USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 LYS NZ :NH3+ 152:sc= 1.3 (180deg=1.09) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 60 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 88 MET CE :methyl -151:sc= 0 (180deg=-0.103) USER MOD Set 3.1: A 30 THR OG1 : rot 136:sc= 0.132 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 7 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.45) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.22 (180deg=1.01) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 117:sc= 1.28 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 0.914 (180deg=-0.657!) USER MOD Single : A 29 THR OG1 : rot -122:sc= -1.08 USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 0.538 (180deg=0.288) USER MOD Single : A 37 THR OG1 : rot 53:sc= 1.25 USER MOD Single : A 40 SER OG : rot 78:sc= 1.23 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.11) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc=-0.000967 (180deg=-0.171) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.48 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.15) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 89 N GLN A 7 12.889 -4.778 0.303 1.00 0.00 N ATOM 90 CA GLN A 7 13.506 -4.508 1.566 1.00 0.00 C ATOM 91 C GLN A 7 14.134 -5.806 2.004 1.00 0.00 C ATOM 92 O GLN A 7 14.180 -6.746 1.215 1.00 0.00 O ATOM 93 CB GLN A 7 12.479 -4.034 2.626 1.00 0.00 C ATOM 94 CG GLN A 7 11.855 -2.645 2.403 1.00 0.00 C ATOM 95 CD GLN A 7 10.962 -2.534 1.184 1.00 0.00 C ATOM 96 OE1 GLN A 7 11.412 -2.213 0.093 1.00 0.00 O ATOM 97 NE2 GLN A 7 9.691 -2.776 1.363 1.00 0.00 N ATOM 0 HA GLN A 7 14.236 -3.705 1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.673 -4.767 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.968 -4.036 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 7 11.274 -2.378 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.657 -1.912 2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.347 -3.042 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.042 -2.699 0.580 1.00 0.00 H new ATOM 106 N LEU A 8 14.610 -5.894 3.206 1.00 0.00 N ATOM 107 CA LEU A 8 15.163 -7.138 3.630 1.00 0.00 C ATOM 108 C LEU A 8 14.202 -7.870 4.522 1.00 0.00 C ATOM 109 O LEU A 8 13.630 -7.290 5.441 1.00 0.00 O ATOM 110 CB LEU A 8 16.569 -7.024 4.278 1.00 0.00 C ATOM 111 CG LEU A 8 16.776 -6.069 5.475 1.00 0.00 C ATOM 112 CD1 LEU A 8 18.084 -6.409 6.168 1.00 0.00 C ATOM 113 CD2 LEU A 8 16.852 -4.621 5.003 1.00 0.00 C ATOM 0 H LEU A 8 14.627 -5.141 3.894 1.00 0.00 H new ATOM 0 HA LEU A 8 15.318 -7.721 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.862 -8.023 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 8 17.267 -6.725 3.496 1.00 0.00 H new ATOM 0 HG LEU A 8 15.933 -6.186 6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 8 18.233 -5.737 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.050 -7.438 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.909 -6.296 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.998 -3.966 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.688 -4.507 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.924 -4.354 4.496 1.00 0.00 H new ATOM 125 N GLU A 9 14.002 -9.128 4.255 1.00 0.00 N ATOM 126 CA GLU A 9 13.144 -9.908 5.078 1.00 0.00 C ATOM 127 C GLU A 9 13.934 -10.531 6.181 1.00 0.00 C ATOM 128 O GLU A 9 15.066 -10.960 5.988 1.00 0.00 O ATOM 129 CB GLU A 9 12.395 -11.010 4.321 1.00 0.00 C ATOM 130 CG GLU A 9 11.279 -10.575 3.371 1.00 0.00 C ATOM 131 CD GLU A 9 11.705 -9.755 2.177 1.00 0.00 C ATOM 132 OE1 GLU A 9 12.507 -10.247 1.368 1.00 0.00 O ATOM 133 OE2 GLU A 9 11.152 -8.646 1.985 1.00 0.00 O ATOM 0 H GLU A 9 14.424 -9.629 3.473 1.00 0.00 H new ATOM 0 HA GLU A 9 12.392 -9.222 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.125 -11.579 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.966 -11.692 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.769 -11.468 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.549 -9.999 3.940 1.00 0.00 H new ATOM 140 N ILE A 10 13.358 -10.562 7.326 1.00 0.00 N ATOM 141 CA ILE A 10 13.989 -11.131 8.476 1.00 0.00 C ATOM 142 C ILE A 10 13.065 -12.131 9.111 1.00 0.00 C ATOM 143 O ILE A 10 11.848 -11.916 9.174 1.00 0.00 O ATOM 144 CB ILE A 10 14.350 -10.026 9.525 1.00 0.00 C ATOM 145 CG1 ILE A 10 15.324 -8.999 8.912 1.00 0.00 C ATOM 146 CG2 ILE A 10 14.926 -10.637 10.803 1.00 0.00 C ATOM 147 CD1 ILE A 10 15.670 -7.832 9.814 1.00 0.00 C ATOM 0 H ILE A 10 12.424 -10.191 7.501 1.00 0.00 H new ATOM 0 HA ILE A 10 14.909 -11.619 8.155 1.00 0.00 H new ATOM 0 HB ILE A 10 13.431 -9.507 9.799 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.245 -9.513 8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.888 -8.611 7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.166 -9.843 11.510 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.192 -11.309 11.248 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.831 -11.195 10.564 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.359 -7.165 9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.761 -7.288 10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.139 -8.203 10.725 1.00 0.00 H new ATOM 159 N LYS A 11 13.620 -13.224 9.527 1.00 0.00 N ATOM 160 CA LYS A 11 12.889 -14.177 10.295 1.00 0.00 C ATOM 161 C LYS A 11 13.560 -14.317 11.628 1.00 0.00 C ATOM 162 O LYS A 11 14.786 -14.124 11.744 1.00 0.00 O ATOM 163 CB LYS A 11 12.742 -15.554 9.635 1.00 0.00 C ATOM 164 CG LYS A 11 14.033 -16.297 9.318 1.00 0.00 C ATOM 165 CD LYS A 11 13.748 -17.785 9.100 1.00 0.00 C ATOM 166 CE LYS A 11 12.681 -18.029 8.040 1.00 0.00 C ATOM 167 NZ LYS A 11 12.300 -19.451 7.974 1.00 0.00 N ATOM 0 H LYS A 11 14.590 -13.480 9.344 1.00 0.00 H new ATOM 0 HA LYS A 11 11.872 -13.797 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.138 -16.183 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.183 -15.430 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.495 -15.874 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.743 -16.171 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.669 -18.288 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.428 -18.231 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.801 -17.426 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.052 -17.705 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.318 -19.532 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.932 -19.950 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.380 -19.876 8.920 1.00 0.00 H new ATOM 181 N PHE A 12 12.802 -14.640 12.618 1.00 0.00 N ATOM 182 CA PHE A 12 13.323 -14.740 13.947 1.00 0.00 C ATOM 183 C PHE A 12 13.416 -16.184 14.344 1.00 0.00 C ATOM 184 O PHE A 12 12.405 -16.872 14.396 1.00 0.00 O ATOM 185 CB PHE A 12 12.412 -13.989 14.907 1.00 0.00 C ATOM 186 CG PHE A 12 12.204 -12.560 14.518 1.00 0.00 C ATOM 187 CD1 PHE A 12 13.229 -11.642 14.646 1.00 0.00 C ATOM 188 CD2 PHE A 12 10.983 -12.136 14.026 1.00 0.00 C ATOM 189 CE1 PHE A 12 13.044 -10.327 14.286 1.00 0.00 C ATOM 190 CE2 PHE A 12 10.790 -10.822 13.667 1.00 0.00 C ATOM 191 CZ PHE A 12 11.821 -9.916 13.797 1.00 0.00 C ATOM 0 H PHE A 12 11.806 -14.843 12.535 1.00 0.00 H new ATOM 0 HA PHE A 12 14.319 -14.299 13.984 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.446 -14.492 14.951 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.838 -14.029 15.909 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.186 -11.960 15.033 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.173 -12.843 13.923 1.00 0.00 H new ATOM 0 HE1 PHE A 12 13.853 -9.619 14.386 1.00 0.00 H new ATOM 0 HE2 PHE A 12 9.833 -10.501 13.284 1.00 0.00 H new ATOM 0 HZ PHE A 12 11.671 -8.884 13.516 1.00 0.00 H new ATOM 201 N ARG A 13 14.608 -16.652 14.607 1.00 0.00 N ATOM 202 CA ARG A 13 14.793 -18.026 14.992 1.00 0.00 C ATOM 203 C ARG A 13 15.283 -18.135 16.413 1.00 0.00 C ATOM 204 O ARG A 13 16.288 -17.529 16.790 1.00 0.00 O ATOM 205 CB ARG A 13 15.709 -18.773 14.014 1.00 0.00 C ATOM 206 CG ARG A 13 15.956 -20.232 14.391 1.00 0.00 C ATOM 207 CD ARG A 13 16.679 -20.978 13.290 1.00 0.00 C ATOM 208 NE ARG A 13 15.832 -21.158 12.096 1.00 0.00 N ATOM 209 CZ ARG A 13 16.251 -21.087 10.833 1.00 0.00 C ATOM 210 NH1 ARG A 13 17.496 -20.713 10.548 1.00 0.00 N ATOM 211 NH2 ARG A 13 15.411 -21.386 9.860 1.00 0.00 N ATOM 0 H ARG A 13 15.465 -16.101 14.562 1.00 0.00 H new ATOM 0 HA ARG A 13 13.818 -18.512 14.946 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.269 -18.735 13.018 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.666 -18.255 13.960 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.544 -20.277 15.308 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.004 -20.721 14.598 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.582 -20.433 13.015 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.996 -21.953 13.660 1.00 0.00 H new ATOM 0 HE ARG A 13 14.843 -21.353 12.250 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.142 -20.476 11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.804 -20.663 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.455 -21.667 10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.717 -21.336 8.888 1.00 0.00 H new ATOM 225 N LEU A 14 14.564 -18.900 17.192 1.00 0.00 N ATOM 226 CA LEU A 14 14.866 -19.118 18.587 1.00 0.00 C ATOM 227 C LEU A 14 16.024 -20.089 18.730 1.00 0.00 C ATOM 228 O LEU A 14 16.416 -20.763 17.768 1.00 0.00 O ATOM 229 CB LEU A 14 13.652 -19.748 19.282 1.00 0.00 C ATOM 230 CG LEU A 14 12.333 -18.990 19.222 1.00 0.00 C ATOM 231 CD1 LEU A 14 11.249 -19.781 19.930 1.00 0.00 C ATOM 232 CD2 LEU A 14 12.484 -17.620 19.835 1.00 0.00 C ATOM 0 H LEU A 14 13.735 -19.400 16.870 1.00 0.00 H new ATOM 0 HA LEU A 14 15.120 -18.157 19.035 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.492 -20.735 18.849 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.906 -19.898 20.331 1.00 0.00 H new ATOM 0 HG LEU A 14 12.045 -18.863 18.178 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.308 -19.232 19.883 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.129 -20.749 19.444 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.530 -19.931 20.973 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.532 -17.092 19.784 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.789 -17.719 20.