USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.35 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.35! C(o=-1.4!,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.244 (180deg=-1.2!) USER MOD Single : A 29 GLN : amide:sc= -0.484 K(o=-0.48,f=-3.9!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 45:sc= -0.535 USER MOD Single : A 50 THR OG1 : rot -78:sc= 0.868 USER MOD Single : A 57 THR OG1 : rot 97:sc= -2.62! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.462 K(o=-0.46,f=-3.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -2.4 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= -0.0869 (180deg=-0.0869) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00176 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.725 9.678 -7.028 1.00 0.00 N ATOM 57 CA VAL A 5 9.258 9.420 -6.964 1.00 0.00 C ATOM 58 C VAL A 5 8.893 8.342 -7.987 1.00 0.00 C ATOM 59 O VAL A 5 9.562 8.177 -8.988 1.00 0.00 O ATOM 60 CB VAL A 5 8.505 10.714 -7.277 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.050 10.577 -6.834 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.158 11.871 -6.519 1.00 0.00 C ATOM 0 HA VAL A 5 8.982 9.077 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 5 8.541 10.908 -8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.513 11.499 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.584 9.748 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.013 10.386 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.625 12.796 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.117 11.674 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.198 11.969 -6.830 1.00 0.00 H new ATOM 72 N SER A 6 7.853 7.590 -7.741 1.00 0.00 N ATOM 73 CA SER A 6 7.483 6.513 -8.707 1.00 0.00 C ATOM 74 C SER A 6 6.342 6.960 -9.617 1.00 0.00 C ATOM 75 O SER A 6 5.221 7.150 -9.186 1.00 0.00 O ATOM 76 CB SER A 6 7.025 5.265 -7.947 1.00 0.00 C ATOM 77 OG SER A 6 7.731 5.178 -6.716 1.00 0.00 O ATOM 0 H SER A 6 7.249 7.672 -6.923 1.00 0.00 H new ATOM 0 HA SER A 6 8.364 6.293 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.952 5.312 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.206 4.373 -8.547 1.00 0.00 H new ATOM 0 HG SER A 6 7.438 4.381 -6.227 1.00 0.00 H new ATOM 83 N LYS A 7 6.612 7.070 -10.887 1.00 0.00 N ATOM 84 CA LYS A 7 5.546 7.433 -11.851 1.00 0.00 C ATOM 85 C LYS A 7 4.897 6.121 -12.284 1.00 0.00 C ATOM 86 O LYS A 7 5.446 5.375 -13.077 1.00 0.00 O ATOM 87 CB LYS A 7 6.155 8.142 -13.063 1.00 0.00 C ATOM 88 CG LYS A 7 5.043 8.790 -13.889 1.00 0.00 C ATOM 89 CD LYS A 7 5.155 10.313 -13.791 1.00 0.00 C ATOM 90 CE LYS A 7 3.811 10.896 -13.357 1.00 0.00 C ATOM 91 NZ LYS A 7 2.995 11.215 -14.563 1.00 0.00 N ATOM 0 H LYS A 7 7.534 6.922 -11.298 1.00 0.00 H new ATOM 0 HA LYS A 7 4.817 8.108 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.867 8.899 -12.735 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.708 7.429 -13.674 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.118 8.476 -14.930 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.069 8.462 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.930 10.586 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.450 10.729 -14.754 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.281 10.184 -12.724 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.968 11.796 -12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.080 11.612 -14.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.500 11.909 -15.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.835 10.347 -15.113 1.00 0.00 H new ATOM 105 N LEU A 8 3.768 5.797 -11.723 1.00 0.00 N ATOM 106 CA LEU A 8 3.131 4.501 -12.061 1.00 0.00 C ATOM 107 C LEU A 8 2.022 4.663 -13.094 1.00 0.00 C ATOM 108 O LEU A 8 1.107 5.448 -12.937 1.00 0.00 O ATOM 109 CB LEU A 8 2.522 3.888 -10.796 1.00 0.00 C ATOM 110 CG LEU A 8 3.505 2.908 -10.148 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.781 2.101 -9.067 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.051 1.944 -11.202 1.00 0.00 C ATOM 0 H LEU A 8 3.262 6.371 -11.049 1.00 0.00 H new ATOM 0 HA LEU A 8 3.904 3.856 -12.479 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.267 4.677 -10.089 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.595 3.371 -11.045 1.00 0.00 H new ATOM 0 HG LEU A 8 4.328 3.470 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.479 1.403 -8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.390 2.778 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.958 1.546 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.749 1.250 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.227 1.385 -11.646 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.567 2.508 -11.979 1.00 0.00 H new ATOM 124 N ARG A 9 2.070 3.858 -14.113 1.00 0.00 N ATOM 125 CA ARG A 9 1.000 3.863 -15.137 1.00 0.00 C ATOM 126 C ARG A 9 0.294 2.527 -14.960 1.00 0.00 C ATOM 127 O ARG A 9 0.830 1.485 -15.285 1.00 0.00 O ATOM 128 CB ARG A 9 1.605 3.968 -16.539 1.00 0.00 C ATOM 129 CG ARG A 9 2.562 5.158 -16.593 1.00 0.00 C ATOM 130 CD ARG A 9 3.406 5.080 -17.866 1.00 0.00 C ATOM 131 NE ARG A 9 4.387 3.965 -17.745 1.00 0.00 N ATOM 132 CZ ARG A 9 5.461 3.956 -18.486 1.00 0.00 C ATOM 133 NH1 ARG A 9 6.305 4.949 -18.421 1.00 0.00 N ATOM 134 NH2 ARG A 9 5.691 2.955 -19.290 1.00 0.00 N ATOM 0 H ARG A 9 2.819 3.186 -14.281 1.00 0.00 H new ATOM 0 HA ARG A 9 0.321 4.708 -15.024 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.136 3.049 -16.787 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.815 4.089 -17.280 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.999 6.091 -16.574 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.208 5.158 -15.715 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.763 4.921 -18.732 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.929 6.023 -18.027 1.00 0.00 H new ATOM 0 HE ARG A 9 4.219 3.208 -17.082 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.125 5.731 -17.791 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.145 4.943 -19.000 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.031 2.179 -19.340 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.531 2.948 -19.869 1.00 0.00 H new ATOM 148 N ILE A 10 -0.867 2.531 -14.375 1.00 0.00 N ATOM 149 CA ILE A 10 -1.545 1.239 -14.102 1.00 0.00 C ATOM 150 C ILE A 10 -2.679 0.993 -15.103 1.00 0.00 C ATOM 151 O ILE A 10 -3.678 1.677 -15.114 1.00 0.00 O ATOM 152 CB ILE A 10 -2.081 1.277 -12.662 1.00 0.00 C ATOM 153 CG1 ILE A 10 -1.058 1.977 -11.743 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.313 -0.146 -12.149 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.795 2.667 -10.598 1.00 0.00 C ATOM 0 H ILE A 10 -1.372 3.365 -14.076 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.838 0.417 -14.214 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.023 1.826 -12.655 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.350 1.249 -11.348 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.481 2.707 -12.311 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.693 -0.107 -11.128 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.039 -0.649 -12.787 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.372 -0.697 -12.166 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.074 3.162 -9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.486 3.406 -11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.352 1.926 -10.025 1.00 0.00 H new ATOM 167 N ARG A 11 -2.518 0.018 -15.953 1.00 0.00 N ATOM 168 CA ARG A 11 -3.568 -0.286 -16.963 1.00 0.00 C ATOM 169 C ARG A 11 -4.774 -0.945 -16.290 1.00 0.00 C ATOM 170 O ARG A 11 -4.643 -1.651 -15.309 1.00 0.00 O ATOM 171 CB ARG A 11 -3.003 -1.273 -17.982 1.00 0.00 C ATOM 172 CG ARG A 11 -3.011 -0.650 -19.370 1.00 0.00 C ATOM 173 CD ARG A 11 -1.568 -0.395 -19.790 1.00 0.00 C ATOM 174 NE ARG A 11 -0.951 -1.668 -20.257 1.00 0.00 N ATOM 175 CZ ARG A 11 0.045 -1.639 -21.100 1.00 0.00 C ATOM 176 NH1 ARG A 11 -0.181 -1.750 -22.381 1.00 0.00 N ATOM 177 NH2 ARG A 11 1.267 -1.503 -20.663 1.00 0.00 N ATOM 0 H ARG A 11 -1.697 -0.586 -15.991 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.874 0.643 -17.443 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.986 -1.552 -17.705 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.596 -2.188 -17.982 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.501 -1.314 -20.081 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.575 0.283 -19.364 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.536 0.349 -20.586 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.001 0.010 -18.952 