USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 39 ASN : amide:sc= -4.12! C(o=-7.8!,f=-13!) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -3.71! C(o=-8.7!,f=-7.8!) USER MOD Single : A 16 CYS SG : rot 100:sc= -3.95! USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -135:sc= 0.884 (180deg=0.086) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -1.09 F(o=-2!,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= -6.75! C(o=-6.7!,f=-12!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0713 USER MOD Single : A 45 THR OG1 : rot -170:sc= 0.333 USER MOD Single : A 47 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.18) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.32 F(o=-3.4!,f=-1.3) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -166:sc= -0.321 (180deg=-1.03) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0986 USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= -0.013 (180deg=-0.126) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0402) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.621 7.050 4.671 1.00 0.00 N ATOM 121 CA LEU A 11 1.560 6.019 4.242 1.00 0.00 C ATOM 122 C LEU A 11 1.473 4.792 5.143 1.00 0.00 C ATOM 123 O LEU A 11 1.793 3.679 4.726 1.00 0.00 O ATOM 124 CB LEU A 11 2.988 6.569 4.246 1.00 0.00 C ATOM 125 CG LEU A 11 4.060 5.655 3.651 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.217 5.916 2.161 1.00 0.00 C ATOM 127 CD2 LEU A 11 5.387 5.852 4.370 1.00 0.00 C ATOM 0 HA LEU A 11 1.294 5.720 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.995 7.510 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.265 6.799 5.275 1.00 0.00 H new ATOM 0 HG LEU A 11 3.745 4.621 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.984 5.257 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.270 5.725 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.510 6.954 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.138 5.194 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.707 6.889 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.267 5.615 5.427 1.00 0.00 H new ATOM 139 N ARG A 12 1.035 5.003 6.380 1.00 0.00 N ATOM 140 CA ARG A 12 0.904 3.914 7.340 1.00 0.00 C ATOM 141 C ARG A 12 0.316 2.673 6.678 1.00 0.00 C ATOM 142 O ARG A 12 0.517 1.552 7.144 1.00 0.00 O ATOM 143 CB ARG A 12 0.023 4.344 8.515 1.00 0.00 C ATOM 144 CG ARG A 12 -1.465 4.303 8.207 1.00 0.00 C ATOM 145 CD ARG A 12 -2.270 5.062 9.249 1.00 0.00 C ATOM 146 NE ARG A 12 -3.686 4.701 9.217 1.00 0.00 N ATOM 147 CZ ARG A 12 -4.169 3.577 9.734 1.00 0.00 C ATOM 148 NH1 ARG A 12 -3.357 2.710 10.320 1.00 0.00 N ATOM 149 NH2 ARG A 12 -5.469 3.320 9.664 1.00 0.00 N ATOM 0 H ARG A 12 0.765 5.918 6.741 1.00 0.00 H new ATOM 0 HA ARG A 12 1.899 3.670 7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.227 3.696 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.296 5.357 8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.646 4.733 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.802 3.267 8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.866 4.856 10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.165 6.133 9.078 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.339 5.347 8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.357 2.905 10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.731 1.848 10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.097 3.986 9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.840 2.457 10.061 1.00 0.00 H new ATOM 163 N GLY A 13 -0.413 2.880 5.585 1.00 0.00 N ATOM 164 CA GLY A 13 -1.020 1.769 4.875 1.00 0.00 C ATOM 165 C GLY A 13 -0.050 0.626 4.650 1.00 0.00 C ATOM 166 O GLY A 13 -0.424 -0.544 4.749 1.00 0.00 O ATOM 0 H GLY A 13 -0.594 3.798 5.179 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.879 1.407 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.395 2.118 3.913 1.00 0.00 H new ATOM 170 N LEU A 14 1.198 0.963 4.345 1.00 0.00 N ATOM 171 CA LEU A 14 2.225 -0.045 4.103 1.00 0.00 C ATOM 172 C LEU A 14 2.470 -0.883 5.353 1.00 0.00 C ATOM 173 O LEU A 14 2.292 -2.100 5.340 1.00 0.00 O ATOM 174 CB LEU A 14 3.528 0.623 3.659 1.00 0.00 C ATOM 175 CG LEU A 14 3.443 1.492 2.403 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.703 2.329 2.247 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.217 0.628 1.170 1.00 0.00 C ATOM 0 H LEU A 14 1.524 1.926 4.259 1.00 0.00 H new ATOM 0 HA LEU A 14 1.873 -0.704 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.894 1.240 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.272 -0.155 3.489 1.00 0.00 H new ATOM 0 HG LEU A 14 2.594 2.167 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.625 2.941 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.820 2.975 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.569 1.672 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.159 1.263 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.045 -0.072 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.285 0.074 1.280 1.00 0.00 H new ATOM 189 N GLU A 15 2.879 -0.223 6.431 1.00 0.00 N ATOM 190 CA GLU A 15 3.148 -0.909 7.690 1.00 0.00 C ATOM 191 C GLU A 15 1.914 -1.668 8.170 1.00 0.00 C ATOM 192 O GLU A 15 2.026 -2.723 8.796 1.00 0.00 O ATOM 193 CB GLU A 15 3.591 0.094 8.758 1.00 0.00 C ATOM 194 CG GLU A 15 4.951 0.713 8.484 1.00 0.00 C ATOM 195 CD GLU A 15 6.097 -0.195 8.884 1.00 0.00 C ATOM 196 OE1 GLU A 15 6.327 -1.203 8.183 1.00 0.00 O ATOM 197 OE2 GLU A 15 6.764 0.099 9.898 1.00 0.00 O ATOM 0 H GLU A 15 3.031 0.785 6.459 1.00 0.00 H new ATOM 0 HA GLU A 15 3.951 -1.626 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.848 0.888 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.617 -0.406 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.032 0.948 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.033 1.655 9.026 1.00 0.00 H new ATOM 204 N CYS A 16 0.739 -1.123 7.873 1.00 0.00 N ATOM 205 CA CYS A 16 -0.516 -1.747 8.275 1.00 0.00 C ATOM 206 C CYS A 16 -0.521 -3.232 7.926 1.00 0.00 C ATOM 207 O CYS A 16 -0.669 -4.085 8.802 1.00 0.00 O ATOM 208 CB CYS A 16 -1.697 -1.048 7.599 1.00 0.00 C ATOM 209 SG CYS A 16 -3.315 -1.639 8.146 1.00 0.00 S ATOM 0 H CYS A 16 0.630 -0.251 7.356 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.614 -1.646 9.356 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.630 0.023 7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.618 -1.185 6.521 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.806 -0.813 9.021 1.00 0.00 H new ATOM 215 N ILE A 17 -0.360 -3.533 6.641 1.00 0.00 N ATOM 216 CA ILE A 17 -0.347 -4.915 6.177 1.00 0.00 C ATOM 217 C ILE A 17 0.894 -5.650 6.674 1.00 0.00 C ATOM 218 O ILE A 17 2.007 -5.133 6.596 1.00 0.00 O ATOM 219 CB ILE A 17 -0.393 -4.993 4.640 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.712 -4.128 4.030 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.758 -4.555 4.129 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.904 -4.352 2.547 1.00 0.00 C ATOM 0 H ILE A 17 -0.237 -2.839 5.904 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.238 -5.393 6.584 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.227 -6.027 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.478 -3.078 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.650 -4.335 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.776 -4.615 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.527 -5.208 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.950 -3.528 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.703 -3.706 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.169 -5.394 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.021 -4.118 2.021 1.00 0.00 H new ATOM 234 N ASN A 18 0.692 -6.861 7.186 1.00 0.00 N ATOM 235 CA ASN A 18 1.794 -7.668 7.695 1.00 0.00 C ATOM 236 C ASN A 18 2.846 -7.897 6.614 1.00 0.00 C ATOM 237 O ASN A 18 2.527 -7.967 5.427 1.00 0.00 O ATOM 238 CB ASN A 18 1.274 -9.011 8.209 1.00 0.00 C ATOM 239 CG ASN A 18 0.699 -8.912 9.609 1.00 0.00 C ATOM 240 OD1 ASN A 18 -0.510 -8.764 9.786 1.00 0.00 O ATOM 241 ND2 ASN A 18 1.565 -8.992 10.611 1.00 0.00 N ATOM 0 H ASN A 18 -0.224 -7.304 7.259 1.00 0.00 H new ATOM 0 HA ASN A 18 2.258 -7.126 8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.507 -9.384 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.086 -9.738 8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.237 -8.931 11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.559 -9.115 10.417 1.00 0.00 H new ATOM 248 N LYS A 19 4.101 -8.015 7.032 1.00 0.00 N ATOM 249 CA LYS A 19 5.201 -8.238 6.102 1.00 0.00 C ATOM 250 C LYS A 19 4.807 -9.245 5.026 1.00 0.00 C ATOM 251 O LYS A 19 5.248 -9.148 3.880 1.00 0.00 O ATOM 252 CB LYS A 19 6.439 -8.735 6.852 1.00 0.00 C ATOM 253 CG LYS A 19 7.220 -7.629 7.538 1.00 0.00 C ATOM 254 CD LYS A 19 8.174 -6.941 6.576 1.00 0.00 C ATOM 255 CE LYS A 19 9.201 -6.097 7.316 1.00 0.00 C ATOM 256 NZ LYS A 19 10.327 -5.690 6.431 1.00 0.00 N ATOM 0 H LYS A 19 4.382 -7.960 8.011 1.00 0.00 H new ATOM 0 HA LYS A 19 5.434 -7.289 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.131 -9.468 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.095 -9.251 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.527 -6.896 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.782 -8.044 8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.685 -7.690 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.609 -6.310 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.717 -5.208 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.591 -6.660 8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.005 -5.117 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.805 -6.538 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.959 -5.131 5.635 1.00 0.00 H new ATOM 270 N HIS A 20 3.973 -10.209 5.401 1.00 0.00 N ATOM 271 CA HIS A 20 3.518 -11.233 4.466 1.00 0.00 C ATOM 272 C HIS A 20 2.944 -10.598 3.203 1.00 0.00 C ATOM 273 O HIS A 20 3.369 -10.911 2.091 1.00 0.00 O ATOM 274 CB HIS A 20 2.467 -12.125 5.126 1.00 0.00 C ATOM 275 CG HIS A 20 1.624 -12.883 4.147 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.144 -13.796 3.255 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.289 -12.861 3.926 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.166 -14.300 2.524 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.030 -13.750 2.912 1.00 0.00 N ATOM 0 H HIS A 20 3.598 -10.303 6.345 1.00 0.00 H new ATOM 0 HA HIS A 20 4.377 -11.843 4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.967 -12.833 5.787 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.819 -11.509 5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.437 -12.257 4.450 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.277 -15.037 1.742 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.890 -13.953 2.522 1.00 0.00 H new ATOM 288 N TYR A 21 1.975 -9.708 3.383 1.00 0.00 N ATOM 289 CA TYR A 21 1.340 -9.032 2.258 1.00 0.00 C ATOM 290 C TYR A 21 2.285 -8.012 1.631 1.00 0.00 C ATOM 291 O TYR A 21 2.462 -7.978 0.413 1.00 0.00 O ATOM 292 CB TYR A 21 0.053 -8.340 2.712 1.00 0.00 C ATOM 293 CG TYR A 21 -1.111 -9.287 2.896 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.592 -10.041 1.833 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.730 -9.426 4.132 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.657 -10.907 1.996 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.793 -10.291 4.305 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.254 -11.029 3.234 1.00 0.00 C ATOM 299 OH TYR A 21 -4.314 -11.890 3.401 1.00 0.00 O ATOM 0 H TYR A 21 1.612 -9.438 4.297 1.00 0.00 H new ATOM 0 HA TYR A 21 1.095 -9.783 1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.241 -7.822 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.219 -7.581 1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.126 -9.949 0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.374 -8.848 4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.020 -11.485 1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.261 -10.389 5.273 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.618 -11.858 4.332 1.00 0.00 H new ATOM 309 N PHE A 22 2.891 -7.181 2.472 1.00 0.00 N ATOM 310 CA PHE A 22 3.819 -6.159 2.003 1.00 0.00 C ATOM 311 C PHE A 22 4.689 -6.693 0.869 1.00 0.00 C ATOM 312 O PHE A 22 4.839 -6.050 -0.170 1.00 0.00 O ATOM 313 CB PHE A 22 4.703 -5.674 3.153 1.00 0.00 C ATOM 314 CG PHE A 22 5.757 -4.693 2.728 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.439 -3.630 1.898 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.067 -4.834 3.157 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.406 -2.725 1.505 1.00 0.00 C ATOM 318 CE2 PHE A 22 8.040 -3.932 2.767 1.00 0.00 C ATOM 319 CZ PHE A 22 7.708 -2.877 1.938 1.00 0.00 C ATOM 0 H PHE A 22 2.756 -7.195 3.483 1.00 0.00 H new ATOM 0 HA PHE A 22 3.234 -5.320 