 57 2.792 4.452 3.999 1.00 0.00 O ATOM 890 CG2 THR A 57 2.169 6.731 3.783 1.00 0.00 C ATOM 0 H THR A 57 3.470 3.691 1.042 1.00 0.00 H new ATOM 0 HA THR A 57 1.241 5.503 1.712 1.00 0.00 H new ATOM 0 HB THR A 57 3.912 5.801 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.225 4.682 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.604 6.899 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.295 7.625 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.107 6.511 3.889 1.00 0.00 H new ATOM 898 N PHE A 58 2.325 7.024 0.043 1.00 0.00 N ATOM 899 CA PHE A 58 2.812 7.756 -1.109 1.00 0.00 C ATOM 900 C PHE A 58 2.981 9.224 -0.744 1.00 0.00 C ATOM 901 O PHE A 58 2.210 9.760 0.055 1.00 0.00 O ATOM 902 CB PHE A 58 1.839 7.546 -2.270 1.00 0.00 C ATOM 903 CG PHE A 58 1.725 6.088 -2.680 1.00 0.00 C ATOM 904 CD1 PHE A 58 2.659 5.533 -3.569 1.00 0.00 C ATOM 905 CD2 PHE A 58 0.729 5.258 -2.133 1.00 0.00 C ATOM 906 CE1 PHE A 58 2.590 4.173 -3.907 1.00 0.00 C ATOM 907 CE2 PHE A 58 0.678 3.892 -2.457 1.00 0.00 C ATOM 908 CZ PHE A 58 1.597 3.350 -3.361 1.00 0.00 C ATOM 0 H PHE A 58 1.385 7.295 0.333 1.00 0.00 H new ATOM 0 HA PHE A 58 3.790 7.390 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.855 7.918 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.168 8.136 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.433 6.155 -3.994 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.003 5.675 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.310 3.756 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.073 3.259 -2.007 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.542 2.307 -3.635 1.00 0.00 H new ATOM 918 N GLU A 59 4.003 9.883 -1.295 1.00 0.00 N ATOM 919 CA GLU A 59 4.332 11.247 -0.919 1.00 0.00 C ATOM 920 C GLU A 59 3.219 12.243 -1.260 1.00 0.00 C ATOM 921 O GLU A 59 2.982 13.174 -0.490 1.00 0.00 O ATOM 922 CB GLU A 59 5.662 11.615 -1.576 1.00 0.00 C ATOM 923 CG GLU A 59 6.249 12.896 -0.966 1.00 0.00 C ATOM 924 CD GLU A 59 7.589 13.298 -1.580 1.00 0.00 C ATOM 925 OE1 GLU A 59 7.618 13.781 -2.738 1.00 0.00 O ATOM 926 OE2 GLU A 59 8.619 13.240 -0.880 1.00 0.00 O ATOM 0 H GLU A 59 4.616 9.485 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 59 4.430 11.304 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.369 10.795 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.515 11.754 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.538 13.712 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.377 12.754 0.107 1.00 0.00 H new ATOM 933 N SER A 60 2.500 12.044 -2.366 1.00 0.00 N ATOM 934 CA SER A 60 1.448 12.944 -2.824 1.00 0.00 C ATOM 935 C SER A 60 0.116 12.183 -2.872 1.00 0.00 C ATOM 936 O SER A 60 0.116 10.968 -3.080 1.00 0.00 O ATOM 937 CB SER A 60 1.855 13.521 -4.186 1.00 0.00 C ATOM 938 OG SER A 60 3.134 14.144 -4.123 1.00 0.00 O ATOM 0 H SER A 60 2.637 11.239 -2.977 1.00 0.00 H new ATOM 0 HA SER A 60 1.313 13.780 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.872 12.725 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.110 14.247 -4.513 1.00 0.00 H new ATOM 0 HG SER A 60 3.368 14.501 -5.005 1.00 0.00 H new ATOM 944 N PRO A 61 -1.035 12.862 -2.713 1.00 0.00 N ATOM 945 CA PRO A 61 -2.319 12.178 -2.632 1.00 0.00 C ATOM 946 C PRO A 61 -2.669 11.488 -3.949 1.00 0.00 C ATOM 947 O PRO A 61 -3.261 10.411 -3.929 1.00 0.00 O ATOM 948 CB PRO A 61 -3.343 13.258 -2.270 1.00 0.00 C ATOM 949 CG PRO A 61 -2.705 14.546 -2.781 1.00 0.00 C ATOM 950 CD PRO A 61 -1.213 14.300 -2.555 1.00 0.00 C ATOM 0 HA PRO A 61 -2.301 11.385 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.306 13.072 -2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.520 13.298 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.931 14.719 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.059 15.418 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.609 14.853 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.906 14.628 -1.562 1.00 0.00 H new ATOM 958 N ALA A 62 -2.310 12.100 -5.077 1.00 0.00 N ATOM 959 CA ALA A 62 -2.652 11.651 -6.415 