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.307 -2.562 -19.918 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.136 -1.859 -22.723 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.597 -1.727 -23.040 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.444 -1.419 -19.662 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.045 -1.480 -21.322 1.00 0.00 H new ATOM 191 N THR A 12 -5.947 -0.742 -16.827 1.00 0.00 N ATOM 192 CA THR A 12 -7.156 -1.382 -16.234 1.00 0.00 C ATOM 193 C THR A 12 -7.648 -2.485 -17.179 1.00 0.00 C ATOM 194 O THR A 12 -7.053 -2.716 -18.214 1.00 0.00 O ATOM 195 CB THR A 12 -8.260 -0.341 -16.027 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.172 -0.395 -17.116 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.648 1.055 -15.942 1.00 0.00 C ATOM 0 H THR A 12 -6.120 -0.162 -17.648 1.00 0.00 H new ATOM 0 HA THR A 12 -6.902 -1.812 -15.265 1.00 0.00 H new ATOM 0 HB THR A 12 -8.788 -0.557 -15.098 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.960 0.151 -16.910 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.439 1.791 -15.795 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.953 1.097 -15.104 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.115 1.276 -16.867 1.00 0.00 H new ATOM 205 N PRO A 13 -8.711 -3.143 -16.793 1.00 0.00 N ATOM 206 CA PRO A 13 -9.296 -4.239 -17.584 1.00 0.00 C ATOM 207 C PRO A 13 -10.144 -3.678 -18.729 1.00 0.00 C ATOM 208 O PRO A 13 -10.810 -4.408 -19.435 1.00 0.00 O ATOM 209 CB PRO A 13 -10.166 -4.987 -16.571 1.00 0.00 C ATOM 210 CG PRO A 13 -10.481 -3.982 -15.438 1.00 0.00 C ATOM 211 CD PRO A 13 -9.431 -2.857 -15.537 1.00 0.00 C ATOM 0 HA PRO A 13 -8.548 -4.881 -18.050 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.083 -5.346 -17.038 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.644 -5.861 -16.181 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.489 -3.581 -15.546 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.435 -4.470 -14.464 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.902 -1.874 -15.563 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.757 -2.865 -14.681 1.00 0.00 H new ATOM 219 N SER A 14 -10.121 -2.388 -18.917 1.00 0.00 N ATOM 220 CA SER A 14 -10.922 -1.782 -20.016 1.00 0.00 C ATOM 221 C SER A 14 -10.000 -0.976 -20.933 1.00 0.00 C ATOM 222 O SER A 14 -10.448 -0.295 -21.834 1.00 0.00 O ATOM 223 CB SER A 14 -11.986 -0.858 -19.422 1.00 0.00 C ATOM 224 OG SER A 14 -13.243 -1.521 -19.431 1.00 0.00 O ATOM 0 H SER A 14 -9.582 -1.727 -18.357 1.00 0.00 H new ATOM 0 HA SER A 14 -11.407 -2.571 -20.591 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.716 -0.581 -18.403 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.045 0.065 -19.998 1.00 0.00 H new ATOM 0 HG SER A 14 -13.926 -0.932 -19.049 1.00 0.00 H new ATOM 230 N GLY A 15 -8.715 -1.045 -20.712 1.00 0.00 N ATOM 231 CA GLY A 15 -7.772 -0.281 -21.573 1.00 0.00 C ATOM 232 C GLY A 15 -7.559 1.113 -20.981 1.00 0.00 C ATOM 233 O GLY A 15 -7.021 1.994 -21.622 1.00 0.00 O ATOM 0 H GLY A 15 -8.279 -1.597 -19.973 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.820 -0.807 -21.645 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.169 -0.202 -22.585 1.00 0.00 H new ATOM 237 N GLU A 16 -7.974 1.321 -19.761 1.00 0.00 N ATOM 238 CA GLU A 16 -7.790 2.661 -19.135 1.00 0.00 C ATOM 239 C GLU A 16 -6.405 2.733 -18.492 1.00 0.00 C ATOM 240 O GLU A 16 -5.713 1.738 -18.369 1.00 0.00 O ATOM 241 CB GLU A 16 -8.866 2.882 -18.070 1.00 0.00 C ATOM 242 CG GLU A 16 -9.724 4.091 -18.451 1.00 0.00 C ATOM 243 CD GLU A 16 -11.201 3.762 -18.222 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.543 2.593 -18.276 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.965 4.687 -17.995 1.00 0.00 O ATOM 0 H GLU A 16 -8.431 0.624 -19.173 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.877 3.435 -19.897 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.491 1.994 -17.980 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.402 3.045 -17.097 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.437 4.957 -17.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.557 4.354 -19.495 1.00 0.00 H new ATOM 252 N PHE A 17 -5.991 3.902 -18.085 1.00 0.00 N ATOM 253 CA PHE A 17 -4.646 4.044 -17.461 1.00 0.00 C ATOM 254 C PHE A 17 -4.748 4.846 -16.162 1.00 0.00 C ATOM 255 O PHE A 17 -5.202 5.974 -16.156 1.00 0.00 O ATOM 256 CB PHE A 17 -3.736 4.807 -18.426 1.00 0.00 C ATOM 257 CG PHE A 17 -2.628 3.913 -18.925 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.578 3.549 -18.073 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.643 3.464 -20.250 1.00 0.00 C ATOM 260 CE1 PHE A 17 -0.546 2.731 -18.546 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.609 2.649 -20.724 1.00 0.00 C ATOM 262 CZ PHE A 17 -0.561 2.282 -19.871 1.00 0.00 C ATOM 0 H PHE A 17 -6.528 4.766 -18.158 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.245 3.053 -17.247 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.319 5.178 -19.269 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.312 5.677 -17.924 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.565 3.899 -17.052 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.452 3.746 -20.907 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.262 2.446 -17.888 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.619 2.303 -21.747 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.236 1.652 -20.236 1.00 0.00 H new ATOM 272 N LEU A 18 -4.293 4.301 -15.065 1.00 0.00 N ATOM 273 CA LEU A 18 -4.329 5.074 -13.796 1.00 0.00 C ATOM 274 C LEU A 18 -2.962 5.706 -13.614 1.00 0.00 C ATOM 275 O LEU A 18 -2.029 5.075 -13.149 1.00 0.00 O ATOM 276 CB LEU A 18 -4.605 4.182 -12.582 1.00 0.00 C ATOM 277 CG LEU A 18 -5.931 3.445 -12.725 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.028 4.403 -13.211 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.752 2.304 -13.716 1.00 0.00 C ATOM 0 H LEU A 18 -3.902 3.362 -14.995 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.130 5.811 -13.859 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.796 3.460 -12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.620 4.790 -11.678 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.234 3.048 -11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.968 3.860 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.149 5.213 -12.492 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.747 4.817 -14.179 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.694 1.768 -13.828 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.446 2.706 -14.682 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.987 1.620 -13.349 1.00 0.00 H new ATOM 291 N GLU A 19 -2.830 6.939 -13.983 1.00 0.00 N ATOM 292 CA GLU A 19 -1.514 7.618 -13.830 1.00 0.00 C ATOM 293 C GLU A 19 -1.353 8.015 -12.368 1.00 0.00 C ATOM 294 O GLU A 19 -2.176 8.715 -11.814 1.00 0.00 O ATOM 295 CB GLU A 19 -1.468 8.865 -14.715 1.00 0.00 C ATOM 296 CG GLU A 19 -2.655 9.771 -14.383 1.00 0.00 C ATOM 297 CD GLU A 19 -3.354 10.192 -15.678 1.00 0.00 C ATOM 298 OE1 GLU A 19 -2.666 10.633 -16.583 1.00 0.00 O ATOM 299 OE2 GLU A 19 -4.566 10.067 -15.741 1.00 0.00 O ATOM 0 H GLU A 19 -3.573 7.511 -14.385 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.707 6.950 -14.130 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.532 9.401 -14.557 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.498 8.579 -15.766 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.356 9.247 -13.733 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.313 10.651 -13.839 1.00 0.00 H new ATOM 306 N ARG A 20 -0.322 7.549 -11.722 1.00 0.00 N ATOM 307 CA ARG A 20 -0.158 7.884 -10.285 1.00 0.00 C ATOM 308 C ARG A 20 1.294 8.215 -9.954 1.00 0.00 C ATOM 309 O ARG A 20 2.196 7.445 -10.211 1.00 0.00 O ATOM 310 CB ARG A 20 -0.584 6.680 -9.452 1.00 0.00 C ATOM 311 CG ARG A 20 -1.084 7.148 -8.088 1.00 0.00 C ATOM 312 CD ARG A 20 -2.214 8.166 -8.270 1.00 0.00 C ATOM 313 NE ARG A 20 -1.665 9.546 -8.144 1.00 0.00 N ATOM 314 CZ ARG A 20 -1.458 10.060 -6.963 1.00 0.00 C ATOM 315 NH1 ARG A 20 -1.295 9.277 -5.931 1.00 0.00 N ATOM 316 NH2 ARG A 20 -1.414 11.355 -6.813 1.00 0.00 N ATOM 0 H ARG A 20 0.406 6.957 -12.123 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.772 8.756 -10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.370 6.128 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.256 5.997 -9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.440 6.296 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.266 7.596 -7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.681 