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.074 -5.212 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.185 -6.534 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.423 -3.507 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.331 -5.658 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.144 -1.900 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.057 -4.052 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.466 -2.172 1.629 1.00 0.00 H new ATOM 329 N SER A 23 5.261 -7.875 1.077 1.00 0.00 N ATOM 330 CA SER A 23 6.119 -8.496 0.074 1.00 0.00 C ATOM 331 C SER A 23 5.444 -8.497 -1.294 1.00 0.00 C ATOM 332 O SER A 23 6.053 -8.126 -2.299 1.00 0.00 O ATOM 333 CB SER A 23 6.465 -9.929 0.486 1.00 0.00 C ATOM 334 OG SER A 23 7.528 -10.441 -0.298 1.00 0.00 O ATOM 0 H SER A 23 5.146 -8.422 1.930 1.00 0.00 H new ATOM 0 HA SER A 23 7.037 -7.913 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.743 -9.951 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.587 -10.565 0.374 1.00 0.00 H new ATOM 0 HG SER A 23 7.732 -11.357 -0.015 1.00 0.00 H new ATOM 340 N LEU A 24 4.184 -8.914 -1.326 1.00 0.00 N ATOM 341 CA LEU A 24 3.425 -8.964 -2.570 1.00 0.00 C ATOM 342 C LEU A 24 3.417 -7.601 -3.257 1.00 0.00 C ATOM 343 O LEU A 24 3.797 -7.480 -4.421 1.00 0.00 O ATOM 344 CB LEU A 24 1.991 -9.418 -2.298 1.00 0.00 C ATOM 345 CG LEU A 24 1.788 -10.922 -2.105 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.963 -11.302 -0.643 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.414 -11.344 -2.607 1.00 0.00 C ATOM 0 H LEU A 24 3.666 -9.223 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 24 3.907 -9.683 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.632 -8.906 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.364 -9.090 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 24 2.544 -11.448 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.815 -12.376 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.968 -11.037 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.231 -10.767 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.287 -12.417 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.356 -10.809 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.326 -11.109 -3.668 1.00 0.00 H new ATOM 359 N PHE A 25 2.983 -6.579 -2.528 1.00 0.00 N ATOM 360 CA PHE A 25 2.927 -5.225 -3.066 1.00 0.00 C ATOM 361 C PHE A 25 4.193 -4.900 -3.852 1.00 0.00 C ATOM 362 O PHE A 25 4.131 -4.365 -4.959 1.00 0.00 O ATOM 363 CB PHE A 25 2.740 -4.211 -1.935 1.00 0.00 C ATOM 364 CG PHE A 25 2.272 -2.865 -2.409 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.190 -2.755 -3.266 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.915 -1.709 -1.995 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.756 -1.518 -3.704 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.485 -0.469 -2.429 1.00 0.00 C ATOM 369 CZ PHE A 25 1.406 -0.373 -3.285 1.00 0.00 C ATOM 0 H PHE A 25 2.665 -6.662 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 25 2.075 -5.164 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.019 -4.606 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.685 -4.092 -1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.679 -3.647 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.761 -1.778 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.089 -1.447 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.993 0.425 -2.098 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.071 0.595 -3.626 1.00 0.00 H new ATOM 379 N LYS A 26 5.343 -5.226 -3.273 1.00 0.00 N ATOM 380 CA LYS A 26 6.625 -4.971 -3.918 1.00 0.00 C ATOM 381 C LYS A 26 6.712 -5.689 -5.260 1.00 0.00 C ATOM 382 O LYS A 26 7.199 -5.129 -6.244 1.00 0.00 O ATOM 383 CB LYS A 26 7.774 -5.422 -3.012 1.00 0.00 C ATOM 384 CG LYS A 26 8.267 -4.337 -2.069 1.00 0.00 C ATOM 385 CD LYS A 26 9.467 -4.802 -1.263 1.00 0.00 C ATOM 386 CE LYS A 26 9.069 -5.822 -0.207 1.00 0.00 C ATOM 387 NZ LYS A 26 10.247 -6.570 0.314 1.00 0.00 N ATOM 0 H LYS A 26 5.413 -5.668 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 26 6.707 -3.898 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.447 -6.281 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.605 -5.757 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.535 -3.449 -2.642 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.463 -4.049 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.208 -5.240 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.938 -3.944 -0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.568 -5.315 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.352 -6.524 -0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.021 -7.584 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.058 -6.426 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.486 -6.223 1.265 1.00 0.00 H new ATOM 401 N SER A 27 6.235 -6.928 -5.296 1.00 0.00 N ATOM 402 CA SER A 27 6.261 -7.724 -6.518 1.00 0.00 C ATOM 403 C SER A 27 5.432 -7.061 -7.614 1.00 0.00 C ATOM 404 O SER A 27 5.770 -7.137 -8.796 1.00 0.00 O ATOM 405 CB SER A 27 5.733 -9.134 -6.246 1.00 0.00 C ATOM 406 OG SER A 27 5.843 -9.950 -7.398 1.00 0.00 O ATOM 0 H SER A 27 5.825 -7.404 -4.492 1.00 0.00 H new ATOM 0 HA SER A 27 7.295 -7.791 -6.857 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.291 -9.582 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.691 -9.081 -5.932 1.00 0.00 H new ATOM 0 HG SER A 27 5.501 -10.846 -7.198 1.00 0.00 H new ATOM 412 N LEU A 28 4.345 -6.410 -7.214 1.00 0.00 N ATOM 413 CA LEU A 28 3.466 -5.733 -8.160 1.00 0.00 C ATOM 414 C LEU A 28 4.085 -4.422 -8.635 1.00 0.00 C ATOM 415 O LEU A 28 4.063 -4.108 -9.826 1.00 0.00 O ATOM 416 CB LEU A 28 2.104 -5.465 -7.520 1.00 0.00 C ATOM 417 CG LEU A 28 1.458 -6.648 -6.796 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.319 -6.172 -5.908 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.960 -7.679 -7.799 1.00 0.00 C ATOM 0 H LEU A 28 4.051 -6.337 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 28 3.332 -6.384 -9.024 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.214 -4.646 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.421 -5.123 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 28 2.211 -7.119 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.129 -7.027 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.704 -5.471 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.436 -5.676 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.503 -8.513 -7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.221 -7.220 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.798 -8.043 -8.393 1.00 0.00 H new ATOM 431 N LEU A 29 4.637 -3.661 -7.697 1.00 0.00 N ATOM 432 CA LEU A 29 5.263 -2.383 -8.019 1.00 0.00 C ATOM 433 C LEU A 29 6.619 -2.595 -8.686 1.00 0.00 C ATOM 434 O LEU A 29 7.106 -1.730 -9.414 1.00 0.00 O ATOM 435 CB LEU A 29 5.430 -1.540 -6.754 1.00 0.00 C ATOM 436 CG LEU A 29 4.255 -0.632 -6.392 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.851 0.219 -7.587 1.00 0.00 C ATOM 438 CD2 LEU A 29 3.075 -1.456 -5.898 1.00 0.00 C ATOM 0 H LEU A 29 4.664 -3.906 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 29 4.614 -1.854 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.616 -2.212 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.320 -0.921 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 29 4.569 0.033 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.013 0.859 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.694 0.837 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.556 -0.429 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.248 -0.792 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.760 -2.146 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.370 -2.021 -5.014 1.00 0.00 H new ATOM 450 N ALA A 30 7.222 -3.752 -8.433 1.00 0.00 N ATOM 451 CA ALA A 30 8.520 -4.078 -9.012 1.00 0.00 C ATOM 452 C ALA A 30 8.650 -3.515 -10.423 1.00 0.00 C ATOM 453 O ALA A 30 9.682 -2.950 -10.783 1.00 0.00 O ATOM 454 CB ALA A 30 8.728 -5.586 -9.023 1.00 0.00 C ATOM 0 H ALA A 30 6.833 -4.478 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 30 9.291 -3.619 -8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.701 -5.816 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.688 -5.966 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.945 -6.057 -9.617 1.00 0.00 H new ATOM 460 N ARG A 31 7.596 -3.671 -11.217 1.00 0.00 N ATOM 461 CA ARG A 31 7.594 -3.178 -12.590 1.00 0.00 C ATOM 462 C ARG A 31 7.749 -1.661 -12.623 1.00 0.00 C ATOM 463 O ARG A 31 8.692 -1.136 -13.214 1.00 0.00 O ATOM 464 CB ARG A 31 6.301 -3.586 -13.298 1.00 0.00 C ATOM 465 CG ARG A 31 5.043 -3.222 -12.525 1.00 0.00 C ATOM 466 CD ARG A 31 3.934 -4.236 -12.758 1.00 0.00 C ATOM 467 NE ARG A 31 2.609 -3.654 -12.560 1.00 0.00 N ATOM 468 CZ ARG A 31 1.476 -4.303 -12.805 1.00 0.00 C ATOM 469 NH1 ARG A 31 1.507 -5.549 -13.256 1.00 0.00 N ATOM 470 NH2 ARG A 31 0.310 -3.705 -12.601 1.00 0.00 N ATOM 0 H ARG A 31 6.733 -4.135 -10.934 1.00 0.00 H new ATOM 0 HA ARG A 31 8.441 -3.623 -13.111 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.267 -3.109 -14.277 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.314 -4.663 -13.468 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.271 -3.169 -11.460 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.702 -2.232 -12.828 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.009 -4.629 -13.772 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.065 -5.079 -12.079 1.00 0.00 H new ATOM 0 HE ARG A 31 2.550 -2.696 -12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.402 -6.011 -13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.636 -6.045 -13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.282 -2.746 -12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.559 -4.204 -12.790 1.00 0.00 H new ATOM 484 N ASP A 32 6.817 -0.962 -11.984 1.00 0.00 N ATOM 485 CA ASP A 32 6.850 0.495 -11.940 1.00 0.00 C ATOM 486 C ASP A 32 8.109 0.989 -11.233 1.00 0.00 C ATOM 487 O ASP A 32 8.938 1.677 -11.828 1.00 0.00 O ATOM 488 CB ASP A 32 5.607 1.033 -11.229 1.00 0.00 C ATOM 489 CG ASP A 32 4.345 0.842 -12.047 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.297 1.339 -13.191 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.405 0.194 -11.542 1.00 0.00 O ATOM 0 H ASP A 32 6.029 -1.381 -11.489 1.00 0.00 H new ATOM 0 HA ASP A 32 6.862 0.865 -12.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.494 0.529 -10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.743 2.094 -11.018 1.00 0.00 H new ATOM 496 N LEU A 33 8.245 0.633 -9.960 1.00 0.00 N ATOM 497 CA LEU A 33 9.402 1.041 -9.171 1.00 0.00 C ATOM 498 C LEU A 33 10.686 0.444 -9.739 1.00 0.00 C ATOM 499 O LEU A 33 11.786 0.865 -9.386 1.00 0.00 O ATOM 500 CB LEU A 33 9.227 0.610 -7.714 1.00 0.00 C ATOM 501 CG LEU A 33 8.079 1.272 -6.951 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.860 0.584 -5.613 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.357 2.755 -6.751 1.00 0.00 C ATOM 0 H LEU A 33 7.568 0.063 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 33 9.477 2.127 -9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.077 -0.469 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.156 0.814 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 33 7.169 1.169 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.039 1.069 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.615 -0.465 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.768 0.654 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.530 3.210 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.278 2.879 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.462 3.240 -7.722 1.00 0.00 H new ATOM 515 N ASN A 34 10.536 -0.537 -10.622 1.00 0.00 N ATOM 516 CA ASN A 34 11.684 -1.190 -11.242 1.00 0.00 C ATOM 517 C ASN A 34 12.584 -1.821 -10.184 1.00 0.00 C ATOM 518 O ASN A 34 13.811 -1.764 -10.284 1.00 0.00 O ATOM 519 CB ASN A 34 12.481 -0.185 -12.074 1.00 0.00 C ATOM 520 CG ASN A 34 11.719 0.285 -13.298 1.00 0.00 C ATOM 521 OD1 ASN A 34 10.996 1.391 -13.157 1.00 0.00 O flip ATOM 522 ND2 ASN A 34 11.780 -0.337 -14.358 1.00 0.00 N flip ATOM 0 H ASN A 34 9.631 -0.898 -10.925 1.00 0.00 H new ATOM 0 HA ASN A 34 11.314 -1.979 -11.897 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.735 0.675 -11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.421 -0.640 -12.387 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.348 -1.182 -14.422 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.263 -0.008 -15.173 1.00 0.00 H new ATOM 529 N LEU A 35 11.969 -2.424 -9.174 1.00 0.00 N ATOM 530 CA LEU A 35 12.716 -3.067 -8.098 1.00 0.00 C ATOM 531 C LEU A 35 13.468 -4.290 -8.612 1.00 0.00 C ATOM 532 O LEU A 35 13.356 -4.651 -9.783 1.00 0.00 O ATOM 533 CB LEU A 35 11.770 -3.473 -6.966 1.00 