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.241 -17.058 19.288 1.00 0.00 H new ATOM 244 N THR A 15 16.540 -20.188 19.938 1.00 0.00 N ATOM 245 CA THR A 15 17.568 -21.165 20.279 1.00 0.00 C ATOM 246 C THR A 15 16.920 -22.566 20.324 1.00 0.00 C ATOM 247 O THR A 15 17.584 -23.601 20.305 1.00 0.00 O ATOM 248 CB THR A 15 18.195 -20.813 21.655 1.00 0.00 C ATOM 249 OG1 THR A 15 19.293 -21.675 21.955 1.00 0.00 O ATOM 250 CG2 THR A 15 17.164 -20.894 22.780 1.00 0.00 C ATOM 0 H THR A 15 16.261 -19.593 20.718 1.00 0.00 H new ATOM 0 HA THR A 15 18.360 -21.153 19.530 1.00 0.00 H new ATOM 0 HB THR A 15 18.555 -19.786 21.585 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.671 -21.432 22.826 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.639 -20.641 23.728 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.353 -20.193 22.582 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.763 -21.906 22.834 1.00 0.00 H new ATOM 258 N ASP A 16 15.609 -22.543 20.340 1.00 0.00 N ATOM 259 CA ASP A 16 14.748 -23.727 20.380 1.00 0.00 C ATOM 260 C ASP A 16 14.649 -24.372 18.984 1.00 0.00 C ATOM 261 O ASP A 16 14.119 -25.462 18.825 1.00 0.00 O ATOM 262 CB ASP A 16 13.349 -23.274 20.863 1.00 0.00 C ATOM 263 CG ASP A 16 12.301 -24.365 20.943 1.00 0.00 C ATOM 264 OD1 ASP A 16 12.203 -25.030 21.998 1.00 0.00 O ATOM 265 OD2 ASP A 16 11.528 -24.538 19.972 1.00 0.00 O ATOM 0 H ASP A 16 15.081 -21.671 20.325 1.00 0.00 H new ATOM 0 HA ASP A 16 15.163 -24.472 21.058 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.453 -22.822 21.849 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.987 -22.495 20.192 1.00 0.00 H new ATOM 270 N GLY A 17 15.183 -23.686 17.982 1.00 0.00 N ATOM 271 CA GLY A 17 15.171 -24.199 16.617 1.00 0.00 C ATOM 272 C GLY A 17 13.886 -23.872 15.896 1.00 0.00 C ATOM 273 O GLY A 17 13.683 -24.258 14.741 1.00 0.00 O ATOM 0 H GLY A 17 15.629 -22.775 18.088 1.00 0.00 H new ATOM 0 HA2 GLY A 17 16.012 -23.779 16.065 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.310 -25.280 16.636 1.00 0.00 H new ATOM 277 N SER A 18 13.035 -23.152 16.557 1.00 0.00 N ATOM 278 CA SER A 18 11.788 -22.744 15.993 1.00 0.00 C ATOM 279 C SER A 18 11.909 -21.312 15.507 1.00 0.00 C ATOM 280 O SER A 18 12.413 -20.449 16.231 1.00 0.00 O ATOM 281 CB SER A 18 10.696 -22.869 17.050 1.00 0.00 C ATOM 282 OG SER A 18 10.594 -24.219 17.510 1.00 0.00 O ATOM 0 H SER A 18 13.188 -22.828 17.512 1.00 0.00 H new ATOM 0 HA SER A 18 11.527 -23.379 15.147 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.917 -22.209 17.889 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.741 -22.548 16.634 1.00 0.00 H new ATOM 0 HG SER A 18 10.817 -24.257 18.464 1.00 0.00 H new ATOM 288 N ASP A 19 11.506 -21.064 14.287 1.00 0.00 N ATOM 289 CA ASP A 19 11.561 -19.749 13.744 1.00 0.00 C ATOM 290 C ASP A 19 10.204 -19.243 13.356 1.00 0.00 C ATOM 291 O ASP A 19 9.251 -20.011 13.238 1.00 0.00 O ATOM 292 CB ASP A 19 12.575 -19.616 12.594 1.00 0.00 C ATOM 293 CG ASP A 19 12.400 -20.584 11.450 1.00 0.00 C ATOM 294 OD1 ASP A 19 13.006 -21.669 11.502 1.00 0.00 O ATOM 295 OD2 ASP A 19 11.702 -20.267 10.472 1.00 0.00 O ATOM 0 H ASP A 19 11.134 -21.770 13.652 1.00 0.00 H new ATOM 0 HA ASP A 19 11.927 -19.108 14.546 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.517 -18.602 12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.578 -19.742 13.002 1.00 0.00 H new ATOM 300 N ILE A 20 10.125 -17.961 13.190 1.00 0.00 N ATOM 301 CA ILE A 20 8.907 -17.265 12.850 1.00 0.00 C ATOM 302 C ILE A 20 8.977 -16.840 11.392 1.00 0.00 C ATOM 303 O ILE A 20 10.057 -16.475 10.916 1.00 0.00 O ATOM 304 CB ILE A 20 8.733 -16.003 13.756 1.00 0.00 C ATOM 305 CG1 ILE A 20 8.708 -16.412 15.243 1.00 0.00 C ATOM 306 CG2 ILE A 20 7.467 -15.228 13.389 1.00 0.00 C ATOM 307 CD1 ILE A 20 8.588 -15.249 16.212 1.00 0.00 C ATOM 0 H ILE A 20 10.929 -17.341 13.289 1.00 0.00 H new ATOM 0 HA ILE A 20 8.055 -17.927 13.007 1.00 0.00 H new ATOM 0 HB ILE A 20 9.586 -15.345 13.588 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.872 -17.092 15.406 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.619 -16.966 15.470 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.374 -14.356 14.036 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.527 -14.904 12.350 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.596 -15.871 13.519 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.578 -15.627 17.234 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.437 -14.578 16.082 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.663 -14.706 16.016 1.00 0.00 H new ATOM 319 N GLY A 21 7.840 -16.936 10.689 1.00 0.00 N ATOM 320 CA GLY A 21 7.755 -16.569 9.281 1.00 0.00 C ATOM 321 C GLY A 21 8.341 -15.188 8.993 1.00 0.00 C ATOM 322 O GLY A 21 8.110 -14.238 9.761 1.00 0.00 O ATOM 0 H GLY A 21 6.961 -17.269 11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.281 -17.314 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.711 -16.588 8.968 1.00 0.00 H new ATOM 326 N PRO A 22 9.085 -15.051 7.887 1.00 0.00 N ATOM 327 CA PRO A 22 9.808 -13.826 7.556 1.00 0.00 C ATOM 328 C PRO A 22 8.916 -12.640 7.208 1.00 0.00 C ATOM 329 O PRO A 22 7.831 -12.785 6.619 1.00 0.00 O ATOM 330 CB PRO A 22 10.658 -14.219 6.354 1.00 0.00 C ATOM 331 CG PRO A 22 9.920 -15.346 5.723 1.00 0.00 C ATOM 332 CD PRO A 22 9.268 -16.090 6.849 1.00 0.00 C ATOM 0 HA PRO A 22 10.378 -13.479 8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.775 -13.385 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.659 -14.523 6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.177 -14.979 5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.597 -15.994 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.316 -16.526 6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.894 -16.908 7.205 1.00 0.00 H new ATOM 340 N LYS A 23 9.375 -11.481 7.580 1.00 0.00 N ATOM 341 CA LYS A 23 8.681 -10.246 7.308 1.00 0.00 C ATOM 342 C LYS A 23 9.650 -9.292 6.742 1.00 0.00 C ATOM 343 O LYS A 23 10.846 -9.481 6.875 1.00 0.00 O ATOM 344 CB LYS A 23 8.036 -9.661 8.568 1.00 0.00 C ATOM 345 CG LYS A 23 7.022 -10.584 9.163 1.00 0.00 C ATOM 346 CD LYS A 23 6.425 -10.081 10.471 1.00 0.00 C ATOM 347 CE LYS A 23 5.567 -8.837 10.276 1.00 0.00 C ATOM 348 NZ LYS A 23 4.924 -8.407 11.538 1.00 0.00 N ATOM 0 H LYS A 23 10.252 -11.360 8.087 1.00 0.00 H new ATOM 0 HA LYS A 23 7.873 -10.441 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.810 -9.450 9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.561 -8.711 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.218 -10.738 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.486 -11.555 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.820 -10.870 10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.229 -9.859 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.185 -8.027 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.800 -9.038 9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.945 -8.113 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.922 -9.198 12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.453 -7.608 11.942 1.00 0.00 H new ATOM 362 N ALA A 24 9.154 -8.292 6.149 1.00 0.00 N ATOM 363 CA ALA A 24 9.988 -7.316 5.482 1.00 0.00 C ATOM 364 C ALA A 24 10.302 -6.159 6.396 1.00 0.00 C ATOM 365 O ALA A 24 9.390 -5.511 6.953 1.00 0.00 O ATOM 366 CB ALA A 24 9.335 -6.826 4.206 1.00 0.00 C ATOM 0 H ALA A 24 8.154 -8.099 6.095 1.00 0.00 H new ATOM 0 HA ALA A 24 10.926 -7.805 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.982 -6.093 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.175 -7.668 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.377 -6.364 4.442 1.00 0.00 H new ATOM 372 N PHE A 25 11.570 -5.897 6.560 1.00 0.00 N ATOM 373 CA PHE A 25 12.030 -4.829 7.394 1.00 0.00 C ATOM 374 C PHE A 25 12.952 -3.975 6.586 1.00 0.00 C ATOM 375 O PHE A 25 13.953 -4.458 6.087 1.00 0.00 O ATOM 376 CB PHE A 25 12.825 -5.361 8.589 1.00 0.00 C ATOM 377 CG PHE A 25 12.106 -6.340 9.451 1.00 0.00 C ATOM 378 CD1 PHE A 25 12.053 -7.660 9.087 1.00 0.00 C ATOM 379 CD2 PHE A 25 11.510 -5.953 10.631 1.00 0.00 C ATOM 380 CE1 PHE A 25 11.429 -8.585 9.869 1.00 0.00 C ATOM 381 CE2 PHE A 25 10.873 -6.883 11.420 1.00 0.00 C ATOM 382 CZ PHE A 25 10.843 -8.208 11.023 1.00 0.00 C ATOM 0 H PHE A 25 12.318 -6.427 6.112 1.00 0.00 H new ATOM 0 HA PHE A 25 11.165 -4.275 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.736 -5.830 8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.131 -4.516 9.206 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.515 -7.973 8.162 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.543 -4.918 10.937 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.404 -9.621 9.564 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.400 -6.581 12.343 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.348 -8.943 11.640 1.00 0.00 H new ATOM 392 N PRO A 26 12.613 -2.730 6.378 