8.037 -9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.990 8.002 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.451 10.088 -8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.330 8.264 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.133 9.678 -5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.542 11.966 -7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.252 11.756 -5.889 1.00 0.00 H new ATOM 330 N ARG A 21 1.515 9.339 -9.335 1.00 0.00 N ATOM 331 CA ARG A 21 2.894 9.705 -8.927 1.00 0.00 C ATOM 332 C ARG A 21 2.984 9.476 -7.420 1.00 0.00 C ATOM 333 O ARG A 21 2.244 10.063 -6.655 1.00 0.00 O ATOM 334 CB ARG A 21 3.157 11.177 -9.248 1.00 0.00 C ATOM 335 CG ARG A 21 4.661 11.404 -9.418 1.00 0.00 C ATOM 336 CD ARG A 21 5.018 12.820 -8.964 1.00 0.00 C ATOM 337 NE ARG A 21 4.924 13.753 -10.123 1.00 0.00 N ATOM 338 CZ ARG A 21 5.841 14.662 -10.306 1.00 0.00 C ATOM 339 NH1 ARG A 21 6.396 15.245 -9.278 1.00 0.00 N ATOM 340 NH2 ARG A 21 6.205 14.989 -11.516 1.00 0.00 N ATOM 0 H ARG A 21 0.796 10.021 -9.094 1.00 0.00 H new ATOM 0 HA ARG A 21 3.633 9.106 -9.459 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.631 11.461 -10.159 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.772 11.809 -8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.218 10.672 -8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.945 11.263 -10.461 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.343 13.140 -8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.026 12.837 -8.551 1.00 0.00 H new ATOM 0 HE ARG A 21 4.142 13.680 -10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.112 14.989 -8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.113 15.956 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.772 14.533 -12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.922 15.700 -11.658 1.00 0.00 H new ATOM 354 N PHE A 22 3.854 8.613 -6.978 1.00 0.00 N ATOM 355 CA PHE A 22 3.933 8.349 -5.515 1.00 0.00 C ATOM 356 C PHE A 22 5.256 8.822 -4.945 1.00 0.00 C ATOM 357 O PHE A 22 6.308 8.540 -5.480 1.00 0.00 O ATOM 358 CB PHE A 22 3.864 6.850 -5.242 1.00 0.00 C ATOM 359 CG PHE A 22 2.670 6.229 -5.893 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.387 6.503 -5.418 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.855 5.353 -6.963 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.284 5.901 -6.023 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.756 4.753 -7.568 1.00 0.00 C ATOM 364 CZ PHE A 22 0.467 5.028 -7.099 1.00 0.00 C ATOM 0 H PHE A 22 4.506 8.085 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 22 3.100 8.880 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.771 6.370 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.825 6.676 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.249 7.178 -4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.851 5.141 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.712 6.109 -5.660 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.897 4.076 -8.398 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.388 4.565 -7.569 1.00 0.00 H new ATOM 374 N LEU A 23 5.222 9.464 -3.818 1.00 0.00 N ATOM 375 CA LEU A 23 6.497 9.858 -3.187 1.00 0.00 C ATOM 376 C LEU A 23 7.135 8.556 -2.720 1.00 0.00 C ATOM 377 O LEU A 23 6.473 7.709 -2.166 1.00 0.00 O ATOM 378 CB LEU A 23 6.233 10.776 -1.990 1.00 0.00 C ATOM 379 CG LEU A 23 7.114 12.020 -2.100 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.584 11.600 -2.161 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.752 12.789 -3.371 1.00 0.00 C ATOM 0 H LEU A 23 4.376 9.729 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 23 7.141 10.403 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.182 11.063 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.444 10.249 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 23 6.953 12.657 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.213 12.487 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.843 11.050 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.745 10.963 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.380 13.677 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.913 12.151 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.705 13.088 -3.330 1.00 0.00 H new ATOM 393 N ALA A 24 8.389 8.358 -2.972 1.00 0.00 N ATOM 394 CA ALA A 24 9.031 7.074 -2.563 1.00 0.00 C ATOM 395 C ALA A 24 8.561 6.641 -1.160 1.00 0.00 C ATOM 396 O ALA A 24 8.594 5.469 -0.819 1.00 0.00 O ATOM 397 CB ALA A 24 10.545 7.258 -2.572 1.00 0.00 C ATOM 0 H ALA A 24 9.003 9.023 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 24 8.743 6.293 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.027 6.326 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.872 7.532 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.820 8.048 -1.873 1.00 0.00 H new ATOM 403 N SER A 25 8.124 7.563 -0.343 1.00 0.00 N ATOM 404 CA SER A 25 7.660 7.188 1.027 1.00 0.00 C ATOM 405 C SER A 25 6.145 6.944 1.022 1.00 0.00 C ATOM 406 O SER A 25 5.549 6.669 2.045 1.00 0.00 O ATOM 407 CB SER A 25 7.986 8.321 2.000 1.00 0.00 C ATOM 408 OG SER A 25 6.863 9.187 2.103 1.00 0.00 O ATOM 0 H SER A 25 8.068 8.557 -0.564 1.00 0.00 H new ATOM 0 HA SER A 25 8.168 6.275 1.338 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.237 7.914 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.857 8.876 1.652 1.00 0.00 H new ATOM 0 HG SER A 25 7.067 9.914 2.727 1.00 0.00 H new ATOM 414 N ASN A 26 5.522 7.042 -0.119 1.00 0.00 N ATOM 415 CA ASN A 26 4.050 6.820 -0.195 1.00 0.00 C ATOM 416 C ASN A 26 3.715 5.425 0.332 1.00 0.00 C ATOM 417 O ASN A 26 4.584 4.686 0.757 1.00 0.00 O ATOM 418 CB ASN A 26 3.591 6.940 -1.650 1.00 0.00 C ATOM 419 CG ASN A 26 2.697 8.171 -1.801 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.974 9.043 -2.602 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.627 8.282 -1.061 1.00 0.00 N ATOM 0 H ASN A 26 5.971 7.267 -1.007 1.00 0.00 H new ATOM 0 HA ASN A 26 3.539 7.568 0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.455 7.021 -2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.047 6.043 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.024 9.100 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.394 7.551 -0.389 1.00 0.00 H new ATOM 428 N LYS A 27 2.462 5.057 0.313 1.00 0.00 N ATOM 429 CA LYS A 27 2.082 3.711 0.823 1.00 0.00 C ATOM 430 C LYS A 27 1.276 2.948 -0.233 1.00 0.00 C ATOM 431 O LYS A 27 0.391 3.484 -0.887 1.00 0.00 O ATOM 432 CB LYS A 27 1.243 3.861 2.096 1.00 0.00 C ATOM 433 CG LYS A 27 1.653 5.136 2.837 1.00 0.00 C ATOM 434 CD LYS A 27 0.614 6.231 2.585 1.00 0.00 C ATOM 435 CE LYS A 27 0.971 7.471 3.406 1.00 0.00 C ATOM 436 NZ LYS A 27 1.256 7.070 4.813 1.00 0.00 N ATOM 0 H LYS A 27 1.690 5.628 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 27 2.991 3.152 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.184 3.901 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.384 2.993 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.735 4.937 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.635 5.467 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.583 6.481 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.379 5.875 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.840 7.968 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.149 8.187 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.148 7.894 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.590 6.326 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.229 6.709 4.881 1.00 0.00 H new ATOM 450 N LEU A 28 1.572 1.690 -0.398 1.00 0.00 N ATOM 451 CA LEU A 28 0.829 0.883 -1.397 1.00 0.00 C ATOM 452 C LEU A 28 -0.672 1.064 -1.162 1.00 0.00 C ATOM 453 O LEU A 28 -1.436 1.232 -2.090 1.00 0.00 O ATOM 454 CB LEU A 28 1.182 -0.591 -1.225 1.00 0.00 C ATOM 455 CG LEU A 28 1.506 -1.228 -2.573 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.554 -0.427 -3.335 1.00 0.00 C ATOM 457 CD2 LEU A 28 2.015 -2.642 -2.324 1.00 0.00 C ATOM 0 H LEU A 28 2.296 1.188 0.116 1.00 0.00 H new ATOM 0 HA LEU A 28 1.095 1.208 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.036 -0.690 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.349 -1.118 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 28 0.603 -1.245 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.759 -0.911 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.182 0.582 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.472 -0.378 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.253 -3.116 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.911 -2.602 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.246 -3.221 -1.813 1.00 0.00 H new ATOM 469 N GLN A 29 -1.104 1.034 0.077 1.00 0.00 N ATOM 470 CA GLN A 29 -2.557 1.207 0.354 1.00 0.00 C ATOM 471 C GLN A 29 -3.041 2.459 -0.368 1.00 0.00 C ATOM 472 O GLN A 29 -4.067 2.450 -1.017 1.00 0.00 O ATOM 473 CB GLN A 29 -2.792 1.363 1.863 1.00 0.00 C ATOM 474 CG GLN A 29 -4.236 1.805 2.131 1.00 0.00 C ATOM 475 CD GLN A 29 -5.131 0.570 2.251 1.00 0.00 C ATOM 476 OE1 GLN A 29 -4.658 -0.513 2.534 1.00 0.00 O ATOM 477 NE2 GLN A 29 -6.414 0.688 2.047 1.00 0.00 N ATOM 0 H GLN A 29 -0.515 0.898 0.899 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.105 0.332 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.593 0.418 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.097 2.096 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.284 2.393 3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.588 2.446 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.811 1.597 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.020 -0.129 2.125 1.00 0.00 H new ATOM 486 N ILE A 30 -2.313 3.538 -0.276 1.00 0.00 N ATOM 487 CA ILE A 30 -2.760 4.762 -0.982 1.00 0.00 C ATOM 488 C ILE A 30 -2.843 4.445 -2.465 1.00 0.00 C ATOM 489 O ILE A 30 -3.789 4.795 -3.135 1.00 0.00 O ATOM 490 CB ILE A 30 -1.775 5.912 -0.737 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.588 7.202 -0.604 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.772 6.038 -1.899 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.694 8.422 -0.847 1.00 0.00 C ATOM 0 H ILE A 30 -1.443 3.621 0.249 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.735 5.074 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.202 5.720 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.410 7.197 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.031 7.260 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.086 6.861 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.208 5.110 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.312 6.232 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.286 9.332 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.887 8.433 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.272 8.370 -1.851 1.00 0.00 H new ATOM 505 N VAL A 31 -1.861 3.767 -2.980 1.00 0.00 N ATOM 506 CA VAL A 31 -1.915 3.416 -4.427 1.00 0.00 C ATOM 507 C VAL A 31 -3.226 2.691 -4.675 1.00 0.00 C ATOM 508 O VAL A 31 -4.014 3.043 -5.532 1.00 0.00 O ATOM 509 CB VAL A 31 -0.761 2.490 -4.805 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.567 2.538 -6.318 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.513 2.953 -4.105 1.00 0.00 C ATOM 0 H VAL A 31 -1.036 3.444 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.839 4.323 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.985 1.469 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.255 1.880 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.481 2.209 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.336 3.559 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.337 2.292 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.748 3.971 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.365 2.927 -3.025 1.00 0.00 H new ATOM 521 N PHE A 32 -3.454 1.671 -3.913 1.00 0.00 N ATOM 522 CA PHE A 32 -4.705 0.883 -4.065 1.00 0.00 C ATOM 523 C PHE A 32 -5.925 1.803 -3.946 1.00 0.00 C ATOM 524 O PHE A 32 -6.884 1.676 -4.686 1.00 0.00 O ATOM 525 CB PHE A 32 -4.755 -0.168 -2.956 1.00 0.00 C ATOM 526 CG PHE A 32 -3.490 -1.008 -2.986 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.568 -0.863 -4.034 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.240 -1.938 -1.966 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.409 -1.639 -4.057 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.076 -2.715 -1.995 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.165 -2.565 -3.037 1.00 0.00 C ATOM 0 H PHE A 32 -2.823 1.342 -3.182 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.719 0.404 -5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.857 0.318 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.629 -0.806 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.756 -0.150 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.946 -2.055 -1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.699 -1.525 -4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.885 -3.431 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.267 -3.165 -3.058 1.00 0.00 H new ATOM 541 N ASP A 33 -5.905 2.723 -3.018 1.00 0.00 N ATOM 542 CA ASP A 33 -7.076 3.633 -2.855 1.00 0.00 C ATOM 543 C ASP A 33 -7.187 4.577 -4.056 1.00 0.00 C ATOM 544 O ASP A 33 -8.252 4.772 -4.608 1.00 0.00 O ATOM 545 CB ASP A 33 -6.902 4.455 -1.577 1.00 0.00 C ATOM 546 CG ASP A 33 -8.062 4.168 -0.623 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.436 3.012 -0.508 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.556 5.108 -0.022 1.00 0.00 O ATOM 0 H ASP A 33 -5.134 2.883 -2.370 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.985 3.035 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.954 4.207 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.869 5.518 -1.817 1.00 0.00 H new ATOM 553 N PHE A 34 -6.101 5.174 -4.457 1.00 0.00 N ATOM 554 CA PHE A 34 -6.154 6.116 -5.608 1.00 0.00 C ATOM 555 C PHE A 34 -6.750 5.407 -6.828 1.00 0.00 C ATOM 556 O PHE A 34 -7.657 5.906 -7.464 1.00 0.00 O ATOM 557 CB PHE A 34 -4.724 6.606 -5.914 1.00 0.00 C ATOM 558 CG PHE A 34 -4.257 6.102 -7.262 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.736 6.692 -8.437 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.360 5.037 -7.329 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.312 6.211 -9.681 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.933 4.558 -8.567 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.410 5.143 -9.745 1.00 0.00 C ATOM 0 H PHE A 34 -5.179 5.051 -4.038 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.785 6.971 -5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.698 7.696 -5.900 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.043 6.261 -5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.431 7.517 -8.384 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.995 4.582 -6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.680 6.663 -10.590 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.234 3.736 -8.616 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.082 4.770 -10.704 1.00 0.00 H new ATOM 573 N VAL A 35 -6.240 4.254 -7.169 1.00 0.00 N ATOM 574 CA VAL A 35 -6.794 3.553 -8.365 1.00 0.00 C ATOM 575 C VAL A 35 -8.261 3.227 -8.109 1.00 0.00 C ATOM 576 O VAL A 35 -9.121 3.576 -8.893 1.00 0.00 O ATOM 577 CB VAL A 35 -6.028 2.255 -8.669 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.978 2.528 -9.748 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.336 1.730 -7.409 1.00 0.00 C ATOM 0 H VAL A 35 -5.481 3.775 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.690 4.211 -9.228 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.736 1.503 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.433 1.610 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.471 2.881 -10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.281 3.288 -9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.799 0.811 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.632 2.477 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.083 1.527 -6.641 1.00 0.00 H new ATOM 589 N ALA A 36 -8.572 2.595 -7.007 1.00 0.00 N ATOM 590 CA ALA A 36 -10.002 2.291 -6.729 1.00 0.00 C ATOM 591 C ALA A 36 -10.768 3.614 -6.636 1.00 0.00 C ATOM 592 O ALA A 36 -11.979 3.653 -6.673 1.00 0.00 O ATOM 593 CB ALA A 36 -10.133 1.495 -5.429 1.00 0.00 C ATOM 0 H ALA A 36 -7.908 2.282 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.418 1.683 -7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.184 1.280 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.581 0.559 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.727 2.078 -4.603 1.00 0.00 H new ATOM 599 N SER A 37 -10.067 4.707 -6.537 1.00 0.00 N ATOM 600 CA SER A 37 -10.752 6.024 -6.479 1.00 0.00 C ATOM 601 C SER A 37 -10.982 6.513 -7.915 1.00 0.00 C ATOM 602 O SER A 37 -11.714 7.453 -8.152 1.00 0.00 O ATOM 603 CB SER A 37 -9.875 7.026 -5.728 1.00 0.00 C ATOM 604 OG SER A 37 -10.339 8.344 -5.991 1.00 0.00 O ATOM 0 H SER A 37 -9.049 4.744 -6.494 1.00 0.00 H new ATOM 0 HA SER A 37 -11.705 5.930 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.906 6.824 