0.00 C ATOM 534 CG LEU A 35 10.860 -2.372 -6.423 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.676 -2.973 -5.682 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.640 -1.435 -5.513 1.00 0.00 C ATOM 0 H LEU A 35 10.955 -2.482 -9.077 1.00 0.00 H new ATOM 0 HA LEU A 35 13.444 -2.351 -7.716 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.144 -4.292 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.368 -3.861 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 35 10.480 -1.795 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.040 -2.173 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.102 -3.602 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.036 -3.576 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.976 -0.658 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.050 -1.999 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.454 -0.976 -6.075 1.00 0.00 H new ATOM 548 N GLU A 36 14.230 -4.924 -7.727 1.00 0.00 N ATOM 549 CA GLU A 36 15.000 -6.109 -8.093 1.00 0.00 C ATOM 550 C GLU A 36 14.341 -7.374 -7.551 1.00 0.00 C ATOM 551 O GLU A 36 14.412 -7.660 -6.355 1.00 0.00 O ATOM 552 CB GLU A 36 16.431 -5.998 -7.563 1.00 0.00 C ATOM 553 CG GLU A 36 17.361 -5.220 -8.479 1.00 0.00 C ATOM 554 CD GLU A 36 18.696 -4.911 -7.829 1.00 0.00 C ATOM 555 OE1 GLU A 36 19.530 -5.834 -7.719 1.00 0.00 O ATOM 556 OE2 GLU A 36 18.905 -3.747 -7.429 1.00 0.00 O ATOM 0 H GLU A 36 14.331 -4.638 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 36 15.027 -6.172 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.411 -5.516 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.834 -7.000 -7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.529 -5.793 -9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.879 -4.287 -8.772 1.00 0.00 H new ATOM 563 N ARG A 37 13.700 -8.127 -8.438 1.00 0.00 N ATOM 564 CA ARG A 37 13.026 -9.360 -8.049 1.00 0.00 C ATOM 565 C ARG A 37 13.973 -10.276 -7.278 1.00 0.00 C ATOM 566 O ARG A 37 13.533 -11.163 -6.545 1.00 0.00 O ATOM 567 CB ARG A 37 12.491 -10.086 -9.285 1.00 0.00 C ATOM 568 CG ARG A 37 13.538 -10.927 -9.998 1.00 0.00 C ATOM 569 CD ARG A 37 13.574 -12.347 -9.457 1.00 0.00 C ATOM 570 NE ARG A 37 12.619 -13.216 -10.138 1.00 0.00 N ATOM 571 CZ ARG A 37 12.484 -14.511 -9.874 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.240 -15.084 -8.947 1.00 0.00 N ATOM 573 NH2 ARG A 37 11.592 -15.236 -10.536 1.00 0.00 N ATOM 0 H ARG A 37 13.633 -7.905 -9.431 1.00 0.00 H new ATOM 0 HA ARG A 37 12.190 -9.099 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.662 -10.728 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.091 -9.351 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.323 -10.949 -11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.519 -10.466 -9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.579 -12.753 -9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.355 -12.334 -8.389 1.00 0.00 H new ATOM 0 HE ARG A 37 12.022 -12.806 -10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.927 -14.530 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.135 -16.078 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.008 -14.799 -11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.490 -16.230 -10.332 1.00 0.00 H new ATOM 587 N ASP A 38 15.271 -10.055 -7.448 1.00 0.00 N ATOM 588 CA ASP A 38 16.279 -10.860 -6.768 1.00 0.00 C ATOM 589 C ASP A 38 16.873 -10.100 -5.585 1.00 0.00 C ATOM 590 O ASP A 38 17.559 -10.680 -4.745 1.00 0.00 O ATOM 591 CB ASP A 38 17.387 -11.258 -7.743 1.00 0.00 C ATOM 592 CG ASP A 38 17.084 -12.554 -8.467 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.175 -13.625 -7.831 1.00 0.00 O ATOM 594 OD2 ASP A 38 16.753 -12.499 -9.670 1.00 0.00 O ATOM 0 H ASP A 38 15.651 -9.325 -8.051 1.00 0.00 H new ATOM 0 HA ASP A 38 15.796 -11.762 -6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.527 -10.461 -8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.326 -11.360 -7.199 1.00 0.00 H new ATOM 599 N ASN A 39 16.606 -8.799 -5.530 1.00 0.00 N ATOM 600 CA ASN A 39 17.116 -7.960 -4.451 1.00 0.00 C ATOM 601 C ASN A 39 16.012 -7.074 -3.883 1.00 0.00 C ATOM 602 O ASN A 39 16.272 -5.970 -3.409 1.00 0.00 O ATOM 603 CB ASN A 39 18.272 -7.095 -4.955 1.00 0.00 C ATOM 604 CG ASN A 39 19.277 -6.780 -3.863 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.655 -5.625 -3.666 1.00 0.00 O ATOM 606 ND2 ASN A 39 19.715 -7.810 -3.147 1.00 0.00 N ATOM 0 H ASN A 39 16.040 -8.303 -6.219 1.00 0.00 H new ATOM 0 HA ASN A 39 17.478 -8.612 -3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.777 -7.609 -5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.876 -6.164 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.392 -7.660 -2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.374 -8.751 -3.345 1.00 0.00 H new ATOM 613 N GLN A 40 14.779 -7.568 -3.935 1.00 0.00 N ATOM 614 CA GLN A 40 13.635 -6.820 -3.426 1.00 0.00 C ATOM 615 C GLN A 40 13.437 -7.076 -1.936 1.00 0.00 C ATOM 616 O GLN A 40 12.678 -6.372 -1.272 1.00 0.00 O ATOM 617 CB GLN A 40 12.367 -7.200 -4.194 1.00 0.00 C ATOM 618 CG GLN A 40 12.118 -6.337 -5.420 1.00 0.00 C ATOM 619 CD GLN A 40 11.382 -7.082 -6.517 1.00 0.00 C ATOM 620 OE1 GLN A 40 11.663 -6.899 -7.703 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.435 -7.927 -6.128 1.00 0.00 N ATOM 0 H GLN A 40 14.547 -8.482 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 40 13.834 -5.758 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.438 -8.243 -4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.510 -7.123 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.540 -5.459 -5.131 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.072 -5.977 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.235 -8.047 -5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.907 -8.456 -6.822 1.00 0.00 H new ATOM 630 N GLU A 41 14.126 -8.089 -1.418 1.00 0.00 N ATOM 631 CA GLU A 41 14.023 -8.438 -0.006 1.00 0.00 C ATOM 632 C GLU A 41 14.675 -7.371 0.867 1.00 0.00 C ATOM 633 O GLU A 41 14.305 -7.192 2.028 1.00 0.00 O ATOM 634 CB GLU A 41 14.678 -9.796 0.255 1.00 0.00 C ATOM 635 CG GLU A 41 16.174 -9.812 -0.008 1.00 0.00 C ATOM 636 CD GLU A 41 16.705 -11.206 -0.276 1.00 0.00 C ATOM 637 OE1 GLU A 41 16.550 -12.079 0.603 1.00 0.00 O ATOM 638 OE2 GLU A 41 17.276 -11.424 -1.366 1.00 0.00 O ATOM 0 H GLU A 41 14.760 -8.681 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 41 12.965 -8.497 