1.00 0.00 N ATOM 393 CA PRO A 26 13.508 -1.792 5.724 1.00 0.00 C ATOM 394 C PRO A 26 14.791 -1.587 6.531 1.00 0.00 C ATOM 395 O PRO A 26 14.781 -1.651 7.768 1.00 0.00 O ATOM 396 CB PRO A 26 12.720 -0.493 5.704 1.00 0.00 C ATOM 397 CG PRO A 26 11.302 -0.911 5.821 1.00 0.00 C ATOM 398 CD PRO A 26 11.316 -2.124 6.699 1.00 0.00 C ATOM 0 HA PRO A 26 13.811 -2.143 4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.010 0.159 6.528 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.895 0.062 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.693 -0.118 6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.878 -1.139 4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.240 -1.862 7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.487 -2.796 6.477 1.00 0.00 H new ATOM 406 N ASP A 27 15.876 -1.328 5.838 1.00 0.00 N ATOM 407 CA ASP A 27 17.167 -1.088 6.467 1.00 0.00 C ATOM 408 C ASP A 27 17.132 0.141 7.358 1.00 0.00 C ATOM 409 O ASP A 27 17.837 0.216 8.338 1.00 0.00 O ATOM 410 CB ASP A 27 18.306 -0.994 5.418 1.00 0.00 C ATOM 411 CG ASP A 27 18.131 0.106 4.374 1.00 0.00 C ATOM 412 OD1 ASP A 27 17.354 -0.092 3.424 1.00 0.00 O ATOM 413 OD2 ASP A 27 18.775 1.170 4.481 1.00 0.00 O ATOM 0 H ASP A 27 15.895 -1.276 4.819 1.00 0.00 H new ATOM 0 HA ASP A 27 17.381 -1.947 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 27 19.249 -0.832 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 27 18.387 -1.952 4.905 1.00 0.00 H new ATOM 418 N ALA A 28 16.272 1.069 7.040 1.00 0.00 N ATOM 419 CA ALA A 28 16.149 2.287 7.826 1.00 0.00 C ATOM 420 C ALA A 28 15.267 2.096 9.084 1.00 0.00 C ATOM 421 O ALA A 28 15.093 3.034 9.871 1.00 0.00 O ATOM 422 CB ALA A 28 15.612 3.419 6.965 1.00 0.00 C ATOM 0 H ALA A 28 15.640 1.014 6.241 1.00 0.00 H new ATOM 0 HA ALA A 28 17.148 2.544 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.525 4.324 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.294 3.599 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 28 14.631 3.146 6.576 1.00 0.00 H new ATOM 428 N THR A 29 14.725 0.901 9.271 1.00 0.00 N ATOM 429 CA THR A 29 13.859 0.613 10.414 1.00 0.00 C ATOM 430 C THR A 29 14.670 0.373 11.709 1.00 0.00 C ATOM 431 O THR A 29 15.774 -0.173 11.673 1.00 0.00 O ATOM 432 CB THR A 29 12.940 -0.581 10.091 1.00 0.00 C ATOM 433 OG1 THR A 29 12.185 -0.241 8.937 1.00 0.00 O ATOM 434 CG2 THR A 29 11.979 -0.895 11.230 1.00 0.00 C ATOM 0 H THR A 29 14.869 0.109 8.644 1.00 0.00 H new ATOM 0 HA THR A 29 13.237 1.489 10.598 1.00 0.00 H new ATOM 0 HB THR A 29 13.559 -1.464 9.933 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.229 -0.293 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.353 -1.744 10.954 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.547 -1.139 12.128 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.349 -0.027 11.424 1.00 0.00 H new ATOM 442 N THR A 30 14.118 0.817 12.827 1.00 0.00 N ATOM 443 CA THR A 30 14.739 0.710 14.126 1.00 0.00 C ATOM 444 C THR A 30 14.738 -0.730 14.663 1.00 0.00 C ATOM 445 O THR A 30 13.849 -1.536 14.335 1.00 0.00 O ATOM 446 CB THR A 30 14.012 1.628 15.131 1.00 0.00 C ATOM 447 OG1 THR A 30 12.601 1.339 15.117 1.00 0.00 O ATOM 448 CG2 THR A 30 14.236 3.092 14.790 1.00 0.00 C ATOM 0 H THR A 30 13.205 1.271 12.851 1.00 0.00 H new ATOM 0 HA THR A 30 15.778 1.019 14.010 1.00 0.00 H new ATOM 0 HB THR A 30 14.417 1.440 16.125 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.265 1.304 16.037 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.713 3.718 15.513 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.303 3.314 14.822 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.853 3.295 13.790 1.00 0.00 H new ATOM 456 N VAL A 31 15.734 -1.048 15.484 1.00 0.00 N ATOM 457 CA VAL A 31 15.819 -2.340 16.146 1.00 0.00 C ATOM 458 C VAL A 31 14.710 -2.461 17.188 1.00 0.00 C ATOM 459 O VAL A 31 14.254 -3.560 17.507 1.00 0.00 O ATOM 460 CB VAL A 31 17.211 -2.568 16.797 1.00 0.00 C ATOM 461 CG1 VAL A 31 17.242 -3.860 17.605 1.00 0.00 C ATOM 462 CG2 VAL A 31 18.288 -2.614 15.719 1.00 0.00 C ATOM 0 H VAL A 31 16.503 -0.416 15.707 1.00 0.00 H new ATOM 0 HA VAL A 31 15.689 -3.115 15.390 1.00 0.00 H new ATOM 0 HB VAL A 31 17.403 -1.736 17.475 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.230 -3.989 18.047 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.494 -3.812 18.396 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.024 -4.704 16.950 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.261 -2.774 16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 31 18.077 -3.430 15.028 1.00 0.00 H new ATOM 0 HG23 VAL A 31 18.297 -1.670 15.173 1.00 0.00 H new ATOM 472 N SER A 32 14.270 -1.333 17.708 1.00 0.00 N ATOM 473 CA SER A 32 13.152 -1.315 18.601 1.00 0.00 C ATOM 474 C SER A 32 11.914 -1.874 17.898 1.00 0.00 C ATOM 475 O SER A 32 11.279 -2.784 18.404 1.00 0.00 O ATOM 476 CB SER A 32 12.942 0.095 19.154 1.00 0.00 C ATOM 477 OG SER A 32 13.011 1.057 18.112 1.00 0.00 O ATOM 0 H SER A 32 14.679 -0.418 17.520 1.00 0.00 H new ATOM 0 HA SER A 32 13.348 -1.960 19.457 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.973 0.156 19.649 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.699 0.312 19.907 1.00 0.00 H new ATOM 0 HG SER A 32 12.873 1.953 18.484 1.00 0.00 H new ATOM 483 N ALA A 33 11.636 -1.379 16.690 1.00 0.00 N ATOM 484 CA ALA A 33 10.504 -1.867 15.904 1.00 0.00 C ATOM 485 C ALA A 33 10.719 -3.328 15.510 1.00 0.00 C ATOM 486 O ALA A 33 9.765 -4.099 15.393 1.00 0.00 O ATOM 487 CB ALA A 33 10.304 -1.010 14.668 1.00 0.00 C ATOM 0 H ALA A 33 12.178 -0.643 16.237 1.00 0.00 H new ATOM 0 HA ALA A 33 9.605 -1.801 16.518 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.457 -1.389 14.096 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.108 0.020 14.967 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.203 -1.045 14.052 1.00 0.00 H new ATOM 493 N LEU A 34 11.979 -3.698 15.327 1.00 0.00 N ATOM 494 CA LEU A 34 12.373 -5.021 15.004 1.00 0.00 C ATOM 495 C LEU A 34 12.012 -5.968 16.160 1.00 0.00 C ATOM 496 O LEU A 34 11.404 -7.019 15.946 1.00 0.00 O ATOM 497 CB LEU A 34 13.883 -5.003 14.741 1.00 0.00 C ATOM 498 CG LEU A 34 14.551 -6.322 14.498 1.00 0.00 C ATOM 499 CD1 LEU A 34 14.002 -7.002 13.256 1.00 0.00 C ATOM 500 CD2 LEU A 34 16.056 -6.162 14.408 1.00 0.00 C ATOM 0 H LEU A 34 12.763 -3.050 15.406 1.00 0.00 H new ATOM 0 HA LEU A 34 11.854 -5.382 14.116 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.068 -4.366 13.876 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.369 -4.530 15.594 1.00 0.00 H new ATOM 0 HG LEU A 34 14.330 -6.964 15.351 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.509 -7.956 13.109 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.933 -7.174 13.378 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.170 -6.365 12.388 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.515 -7.135 14.231 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.302 -5.490 13.586 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.434 -5.746 15.342 1.00 0.00 H new ATOM 512 N LYS A 35 12.355 -5.569 17.382 1.00 0.00 N ATOM 513 CA LYS A 35 12.044 -6.368 18.554 1.00 0.00 C ATOM 514 C LYS A 35 10.552 -6.373 18.808 1.00 0.00 C ATOM 515 O LYS A 35 9.976 -7.411 19.103 1.00 0.00 O ATOM 516 CB LYS A 35 12.790 -5.883 19.792 1.00 0.00 C ATOM 517 CG LYS A 35 12.549 -6.781 21.009 1.00 0.00 C ATOM 518 CD LYS A 35 13.354 -6.378 22.235 1.00 0.00 C ATOM 519 CE LYS A 35 14.850 -6.547 22.028 1.00 0.00 C ATOM 520 NZ LYS A 35 15.604 -6.308 23.282 1.00 0.00 N ATOM 0 H LYS A 35 12.847 -4.698 17.582 1.00 0.00 H new ATOM 0 HA LYS A 35 12.376 -7.386 18.351 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.858 -5.845 19.578 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.476 -4.866 20.027 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.488 -6.762 21.259 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.796 -7.809 20.745 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.139 -5.338 22.481 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.038 -6.979 23.087 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.056 -7.554 21.665 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.192 -5.854 21.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.593 -6.079 23.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.175 -5.514 23.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.574 -7.163 23.873 1.00 0.00 H new ATOM 534 N GLU A 36 9.933 -5.211 18.663 1.00 0.00 N ATOM 535 CA GLU A 36 8.483 -5.069 18.801 1.00 0.00 C ATOM 536 C GLU A 36 7.752 -6.010 17.839 1.00 0.00 C ATOM 537 O GLU A 36 6.655 -6.509 18.144 1.00 0.00 O ATOM 538 CB GLU A 36 8.052 -3.624 18.554 1.00 0.00 C ATOM 539 CG GLU A 36 8.537 -2.614 19.591 1.00 0.00 C ATOM 540 CD GLU A 36 8.008 -2.880 20.979 1.00 0.00 C ATOM 541 OE1 GLU A 36 6.794 -2.663 21.214 1.00 0.00 O ATOM 542 OE2 GLU A 36 8.786 -3.261 21.870 1.00 0.00 O ATOM 0 H GLU A 36 10.416 -4.339 18.447 1.00 0.00 H new ATOM 0 HA GLU A 36 8.216 -5.340 19.822 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.415 -3.316 17.573 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.963 -3.588 18.517 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.627 -2.626 19.