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.836 6.924 -6.041 1.00 0.00 H new ATOM 0 HG SER A 37 -9.780 8.990 -5.510 1.00 0.00 H new ATOM 610 N LYS A 38 -10.342 5.887 -8.876 1.00 0.00 N ATOM 611 CA LYS A 38 -10.502 6.318 -10.295 1.00 0.00 C ATOM 612 C LYS A 38 -11.755 5.683 -10.915 1.00 0.00 C ATOM 613 O LYS A 38 -12.797 6.304 -10.997 1.00 0.00 O ATOM 614 CB LYS A 38 -9.269 5.883 -11.093 1.00 0.00 C ATOM 615 CG LYS A 38 -8.523 7.120 -11.604 1.00 0.00 C ATOM 616 CD LYS A 38 -8.159 8.020 -10.421 1.00 0.00 C ATOM 617 CE LYS A 38 -8.420 9.482 -10.793 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.757 10.372 -9.798 1.00 0.00 N ATOM 0 H LYS A 38 -9.715 5.095 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.608 7.402 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.611 5.283 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.569 5.255 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.621 6.820 -12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.145 7.666 -12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.749 7.745 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.111 7.883 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.038 9.688 -11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.492 9.677 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.933 11.366 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.142 10.181 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.733 10.191 -9.799 1.00 0.00 H new ATOM 632 N GLY A 39 -11.658 4.462 -11.379 1.00 0.00 N ATOM 633 CA GLY A 39 -12.841 3.811 -12.022 1.00 0.00 C ATOM 634 C GLY A 39 -13.136 2.452 -11.369 1.00 0.00 C ATOM 635 O GLY A 39 -14.153 1.836 -11.620 1.00 0.00 O ATOM 0 H GLY A 39 -10.815 3.890 -11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.712 4.460 -11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.653 3.675 -13.087 1.00 0.00 H new ATOM 745 N LYS A 46 -6.672 -5.764 -6.861 1.00 0.00 N ATOM 746 CA LYS A 46 -5.210 -5.912 -6.639 1.00 0.00 C ATOM 747 C LYS A 46 -4.495 -5.553 -7.938 1.00 0.00 C ATOM 748 O LYS A 46 -4.915 -5.929 -9.018 1.00 0.00 O ATOM 749 CB LYS A 46 -4.890 -7.359 -6.257 1.00 0.00 C ATOM 750 CG LYS A 46 -4.599 -7.439 -4.758 1.00 0.00 C ATOM 751 CD LYS A 46 -5.555 -8.439 -4.103 1.00 0.00 C ATOM 752 CE LYS A 46 -6.999 -7.992 -4.339 1.00 0.00 C ATOM 753 NZ LYS A 46 -7.484 -7.234 -3.151 1.00 0.00 N ATOM 0 HA LYS A 46 -4.881 -5.256 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.729 -8.007 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.030 -7.714 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.566 -7.746 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.716 -6.456 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.398 -9.434 -4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.353 -8.505 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.057 -7.368 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.635 -8.859 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.466 -6.930 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.443 -7.844 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.882 -6.399 -3.003 1.00 0.00 H new ATOM 767 N LEU A 47 -3.432 -4.814 -7.847 1.00 0.00 N ATOM 768 CA LEU A 47 -2.696 -4.413 -9.072 1.00 0.00 C ATOM 769 C LEU A 47 -1.559 -5.399 -9.326 1.00 0.00 C ATOM 770 O LEU A 47 -1.019 -5.976 -8.413 1.00 0.00 O ATOM 771 CB LEU A 47 -2.126 -3.014 -8.868 1.00 0.00 C ATOM 772 CG LEU A 47 -3.260 -2.063 -8.496 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.752 -1.038 -7.484 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.753 -1.348 -9.755 1.00 0.00 C ATOM 0 H LEU A 47 -3.038 -4.468 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.370 -4.415 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.372 -3.026 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.632 -2.673 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.083 -2.626 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.561 -0.358 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.401 -1.553 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.931 -0.471 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.563 -0.668 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.933 -0.782 -10.197 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.115 -2.084 -10.473 1.00 0.00 H new ATOM 786 N LEU A 48 -1.195 -5.596 -10.559 1.00 0.00 N ATOM 787 CA LEU A 48 -0.089 -6.539 -10.870 1.00 0.00 C ATOM 788 C LEU A 48 1.101 -5.730 -11.389 1.00 0.00 C ATOM 789 O LEU A 48 0.993 -5.013 -12.363 1.00 0.00 O ATOM 790 CB LEU A 48 -0.558 -7.535 -11.940 1.00 0.00 C ATOM 791 CG LEU A 48 0.640 -8.242 -12.586 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.245 -7.345 -13.668 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.701 -8.552 -11.525 1.00 0.00 C ATOM 0 H LEU A 48 -1.618 -5.142 -11.369 1.00 0.00 H new ATOM 0 HA LEU A 48 0.204 -7.094 -9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.223 -8.273 -11.491 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.133 -7.012 -12.704 1.00 0.00 H new ATOM 0 HG LEU A 48 0.301 -9.175 -13.035 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.096 -7.850 -14.125 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.494 -7.137 -14.430 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.577 -6.408 -13.220 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.548 -9.054 -11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.039 -7.623 -11.066 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.272 -9.200 -10.760 1.00 0.00 H new ATOM 805 N SER A 49 2.235 -5.824 -10.745 1.00 0.00 N ATOM 806 CA SER A 49 3.406 -5.036 -11.219 1.00 0.00 C ATOM 807 C SER A 49 3.979 -5.696 -12.471 1.00 0.00 C ATOM 808 O SER A 49 4.344 -6.861 -12.464 1.00 0.00 O ATOM 809 CB SER A 49 4.476 -4.977 -10.131 1.00 0.00 C ATOM 810 OG SER A 49 4.297 -6.066 -9.234 1.00 0.00 O ATOM 0 H SER A 49 2.398 -6.405 -9.922 1.00 0.00 H new ATOM 0 HA SER A 49 3.087 -4.020 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.469 -5.020 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.410 -4.032 -9.591 1.00 0.00 H new ATOM 0 HG SER A 49 4.134 -6.887 -9.744 1.00 0.00 H new ATOM 816 N THR A 50 4.035 -4.957 -13.548 1.00 0.00 N ATOM 817 CA THR A 50 4.550 -5.512 -14.831 1.00 0.00 C ATOM 818 C THR A 50 6.073 -5.661 -14.789 1.00 0.00 C ATOM 819 O THR A 50 6.604 -6.697 -15.139 1.00 0.00 O ATOM 820 CB THR A 50 4.168 -4.567 -15.972 1.00 0.00 C ATOM 821 OG1 THR A 50 4.927 -3.370 -15.868 1.00 0.00 O ATOM 822 CG2 THR A 50 2.677 -4.236 -15.885 1.00 0.00 C ATOM 0 H THR A 50 3.742 -3.981 -13.592 1.00 0.00 H new ATOM 0 HA THR A 50 4.110 -6.496 -14.989 1.00 0.00 H new ATOM 0 HB THR A 50 4.376 -5.048 -16.928 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.545 -2.800 -15.168 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.406 -3.563 -16.698 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.095 -5.154 -15.965 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.466 -3.755 -14.930 1.00 0.00 H new ATOM 830 N PHE A 51 6.785 -4.639 -14.386 1.00 0.00 N ATOM 831 CA PHE A 51 8.272 -4.749 -14.352 1.00 0.00 C ATOM 832 C PHE A 51 8.666 -6.112 -13.771 1.00 0.00 C ATOM 833 O PHE A 51 9.239 -6.926 -14.469 1.00 0.00 O ATOM 834 CB PHE A 51 8.870 -3.614 -13.519 1.00 0.00 C ATOM 835 CG PHE A 51 9.613 -2.663 -14.426 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.902 -1.788 -15.257 1.00 0.00 C ATOM 837 CD2 PHE A 51 11.013 -2.655 -14.438 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.591 -0.906 -16.098 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.702 -1.774 -15.279 1.00 0.00 C ATOM 840 CZ PHE A 51 10.991 -0.899 -16.109 1.00 0.00 C ATOM 0 H PHE A 51 6.405 -3.743 -14.082 1.00 0.00 H new ATOM 0 HA PHE A 51 8.665 -4.667 -15.365 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.080 -3.084 -12.987 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.546 -4.018 -12.766 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.822 -1.794 -15.249 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.562 -3.330 -13.797 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.043 -0.231 -16.738 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.782 -1.769 -15.288 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.522 -0.219 -16.758 1.00 0.00 H new ATOM 850 N PRO A 52 8.327 -6.346 -12.524 1.00 0.00 N ATOM 851 CA PRO A 52 8.619 -7.630 -11.871 1.00 0.00 C ATOM 852 C PRO A 52 7.563 -8.655 -12.289 1.00 0.00 C ATOM 853 O PRO A 52 7.719 -9.844 -12.093 1.00 0.00 O ATOM 854 CB PRO A 52 8.493 -7.318 -10.380 1.00 0.00 C ATOM 855 CG PRO A 52 7.582 -6.073 -10.277 1.00 0.00 C ATOM 856 CD PRO A 52 7.636 -5.373 -11.650 1.00 0.00 C ATOM 0 HA PRO A 52 9.595 -8.040 -12.130 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.062 -8.162 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.470 -7.123 -9.939 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.560 -6.360 -10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.927 -5.405 -9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.637 -5.144 -12.020 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.180 -4.430 -11.596 1.00 0.00 H new ATOM 864 N ARG A 53 6.477 -8.192 -12.854 1.00 0.00 N ATOM 865 CA ARG A 53 5.396 -9.125 -13.275 1.00 0.00 C ATOM 866 C ARG A 53 4.927 -9.912 -12.053 1.00 0.00 C ATOM 867 O ARG A 53 4.766 -11.115 -12.101 1.00 0.00 O ATOM 868 CB ARG A 53 5.934 -10.090 -14.333 1.00 0.00 C ATOM 869 CG ARG A 53 4.800 -10.502 -15.275 1.00 0.00 C ATOM 870 CD ARG A 53 4.813 -12.020 -15.459 1.00 0.00 C ATOM 871 NE ARG A 53 5.590 -12.365 -16.684 1.00 0.00 N ATOM 872 CZ ARG A 53 5.681 -13.609 -17.069 1.00 0.00 C ATOM 873 NH1 ARG A 53 4.642 -14.394 -16.992 1.00 0.00 N ATOM 874 NH2 ARG A 53 6.812 -14.067 -17.533 1.00 0.00 N ATOM 0 H ARG A 53 6.295 -7.206 -13.041 1.00 0.00 H new ATOM 0 HA ARG A 53 4.563 -8.564 -13.698 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.736 -9.616 -14.898 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.360 -10.971 -13.853 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.841 -10.183 -14.867 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.917 -10.007 -16.239 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.257 -12.499 -14.587 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.793 -12.396 -15.544 1.00 0.00 H new ATOM 0 HE ARG A 53 6.050 -11.630 -17.221 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.758 -14.036 -16.631 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.714 -15.366 -17.293 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.624 -13.453 -17.595 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.884 -15.039 -17.834 1.00 0.00 H new ATOM 888 N ARG A 54 4.717 -9.243 -10.950 1.00 0.00 N ATOM 889 CA ARG A 54 4.272 -9.966 -9.723 1.00 0.00 C ATOM 890 C ARG A 54 3.148 -9.196 -9.022 1.00 0.00 C ATOM 891 O ARG A 54 2.889 -8.046 -9.311 1.00 0.00 O ATOM 892 CB ARG A 54 5.460 -10.131 -8.773 1.00 0.00 C ATOM 893 CG ARG A 54 5.752 -8.807 -8.065 1.00 0.00 C ATOM 894 CD ARG A 54 6.812 -9.034 -6.986 1.00 0.00 C ATOM 895 NE ARG A 54 6.578 -10.351 -6.331 1.00 0.00 N ATOM 896 CZ ARG A 54 5.885 -10.418 -5.227 1.00 0.00 C ATOM 897 NH1 ARG A 54 6.439 -10.868 -4.135 1.00 0.00 N ATOM 898 NH2 ARG A 54 4.637 -10.036 -5.216 1.00 0.00 N ATOM 0 H ARG A 54 4.833 -8.235 -10.846 1.00 0.00 H new ATOM 0 HA ARG A 54 3.892 -10.947 -10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.243 -10.906 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.339 -10.457 -9.330 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.101 -8.066 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.840 -8.412 -7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.808 -9.007 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.770 -8.235 -6.246 1.00 0.00 H new ATOM 0 HE ARG A 54 6.960 -11.201 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.414 -11.168 -4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.897 -10.920 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.203 -9.685 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.095 -10.088 -4.353 1.00 0.00 H new ATOM 912 N ASP A 55 2.481 -9.833 -8.095 1.00 0.00 N ATOM 913 CA ASP A 55 1.369 -9.162 -7.363 1.00 0.00 C ATOM 914 C ASP A 55 1.813 -7.778 -6.880 1.00 0.00 C ATOM 915 O ASP A 55 2.644 -7.663 -6.006 1.00 0.00 O ATOM 916 CB ASP A 55 0.968 -10.015 -6.158 1.00 0.00 C ATOM 917 CG ASP A 55 -0.554 -9.998 -6.002 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.088 -8.939 -5.715 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.159 -11.044 -6.173 1.00 0.00 O ATOM 0 H ASP A 55 2.661 -10.796 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 55 0.519 -9.048 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.319 -11.038 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.441 -9.631 -5.254 1.00 0.00 H new ATOM 924 N VAL A 56 1.240 -6.745 -7.455 1.00 0.00 N ATOM 925 CA VAL A 56 1.562 -5.324 -7.085 1.00 0.00 C ATOM 926 C VAL A 56 2.901 -5.209 -6.357 1.00 0.00 C ATOM 927 O VAL A 56 3.036 -5.574 -5.217 1.00 0.00 O ATOM 928 CB VAL A 56 0.429 -4.744 -6.226 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.572 -5.198 -4.778 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.470 -3.214 -6.289 1.00 0.00 C ATOM 0 H VAL A 56 0.539 -6.831 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 56 1.651 -4.749 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.524 -5.103 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.239 -4.778 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.530 -6.286 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.528 -4.855 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.334 -2.803 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.429 -2.860 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.345 -2.889 -7.322 1.00 0.00 H new ATOM 940 N THR A 57 3.873 -4.680 -7.043 1.00 0.00 N ATOM 941 CA THR A 57 5.252 -4.482 -6.486 1.00 0.00 C ATOM 942 C THR A 57 5.412 -4.993 -5.040 1.00 0.00 C ATOM 943 O THR A 57 5.390 -4.233 -4.097 1.00 0.00 O ATOM 944 CB THR A 57 5.600 -2.990 -6.534 1.00 0.00 C ATOM 945 OG1 THR A 57 6.473 -2.674 -5.462 1.00 0.00 O ATOM 946 CG2 THR A 57 4.323 -2.153 -6.421 1.00 0.00 C ATOM 0 H THR A 57 3.769 -4.362 -8.007 1.00 0.00 H new ATOM 0 HA THR A 57 5.931 -5.070 -7.103 1.00 0.00 H new ATOM 0 HB THR A 57 6.090 -2.766 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.399 -2.678 -5.782 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.578 -1.094 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.656 -2.393 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.825 -2.375 -5.478 1.00 0.00 H new ATOM 954 N GLN A 58 5.627 -6.274 -4.877 1.00 0.00 N ATOM 955 CA GLN A 58 5.867 -6.851 -3.507 1.00 0.00 C ATOM 956 C GLN A 58 4.579 -7.011 -2.685 1.00 0.00 C ATOM 957 O GLN A 58 4.578 -7.668 -1.663 1.00 0.00 O ATOM 958 CB GLN A 58 6.837 -5.946 -2.744 1.00 0.00 C ATOM 959 CG GLN A 58 8.085 -6.743 -2.360 1.00 0.00 C ATOM 960 CD GLN A 58 7.975 -7.190 -0.902 1.00 0.00 C ATOM 961 OE1 GLN A 58 8.251 -6.427 0.002 1.00 0.00 O ATOM 962 NE2 GLN A 58 7.581 -8.404 -0.632 1.00 0.00 N ATOM 0 H GLN A 58 5.648 -6.955 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 58 6.284 -7.848 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.114 -5.091 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.355 -5.551 -1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.190 -7.611 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.977 -6.132 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.349 -9.045 -1.390 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.505 -8.712 0.337 1.00 0.00 H new ATOM 971 N LEU A 59 3.493 -6.432 -3.100 1.00 0.00 N ATOM 972 CA LEU A 59 2.229 -6.575 -2.317 1.00 0.00 C ATOM 973 C LEU A 59 2.359 -5.855 -0.974 1.00 0.00 C ATOM 974 O LEU A 59 3.279 -5.095 -0.753 1.00 0.00 O ATOM 975 CB LEU A 59 1.939 -8.058 -2.079 1.00 0.00 C ATOM 976 CG LEU A 59 0.840 -8.514 -3.038 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.700 -10.035 -2.969 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.485 -7.861 -2.641 1.00 0.00 C ATOM 0 H LEU A 59 3.420 -5.866 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 59 1.409 -6.130 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.842 -8.647 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.628 -8.219 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 59 1.100 -8.220 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.084 -10.360 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.644 -10.500 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.440 -10.331 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.270 -8.186 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.745 -8.155 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.386 -6.777 -2.691 1.00 0.00 H new ATOM 990 N ASP A 60 1.432 -6.088 -0.080 1.00 0.00 N ATOM 991 CA ASP A 60 1.480 -5.419 1.252 1.00 0.00 C ATOM 992 C ASP A 60 0.957 -3.983 1.120 1.00 0.00 C ATOM 993 O ASP A 60 1.719 -3.064 0.886 1.00 0.00 O ATOM 994 CB ASP A 60 2.920 -5.400 1.771 1.00 0.00 C ATOM 995 CG ASP A 60 3.575 -6.758 1.514 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.849 -7.705 1.257 