1.00 0.00 C ATOM 960 C ALA A 62 -2.091 10.267 -6.725 1.00 0.00 C ATOM 961 O ALA A 62 -2.790 9.422 -7.286 1.00 0.00 O ATOM 962 CB ALA A 62 -2.113 12.692 -7.397 1.00 0.00 C ATOM 0 H ALA A 62 -1.752 12.954 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.735 11.558 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.351 12.388 -8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.571 13.659 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.032 12.772 -7.286 1.00 0.00 H new ATOM 968 N ASP A 63 -0.844 10.053 -6.320 1.00 0.00 N ATOM 969 CA ASP A 63 -0.094 8.807 -6.428 1.00 0.00 C ATOM 970 C ASP A 63 -0.828 7.691 -5.679 1.00 0.00 C ATOM 971 O ASP A 63 -0.941 6.570 -6.176 1.00 0.00 O ATOM 972 CB ASP A 63 1.287 9.124 -5.818 1.00 0.00 C ATOM 973 CG ASP A 63 2.394 8.080 -5.947 1.00 0.00 C ATOM 974 OD1 ASP A 63 2.301 7.127 -6.741 1.00 0.00 O ATOM 975 OD2 ASP A 63 3.438 8.294 -5.299 1.00 0.00 O ATOM 0 H ASP A 63 -0.295 10.792 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 63 0.011 8.453 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.647 10.047 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.143 9.326 -4.757 1.00 0.00 H new ATOM 980 N ALA A 64 -1.437 8.014 -4.528 1.00 0.00 N ATOM 981 CA ALA A 64 -2.235 7.049 -3.779 1.00 0.00 C ATOM 982 C ALA A 64 -3.617 6.848 -4.408 1.00 0.00 C ATOM 983 O ALA A 64 -4.096 5.716 -4.458 1.00 0.00 O ATOM 984 CB ALA A 64 -2.387 7.466 -2.313 1.00 0.00 C ATOM 0 H ALA A 64 -1.388 8.939 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.698 6.101 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.987 6.725 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.403 7.533 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.880 8.437 -2.260 1.00 0.00 H new ATOM 990 N LYS A 65 -4.277 7.920 -4.870 1.00 0.00 N ATOM 991 CA LYS A 65 -5.596 7.812 -5.493 1.00 0.00 C ATOM 992 C LYS A 65 -5.517 6.839 -6.655 1.00 0.00 C ATOM 993 O LYS A 65 -6.327 5.918 -6.713 1.00 0.00 O ATOM 994 CB LYS A 65 -6.124 9.147 -6.037 1.00 0.00 C ATOM 995 CG LYS A 65 -6.560 10.190 -5.004 1.00 0.00 C ATOM 996 CD LYS A 65 -7.217 11.361 -5.755 1.00 0.00 C ATOM 997 CE LYS A 65 -7.422 12.595 -4.876 1.00 0.00 C ATOM 998 NZ LYS A 65 -8.443 12.391 -3.838 1.00 0.00 N ATOM 0 H LYS A 65 -3.914 8.872 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.280 7.473 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.348 9.590 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.974 8.937 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.261 9.752 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.702 10.539 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.597 11.630 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.181 11.038 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.477 12.859 -4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.711 13.438 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.541 13.258 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.354 12.166 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.158 11.605 -3.220 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.578 7.059 -7.577 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.543 6.281 -8.797 1.00 0.00 C ATOM 1014 C ASP A 66 -4.115 4.864 -8.495 1.00 0.00 C ATOM 1015 O ASP A 66 -4.664 3.943 -9.083 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.613 6.905 -9.833 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.471 7.623 -10.881 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.283 8.497 -10.496 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.353 7.349 -12.099 1.00 0.00 O ATOM 0 H ASP A 66 -3.844 7.763 -7.496 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.548 6.271 -9.218 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.930 7.608 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.001 6.137 -10.305 1.00 0.00 H new ATOM 1024 N ALA A 67 -3.210 4.652 -7.540 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.814 3.308 -7.171 1.00 0.00 C ATOM 1026 C ALA A 67 -4.022 2.492 -6.695 1.00 0.00 C ATOM 1027 O