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.236 -1.613 19.281 1.00 0.00 H new ATOM 549 N THR A 37 8.367 -6.263 16.689 1.00 0.00 N ATOM 550 CA THR A 37 7.834 -7.200 15.736 1.00 0.00 C ATOM 551 C THR A 37 7.854 -8.620 16.324 1.00 0.00 C ATOM 552 O THR A 37 6.867 -9.331 16.239 1.00 0.00 O ATOM 553 CB THR A 37 8.608 -7.156 14.396 1.00 0.00 C ATOM 554 OG1 THR A 37 8.499 -5.841 13.816 1.00 0.00 O ATOM 555 CG2 THR A 37 8.058 -8.181 13.415 1.00 0.00 C ATOM 0 H THR A 37 9.241 -5.823 16.403 1.00 0.00 H new ATOM 0 HA THR A 37 6.803 -6.915 15.527 1.00 0.00 H new ATOM 0 HB THR A 37 9.653 -7.391 14.598 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.771 -5.169 14.476 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.619 -8.129 12.482 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.153 -9.180 13.841 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.007 -7.969 13.218 1.00 0.00 H new ATOM 563 N VAL A 38 8.968 -8.996 16.965 1.00 0.00 N ATOM 564 CA VAL A 38 9.104 -10.323 17.597 1.00 0.00 C ATOM 565 C VAL A 38 7.996 -10.499 18.622 1.00 0.00 C ATOM 566 O VAL A 38 7.300 -11.505 18.640 1.00 0.00 O ATOM 567 CB VAL A 38 10.464 -10.477 18.346 1.00 0.00 C ATOM 568 CG1 VAL A 38 10.629 -11.884 18.914 1.00 0.00 C ATOM 569 CG2 VAL A 38 11.633 -10.119 17.457 1.00 0.00 C ATOM 0 H VAL A 38 9.792 -8.402 17.062 1.00 0.00 H new ATOM 0 HA VAL A 38 9.049 -11.070 16.805 1.00 0.00 H new ATOM 0 HB VAL A 38 10.452 -9.775 19.180 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.586 -11.958 19.430 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.822 -12.090 19.617 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.597 -12.610 18.102 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.563 -10.238 18.013 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.643 -10.776 16.587 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.537 -9.084 17.129 1.00 0.00 H new ATOM 579 N ILE A 39 7.833 -9.470 19.437 1.00 0.00 N ATOM 580 CA ILE A 39 6.838 -9.426 20.503 1.00 0.00 C ATOM 581 C ILE A 39 5.431 -9.621 19.928 1.00 0.00 C ATOM 582 O ILE A 39 4.598 -10.318 20.504 1.00 0.00 O ATOM 583 CB ILE A 39 6.901 -8.053 21.231 1.00 0.00 C ATOM 584 CG1 ILE A 39 8.342 -7.770 21.676 1.00 0.00 C ATOM 585 CG2 ILE A 39 5.954 -8.032 22.439 1.00 0.00 C ATOM 586 CD1 ILE A 39 8.532 -6.466 22.397 1.00 0.00 C ATOM 0 H ILE A 39 8.399 -8.623 19.377 1.00 0.00 H new ATOM 0 HA ILE A 39 7.054 -10.228 21.208 1.00 0.00 H new ATOM 0 HB ILE A 39 6.581 -7.274 20.539 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.673 -8.580 22.326 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.988 -7.781 20.798 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.015 -7.062 22.932 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.932 -8.204 22.103 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.242 -8.815 23.141 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.580 -6.352 22.673 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.237 -5.644 21.745 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.917 -6.455 23.297 1.00 0.00 H new ATOM 598 N SER A 40 5.194 -9.016 18.786 1.00 0.00 N ATOM 599 CA SER A 40 3.912 -9.086 18.131 1.00 0.00 C ATOM 600 C SER A 40 3.682 -10.448 17.452 1.00 0.00 C ATOM 601 O SER A 40 2.566 -10.957 17.441 1.00 0.00 O ATOM 602 CB SER A 40 3.790 -7.950 17.126 1.00 0.00 C ATOM 603 OG SER A 40 3.929 -6.679 17.774 1.00 0.00 O ATOM 0 H SER A 40 5.888 -8.461 18.286 1.00 0.00 H new ATOM 0 HA SER A 40 3.137 -8.981 18.891 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.554 -8.056 16.356 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.823 -8.004 16.625 1.00 0.00 H new ATOM 0 HG SER A 40 4.876 -6.508 17.960 1.00 0.00 H new ATOM 609 N GLU A 41 4.741 -11.036 16.902 1.00 0.00 N ATOM 610 CA GLU A 41 4.653 -12.303 16.231 1.00 0.00 C ATOM 611 C GLU A 41 4.631 -13.474 17.229 1.00 0.00 C ATOM 612 O GLU A 41 4.352 -14.622 16.850 1.00 0.00 O ATOM 613 CB GLU A 41 5.828 -12.466 15.286 1.00 0.00 C ATOM 614 CG GLU A 41 5.917 -11.454 14.138 1.00 0.00 C ATOM 615 CD GLU A 41 4.714 -11.453 13.214 1.00 0.00 C ATOM 616 OE1 GLU A 41 4.480 -12.461 12.513 1.00 0.00 O ATOM 617 OE2 GLU A 41 3.996 -10.438 13.156 1.00 0.00 O ATOM 0 H GLU A 41 5.679 -10.636 16.916 1.00 0.00 H new ATOM 0 HA GLU A 41 3.718 -12.318 15.671 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.747 -12.405 15.868 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.787 -13.468 14.858 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.039 -10.456 14.558 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.811 -11.665 13.551 1.00 0.00 H new ATOM 624 N TRP A 42 4.949 -13.190 18.480 1.00 0.00 N ATOM 625 CA TRP A 42 4.936 -14.200 19.525 1.00 0.00 C ATOM 626 C TRP A 42 3.478 -14.525 19.805 1.00 0.00 C ATOM 627 O TRP A 42 2.653 -13.603 19.898 1.00 0.00 O ATOM 628 CB TRP A 42 5.620 -13.644 20.801 1.00 0.00 C ATOM 629 CG TRP A 42 6.138 -14.690 21.780 1.00 0.00 C ATOM 630 CD1 TRP A 42 5.697 -14.977 23.059 1.00 0.00 C ATOM 631 CD2 TRP A 42 7.210 -15.587 21.526 1.00 0.00 C ATOM 632 NE1 TRP A 42 6.491 -15.958 23.626 1.00 0.00 N ATOM 633 CE2 TRP A 42 7.411 -16.365 22.686 1.00 0.00 C ATOM 634 CE3 TRP A 42 8.029 -15.801 20.420 1.00 0.00 C ATOM 635 CZ2 TRP A 42 8.403 -17.337 22.757 1.00 0.00 C ATOM 636 CZ3 TRP A 42 9.001 -16.759 20.492 1.00 0.00 C ATOM 637 CH2 TRP A 42 9.183 -17.520 21.650 1.00 0.00 C ATOM 0 H TRP A 42 5.222 -12.260 18.799 1.00 0.00 H new ATOM 0 HA TRP A 42 5.479 -15.094 19.218 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.454 -13.012 20.498 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.909 -13.004 21.323 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.856 -14.504 23.544 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.409 -16.318 24.577 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.898 -15.219 19.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.551 -17.924 23.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 9.640 -16.931 19.639 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.959 -18.271 21.670 1.00 0.00 H new ATOM 648 N PRO A 43 3.116 -15.813 19.887 1.00 0.00 N ATOM 649 CA PRO A 43 1.733 -16.229 20.133 1.00 0.00 C ATOM 650 C PRO A 43 1.121 -15.508 21.340 1.00 0.00 C ATOM 651 O PRO A 43 1.622 -15.602 22.468 1.00 0.00 O ATOM 652 CB PRO A 43 1.856 -17.714 20.402 1.00 0.00 C ATOM 653 CG PRO A 43 3.072 -18.130 19.658 1.00 0.00 C ATOM 654 CD PRO A 43 4.018 -16.970 19.737 1.00 0.00 C ATOM 0 HA PRO A 43 1.076 -15.991 19.297 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.955 -17.917 21.468 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.975 -18.254 20.055 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.513 -19.024 20.099 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.833 -18.370 18.622 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.699 -17.062 20.583 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.632 -16.889 18.840 1.00 0.00 H new ATOM 662 N ARG A 44 0.050 -14.791 21.082 1.00 0.00 N ATOM 663 CA ARG A 44 -0.616 -13.957 22.072 1.00 0.00 C ATOM 664 C ARG A 44 -1.169 -14.787 23.227 1.00 0.00 C ATOM 665 O ARG A 44 -1.041 -14.412 24.390 1.00 0.00 O ATOM 666 CB ARG A 44 -1.727 -13.164 21.386 1.00 0.00 C ATOM 667 CG ARG A 44 -2.494 -12.202 22.269 1.00 0.00 C ATOM 668 CD ARG A 44 -3.606 -11.562 21.472 1.00 0.00 C ATOM 669 NE ARG A 44 -4.416 -10.634 22.254 1.00 0.00 N ATOM 670 CZ ARG A 44 -5.632 -10.217 21.894 1.00 0.00 C ATOM 671 NH1 ARG A 44 -6.205 -10.703 20.797 1.00 0.00 N ATOM 672 NH2 ARG A 44 -6.274 -9.325 22.637 1.00 0.00 N ATOM 0 H ARG A 44 -0.394 -14.767 20.164 1.00 0.00 H new ATOM 0 HA ARG A 44 0.112 -13.269 22.501 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.289 -12.601 20.562 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.434 -13.869 20.950 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.906 -12.731 23.128 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.824 -11.436 22.658 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.176 -11.031 20.623 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.250 -12.343 21.067 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.029 -10.282 23.130 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.715 -11.395 20.230 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.134 -10.384 20.523 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.838 -8.958 23.483 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.203 -9.006 22.362 1.00 0.00 H new ATOM 686 N GLU A 45 -1.745 -15.923 22.891 1.00 0.00 N ATOM 687 CA GLU A 45 -2.355 -16.833 23.874 1.00 0.00 C ATOM 688 C GLU A 45 -1.310 -17.415 24.831 1.00 0.00 C ATOM 689 O GLU A 45 -1.630 -17.784 25.973 1.00 0.00 O ATOM 690 CB GLU A 45 -3.095 -17.975 23.167 1.00 0.00 C ATOM 691 CG GLU A 45 -3.775 -18.944 24.123 1.00 0.00 C ATOM 692 CD GLU A 45 -4.456 -20.083 23.432 1.00 0.00 C ATOM 693 OE1 GLU A 45 -5.647 -19.949 23.101 1.00 0.00 O ATOM 694 OE2 GLU A 45 -3.817 -21.141 23.236 1.00 0.00 O ATOM 0 H GLU A 45 -1.810 -16.254 21.928 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.065 -16.247 24.457 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.844 -17.552 22.498 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.388 -18.526 22.547 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.032 -19.341 24.815 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.508 -18.400 24.719 1.00 0.00 H new ATOM 701 N LYS A 46 -0.071 -17.481 24.371 1.00 0.00 N ATOM 702 CA LYS A 46 0.998 -18.027 25.127 1.00 0.00 C ATOM 703 C LYS A 46 1.252 -17.298 26.422 1.00 0.00 C ATOM 704 O LYS A 46 0.778 -16.164 26.642 1.00 0.00 O ATOM 705 CB LYS A 46 2.266 -18.127 24.285 1.00 0.00 C ATOM 706 CG LYS A 46 2.293 -19.303 23.316 1.00 0.00 C ATOM 707 CD LYS A 46 2.268 -20.626 24.054 1.00 0.00 C ATOM 708 CE LYS A 46 2.289 -21.810 23.100 1.00 0.00 C ATOM 709 NZ LYS A 46 2.192 -23.097 23.823 1.00 0.00 N ATOM 0 H LYS A 46 0.204 -17.147 23.447 1.00 0.00 H new ATOM 0 HA LYS A 46 0.689 -19.033 25.410 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.384 -17.203 23.718 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.124 -18.203 24.952 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.437 -19.243 22.644 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.188 -19.246 22.697 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.126 -20.684 24.723 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.375 -20.677 24.676 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.461 -21.725 22.396 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.208 -21.790 22.