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.497 -10.084 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.199 -10.547 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.396 -9.173 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.694 -9.388 0.851 1.00 0.00 H new ATOM 645 N GLN A 42 15.649 -6.665 0.300 1.00 0.00 N ATOM 646 CA GLN A 42 16.354 -5.616 1.028 1.00 0.00 C ATOM 647 C GLN A 42 15.478 -4.376 1.180 1.00 0.00 C ATOM 648 O GLN A 42 15.492 -3.719 2.221 1.00 0.00 O ATOM 649 CB GLN A 42 17.654 -5.252 0.307 1.00 0.00 C ATOM 650 CG GLN A 42 17.499 -5.128 -1.200 1.00 0.00 C ATOM 651 CD GLN A 42 18.559 -4.242 -1.824 1.00 0.00 C ATOM 652 OE1 GLN A 42 18.243 -3.663 -2.977 1.00 0.00 O flip ATOM 653 NE2 GLN A 42 19.650 -4.078 -1.276 1.00 0.00 N flip ATOM 0 H GLN A 42 15.967 -6.800 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 42 16.592 -5.994 2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.028 -4.309 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.406 -6.010 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.549 -6.120 -1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.513 -4.724 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 42 19.851 -4.542 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 42 20.353 -3.478 -1.708 1.00 0.00 H new ATOM 662 N TYR A 43 14.719 -4.063 0.136 1.00 0.00 N ATOM 663 CA TYR A 43 13.839 -2.900 0.153 1.00 0.00 C ATOM 664 C TYR A 43 12.842 -2.989 1.303 1.00 0.00 C ATOM 665 O TYR A 43 11.989 -3.877 1.335 1.00 0.00 O ATOM 666 CB TYR A 43 13.093 -2.780 -1.177 1.00 0.00 C ATOM 667 CG TYR A 43 13.981 -2.386 -2.336 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.932 -1.382 -2.198 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.869 -3.017 -3.568 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.744 -1.018 -3.254 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.678 -2.660 -4.629 1.00 0.00 C ATOM 672 CZ TYR A 43 15.614 -1.660 -4.468 1.00 0.00 C ATOM 673 OH TYR A 43 16.421 -1.301 -5.523 1.00 0.00 O ATOM 0 H TYR A 43 14.695 -4.598 -0.732 1.00 0.00 H new ATOM 0 HA TYR A 43 14.454 -2.012 0.298 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.616 -3.733 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.297 -2.042 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.038 -0.878 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.137 -3.800 -3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.477 -0.235 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.578 -3.162 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 43 16.202 -1.851 -6.304 1.00 0.00 H new ATOM 683 N THR A 44 12.953 -2.060 2.248 1.00 0.00 N ATOM 684 CA THR A 44 12.061 -2.032 3.400 1.00 0.00 C ATOM 685 C THR A 44 10.843 -1.154 3.133 1.00 0.00 C ATOM 686 O THR A 44 10.768 -0.473 2.110 1.00 0.00 O ATOM 687 CB THR A 44 12.786 -1.515 4.658 1.00 0.00 C ATOM 688 OG1 THR A 44 13.365 -0.232 4.397 1.00 0.00 O ATOM 689 CG2 THR A 44 13.870 -2.488 5.096 1.00 0.00 C ATOM 0 H THR A 44 13.652 -1.317 2.238 1.00 0.00 H new ATOM 0 HA THR A 44 11.735 -3.058 3.572 1.00 0.00 H new ATOM 0 HB THR A 44 12.055 -1.426 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.822 0.090 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.368 -2.102 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.421 -3.455 5.322 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.599 -2.605 4.294 1.00 0.00 H new ATOM 697 N THR A 45 9.890 -1.175 4.059 1.00 0.00 N ATOM 698 CA THR A 45 8.675 -0.382 3.923 1.00 0.00 C ATOM 699 C THR A 45 9.002 1.086 3.672 1.00 0.00 C ATOM 700 O THR A 45 8.248 1.794 3.003 1.00 0.00 O ATOM 701 CB THR A 45 7.789 -0.491 5.178 1.00 0.00 C ATOM 702 OG1 THR A 45 8.602 -0.459 6.357 1.00 0.00 O ATOM 703 CG2 THR A 45 6.973 -1.775 5.154 1.00 0.00 C ATOM 0 H THR A 45 9.936 -1.733 4.912 1.00 0.00 H new ATOM 0 HA THR A 45 8.131 -0.782 3.067 1.00 0.00 H new ATOM 0 HB THR A 45 7.104 0.357 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.054 -0.680 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.355 -1.830 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.334 -1.783 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.645 -2.633 5.123 1.00 0.00 H new ATOM 711 N ILE A 46 10.130 1.537 4.210 1.00 0.00 N ATOM 712 CA ILE A 46 10.557 2.921 4.043 1.00 0.00 C ATOM 713 C ILE A 46 11.117 3.157 2.645 1.00 0.00 C ATOM 714 O ILE A 46 10.557 3.924 1.862 1.00 0.00 O ATOM 715 CB ILE A 46 11.622 3.311 5.084 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.103 3.049 6.500 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.014 4.772 4.919 1.00 0.00 C ATOM 718 CD1 ILE A 46 11.344 1.635 6.979 1.00 0.00 C ATOM 0 H ILE A 46 10.765 0.964 4.766 1.00 0.00 H new ATOM 0 HA ILE A 46 9.675 3.544 4.189 1.00 0.00 H new ATOM 0 HB ILE A 46 12.508 2.697 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.583 3.744 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.034 3.257 6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.768 5.033 5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.420 4.929 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.135 5.402 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.951 1.521 7.989 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.841 0.934 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.414 1.429 6.981 1.00 0.00 H new ATOM 730 N GLN A 47 12.226 2.491 2.337 1.00 0.00 N ATOM 731 CA GLN A 47 12.861 2.628 1.032 1.00 0.00 C ATOM 732 C GLN A 47 11.836 2.503 -0.089 1.00 0.00 C ATOM 733 O GLN A 47 11.928 3.187 -1.109 1.00 0.00 O ATOM 734 CB GLN A 47 13.954 1.573 0.860 1.00 0.00 C ATOM 735 CG GLN A 47 15.045 1.648 1.917 1.00 0.00 C ATOM 736 CD GLN A 47 16.382 1.138 1.414 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.863 1.557 0.360 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.989 0.228 2.166 1.00 0.00 N ATOM 0 H GLN A 47 12.703 1.852 2.973 1.00 0.00 H new ATOM 0 HA GLN A 47 13.311 3.619 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.499 0.583 0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.406 1.687 -0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.155 2.681 2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.743 1.066 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.554 -0.091 3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.890 -0.153 1.878 1.00 0.00 H new ATOM 747 N ILE A 48 10.858 1.623 0.106 1.00 0.00 N ATOM 748 CA ILE A 48 9.814 1.408 -0.889 1.00 