ALA A 67 -4.190 1.336 -7.100 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.715 3.350 -6.106 1.00 0.00 C ATOM 0 H ALA A 67 -2.744 5.393 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.411 2.811 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.428 2.333 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.848 3.880 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.086 3.867 -5.221 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.886 3.108 -5.878 1.00 0.00 N ATOM 1035 CA ALA A 68 -6.135 2.515 -5.410 1.00 0.00 C ATOM 1036 C ALA A 68 -7.160 2.279 -6.531 1.00 0.00 C ATOM 1037 O ALA A 68 -8.150 1.578 -6.305 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.747 3.414 -4.324 1.00 0.00 C ATOM 0 H ALA A 68 -4.729 4.050 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.889 1.532 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.680 2.975 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.050 3.503 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.945 4.402 -4.739 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.972 2.882 -7.708 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.963 2.992 -8.780 1.00 0.00 C ATOM 1046 C ARG A 69 -7.370 2.588 -10.127 1.00 0.00 C ATOM 1047 O ARG A 69 -7.882 2.977 -11.179 1.00 0.00 O ATOM 1048 CB ARG A 69 -8.547 4.417 -8.757 1.00 0.00 C ATOM 1049 CG ARG A 69 -9.529 4.579 -7.591 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.715 6.018 -7.109 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.916 6.082 -6.264 1.00 0.00 N ATOM 1052 CZ ARG A 69 -11.927 6.940 -6.393 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -11.745 8.133 -6.945 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -13.132 6.575 -5.986 1.00 0.00 N ATOM 0 H ARG A 69 -6.086 3.326 -7.949 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.783 2.292 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.741 5.145 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.055 4.623 -9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.499 4.183 -7.892 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.183 3.972 -6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.840 6.344 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.816 6.691 -7.960 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.982 5.404 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.820 8.405 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.530 8.778 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.275 5.650 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.918 7.219 -6.077 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.294 1.807 -10.124 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.692 1.261 -11.329 1.00 0.00 C ATOM 1070 C ASP A 70 -5.348 -0.195 -11.058 1.00 0.00 C ATOM 1071 O ASP A 70 -6.025 -1.098 -11.557 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.491 2.098 -11.786 1.00 0.00 C ATOM 1073 CG ASP A 70 -4.041 1.712 -13.195 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.209 0.537 -13.595 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -3.640 2.631 -13.945 1.00 0.00 O ATOM 0 H ASP A 70 -5.810 1.533 -9.269 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.392 1.304 -12.163 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.754 3.156 -11.764 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.664 1.961 -11.089 1.00 0.00 H new ATOM 1080 N MET A 71 -4.361 -0.456 -10.204 1.00 0.00 N ATOM 1081 CA MET A 71 -3.910 -1.805 -9.882 1.00 0.00 C ATOM 1082 C MET A 71 -4.888 -2.604 -9.001 1.00 0.00 C ATOM 1083 O MET A 71 -4.562 -3.714 -8.571 1.00 0.00 O ATOM 1084 CB MET A 71 -2.488 -1.749 -9.302 1.00 0.00 C ATOM 1085 CG MET A 71 -1.540 -2.475 -10.268 1.00 0.00 C ATOM 1086 SD MET A 71 0.038 -3.006 -9.578 1.00 0.00 S ATOM 1087 CE MET A 71 -0.606 -4.145 -8.328 1.00 0.00 C ATOM 0 H MET A 71 -3.846 0.274 -9.711 1.00 0.00 H new ATOM 0 HA MET A 71 -3.886 -2.371 -10.813 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.174 -0.714 -9.169 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.461 -2.219 -8.319 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.055 -3.351 -10.661 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.341 -1.817 -11.114 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.144 -4.905 -8.107 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.841 -3.592 -7.419 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.509 -4.625 -8.704 1.00 0.00 H new ATOM 1097 N ASN A 72 -6.093 -2.086 -8.736 1.00 0.00 N ATOM 1098 CA ASN A 72 -7.107 -2.750 -7.935 1.00 0.00 C ATOM 1099 C ASN A 72 -7.373 -4.178 -8.409 1.00 0.00 C ATOM 1100 O ASN A 72 -7.674 -4.429 -9.578 1.00 0.00 O ATOM 1101 CB ASN A 72 -8.386 -1.908 -7.785 1.00 0.00 C ATOM 1102 CG ASN A 72 -9.148 -1.513 -9.041 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.407 -0.337 -9.262 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -9.591 -2.461 -9.844 1.00 0.00 N ATOM 0 H ASN A 72 -6.389 -1.174 -9.084 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.702 -2.842 -6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.072 -2.459 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.120 -0.992 -7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.155 -2.217 -10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.369 -3.438 -9.651 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.240 -5.117 -7.472 1.00 0.00 N ATOM 1112 CA GLY A 73 -7.605 -6.516 -7.641 1.00 0.00 C ATOM 1113 C GLY A 73 -6.645 -7.336 -8.508 1.00 0.00 C ATOM 1114 O GLY A 73 -6.899 -8.523 -8.715 1.00 0.00 O ATOM 0 H GLY A 73 -6.863 -4.914 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.669 -6.981 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.601 -6.565 -8.082 1.00 0.00 H new ATOM 1118 N LYS A 74 -5.564 -6.741 -9.027 1.00 0.00 N ATOM 1119 CA LYS A 74 -4.683 -7.376 -10.004 1.00 0.00 C ATOM 1120 C LYS A 74 -4.068 -8.683 -9.528 1.00 0.00 C ATOM 1121 O LYS A 74 -4.030 -9.028 -8.347 1.00 0.00 O ATOM 1122 CB LYS A 74 -3.573 -6.396 -10.430 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.938 -5.613 -11.702 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.800 -5.724 -12.725 1.00 0.00 C ATOM 1125 CE LYS A 74 -3.151 -4.954 -13.992 1.00 0.00 C ATOM 1126 NZ LYS A 74 -2.416 -5.444 -15.172 1.00 0.00 N ATOM 0 H LYS A 74 -5.277 -5.795 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.313 -7.631 -10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.380 -5.695 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.649 -6.949 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.862 -6.004 -12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.118 -4.566 -11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.877 -5.332 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.620 -6.772 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.222 -5.033 -14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.931 -3.897 -13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.690 -4.888 -16.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.394 -5.345 -15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.645 -6.446 -15.333 1.00 0.00 H new ATOM 1140 N SER A 75 -3.558 -9.412 -10.508 1.00 0.00 N ATOM 1141 CA SER A 75 -2.652 -10.506 -10.285 1.00 0.00 C ATOM 1142 C SER A 75 -1.269 -9.951 -9.982 1.00 0.00 C ATOM 1143 O SER A 75 -0.917 -8.835 -10.386 1.00 0.00 O ATOM 1144 CB SER A 75 -2.701 -11.405 -11.521 1.00 0.00 C ATOM 1145 OG SER A 75 -2.452 -10.649 -12.692 1.00 0.00 O ATOM 0 H SER A 75 -3.771 -9.250 -11.492 1.00 0.00 H new ATOM 0 HA SER A 75 -2.931 -11.113 -9.423 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.961 -12.200 -11.430 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.677 -11.885 -11.591 1.00 0.00 H new ATOM 0 HG SER A 75 -2.485 -11.238 -13.475 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.506 -10.723 -9.225 1.00 0.00 N ATOM 1152 CA LEU A 76 0.857 -10.433 -8.836 1.00 0.00 C ATOM 1153 C LEU A 76 1.484 -11.776 -8.534 1.00 0.00 C ATOM 1154 O LEU A 76 0.879 -12.537 -7.786 1.00 0.00 O ATOM 1155 CB LEU A 76 0.844 -9.550 -7.583 1.00 0.00 C ATOM 1156 CG