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.209 -23.881 23.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.996 -23.189 24.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.303 -23.127 24.361 1.00 0.00 H new ATOM 723 N GLU A 47 2.011 -17.963 27.257 1.00 0.00 N ATOM 724 CA GLU A 47 2.372 -17.524 28.582 1.00 0.00 C ATOM 725 C GLU A 47 2.921 -16.119 28.612 1.00 0.00 C ATOM 726 O GLU A 47 3.375 -15.551 27.580 1.00 0.00 O ATOM 727 CB GLU A 47 3.452 -18.439 29.129 1.00 0.00 C ATOM 728 CG GLU A 47 3.061 -19.884 29.266 1.00 0.00 C ATOM 729 CD GLU A 47 4.208 -20.704 29.763 1.00 0.00 C ATOM 730 OE1 GLU A 47 4.575 -20.559 30.928 1.00 0.00 O ATOM 731 OE2 GLU A 47 4.779 -21.488 28.983 1.00 0.00 O ATOM 0 H GLU A 47 2.414 -18.870 27.019 1.00 0.00 H new ATOM 0 HA GLU A 47 1.460 -17.550 29.178 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.323 -18.376 28.477 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.758 -18.068 30.107 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.220 -19.973 29.954 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.726 -20.267 28.302 1.00 0.00 H new ATOM 738 N ASN A 48 2.918 -15.563 29.785 1.00 0.00 N ATOM 739 CA ASN A 48 3.519 -14.319 30.033 1.00 0.00 C ATOM 740 C ASN A 48 4.978 -14.573 30.232 1.00 0.00 C ATOM 741 O ASN A 48 5.496 -14.607 31.350 1.00 0.00 O ATOM 742 CB ASN A 48 2.899 -13.585 31.219 1.00 0.00 C ATOM 743 CG ASN A 48 1.439 -13.245 31.004 1.00 0.00 C ATOM 744 OD1 ASN A 48 0.993 -13.032 29.874 1.00 0.00 O ATOM 745 ND2 ASN A 48 0.688 -13.223 32.055 1.00 0.00 N ATOM 0 H ASN A 48 2.483 -15.984 30.606 1.00 0.00 H new ATOM 0 HA ASN A 48 3.355 -13.654 29.185 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.995 -14.202 32.112 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.457 -12.667 31.404 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.309 -13.025 31.966 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.092 -13.404 32.974 1.00 0.00 H new ATOM 752 N GLY A 49 5.577 -14.905 29.134 1.00 0.00 N ATOM 753 CA GLY A 49 6.943 -15.260 29.076 1.00 0.00 C ATOM 754 C GLY A 49 7.741 -14.376 28.167 1.00 0.00 C ATOM 755 O GLY A 49 7.797 -13.168 28.378 1.00 0.00 O ATOM 0 H GLY A 49 5.107 -14.935 28.229 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.367 -15.217 30.079 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.030 -16.292 28.738 1.00 0.00 H new ATOM 759 N PRO A 50 8.357 -14.949 27.130 1.00 0.00 N ATOM 760 CA PRO A 50 9.236 -14.218 26.185 1.00 0.00 C ATOM 761 C PRO A 50 8.512 -13.264 25.231 1.00 0.00 C ATOM 762 O PRO A 50 8.733 -13.308 24.026 1.00 0.00 O ATOM 763 CB PRO A 50 9.880 -15.345 25.376 1.00 0.00 C ATOM 764 CG PRO A 50 9.605 -16.593 26.130 1.00 0.00 C ATOM 765 CD PRO A 50 8.302 -16.379 26.793 1.00 0.00 C ATOM 0 HA PRO A 50 9.922 -13.572 26.733 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.460 -15.395 24.371 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.952 -15.183 25.265 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.568 -17.454 25.463 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.389 -16.790 26.861 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.466 -16.610 26.133 1.00 0.00 H new ATOM 0 HD3 PRO A 50 8.189 -17.002 27.680 1.00 0.00 H new ATOM 773 N LYS A 51 7.702 -12.391 25.756 1.00 0.00 N ATOM 774 CA LYS A 51 7.053 -11.428 24.899 1.00 0.00 C ATOM 775 C LYS A 51 7.777 -10.115 24.866 1.00 0.00 C ATOM 776 O LYS A 51 8.334 -9.751 23.863 1.00 0.00 O ATOM 777 CB LYS A 51 5.571 -11.166 25.213 1.00 0.00 C ATOM 778 CG LYS A 51 4.636 -12.325 24.982 1.00 0.00 C ATOM 779 CD LYS A 51 3.205 -11.822 24.890 1.00 0.00 C ATOM 780 CE LYS A 51 2.185 -12.943 24.713 1.00 0.00 C ATOM 781 NZ LYS A 51 1.994 -13.733 25.949 1.00 0.00 N ATOM 0 H LYS A 51 7.475 -12.321 26.748 1.00 0.00 H new ATOM 0 HA LYS A 51 7.093 -11.906 23.920 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.489 -10.860 26.256 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.234 -10.325 24.607 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.908 -12.846 24.064 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.727 -13.045 25.796 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.965 -11.260 25.793 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.123 -11.129 24.052 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.230 -12.516 24.407 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.511 -13.604 23.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.344 -14.523 25.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.911 -14.108 26.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.593 -13.125 26.691 1.00 0.00 H new ATOM 795 N THR A 52 7.804 -9.430 25.981 1.00 0.00 N ATOM 796 CA THR A 52 8.250 -8.065 26.002 1.00 0.00 C ATOM 797 C THR A 52 9.779 -7.870 25.945 1.00 0.00 C ATOM 798 O THR A 52 10.554 -8.814 26.094 1.00 0.00 O ATOM 799 CB THR A 52 7.605 -7.307 27.167 1.00 0.00 C ATOM 800 OG1 THR A 52 7.780 -8.057 28.382 1.00 0.00 O ATOM 801 CG2 THR A 52 6.115 -7.099 26.912 1.00 0.00 C ATOM 0 H THR A 52 7.521 -9.799 26.889 1.00 0.00 H new ATOM 0 HA THR A 52 7.906 -7.629 25.064 1.00 0.00 H new ATOM 0 HB THR A 52 8.085 -6.333 27.259 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.369 -7.572 29.128 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.674 -6.559 27.750 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.979 -6.522 25.997 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.625 -8.067 26.806 1.00 0.00 H new ATOM 809 N VAL A 53 10.170 -6.605 25.764 1.00 0.00 N ATOM 810 CA VAL A 53 11.546 -6.156 25.494 1.00 0.00 C ATOM 811 C VAL A 53 12.620 -6.755 26.417 1.00 0.00 C ATOM 812 O VAL A 53 13.697 -7.136 25.947 1.00 0.00 O ATOM 813 CB VAL A 53 11.636 -4.583 25.489 1.00 0.00 C ATOM 814 CG1 VAL A 53 11.147 -3.989 26.802 1.00 0.00 C ATOM 815 CG2 VAL A 53 13.051 -4.096 25.188 1.00 0.00 C ATOM 0 H VAL A 53 9.509 -5.829 25.803 1.00 0.00 H new ATOM 0 HA VAL A 53 11.774 -6.543 24.501 1.00 0.00 H new ATOM 0 HB VAL A 53 10.980 -4.238 24.690 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.224 -2.903 26.761 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.107 -4.273 26.965 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.759 -4.365 27.622 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.070 -3.006 25.194 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.735 -4.475 25.947 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.360 -4.459 24.208 1.00 0.00 H new ATOM 825 N LYS A 54 12.335 -6.849 27.695 1.00 0.00 N ATOM 826 CA LYS A 54 13.322 -7.338 28.648 1.00 0.00 C ATOM 827 C LYS A 54 13.454 -8.859 28.605 1.00 0.00 C ATOM 828 O LYS A 54 14.438 -9.410 29.076 1.00 0.00 O ATOM 829 CB LYS A 54 12.987 -6.882 30.077 1.00 0.00 C ATOM 830 CG LYS A 54 12.860 -5.371 30.257 1.00 0.00 C ATOM 831 CD LYS A 54 14.133 -4.625 29.885 1.00 0.00 C ATOM 832 CE LYS A 54 13.937 -3.125 30.049 1.00 0.00 C ATOM 833 NZ LYS A 54 15.141 -2.352 29.677 1.00 0.00 N ATOM 0 H LYS A 54 11.435 -6.597 28.104 1.00 0.00 H new ATOM 0 HA LYS A 54 14.280 -6.908 28.355 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.051 -7.349 30.382 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.761 -7.250 30.751 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.037 -5.004 29.644 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.606 -5.153 31.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.956 -4.961 30.515 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.407 -4.852 28.855 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.098 -2.802 29.433 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.675 -2.907 31.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.956 -1.337 29.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.938 -2.638 30.