0.00 C ATOM 749 C ILE A 48 8.836 2.577 -0.920 1.00 0.00 C ATOM 750 O ILE A 48 8.345 2.961 -1.981 1.00 0.00 O ATOM 751 CB ILE A 48 9.035 0.108 -0.616 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.947 -1.107 -0.804 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.824 0.015 -1.530 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.332 -1.355 -2.245 1.00 0.00 C ATOM 0 H ILE A 48 10.767 1.048 0.944 1.00 0.00 H new ATOM 0 HA ILE A 48 10.311 1.327 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 48 8.686 0.120 0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.852 -0.967 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.445 -1.992 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.284 -0.909 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.167 0.866 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.151 0.021 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.978 -2.231 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.433 -1.527 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.862 -0.486 -2.635 1.00 0.00 H new ATOM 766 N ALA A 49 8.557 3.140 0.251 1.00 0.00 N ATOM 767 CA ALA A 49 7.640 4.267 0.358 1.00 0.00 C ATOM 768 C ALA A 49 8.229 5.517 -0.289 1.00 0.00 C ATOM 769 O ALA A 49 7.657 6.067 -1.230 1.00 0.00 O ATOM 770 CB ALA A 49 7.301 4.536 1.817 1.00 0.00 C ATOM 0 H ALA A 49 8.954 2.833 1.139 1.00 0.00 H new ATOM 0 HA ALA A 49 6.724 4.010 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.615 5.381 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.831 3.653 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.214 4.767 2.366 1.00 0.00 H new ATOM 776 N ASN A 50 9.373 5.959 0.221 1.00 0.00 N ATOM 777 CA ASN A 50 10.037 7.145 -0.306 1.00 0.00 C ATOM 778 C ASN A 50 9.984 7.165 -1.831 1.00 0.00 C ATOM 779 O ASN A 50 9.573 8.155 -2.435 1.00 0.00 O ATOM 780 CB ASN A 50 11.492 7.192 0.165 1.00 0.00 C ATOM 781 CG ASN A 50 11.608 7.429 1.658 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.677 6.347 2.425 1.00 0.00 O flip ATOM 783 ND2 ASN A 50 11.636 8.571 2.117 1.00 0.00 N flip ATOM 0 H ASN A 50 9.860 5.514 0.999 1.00 0.00 H new ATOM 0 HA ASN A 50 9.512 8.023 0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.984 6.254 -0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.018 7.984 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.580 9.374 1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.715 8.714 3.124 1.00 0.00 H new ATOM 790 N MET A 51 10.403 6.064 -2.447 1.00 0.00 N ATOM 791 CA MET A 51 10.401 5.954 -3.901 1.00 0.00 C ATOM 792 C MET A 51 9.024 6.277 -4.469 1.00 0.00 C ATOM 793 O MET A 51 8.886 7.139 -5.337 1.00 0.00 O ATOM 794 CB MET A 51 10.824 4.548 -4.328 1.00 0.00 C ATOM 795 CG MET A 51 12.325 4.316 -4.254 1.00 0.00 C ATOM 796 SD MET A 51 12.886 3.032 -5.389 1.00 0.00 S ATOM 797 CE MET A 51 13.107 1.657 -4.262 1.00 0.00 C ATOM 0 H MET A 51 10.748 5.236 -1.962 1.00 0.00 H new ATOM 0 HA MET A 51 11.116 6.676 -4.295 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.320 3.818 -3.695 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.487 4.371 -5.349 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.844 5.247 -4.480 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.596 4.039 -3.235 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.453 0.784 -4.816 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.845 1.922 -3.505 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.158 1.427 -3.778 1.00 0.00 H new ATOM 807 N MET A 52 8.005 5.581 -3.973 1.00 0.00 N ATOM 808 CA MET A 52 6.637 5.796 -4.432 1.00 0.00 C ATOM 809 C MET A 52 6.223 7.252 -4.244 1.00 0.00 C ATOM 810 O MET A 52 5.728 7.889 -5.174 1.00 0.00 O ATOM 811 CB MET A 52 5.674 4.879 -3.675 1.00 0.00 C ATOM 812 CG MET A 52 5.724 3.431 -4.138 1.00 0.00 C ATOM 813 SD MET A 52 4.390 2.435 -3.447 1.00 0.00 S ATOM 814 CE MET A 52 3.114 2.674 -4.682 1.00 0.00 C ATOM 0 H MET A 52 8.101 4.864 -3.254 1.00 0.00 H new ATOM 0 HA MET A 52 6.595 5.559 -5.495 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.907 4.920 -2.611 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.658 5.255 -3.794 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.670 3.399 -5.226 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.682 2.996 -3.854 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.157 2.334 -4.287 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.047 3.732 -4.936 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.361 2.101 -5.576 1.00 0.00 H new ATOM 824 N GLU A 53 6.431 7.772 -3.039 1.00 0.00 N ATOM 825 CA GLU A 53 6.077 9.153 -2.731 1.00 0.00 C ATOM 826 C GLU A 53 6.528 10.091 -3.849 1.00 0.00 C ATOM 827 O GLU A 53 5.960 11.166 -4.035 1.00 0.00 O ATOM 828 CB GLU A 53 6.709 9.582 -1.406 1.00 0.00 C ATOM 829 CG GLU A 53 5.827 9.315 -0.197 1.00 0.00 C ATOM 830 CD GLU A 53 4.645 10.262 -0.118 1.00 0.00 C ATOM 831 OE1 GLU A 53 4.679 11.311 -0.795 1.00 0.00 O ATOM 832 OE2 GLU A 53 3.687 9.955 0.622 1.00 0.00 O ATOM 0 H GLU A 53 6.843 7.258 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 53 4.992 9.213 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.656 9.057 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.938 10.647 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.463 8.288 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.423 9.407 0.711 1.00 0.00 H new ATOM 839 N GLU A 54 7.552 9.673 -4.587 1.00 0.00 N ATOM 840 CA GLU A 54 8.079 10.477 -5.683 1.00 0.00 C ATOM 841 C GLU A 54 7.462 10.054 -7.013 1.00 0.00 C ATOM 842 O GLU A 54 6.984 10.887 -7.783 1.00 0.00 O ATOM 843 CB GLU A 54 9.603 10.349 -5.752 1.00 0.00 C ATOM 844 CG GLU A 54 10.163 10.493 -7.157 1.00 0.00 C ATOM 845 CD GLU A 54 11.556 11.090 -7.171 1.00 0.00 C ATOM 846 OE1 GLU A 54 11.710 12.248 -6.730 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.493 10.400 -7.625 1.00 0.00 O ATOM 0 H GLU A 54 8.032 8.784 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 54 7.817 11.518 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.052 11.108 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.896 9.379 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.186 9.515 -7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.496 11.122 -7.747 1.00 0.00 H new ATOM 854 N LYS A 55 7.476 8.751 -7.277 1.00 0.00 N ATOM 855 CA LYS A 55 6.919 8.214 -8.512 1.00 0.00 C ATOM 856 C LYS A 55 5.544 8.813 -8.794 1.00 0.00 C ATOM 857 O LYS A 55 5.344 9.483 -9.808 1.00 0.00 