LEU A 76 2.240 -9.150 -7.068 1.00 0.00 C ATOM 1157 CD1 LEU A 76 3.085 -8.463 -8.146 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.080 -8.197 -5.877 1.00 0.00 C ATOM 0 H LEU A 76 -0.840 -11.610 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 76 1.412 -9.903 -9.610 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.277 -8.644 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.315 -10.076 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 76 2.757 -10.063 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.059 -8.201 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.219 -9.140 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.579 -7.558 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.064 -7.909 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.537 -7.307 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.525 -8.697 -5.083 1.00 0.00 H new ATOM 1170 N ASP A 77 2.643 -12.085 -9.112 1.00 0.00 N ATOM 1171 CA ASP A 77 3.391 -13.313 -8.821 1.00 0.00 C ATOM 1172 C ASP A 77 2.618 -14.609 -9.140 1.00 0.00 C ATOM 1173 O ASP A 77 2.993 -15.695 -8.694 1.00 0.00 O ATOM 1174 CB ASP A 77 3.886 -13.279 -7.355 1.00 0.00 C ATOM 1175 CG ASP A 77 5.294 -13.838 -7.155 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.985 -14.200 -8.137 1.00 0.00 O ATOM 1177 OD2 ASP A 77 5.752 -13.758 -5.993 1.00 0.00 O ATOM 0 H ASP A 77 3.096 -11.486 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 77 4.249 -13.336 -9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.863 -12.249 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.191 -13.846 -6.736 1.00 0.00 H new ATOM 1182 N GLY A 78 1.534 -14.521 -9.921 1.00 0.00 N ATOM 1183 CA GLY A 78 0.634 -15.632 -10.204 1.00 0.00 C ATOM 1184 C GLY A 78 -0.489 -15.810 -9.178 1.00 0.00 C ATOM 1185 O GLY A 78 -1.101 -16.881 -9.126 1.00 0.00 O ATOM 0 H GLY A 78 1.257 -13.654 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.191 -15.483 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.216 -16.553 -10.252 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.749 -14.794 -8.353 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.679 -14.764 -7.222 1.00 0.00 C ATOM 1191 C LYS A 79 -2.748 -13.686 -7.454 1.00 0.00 C ATOM 1192 O LYS A 79 -2.918 -13.213 -8.583 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.842 -14.536 -5.941 1.00 0.00 C ATOM 1194 CG LYS A 79 0.338 -15.494 -5.728 1.00 0.00 C ATOM 1195 CD LYS A 79 -0.068 -16.968 -5.682 1.00 0.00 C ATOM 1196 CE LYS A 79 -0.272 -17.498 -4.256 1.00 0.00 C ATOM 1197 NZ LYS A 79 -1.549 -17.075 -3.642 1.00 0.00 N ATOM 0 H LYS A 79 -0.276 -13.898 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.223 -15.703 -7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.457 -13.516 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.505 -14.611 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.061 -15.350 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.841 -15.235 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.991 -17.101 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.698 -17.564 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.230 -18.587 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.553 -17.157 -3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.683 -17.575 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.529 -16.050 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.335 -17.303 -4.284 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.532 -13.340 -6.432 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.612 -12.348 -6.508 1.00 0.00 C ATOM 1213 C ALA A 80 -4.562 -11.367 -5.331 1.00 0.00 C ATOM 1214 O ALA A 80 -5.020 -11.696 -4.230 1.00 0.00 O ATOM 1215 CB ALA A 80 -5.971 -13.058 -6.572 1.00 0.00 C ATOM 0 H ALA A 80 -3.433 -13.751 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.475 -11.765 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.767 -12.316 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.007 -13.696 -7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.106 -13.667 -5.678 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.046 -10.156 -5.556 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.077 -9.089 -4.561 1.00 0.00 C ATOM 1223 C ILE A 81 -5.441 -8.409 -4.560 1.00 0.00 C ATOM 1224 O ILE A 81 -6.279 -8.619 -5.438 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.924 -8.067 -4.748 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -3.032 -7.179 -6.006 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.561 -8.766 -4.723 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.273 -5.861 -5.846 1.00 0.00 C ATOM 0 H ILE A 81 -3.596 -9.891 -6.432 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.918 -9.544 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.020 -7.391 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.640 -7.721 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.082 -6.970 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.771 -8.027 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.428 -9.271 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.513 -9.498 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.377 -5.269 -6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.682 -5.305 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.218 -6.068 -5.666 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.631 -7.519 -3.594 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.640 -6.471 -3.609 1.00 0.00 C ATOM 1242 C LYS A 82 -5.908 -5.169 -3.336 1.00 0.00 C ATOM 1243 O LYS A 82 -4.907 -5.178 -2.620 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.685 -6.716 -2.514 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.622 -7.915 -2.733 1.00 0.00 C ATOM 1246 CD LYS A 82 -8.037 -9.269 -2.292 1.00 0.00 C ATOM 1247 CE LYS A 82 -8.889 -9.989 -1.234 1.00 0.00 C ATOM 1248 NZ LYS A 82 -10.226 -10.396 -1.724 1.00 0.00 N ATOM 0 H LYS A 82 -5.064 -7.508 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.163 -6.447 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.164 -6.856 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.294 -5.818 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.550 -7.739 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.879 -7.971 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.935 -9.914 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.035 -9.111 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.353 -10.873 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.012 -9.334 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.745 -10.875 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.756 -9.554 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.118 -11.046 -2.529 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.423 -4.062 -3.854 1.00 0.00 N ATOM 1263 CA VAL A 83 -6.018 -2.716 -3.488 1.00 0.00 C ATOM 1264 C VAL A 83 -7.344 -2.002 -3.236 1.00 0.00 C ATOM 1265 O VAL A 83 -8.292 -2.179 -4.000 1.00 0.00 O ATOM 1266 CB VAL A 83 -5.192 -2.028 -4.596 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.573 -0.730 -4.068 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -4.064 -2.904 -5.162 1.00 0.00 C ATOM 0 H VAL A 83 -7.157 -4.079 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.358 -2.702 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.895 -1.831 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.993 -0.255 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.365 -0.055 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.920 -0.955 -3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.528 -2.353 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.373 -3.170 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.489 -3.811 -5.591 1.00 0.00 H new ATOM 1278 N GLU A 84 -7.431 -1.303 -2.113 1.00 0.00 N ATOM 1279 CA GLU A 84 -8.578 -0.582 -1.583 1.00 0.00 C ATOM 1280 C GLU A 84 -8.005 0.626 -0.840 1.00 0.00 C ATOM 1281 O GLU A 84 -6.817 0.934 -0.958 1.00 0.00 O ATOM 1282 CB GLU A 84 -9.323 -1.501 -0.596 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.866 -2.817 -1.166 1.00 0.00 C