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.378 -2.536 28.681 1.00 0.00 H new ATOM 847 N GLU A 55 12.489 -9.531 28.022 1.00 0.00 N ATOM 848 CA GLU A 55 12.480 -10.986 28.061 1.00 0.00 C ATOM 849 C GLU A 55 13.119 -11.574 26.793 1.00 0.00 C ATOM 850 O GLU A 55 13.390 -12.786 26.711 1.00 0.00 O ATOM 851 CB GLU A 55 11.038 -11.501 28.194 1.00 0.00 C ATOM 852 CG GLU A 55 10.200 -10.809 29.279 1.00 0.00 C ATOM 853 CD GLU A 55 10.833 -10.816 30.654 1.00 0.00 C ATOM 854 OE1 GLU A 55 10.774 -11.851 31.353 1.00 0.00 O ATOM 855 OE2 GLU A 55 11.369 -9.763 31.076 1.00 0.00 O ATOM 0 H GLU A 55 11.708 -9.107 27.521 1.00 0.00 H new ATOM 0 HA GLU A 55 13.063 -11.304 28.925 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.535 -11.380 27.235 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.068 -12.570 28.405 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.021 -9.776 28.980 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.227 -11.298 29.337 1.00 0.00 H new ATOM 862 N VAL A 56 13.375 -10.721 25.825 1.00 0.00 N ATOM 863 CA VAL A 56 13.881 -11.162 24.548 1.00 0.00 C ATOM 864 C VAL A 56 15.083 -10.317 24.062 1.00 0.00 C ATOM 865 O VAL A 56 15.027 -9.078 24.015 1.00 0.00 O ATOM 866 CB VAL A 56 12.734 -11.186 23.477 1.00 0.00 C ATOM 867 CG1 VAL A 56 12.055 -9.830 23.342 1.00 0.00 C ATOM 868 CG2 VAL A 56 13.244 -11.650 22.133 1.00 0.00 C ATOM 0 H VAL A 56 13.239 -9.713 25.901 1.00 0.00 H new ATOM 0 HA VAL A 56 14.251 -12.178 24.683 1.00 0.00 H new ATOM 0 HB VAL A 56 11.991 -11.901 23.830 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.268 -9.891 22.591 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.621 -9.543 24.300 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.789 -9.084 23.039 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.424 -11.655 21.415 1.00 0.00 H new ATOM 0 HG22 VAL A 56 14.026 -10.974 21.787 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.651 -12.657 22.226 1.00 0.00 H new ATOM 878 N LYS A 57 16.166 -10.994 23.728 1.00 0.00 N ATOM 879 CA LYS A 57 17.345 -10.361 23.199 1.00 0.00 C ATOM 880 C LYS A 57 17.504 -10.762 21.739 1.00 0.00 C ATOM 881 O LYS A 57 17.275 -11.922 21.385 1.00 0.00 O ATOM 882 CB LYS A 57 18.580 -10.772 24.001 1.00 0.00 C ATOM 883 CG LYS A 57 18.546 -10.348 25.467 1.00 0.00 C ATOM 884 CD LYS A 57 19.796 -10.797 26.228 1.00 0.00 C ATOM 885 CE LYS A 57 21.075 -10.176 25.665 1.00 0.00 C ATOM 886 NZ LYS A 57 22.270 -10.551 26.450 1.00 0.00 N ATOM 0 H LYS A 57 16.246 -12.007 23.820 1.00 0.00 H new ATOM 0 HA LYS A 57 17.242 -9.278 23.273 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.688 -11.856 23.951 1.00 0.00 H new ATOM 0 HB3 LYS A 57 19.464 -10.342 23.531 1.00 0.00 H new ATOM 0 HG2 LYS A 57 18.456 -9.263 25.528 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.661 -10.769 25.945 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.695 -10.526 27.279 1.00 0.00 H new ATOM 0 HD3 LYS A 57 19.873 -11.883 26.185 1.00 0.00 H new ATOM 0 HE2 LYS A 57 21.207 -10.495 24.631 1.00 0.00 H new ATOM 0 HE3 LYS A 57 20.976 -9.091 25.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.113 -10.108 26.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 22.157 -10.225 27.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 22.382 -11.585 26.440 1.00 0.00 H new ATOM 900 N LEU A 58 17.881 -9.826 20.901 1.00 0.00 N ATOM 901 CA LEU A 58 17.999 -10.090 19.488 1.00 0.00 C ATOM 902 C LEU A 58 19.487 -10.008 19.108 1.00 0.00 C ATOM 903 O LEU A 58 20.138 -8.976 19.331 1.00 0.00 O ATOM 904 CB LEU A 58 17.125 -9.039 18.719 1.00 0.00 C ATOM 905 CG LEU A 58 16.838 -9.248 17.203 1.00 0.00 C ATOM 906 CD1 LEU A 58 18.090 -9.160 16.359 1.00 0.00 C ATOM 907 CD2 LEU A 58 16.132 -10.577 16.975 1.00 0.00 C ATOM 0 H LEU A 58 18.112 -8.871 21.175 1.00 0.00 H new ATOM 0 HA LEU A 58 17.639 -11.084 19.222 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.163 -8.977 19.229 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.608 -8.068 18.830 1.00 0.00 H new ATOM 0 HG LEU A 58 16.184 -8.436 16.886 1.00 0.00 H new ATOM 0 HD11 LEU A 58 17.834 -9.313 15.311 1.00 0.00 H new ATOM 0 HD12 LEU A 58 18.543 -8.176 16.482 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.797 -9.927 16.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.938 -10.708 15.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 16.764 -11.390 17.332 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.188 -10.585 17.519 1.00 0.00 H new ATOM 919 N ILE A 59 20.015 -11.090 18.554 1.00 0.00 N ATOM 920 CA ILE A 59 21.422 -11.169 18.177 1.00 0.00 C ATOM 921 C ILE A 59 21.564 -11.526 16.702 1.00 0.00 C ATOM 922 O ILE A 59 20.879 -12.425 16.186 1.00 0.00 O ATOM 923 CB ILE A 59 22.192 -12.214 19.052 1.00 0.00 C ATOM 924 CG1 ILE A 59 22.090 -11.839 20.538 1.00 0.00 C ATOM 925 CG2 ILE A 59 23.659 -12.310 18.635 1.00 0.00 C ATOM 926 CD1 ILE A 59 22.860 -12.758 21.465 1.00 0.00 C ATOM 0 H ILE A 59 19.483 -11.937 18.353 1.00 0.00 H new ATOM 0 HA ILE A 59 21.862 -10.187 18.351 1.00 0.00 H new ATOM 0 HB ILE A 59 21.731 -13.189 18.896 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.454 -10.820 20.670 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.040 -11.843 20.831 1.00 0.00 H new ATOM 0 HG21 ILE A 59 24.168 -13.043 19.260 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.721 -12.618 17.591 1.00 0.00 H new ATOM 0 HG23 ILE A 59 24.136 -11.337 18.755 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.735 -12.424 22.495 1.00 0.00 H new ATOM 0 HD12 ILE A 59 22.482 -13.775 21.366 1.00 0.00 H new ATOM 0 HD13 ILE A 59 23.918 -12.737 21.202 1.00 0.00 H new ATOM 938 N SER A 60 22.419 -10.808 16.035 1.00 0.00 N ATOM 939 CA SER A 60 22.706 -11.031 14.653 1.00 0.00 C ATOM 940 C SER A 60 24.184 -10.777 14.456 1.00 0.00 C ATOM 941 O SER A 60 24.714 -9.778 14.972 1.00 0.00 O ATOM 942 CB SER A 60 21.870 -10.091 13.772 1.00 0.00 C ATOM 943 OG SER A 60 22.021 -10.385 12.390 1.00 0.00 O ATOM 0 H SER A 60 22.945 -10.037 16.446 1.00 0.00 H new ATOM 0 HA SER A 60 22.453 -12.052 14.366 1.00 0.00 H new ATOM 0 HB2 SER A 60 20.819 -10.174 14.048 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.168 -9.059 13.958 1.00 0.00 H new ATOM 0 HG SER A 60 22.065 -9.549 11.881 1.00 0.00 H new ATOM 949 N ALA A 61 24.860 -11.718 13.795 1.00 0.00 N ATOM 950 CA ALA A 61 26.298 -11.633 13.497 1.00 0.00 C ATOM 951 C ALA A 61 27.135 -11.695 14.773 1.00 0.00 C ATOM 952 O ALA A 61 28.326 -11.352 14.778 1.00 0.00 O ATOM 953 CB ALA A 61 26.617 -10.387 12.666 1.00 0.00 C ATOM 0 H ALA A 61 24.423 -12.571 13.446 1.00 0.00 H new ATOM 0 HA ALA A 61 26.567 -12.501 12.896 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.687 -10.351 12.461 1.00 0.00 H new ATOM 0 HB2 ALA A 61 26.068 -10.427 11.725 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.323 -9.495 13.220 1.00 0.00 H new ATOM 959 N GLY A 62 26.512 -12.172 15.836 1.00 0.00 N ATOM 960 CA GLY A 62 27.167 -12.284 17.111 1.00 0.00 C ATOM 961 C GLY A 62 27.096 -11.002 17.923 1.00 0.00 C ATOM 962 O GLY A 62 27.804 -10.855 18.927 1.00 0.00 O ATOM 0 H GLY A 62 25.543 -12.489 15.832 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.710 -13.094 17.679 1.00 0.00 H new ATOM 0 HA3 GLY A 62 28.212 -12.553 16.955 1.00 0.00 H new ATOM 966 N LYS A 63 26.252 -10.073 17.501 1.00 0.00 N ATOM 967 CA LYS A 63 26.104 -8.814 18.146 1.00 0.00 C ATOM 968 C LYS A 63 24.697 -8.680 18.668 1.00 0.00 C ATOM 969 O LYS A 63 23.749 -9.070 17.991 1.00 0.00 O ATOM 970 CB LYS A 63 26.369 -7.670 17.154 1.00 0.00 C ATOM 971 CG LYS A 63 27.838 -7.352 16.795 1.00 0.00 C ATOM 972 CD LYS A 63 28.564 -8.499 16.119 1.00 0.00 C ATOM 973 CE LYS A 63 29.980 -8.109 15.710 1.00 0.00 C ATOM 974 NZ LYS A 63 29.996 -7.062 14.656 1.00 0.00 N ATOM 0 H LYS A 63 25.649 -10.192 16.687 1.00 0.00 H new ATOM 0 HA LYS A 63 26.820 -8.757 18.966 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.841 -7.900 16.229 1.00 0.00 H new ATOM 0 HB3 LYS A 63 25.920 -6.764 17.561 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.862 -6.482 16.139 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.374 -7.080 17.704 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.603 -9.353 16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.005 -8.815 15.238 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.522 -7.749 16.585 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.508 -8.992 15.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.953 -6.987 14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.325 -7.317 13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.721 -6.148 15.070 1.00 0.00 H new ATOM 988 N VAL A 64 24.561 -8.145 19.855 1.00 0.00 N ATOM 989 CA VAL A 64 23.257 -7.895 20.429 1.00 0.00 C ATOM 990 C VAL A 64 22.784 -6.550 19.920 1.00 0.00 C ATOM 991 O VAL A 64 23.457 -5.530 20.124 1.00 0.00 O ATOM 992 CB VAL A 64 23.306 -7.860 21.979 1.00 0.00 C ATOM 993 CG1 VAL A 64 21.914 -7.655 22.570 1.00 0.00 C ATOM 994 CG2 VAL A 64 23.939 -9.121 22.532 1.00 0.00 C ATOM 0 H VAL A 64 25.343 -7.871 20.450 1.00 0.00 H new ATOM 0 HA VAL A 64 22.581 -8.699 20.139 1.00 0.00 H new ATOM 0 HB VAL A 64 23.925 -7.012 22.270 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.980 -7.635 23.658 1.00 0.00 H new ATOM 0 HG12 VAL A 64 21.503 -6.710 22.214 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.263 -8.473 22.261 1.00 0.00 H new ATOM 0 HG21 VAL A 64 23.961 -9.070 23.621 1.00 0.00 H new ATOM 0 HG22 VAL A 64 23.356 -9.988 22.221 1.00 0.00 H new ATOM 0 HG23 VAL A 64 24.957 -9.214 22.153 1.00 0.00 H new ATOM 1004 N LEU A 65 21.664 -6.534 19.258 1.00 0.00 N ATOM 1005 CA LEU A 65 21.168 -5.336 18.674 1.00 0.00 C ATOM 1006 C LEU A 65 20.505 -4.428 19.691 1.00 0.00 C ATOM 1007 O LEU A 65 19.565 -4.823 20.397 1.00 0.00 O ATOM 1008 CB LEU A 65 20.249 -5.609 17.475 1.00 0.00 C ATOM 1009 CG LEU A 65 20.904 -6.153 16.187 1.00 0.00 C ATOM 1010 CD1 LEU A 65 21.466 -7.542 16.361 1.00 0.00 C ATOM 1011 CD2 LEU A 65 19.937 -6.093 15.014 1.00 0.00 C ATOM 0 H LEU A 65 21.074 -7.353 19.111 1.00 0.00 H new ATOM 0 HA LEU A 65 22.039 -4.802 18.293 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.486 -6.320 17.791 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.736 -4.680 17.226 1.00 0.00 H new ATOM 0 HG LEU A 65 21.750 -5.502 15.967 1.00 0.00 H new ATOM 0 HD11 LEU A 65 21.914 -7.873 15.424 1.00 0.00 H new ATOM 0 HD12 LEU A 65 22.226 -7.532 17.143 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.665 -8.226 16.642 1.00 0.00 H new ATOM 0 HD21 LEU A 65 20.425 -6.482 14.120 1.00 0.00 H new ATOM 0 HD22 LEU A 65 19.056 -6.694 15.238 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.637 -5.059 14.842 1.00 0.00 H new ATOM 1023 N GLU A 66 21.036 -3.233 19.778 1.00 0.00 N ATOM 1024 CA GLU A 66 20.540 -2.183 20.636 1.00 0.00 C ATOM 1025 C GLU A 66 19.264 -1.640 20.013 1.00 0.00 C ATOM 1026 O GLU A 66 19.235 -1.376 18.830 1.00 0.00 O ATOM 1027 CB GLU A 66 21.608 -1.094 20.690 1.00 0.00 C ATOM 1028 CG GLU A 66 21.326 0.075 21.593 1.00 0.00 C ATOM 1029 CD GLU A 66 22.415 