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.791 -6.828 1.577 1.00 0.00 O ATOM 0 H ASP A 60 0.640 -6.716 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 60 0.856 -5.969 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.486 -4.612 1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.930 -5.176 2.838 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.334 -3.835 1.286 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.000 -2.523 1.187 1.00 0.00 C ATOM 1004 C PRO A 61 -0.618 -1.652 2.374 1.00 0.00 C ATOM 1005 O PRO A 61 -0.784 -0.449 2.363 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.494 -2.868 1.197 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.609 -4.272 1.828 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.243 -4.953 1.616 1.00 0.00 C ATOM 0 HA PRO A 61 -0.717 -1.959 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.059 -2.135 1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.902 -2.861 0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.849 -4.203 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.407 -4.846 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.917 -5.481 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.283 -5.686 0.810 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.085 -2.258 3.386 1.00 0.00 N ATOM 1017 CA ASN A 62 0.332 -1.486 4.587 1.00 0.00 C ATOM 1018 C ASN A 62 1.818 -1.157 4.481 1.00 0.00 C ATOM 1019 O ASN A 62 2.405 -0.590 5.381 1.00 0.00 O ATOM 1020 CB ASN A 62 0.083 -2.324 5.844 1.00 0.00 C ATOM 1021 CG ASN A 62 -1.084 -1.727 6.633 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -1.734 -0.806 6.178 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -1.380 -2.215 7.807 1.00 0.00 N ATOM 0 H ASN A 62 0.083 -3.263 3.438 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.244 -0.563 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.140 -3.355 5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.980 -2.346 6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.156 -1.824 8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.836 -2.988 8.190 1.00 0.00 H new ATOM 1030 N LYS A 63 2.434 -1.512 3.387 1.00 0.00 N ATOM 1031 CA LYS A 63 3.881 -1.223 3.227 1.00 0.00 C ATOM 1032 C LYS A 63 4.064 0.107 2.498 1.00 0.00 C ATOM 1033 O LYS A 63 3.181 0.580 1.807 1.00 0.00 O ATOM 1034 CB LYS A 63 4.538 -2.342 2.419 1.00 0.00 C ATOM 1035 CG LYS A 63 5.420 -3.189 3.340 1.00 0.00 C ATOM 1036 CD LYS A 63 4.589 -3.705 4.516 1.00 0.00 C ATOM 1037 CE LYS A 63 5.449 -3.719 5.782 1.00 0.00 C ATOM 1038 NZ LYS A 63 4.854 -2.806 6.797 1.00 0.00 N ATOM 0 H LYS A 63 1.996 -1.989 2.599 1.00 0.00 H new ATOM 0 HA LYS A 63 4.347 -1.161 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.774 -2.966 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.137 -1.919 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.843 -4.027 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.257 -2.594 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.715 -3.070 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.221 -4.709 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.512 -4.732 6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.466 -3.405 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.438 -2.815 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.816 -1.840 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.892 -3.125 7.029 1.00 0.00 H new ATOM 1052 N SER A 64 5.212 0.702 2.638 1.00 0.00 N ATOM 1053 CA SER A 64 5.480 1.990 1.950 1.00 0.00 C ATOM 1054 C SER A 64 6.072 1.655 0.587 1.00 0.00 C ATOM 1055 O SER A 64 6.313 0.503 0.291 1.00 0.00 O ATOM 1056 CB SER A 64 6.473 2.819 2.764 1.00 0.00 C ATOM 1057 OG SER A 64 7.798 2.419 2.438 1.00 0.00 O ATOM 0 H SER A 64 5.982 0.348 3.205 1.00 0.00 H new ATOM 0 HA SER A 64 4.565 2.572 1.842 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.339 3.880 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.291 2.682 3.830 1.00 0.00 H new ATOM 0 HG SER A 64 8.437 2.950 2.958 1.00 0.00 H new ATOM 1063 N LEU A 65 6.284 2.616 -0.263 1.00 0.00 N ATOM 1064 CA LEU A 65 6.822 2.270 -1.601 1.00 0.00 C ATOM 1065 C LEU A 65 8.284 1.867 -1.478 1.00 0.00 C ATOM 1066 O LEU A 65 8.696 0.878 -2.032 1.00 0.00 O ATOM 1067 CB LEU A 65 6.681 3.462 -2.538 1.00 0.00 C ATOM 1068 CG LEU A 65 5.238 3.522 -3.032 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.061 4.735 -3.930 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.909 2.255 -3.828 1.00 0.00 C ATOM 0 H LEU A 65 6.112 3.607 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 65 6.258 1.432 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.942 4.384 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.366 3.365 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 65 4.569 3.596 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.031 4.779 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.291 5.640 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.734 4.657 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.878 2.303 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.580 2.178 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.035 1.381 -3.189 1.00 0.00 H new ATOM 1082 N LEU A 66 9.071 2.602 -0.754 1.00 0.00 N ATOM 1083 CA LEU A 66 10.502 2.210 -0.615 1.00 0.00 C ATOM 1084 C LEU A 66 10.599 0.735 -0.226 1.00 0.00 C ATOM 1085 O LEU A 66 11.399 -0.003 -0.767 1.00 0.00 O ATOM 1086 CB LEU A 66 11.160 3.069 0.470 1.00 0.00 C ATOM 1087 CG LEU A 66 12.013 4.184 -0.156 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.458 4.590 -1.526 1.00 0.00 C ATOM 1089 CD2 LEU A 66 11.993 5.400 0.769 1.00 0.00 C ATOM 0 H LEU A 66 8.794 3.448 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 66 11.013 2.365 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.392 3.507 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.784 2.442 1.107 1.00 0.00 H new ATOM 0 HG LEU A 66 13.031 3.817 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.078 5.380 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.465 3.727 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.436 4.952 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.595 6.198 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.967 5.746 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.402 5.125 1.741 1.00 0.00 H new ATOM 1101 N GLU A 67 9.789 0.288 0.691 1.00 0.00 N ATOM 1102 CA GLU A 67 9.859 -1.152 1.085 1.00 0.00 C ATOM 1103 C GLU A 67 9.544 -1.997 -0.143 1.00 0.00 C ATOM 1104 O GLU A 67 10.122 -3.043 -0.357 1.00 0.00 O ATOM 1105 CB GLU A 67 8.845 -1.485 2.190 1.00 0.00 C ATOM 1106 CG GLU A 67 8.327 -0.208 2.845 1.00 0.00 C ATOM 1107 CD GLU A 67 7.797 -0.530 4.244 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.083 -1.611 4.731 1.00 0.00 O ATOM 1109 OE2 GLU A 67 7.113 0.312 4.804 1.00 0.00 O ATOM 0 H GLU A 67 9.089 0.846 1.181 1.00 0.00 H new ATOM 0 HA GLU A 67 10.858 -1.362 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.012 -2.048 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.313 -2.121 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.126 0.531 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.536 0.230 2.237 1.00 0.00 H new ATOM 1116 N VAL A 68 8.638 -1.541 -0.960 1.00 0.00 N ATOM 1117 CA VAL A 68 8.301 -2.320 -2.185 1.00 0.00 C ATOM 1118 C VAL A 68 9.078 -1.761 -3.386 1.00 0.00 C ATOM 1119 O VAL A 68 8.922 -2.215 -4.499 1.00 0.00 O ATOM 1120 CB VAL A 68 6.794 -2.279 -2.457 1.00 0.00 C ATOM 1121 CG1 VAL A 68 6.061 -3.058 -1.364 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.280 -0.841 -2.474 1.00 0.00 C ATOM 0 H VAL A 68 8.120 -0.671 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 68 8.588 -3.360 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 68 6.608 -2.728 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.988 -3.031 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.403 -4.093 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.269 -2.606 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.208 -0.840 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.473 -0.374 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.792 -0.281 -3.257 1.00 0.00 H new ATOM 1132 N LYS A 69 9.915 -0.779 -3.157 1.00 0.00 N ATOM 1133 CA LYS A 69 10.725 -0.179 -4.259 1.00 0.00 C ATOM 1134 C LYS A 69 9.893 -0.032 -5.534 1.00 0.00 C ATOM 1135 O LYS A 69 10.042 -0.771 -6.486 1.00 0.00 O ATOM 1136 CB LYS A 69 11.974 -1.039 -4.528 1.00 0.00 C ATOM 1137 CG LYS A 69 11.586 -2.459 -4.966 1.00 0.00 C ATOM 1138 CD LYS A 69 11.403 -3.350 -3.737 1.00 0.00 C ATOM 1139 CE LYS A 69 10.301 -4.374 -4.014 1.00 0.00 C ATOM 1140 NZ LYS A 69 10.913 -5.718 -4.219 1.00 0.00 N ATOM 0 H LYS A 69 10.072 -0.363 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 69 11.042 0.816 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.582 -0.570 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.586 -1.088 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.664 -2.431 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.358 -2.873 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.337 -3.859 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.142 -2.744 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.600 -4.405 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.732 -4.083 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.165 -6.415 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.565 -5.683 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.437 -5.995 -3.364 1.00 0.00 H new ATOM 1207 N GLN A 73 9.999 4.799 -13.072 1.00 0.00 N ATOM 1208 CA GLN A 73 8.876 4.611 -14.035 1.00 0.00 C ATOM 1209 C GLN A 73 8.399 3.159 -13.977 1.00 0.00 C ATOM 1210 O GLN A 73 9.109 2.249 -14.356 1.00 0.00 O ATOM 1211 CB GLN A 73 9.359 4.933 -15.451 1.00 0.00 C ATOM 1212 CG GLN A 73 10.147 6.244 -15.438 1.00 0.00 C ATOM 1213 CD GLN A 73 11.046 6.313 -16.674 1.00 0.00 C ATOM 1214 OE1 GLN A 73 10.659 6.847 -17.693 1.00 0.00 O ATOM 1215 NE2 GLN A 73 12.242 5.790 -16.625 1.00 0.00 N ATOM 0 HA GLN A 73 8.054 5.277 -13.773 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.986 4.124 -15.825 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.508 5.015 -16.127 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.462 7.092 -15.426 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.750 6.309 -14.533 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.568 5.341 -15.769 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.850 5.830 -17.443 1.00 0.00 H new ATOM 1224 N GLU A 74 7.206 2.927 -13.491 1.00 0.00 N ATOM 1225 CA GLU A 74 6.711 1.521 -13.403 1.00 0.00 C ATOM 1226 C GLU A 74 5.261 1.433 -13.898 1.00 0.00 C ATOM 1227 O GLU A 74 4.493 2.363 -13.775 1.00 0.00 O ATOM 1228 CB GLU A 74 6.793 1.046 -11.950 1.00 0.00 C ATOM 1229 CG GLU A 74 8.227 0.624 -11.633 1.00 0.00 C ATOM 1230 CD GLU A 74 8.212 -0.647 -10.781 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.374 -0.736 -9.899 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.039 -1.511 -11.027 1.00 0.00 O ATOM 0 H GLU A 74 6.560 3.641 -13.155 1.00 0.00 H new ATOM 0 HA GLU A 74 7.332 0.884 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.480 1.844 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.113 0.210 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.778 0.448 -12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.743 1.424 -11.102 1.00 0.00 H new ATOM 1239 N THR A 75 4.884 0.317 -14.467 1.00 0.00 N ATOM 1240 CA THR A 75 3.487 0.168 -14.970 1.00 0.00 C ATOM 1241 C THR A 75 2.802 -0.987 -14.232 1.00 0.00 C ATOM 1242 O THR A 75 3.365 -2.050 -14.065 1.00 0.00 O ATOM 1243 CB THR A 75 3.510 -0.127 -16.471 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.320 0.837 -17.130 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.087 -0.066 -17.026 1.00 0.00 C ATOM 0 H THR A 75 5.483 -0.497 -14.605 1.00 0.00 H new ATOM 0 HA THR A 75 2.937 1.092 -14.793 1.00 0.00 H new ATOM 0 HB THR A 75 3.921 -1.122 -16.640 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.337 0.648 -18.091 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.104 -0.276 -18.095 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.467 -0.807 -16.521 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.673 0.928 -16.858 1.00 0.00 H new ATOM 1253 N LEU A 76 1.592 -0.785 -13.779 1.00 0.00 N ATOM 1254 CA LEU A 76 0.877 -1.868 -13.042 1.00 0.00 C ATOM 1255 C LEU A 76 -0.390 -2.274 -13.798 1.00 0.00 C ATOM 1256 O LEU A 76 -0.852 -1.577 -14.675 1.00 0.00 O ATOM 1257 CB LEU A 76 0.490 -1.373 -11.651 1.00 0.00 C ATOM 1258 CG LEU A 76 1.374 -2.048 -10.605 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.739 -1.037 -9.524 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.609 -3.206 -9.970 1.00 0.00 C ATOM 0 H LEU A 76 1.068 0.084 -13.888 1.00 0.00 H new ATOM 0 HA LEU A 76 1.539 -2.730 -12.958 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.603 -0.290 -11.594 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.559 -1.594 -11.454 1.00 0.00 H new ATOM 0 HG LEU A 76 2.281 -2.422 -11.080 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.370 -1.516 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.278 -0.203 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.830 -0.668 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.237 -3.691 -9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.295 -2.827 -9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.338 -3.929 -10.740 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.958 -3.401 -13.461 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.201 -3.852 -14.152 1.00 0.00 C ATOM 1274 C PHE A 77 -3.321 -4.019 -13.117 1.00 0.00 C ATOM 1275 O PHE A 77 -3.080 -4.391 -11.990 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.939 -5.195 -14.836 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.494 -4.962 -16.259 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -2.398 -4.460 -17.202 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.178 -5.252 -16.636 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -1.986 -4.247 -18.522 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.236 -5.039 -17.957 1.00 0.00 C ATOM 1282 CZ PHE A 77 -0.668 -4.536 -18.900 1.00 0.00 C ATOM 0 H PHE A 77 -0.614 -4.030 -12.735 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.497 -3.114 -14.897 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.174 -5.748 -14.291 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.843 -5.804 -14.822 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.414 -4.237 -16.911 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.519 -5.640 -15.908 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.684 -3.860 -19.250 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.252 -5.263 -18.248 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.350 -4.371 -19.919 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.547 -3.756 -13.485 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.660 -3.916 -12.502 1.00 0.00 C ATOM 1294 C LEU A 78 -6.124 -5.374 -12.503 1.00 0.00 C ATOM 1295 O LEU A 78 -6.265 -5.986 -13.544 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.822 -3.005 -12.899 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.388 -2.310 -11.658 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.388 -0.801 -11.882 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.825 -2.775 -11.414 1.00 0.00 C ATOM 0 H LEU A 78 -4.825 -3.440 -14.414 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.315 -3.645 -11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.482 -2.261 -13.620 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.602 -3.589 -13.387 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.772 -2.560 -10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.790 -0.302 -11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.368 -0.459 -12.058 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.006 -0.562 -12.748 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.223 -2.277 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.440 -2.525 -12.279 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.837 -3.854 -11.260 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.357 -5.944 -11.350 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.802 -7.365 -11.307 1.00 0.00 C ATOM 1313 C GLU A 79 -7.811 -7.547 -10.175 1.00 0.00 C ATOM 1314 O GLU A 79 -7.804 -6.821 -9.201 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.595 -8.272 -11.064 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.742 -9.552 -11.889 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.989 -9.397 -13.211 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -5.119 -8.351 -13.825 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -4.295 -10.328 -13.588 1.00 0.00 O ATOM 0 H GLU A 79 -6.259 -5.489 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.268 -7.628 -12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.676 -7.754 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.518 -8.517 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.349 -10.403 -11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.796 -9.755 -12.080 1.00 0.00 H new