ATOM 1284 CD GLU A 84 -11.170 -2.731 -1.979 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -11.744 -1.626 -2.174 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -11.665 -3.811 -2.381 1.00 0.00 O ATOM 0 H GLU A 84 -6.625 -1.219 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.274 -0.273 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.648 -1.738 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.157 -0.942 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.097 -3.256 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.026 -3.507 -0.337 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.818 1.309 -0.039 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.334 2.373 0.817 1.00 0.00 C ATOM 1295 C GLN A 85 -8.520 1.974 2.270 1.00 0.00 C ATOM 1296 O GLN A 85 -9.527 1.373 2.644 1.00 0.00 O ATOM 1297 CB GLN A 85 -9.053 3.673 0.487 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.916 4.042 -0.999 1.00 0.00 C ATOM 1299 CD GLN A 85 -9.250 5.522 -1.188 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -8.461 6.312 -1.700 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -10.384 5.953 -0.661 1.00 0.00 N ATOM 0 H GLN A 85 -9.821 1.138 0.031 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.270 2.537 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.109 3.579 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.647 4.478 1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.902 3.840 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.585 3.427 -1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.034 5.291 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.609 6.948 -0.678 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.554 2.355 3.099 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.561 2.140 4.543 1.00 0.00 C ATOM 1312 C ALA A 86 -8.188 3.390 5.148 1.00 0.00 C ATOM 1313 O ALA A 86 -7.486 4.346 5.496 1.00 0.00 O ATOM 1314 CB ALA A 86 -6.143 1.872 5.070 1.00 0.00 C ATOM 0 H ALA A 86 -6.716 2.838 2.774 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.136 1.257 4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.179 1.716 6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.738 0.983 4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.505 2.727 4.849 1.00 0.00 H new ATOM 1320 N THR A 87 -9.516 3.451 5.119 1.00 0.00 N ATOM 1321 CA THR A 87 -10.282 4.611 5.557 1.00 0.00 C ATOM 1322 C THR A 87 -10.413 4.622 7.096 1.00 0.00 C ATOM 1323 O THR A 87 -9.625 4.005 7.825 1.00 0.00 O ATOM 1324 CB THR A 87 -11.590 4.700 4.737 1.00 0.00 C ATOM 1325 OG1 THR A 87 -12.264 5.898 5.044 1.00 0.00 O ATOM 1326 CG2 THR A 87 -12.534 3.510 4.918 1.00 0.00 C ATOM 0 H THR A 87 -10.098 2.683 4.785 1.00 0.00 H new ATOM 0 HA THR A 87 -9.764 5.546 5.345 1.00 0.00 H new ATOM 0 HB THR A 87 -11.288 4.682 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.091 5.951 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.425 3.656 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.029 2.595 4.610 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.822 3.430 5.966 1.00 0.00 H new ATOM 1334 N LYS A 88 -11.338 5.422 7.625 1.00 0.00 N ATOM 1335 CA LYS A 88 -11.760 5.408 9.019 1.00 0.00 C ATOM 1336 C LYS A 88 -13.291 5.407 9.080 1.00 0.00 C ATOM 1337 O LYS A 88 -13.947 5.875 8.145 1.00 0.00 O ATOM 1338 CB LYS A 88 -11.169 6.586 9.822 1.00 0.00 C ATOM 1339 CG LYS A 88 -10.894 7.909 9.071 1.00 0.00 C ATOM 1340 CD LYS A 88 -9.384 8.116 8.860 1.00 0.00 C ATOM 1341 CE LYS A 88 -9.037 9.457 8.205 1.00 0.00 C ATOM 1342 NZ LYS A 88 -7.606 9.803 8.372 1.00 0.00 N ATOM 0 H LYS A 88 -11.830 6.123 7.071 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.376 4.501 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -11.849 6.804 10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.231 6.252 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.402 7.897 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.304 8.745 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.878 8.049 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.997 