1.106 21.498 1.00 0.00 C ATOM 1030 OE1 GLU A 66 23.577 0.809 21.888 1.00 0.00 O ATOM 1031 OE2 GLU A 66 22.149 2.205 21.010 1.00 0.00 O ATOM 0 H GLU A 66 21.853 -2.954 19.235 1.00 0.00 H new ATOM 0 HA GLU A 66 20.328 -2.540 21.644 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.546 -1.551 21.005 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.762 -0.716 19.679 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.370 0.525 21.323 1.00 0.00 H new ATOM 0 HG3 GLU A 66 21.236 -0.270 22.623 1.00 0.00 H new ATOM 1038 N ASN A 67 18.225 -1.467 20.794 1.00 0.00 N ATOM 1039 CA ASN A 67 16.928 -1.045 20.232 1.00 0.00 C ATOM 1040 C ASN A 67 16.971 0.390 19.680 1.00 0.00 C ATOM 1041 O ASN A 67 16.170 0.757 18.828 1.00 0.00 O ATOM 1042 CB ASN A 67 15.765 -1.205 21.241 1.00 0.00 C ATOM 1043 CG ASN A 67 15.791 -0.209 22.388 1.00 0.00 C ATOM 1044 OD1 ASN A 67 15.220 0.865 22.298 1.00 0.00 O ATOM 1045 ND2 ASN A 67 16.423 -0.564 23.465 1.00 0.00 N ATOM 0 H ASN A 67 18.232 -1.604 21.805 1.00 0.00 H new ATOM 0 HA ASN A 67 16.735 -1.718 19.397 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.820 -1.102 20.708 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.792 -2.215 21.651 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.452 0.063 24.269 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.890 -1.470 23.507 1.00 0.00 H new ATOM 1052 N SER A 68 17.930 1.177 20.153 1.00 0.00 N ATOM 1053 CA SER A 68 18.040 2.583 19.782 1.00 0.00 C ATOM 1054 C SER A 68 18.712 2.807 18.407 1.00 0.00 C ATOM 1055 O SER A 68 18.761 3.943 17.903 1.00 0.00 O ATOM 1056 CB SER A 68 18.755 3.352 20.886 1.00 0.00 C ATOM 1057 OG SER A 68 18.076 3.174 22.131 1.00 0.00 O ATOM 0 H SER A 68 18.651 0.860 20.802 1.00 0.00 H new ATOM 0 HA SER A 68 17.026 2.968 19.672 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.785 3.005 20.972 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.795 4.412 20.634 1.00 0.00 H new ATOM 0 HG SER A 68 18.545 3.671 22.833 1.00 0.00 H new ATOM 1063 N LYS A 69 19.201 1.754 17.812 1.00 0.00 N ATOM 1064 CA LYS A 69 19.803 1.820 16.516 1.00 0.00 C ATOM 1065 C LYS A 69 18.895 1.172 15.493 1.00 0.00 C ATOM 1066 O LYS A 69 17.909 0.533 15.851 1.00 0.00 O ATOM 1067 CB LYS A 69 21.174 1.172 16.489 1.00 0.00 C ATOM 1068 CG LYS A 69 21.196 -0.269 16.932 1.00 0.00 C ATOM 1069 CD LYS A 69 22.554 -0.917 16.737 1.00 0.00 C ATOM 1070 CE LYS A 69 23.677 -0.189 17.456 1.00 0.00 C ATOM 1071 NZ LYS A 69 24.975 -0.869 17.236 1.00 0.00 N ATOM 0 H LYS A 69 19.191 0.819 18.220 1.00 0.00 H new ATOM 0 HA LYS A 69 19.939 2.873 16.268 1.00 0.00 H new ATOM 0 HB2 LYS A 69 21.570 1.233 15.475 1.00 0.00 H new ATOM 0 HB3 LYS A 69 21.845 1.745 17.129 1.00 0.00 H new ATOM 0 HG2 LYS A 69 20.918 -0.326 17.984 1.00 0.00 H new ATOM 0 HG3 LYS A 69 20.446 -0.829 16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.512 -1.947 17.093 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.780 -0.957 15.671 1.00 0.00 H new ATOM 0 HE2 LYS A 69 23.736 0.839 17.099 1.00 0.00 H new ATOM 0 HE3 LYS A 69 23.462 -0.144 18.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 25.746 -0.174 17.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 25.110 -1.602 17.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.981 -1.309 16.294 1.00 0.00 H new ATOM 1085 N THR A 70 19.189 1.371 14.251 1.00 0.00 N ATOM 1086 CA THR A 70 18.428 0.827 13.185 1.00 0.00 C ATOM 1087 C THR A 70 19.084 -0.426 12.626 1.00 0.00 C ATOM 1088 O THR A 70 20.216 -0.775 13.005 1.00 0.00 O ATOM 1089 CB THR A 70 18.321 1.867 12.085 1.00 0.00 C ATOM 1090 OG1 THR A 70 19.631 2.364 11.809 1.00 0.00 O ATOM 1091 CG2 THR A 70 17.403 3.008 12.483 1.00 0.00 C ATOM 0 H THR A 70 19.985 1.931 13.946 1.00 0.00 H new ATOM 0 HA THR A 70 17.441 0.557 13.560 1.00 0.00 H new ATOM 0 HB THR A 70 17.892 1.403 11.197 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.567 3.143 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.351 3.733 11.671 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.405 2.618 12.686 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.792 3.493 13.378 1.00 0.00 H new ATOM 1099 N VAL A 71 18.375 -1.102 11.727 1.00 0.00 N ATOM 1100 CA VAL A 71 18.901 -2.271 11.030 1.00 0.00 C ATOM 1101 C VAL A 71 20.076 -1.826 10.143 1.00 0.00 C ATOM 1102 O VAL A 71 20.985 -2.596 9.846 1.00 0.00 O ATOM 1103 CB VAL A 71 17.794 -2.953 10.157 1.00 0.00 C ATOM 1104 CG1 VAL A 71 18.325 -4.193 9.446 1.00 0.00 C ATOM 1105 CG2 VAL A 71 16.581 -3.315 11.011 1.00 0.00 C ATOM 0 H VAL A 71 17.422 -0.855 11.462 1.00 0.00 H new ATOM 0 HA VAL A 71 19.240 -3.003 11.763 1.00 0.00 H new ATOM 0 HB VAL A 71 17.489 -2.234 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.529 -4.639 8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 71 19.153 -3.912 8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 71 18.674 -4.915 10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.824 -3.788 10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.883 -4.005 11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.169 -2.411 11.459 1.00 0.00 H new ATOM 1115 N LYS A 72 20.029 -0.557 9.764 1.00 0.00 N ATOM 1116 CA LYS A 72 21.011 0.123 8.933 1.00 0.00 C ATOM 1117 C LYS A 72 22.414 -0.027 9.508 1.00 0.00 C ATOM 1118 O LYS A 72 23.398 -0.135 8.768 1.00 0.00 O ATOM 1119 CB LYS A 72 20.646 1.599 8.876 1.00 0.00 C ATOM 1120 CG LYS A 72 21.376 2.399 7.828 1.00 0.00 C ATOM 1121 CD LYS A 72 21.061 1.866 6.454 1.00 0.00 C ATOM 1122 CE LYS A 72 21.573 2.765 5.362 1.00 0.00 C ATOM 1123 NZ LYS A 72 21.234 2.217 4.040 1.00 0.00 N ATOM 0 H LYS A 72 19.264 0.058 10.043 1.00 0.00 H new ATOM 0 HA LYS A 72 21.004 -0.319 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.575 1.685 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.842 2.044 9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 72 21.087 3.448 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 72 22.450 2.352 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 72 21.500 0.875 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.982 1.750 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 72 21.142 3.760 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 72 22.654 2.874 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.504 2.898 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.747 1.325 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.210 2.040 3.990 1.00 0.00 H new ATOM 1137 N ASP A 73 22.488 -0.064 10.822 1.00 0.00 N ATOM 1138 CA ASP A 73 23.752 -0.199 11.545 1.00 0.00 C ATOM 1139 C ASP A 73 24.425 -1.546 11.228 1.00 0.00 C ATOM 1140 O ASP A 73 25.651 -1.663 11.213 1.00 0.00 O ATOM 1141 CB ASP A 73 23.491 -0.046 13.050 1.00 0.00 C ATOM 1142 CG ASP A 73 24.738 -0.133 13.904 1.00 0.00 C ATOM 1143 OD1 ASP A 73 25.493 0.860 13.976 1.00 0.00 O ATOM 1144 OD2 ASP A 73 24.964 -1.167 14.553 1.00 0.00 O ATOM 0 H ASP A 73 21.671 -0.001 11.430 1.00 0.00 H new ATOM 0 HA ASP A 73 24.437 0.585 11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 73 23.007 0.914 13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.791 -0.819 13.367 1.00 0.00 H new ATOM 1149 N TYR A 74 23.610 -2.542 10.940 1.00 0.00 N ATOM 1150 CA TYR A 74 24.088 -3.860 10.601 1.00 0.00 C ATOM 1151 C TYR A 74 23.885 -4.170 9.120 1.00 0.00 C ATOM 1152 O TYR A 74 24.147 -5.287 8.660 1.00 0.00 O ATOM 1153 CB TYR A 74 23.399 -4.900 11.461 1.00 0.00 C ATOM 1154 CG TYR A 74 23.736 -4.775 12.919 1.00 0.00 C ATOM 1155 CD1 TYR A 74 24.879 -5.368 13.434 1.00 0.00 C ATOM 1156 CD2 TYR A 74 22.925 -4.059 13.781 1.00 0.00 C ATOM 1157 CE1 TYR A 74 25.201 -5.248 14.764 1.00 0.00 C ATOM 1158 CE2 TYR A 74 23.242 -3.937 15.112 1.00 0.00 C ATOM 1159 CZ TYR A 74 24.379 -4.532 15.598 1.00 0.00 C ATOM 1160 OH TYR A 74 24.699 -4.405 16.928 1.00 0.00 O ATOM 0 H TYR A 74 22.594 -2.455 10.936 1.00 0.00 H new ATOM 0 HA TYR A 74 25.160 -3.888 10.796 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.320 -4.811 11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 74 23.679 -5.894 11.113 1.00 0.00 H new ATOM 0 HD1 TYR A 74 25.526 -5.933 12.779 1.00 0.00 H new ATOM 0 HD2 TYR A 74 22.030 -3.589 13.402 1.00 0.00 H new ATOM 0 HE1 TYR A 74 26.095 -5.714 15.151 1.00 0.00 H new ATOM 0 HE2 TYR A 74 22.599 -3.375 15.773 1.00 0.00 H new ATOM 0 HH TYR A 74 24.015 -3.867 17.379 1.00 0.00 H new ATOM 1170 N ARG A 75 23.424 -3.191 8.381 1.00 0.00 N ATOM 1171 CA ARG A 75 23.215 -3.321 6.990 1.00 0.00 C ATOM 1172 C ARG A 75 24.555 -3.186 6.277 1.00 0.00 C ATOM 1173 O ARG A 75 25.395 -2.357 6.661 1.00 0.00 O ATOM 1174 CB ARG A 75 22.262 -2.225 6.576 1.00 0.00 C ATOM 1175 CG ARG A 75 21.906 -2.157 5.128 1.00 0.00 C ATOM 1176 CD ARG A 75 21.166 -3.399 4.636 1.00 0.00 C ATOM 1177 NE ARG A 75 20.689 -3.227 3.256 1.00 0.00 N ATOM 1178 CZ ARG A 75 19.983 -4.134 2.549 1.00 0.00 C ATOM 1179 NH1 ARG A 75 19.780 -5.363 3.034 1.00 0.00 N ATOM 1180 NH2 ARG A 75 19.509 -3.812 1.343 1.00 0.00 N ATOM 0 H ARG A 75 23.184 -2.271 8.752 1.00 0.00 H new ATOM 0 HA ARG A 75 22.791 -4.291 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 75 21.341 -2.341 7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 75 22.698 -1.268 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.285 -1.278 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.816 -2.027 4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.828 -4.264 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.320 -3.604 5.292 1.00 0.00 H new ATOM 0 HE ARG A 75 20.911 -2.346 2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.160 -5.621 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.245 -6.043 2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.681 -2.883 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 75 18.975 -4.495 0.806 1.00 0.00 H new ATOM 1306 N VAL A 85 16.052 -13.341 2.940 1.00 0.00 N ATOM 1307 CA VAL A 85 15.618 -13.501 4.283 1.00 0.00 C ATOM 1308 C VAL A 85 16.819 -13.710 5.164 1.00 0.00 C ATOM 1309 O VAL A 85 17.594 -14.657 4.990 1.00 0.00 O ATOM 1310 CB VAL A 85 14.654 -14.693 4.449 1.00 0.00 C ATOM 1311 CG1 VAL A 85 14.188 -14.817 5.895 1.00 0.00 C ATOM 1312 CG2 VAL A 85 13.465 -14.578 3.505 1.00 0.00 C ATOM 0 HA VAL A 85 15.077 -12.598 4.568 1.00 0.00 H new ATOM 0 HB VAL A 85 15.199 -15.600 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.509 -15.665 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.051 -14.971 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.671 -13.904 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.804 -15.433 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.919 -13.659 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.819 -14.560 2.474 1.00 0.00 H new ATOM 1322 N THR A 86 16.969 -12.825 6.072 1.00 0.00 N ATOM 1323 CA THR A 86 18.042 -12.830 7.003 1.00 0.00 C ATOM 1324 C THR A 86 17.534 -13.490 8.285 1.00 0.00 C ATOM 1325 O THR A 86 16.384 -13.261 8.691 1.00 0.00 O ATOM 1326 CB THR A 86 18.498 -11.376 7.281 1.00 0.00 C ATOM 1327 OG1 THR A 86 18.692 -10.696 6.013 1.00 0.00 O ATOM 1328 CG2 THR A 86 19.819 -11.363 8.040 1.00 0.00 C ATOM 0 H THR A 86 16.325 -12.044 6.197 1.00 0.00 H new ATOM 0 HA THR A 86 18.898 -13.381 6.612 1.00 0.00 H new ATOM 0 HB THR A 86 17.736 -10.878 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 86 18.979 -9.774 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.122 -10.332 8.225 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.698 -11.882 8.991 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.584 -11.865 7.448 1.00 0.00 H new ATOM 1336 N THR A 87 18.326 -14.335 8.878 1.00 0.00 N ATOM 1337 CA THR A 87 17.892 -15.006 10.060 1.00 0.00 C ATOM 1338 C THR A 87 18.533 -14.383 11.299 1.00 0.00 C ATOM 1339 O THR A 87 19.763 -14.374 11.450 1.00 0.00 O ATOM 1340 CB THR A 87 18.242 -16.502 9.992 1.00 0.00 C ATOM 1341 OG1 THR A 87 17.731 -17.049 8.763 1.00 0.00 O ATOM 1342 CG2 THR A 87 17.616 -17.250 11.163 1.00 0.00 C ATOM 0 H THR A 87 19.267 -14.572 8.563 1.00 0.00 H new ATOM 0 HA THR A 87 16.810 -14.898 10.130 1.00 0.00 H new ATOM 0 HB THR A 87 19.325 -16.613 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.952 -18.002 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.874 -18.307 11.099 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.993 -16.840 12.100 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.532 -17.138 11.129 1.00 0.00 H new ATOM 1350 N MET A 88 17.708 -13.861 12.161 1.00 0.00 N ATOM 1351 CA MET A 88 18.157 -13.310 13.411 1.00 0.00 C ATOM 1352 C MET A 88 17.968 -14.313 14.505 1.00 0.00 C ATOM 1353 O MET A 88 16.983 -15.062 14.511 1.00 0.00 O ATOM 1354 CB MET A 88 17.451 -11.989 13.736 1.00 0.00 C ATOM 1355 CG MET A 88 18.066 -10.749 13.081 1.00 0.00 C ATOM 1356 SD MET A 88 18.254 -10.846 11.293 1.00 0.00 S ATOM 1357 CE MET A 88 19.004 -9.247 10.962 1.00 0.00 C ATOM 0 H MET A 88 16.700 -13.805 12.017 1.00 0.00 H new ATOM 0 HA MET A 88 19.220 -13.084 13.324 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.409 -12.066 13.427 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.453 -11.849 14.817 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.445 -9.885 13.320 1.00 0.00 H new ATOM 0 HG3 MET A 88 19.045 -10.570 13.525 1.00 0.00 H new ATOM 0 HE1 MET A 88 18.731 -8.917 9.960 1.00 0.00 H new ATOM 0 HE2 MET A 88 18.649 -8.520 11.692 1.00 0.00 H new ATOM 0 HE3 MET A 88 20.088 -9.332 11.033 1.00 0.00 H new ATOM 1367 N HIS A 89 18.906 -14.356 15.414 1.00 0.00 N ATOM 1368 CA HIS A 89 18.856 -15.304 16.493 1.00 0.00 C ATOM 1369 C HIS A 89 18.228 -14.663 17.686 1.00 0.00 C ATOM 1370 O HIS A 89 18.672 -13.605 18.147 1.00 0.00 O ATOM 1371 CB HIS A 89 20.249 -15.862 16.835 1.00 0.00 C ATOM 1372 CG HIS A 89 20.883 -16.635 15.713 1.00 0.00 C ATOM 1373 ND1 HIS A 89 20.802 -18.003 15.602 1.00 0.00 N ATOM 1374 CD2 HIS A 89 21.612 -16.219 14.646 1.00 0.00 C ATOM 1375 CE1 HIS A 89 21.448 -18.397 14.524 1.00 0.00 C ATOM 1376 NE2 HIS A 89 21.950 -17.333 13.927 1.00 0.00 N ATOM 0 H HIS A 89 19.719 -13.740 15.427 1.00 0.00 H new ATOM 0 HA HIS A 89 18.249 -16.153 16.177 1.00 0.00 H new ATOM 0 HB2 HIS A 89 20.904 -15.035 17.110 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.167 -16.508 17.709 1.00 0.00 H new ATOM 0 HD2 HIS A 89 21.876 -15.199 14.409 1.00 0.00 H new ATOM 0 HE1 HIS A 89 21.550 -19.418 14.186 1.00 0.00 H new ATOM 0 HE2 HIS A 89 22.501 -17.340 13.069 1.00 0.00 H new ATOM 1385 N VAL A 90 17.198 -15.272 18.162 1.00 0.00 N ATOM 1386 CA VAL A 90 16.466 -14.760 19.270 1.00 0.00 C ATOM 1387 C VAL A 90 16.839 -15.492 20.522 1.00 0.00 C ATOM 1388 O VAL A 90 16.703 -16.722 20.628 1.00 0.00 O ATOM 1389 CB VAL A 90 14.946 -14.840 19.028 1.00 0.00 C ATOM 1390 CG1 VAL A 90 14.174 -14.313 20.211 1.00 0.00 C ATOM 1391 CG2 VAL A 90 14.565 -14.077 17.780 1.00 0.00 C ATOM 0 H VAL A 90 16.835 -16.150 17.789 1.00 0.00 H new ATOM 0 HA VAL A 90 16.726 -13.708 19.386 1.00 0.00 H new ATOM 0 HB VAL A 90 14.688 -15.891 18.894 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.105 -14.383 20.009 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.415 -14.903 21.095 1.00 0.00 H new ATOM 0 HG13 VAL A 90 14.442 -13.271 20.386 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.488 -14.145 17.626 1.00 0.00 H new ATOM 0 HG22 VAL A 90 14.850 -13.031 17.892 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.082 -14.504 16.921 1.00 0.00 H new ATOM 1401 N ILE A 91 17.314 -14.738 21.443 1.00 0.00 N ATOM 1402 CA ILE A 91 17.728 -15.219 22.700 1.00 0.00 C ATOM 1403 C ILE A 91 16.632 -14.982 23.703 1.00 0.00 C ATOM 1404 O ILE A 91 16.247 -13.837 23.993 1.00 0.00 O ATOM 1405 CB ILE A 91 19.032 -14.538 23.116 1.00 0.00 C ATOM 1406 CG1 ILE A 91 20.177 -14.936 22.170 1.00 0.00 C ATOM 1407 CG2 ILE A 91 19.395 -14.809 24.574 1.00 0.00 C ATOM 1408 CD1 ILE A 91 20.446 -16.431 22.093 1.00 0.00 C ATOM 0 H ILE A 91 17.428 -13.730 21.334 1.00 0.00 H new ATOM 0 HA ILE A 91 17.920 -16.291 22.648 1.00 0.00 H new ATOM 0 HB ILE A 91 18.874 -13.463 23.034 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.948 -14.570 21.169 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.088 -14.433 22.492 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.329 -14.302 24.817 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.601 -14.437 25.222 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.514 -15.882 24.726 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.269 -16.618 21.403 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.710 -16.805 23.082 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.552 -16.944 21.739 1.00 0.00 H new ATOM 1420 N ILE A 92 16.134 -16.056 24.205 1.00 0.00 N ATOM 1421 CA ILE A 92 15.026 -16.059 25.097 1.00 0.00 C ATOM 1422 C ILE A 92 15.496 -16.205 26.524 1.00 0.00 C ATOM 1423 O ILE A 92 16.150 -17.195 26.874 1.00 0.00 O ATOM 1424 CB ILE A 92 14.084 -17.246 24.752 1.00 0.00 C ATOM 1425 CG1 ILE A 92 13.512 -17.111 23.330 1.00 0.00 C ATOM 1426 CG2 ILE A 92 12.978 -17.410 25.781 1.00 0.00 C ATOM 1427 CD1 ILE A 92 12.683 -15.861 23.097 1.00 0.00 C ATOM 0 H ILE A 92 16.497 -16.987 24.001 1.00 0.00 H new ATOM 0 HA ILE A 92 14.493 -15.114 24.991 1.00 0.00 H new ATOM 0 HB ILE A 92 14.686 -18.154 24.783 1.00 0.00 H new ATOM 0 HG12 ILE A 92 14.338 -17.121 22.618 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.896 -17.984 23.116 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.343 -18.251 25.502 1.00 0.00 H new ATOM 0 HG22 ILE A 92 13.417 -17.597 26.761 1.00 0.00 H new ATOM 0 HG23 ILE A 92 12.379 -16.500 25.820 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.322 -15.851 22.069 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.834 -15.855 23.780 1.00 0.00 H new ATOM 0 HD13 ILE A 92 13.298 -14.978 23.275 1.00 0.00 H new ATOM 1439 N GLN A 93 15.193 -15.231 27.338 1.00 0.00 N ATOM 1440 CA GLN A 93 15.463 -15.337 28.740 1.00 0.00 C ATOM 1441 C GLN A 93 14.129 -15.293 29.440 1.00 0.00 C ATOM 1442 O GLN A 93 13.466 -14.259 29.464 1.00 0.00 O ATOM 1443 CB GLN A 93 16.357 -14.186 29.219 1.00 0.00 C ATOM 1444 CG GLN A 93 17.720 -14.119 28.540 1.00 0.00 C ATOM 1445 CD GLN A 93 18.558 -12.959 29.040 1.00 0.00 C ATOM 1446 OE1 GLN A 93 18.033 -11.926 29.441 1.00 0.00 O ATOM 1447 NE2 GLN A 93 19.854 -13.108 29.010 1.00 0.00 N ATOM 0 H GLN A 93 14.758 -14.354 27.051 1.00 0.00 H new ATOM 0 HA GLN A 93 15.995 -16.262 28.960 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.835 -13.244 29.052 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.505 -14.282 30.295 1.00 0.00 H new ATOM 0 HG2 GLN A 93 18.256 -15.052 28.714 1.00 0.00 H new ATOM 0 HG3 GLN A 93 17.582 -14.026 27.463 1.00 0.00 H new ATOM 0 HE21 GLN A 93 20.259 -13.980 28.671 1.00 0.00 H new ATOM 0 HE22 GLN A 93 20.462 -12.352 29.326 1.00 0.00 H new ATOM 1456 N ALA A 94 13.727 -16.402 29.970 1.00 0.00 N ATOM 1457 CA ALA A 94 12.441 -16.506 30.614 1.00 0.00 C ATOM 1458 C ALA A 94 12.581 -16.452 32.120 1.00 0.00 C ATOM 1459 O ALA A 94 13.585 -16.936 32.667 1.00 0.00 O ATOM 1460 CB ALA A 94 11.742 -17.791 30.183 1.00 0.00 C ATOM 0 H ALA A 94 14.273 -17.264 29.973 1.00 0.00 H new ATOM 0 HA ALA A 94 11.832 -15.656 30.306 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.772 -17.860 30.675 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.601 -17.784 29.102 1.00 0.00 H new ATOM 0 HB3 ALA A 94 12.353 -18.649 30.463 1.00 0.00 H new