7.307 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.278 9.415 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.653 10.243 8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.338 10.521 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.449 10.180 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.025 8.951 8.236 1.00 0.00 H new ATOM 1356 N PRO A 89 -13.871 4.905 10.182 1.00 0.00 N ATOM 1357 CA PRO A 89 -15.316 4.891 10.354 1.00 0.00 C ATOM 1358 C PRO A 89 -15.915 6.282 10.581 1.00 0.00 C ATOM 1359 O PRO A 89 -17.103 6.474 10.322 1.00 0.00 O ATOM 1360 CB PRO A 89 -15.582 3.980 11.553 1.00 0.00 C ATOM 1361 CG PRO A 89 -14.270 3.975 12.329 1.00 0.00 C ATOM 1362 CD PRO A 89 -13.211 4.173 11.255 1.00 0.00 C ATOM 0 HA PRO A 89 -15.795 4.531 9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -16.402 4.357 12.163 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -15.858 2.975 11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.241 4.773 13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -14.126 3.037 12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -12.359 4.731 11.643 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.830 3.216 10.899 1.00 0.00 H new ATOM 1370 N SER A 90 -15.110 7.223 11.082 1.00 0.00 N ATOM 1371 CA SER A 90 -15.466 8.605 11.359 1.00 0.00 C ATOM 1372 C SER A 90 -14.165 9.407 11.441 1.00 0.00 C ATOM 1373 O SER A 90 -13.110 8.811 11.693 1.00 0.00 O ATOM 1374 CB SER A 90 -16.169 8.658 12.720 1.00 0.00 C ATOM 1375 OG SER A 90 -17.323 9.467 12.660 1.00 0.00 O ATOM 0 H SER A 90 -14.138 7.022 11.316 1.00 0.00 H new ATOM 0 HA SER A 90 -16.121 9.008 10.586 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.443 7.650 13.032 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.484 9.050 13.472 1.00 0.00 H new ATOM 0 HG SER A 90 -17.756 9.485 13.539 1.00 0.00 H new ATOM 1381 N PHE A 91 -14.225 10.733 11.307 1.00 0.00 N ATOM 1382 CA PHE A 91 -13.137 11.635 11.655 1.00 0.00 C ATOM 1383 C PHE A 91 -13.722 13.014 11.934 1.00 0.00 C ATOM 1384 O PHE A 91 -14.743 13.378 11.348 1.00 0.00 O ATOM 1385 CB PHE A 91 -12.114 11.730 10.514 1.00 0.00 C ATOM 1386 CG PHE A 91 -10.713 12.008 11.018 1.00 0.00 C ATOM 1387 CD1 PHE A 91 -10.274 13.334 11.211 1.00 0.00 C ATOM 1388 CD2 PHE A 91 -9.873 10.927 11.355 1.00 0.00 C ATOM 1389 CE1 PHE A 91 -8.981 13.568 11.709 1.00 0.00 C ATOM 1390 CE2 PHE A 91 -8.567 11.171 11.815 1.00 0.00 C ATOM 1391 CZ PHE A 91 -8.117 12.491 11.981 1.00 0.00 C ATOM 0 H PHE A 91 -15.049 11.214 10.946 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.624 11.252 12.537 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.116 10.798 9.949 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.413 12.520 9.826 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -10.926 14.163 10.978 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.232 9.913 11.260 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.648 14.580 11.884 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.910 10.344 12.041 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.108 12.679 12.317 1.00 0.00 H new ATOM 1401 N GLU A 92 -13.022 13.770 12.777 1.00 0.00 N ATOM 1402 CA GLU A 92 -13.442 15.025 13.383 1.00 0.00 C ATOM 1403 C GLU A 92 -14.809 14.886 14.035 1.00 0.00 C ATOM 1404 O GLU A 92 -15.468 15.906 14.308 1.00 0.00 O ATOM 1405 CB GLU A 92 -13.342 16.174 12.371 1.00 0.00 C ATOM 1406 CG GLU A 92 -12.780 17.448 13.010 1.00 0.00 C ATOM 1407 CD GLU A 92 -11.264 17.352 13.222 1.00 0.00 C ATOM 1408 OE1 GLU A 92 -10.499 17.633 12.264 1.00 0.00 O ATOM 1409 OE2 GLU A 92 -10.824 17.020 14.349 1.00 0.00 O ATOM 0 H GLU A 92 -12.084 13.501 13.073 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.760 15.281 14.193 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.704 15.872 11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.329 16.380 11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.006 18.304 12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.271 17.623 13.967 1.00 0.00 H new TER 1416 GLU A 92