O ATOM 858 CB LYS A 55 6.815 6.689 -8.429 1.00 0.00 C ATOM 859 CG LYS A 55 8.112 5.973 -8.763 1.00 0.00 C ATOM 860 CD LYS A 55 8.328 5.882 -10.265 1.00 0.00 C ATOM 861 CE LYS A 55 7.430 4.830 -10.895 1.00 0.00 C ATOM 862 NZ LYS A 55 7.314 5.010 -12.369 1.00 0.00 N ATOM 0 H LYS A 55 7.868 8.048 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 55 7.588 8.482 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.503 6.408 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.036 6.349 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.949 6.501 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.096 4.971 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.129 6.852 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.371 5.641 -10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.827 3.838 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.439 4.881 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.693 4.273 -12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.911 5.947 -12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.256 4.936 -12.803 1.00 0.00 H new ATOM 876 N PHE A 56 4.601 8.569 -7.891 1.00 0.00 N ATOM 877 CA PHE A 56 3.245 9.084 -8.042 1.00 0.00 C ATOM 878 C PHE A 56 2.984 10.223 -7.061 1.00 0.00 C ATOM 879 O PHE A 56 2.435 10.029 -5.977 1.00 0.00 O ATOM 880 CB PHE A 56 2.224 7.965 -7.826 1.00 0.00 C ATOM 881 CG PHE A 56 2.734 6.607 -8.211 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.614 6.150 -9.514 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.334 5.784 -7.270 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.081 4.899 -9.870 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.803 4.533 -7.621 1.00 0.00 C ATOM 886 CZ PHE A 56 3.678 4.090 -8.923 1.00 0.00 C ATOM 0 H PHE A 56 4.751 8.017 -7.046 1.00 0.00 H new ATOM 0 HA PHE A 56 3.140 9.470 -9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.930 7.950 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.327 8.185 -8.405 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.150 6.779 -10.260 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.436 6.125 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.979 4.554 -10.888 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.267 3.902 -6.878 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.046 3.113 -9.200 1.00 0.00 H new ATOM 896 N PRO A 57 3.387 11.443 -7.450 1.00 0.00 N ATOM 897 CA PRO A 57 3.208 12.637 -6.621 1.00 0.00 C ATOM 898 C PRO A 57 1.744 13.050 -6.507 1.00 0.00 C ATOM 899 O PRO A 57 1.422 14.062 -5.887 1.00 0.00 O ATOM 900 CB PRO A 57 4.010 13.708 -7.364 1.00 0.00 C ATOM 901 CG PRO A 57 4.031 13.250 -8.781 1.00 0.00 C ATOM 902 CD PRO A 57 4.049 11.748 -8.729 1.00 0.00 C ATOM 0 HA PRO A 57 3.537 12.474 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.542 14.688 -7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.019 13.797 -6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.156 13.612 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.908 13.633 -9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.515 11.310 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.066 11.357 -8.758 1.00 0.00 H new ATOM 910 N ALA A 58 0.863 12.259 -7.110 1.00 0.00 N ATOM 911 CA ALA A 58 -0.567 12.542 -7.074 1.00 0.00 C ATOM 912 C ALA A 58 -1.216 11.933 -5.836 1.00 0.00 C ATOM 913 O ALA A 58 -1.821 12.640 -5.029 1.00 0.00 O ATOM 914 CB ALA A 58 -1.240 12.019 -8.335 1.00 0.00 C ATOM 0 H ALA A 58 1.114 11.418 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.697 13.623 -7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.307 12.237 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.803 12.504 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.092 10.941 -8.406 1.00 0.00 H new ATOM 920 N ASP A 59 -1.086 10.619 -5.690 1.00 0.00 N ATOM 921 CA ASP A 59 -1.659 9.915 -4.549 1.00 0.00 C ATOM 922 C ASP A 59 -0.564 9.407 -3.617 1.00 0.00 C ATOM 923 O ASP A 59 -0.844 8.921 -2.521 1.00 0.00 O ATOM 924 CB ASP A 59 -2.524 8.747 -5.025 1.00 0.00 C ATOM 925 CG ASP A 59 -2.010 8.132 -6.312 1.00 0.00 C ATOM 926 OD1 ASP A 59 -0.820 7.754 -6.354 1.00 0.00 O ATOM 927 OD2 ASP A 59 -2.797 8.028 -7.275 1.00 0.00 O ATOM 0 H ASP A 59 -0.588 10.019 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.283 10.618 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.557 7.983 -4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.547 9.093 -5.174 1.00 0.00 H new ATOM 932 N SER A 60 0.683 9.520 -4.062 1.00 0.00 N ATOM 933 CA SER A 60 1.821 9.068 -3.270 1.00 0.00 C ATOM 934 C SER A 60 1.765 7.559 -3.051 1.00 0.00 C ATOM 935 O SER A 60 2.277 7.045 -2.058 1.00 0.00 O ATOM 936 CB SER A 60 1.851 9.789 -1.921 1.00 0.00 C ATOM 937 OG SER A 60 1.712 11.189 -2.089 1.00 0.00 O ATOM 0 H SER A 60 0.931 9.921 -4.967 1.00 0.00 H new ATOM 0 HA SER A 60 2.731 9.305 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.048 9.414 -1.287 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.789 9.572 -1.410 1.00 0.00 H new ATOM 0 HG SER A 60 1.733 11.627 -1.213 1.00 0.00 H new ATOM 943 N GLY A 61 1.137 6.854 -3.989 1.00 0.00 N ATOM 944 CA GLY A 61 1.024 5.412 -3.880 1.00 0.00 C ATOM 945 C GLY A 61 -0.203 4.982 -3.102 1.00 0.00 C ATOM 946 O GLY A 61 -0.521 3.794 -3.033 1.00 0.00 O ATOM 0 H GLY A 61 0.705 7.256 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.987 4.977 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.916 5.017 -3.393 1.00 0.00 H new ATOM 950 N LEU A 62 -0.895 5.951 -2.511 1.00 0.00 N ATOM 951 CA LEU A 62 -2.095 5.667 -1.731 1.00 0.00 C ATOM 952 C LEU A 62 -3.053 4.773 -2.511 1.00 0.00 C ATOM 953 O LEU A 62 -3.376 3.667 -2.082 1.00 0.00 O ATOM 954 CB LEU A 62 -2.795 6.970 -1.343 1.00 0.00 C ATOM 955 CG LEU A 62 -4.241 6.838 -0.862 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.304 6.017 0.417 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.858 8.213 -0.647 1.00 0.00 C ATOM 0 H LEU A 62 -0.646 6.939 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.794 5.141 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.214 7.451 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.779 7.638 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.815 6.320 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.340 5.933 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.901 5.022 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.716 6.507 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.887 8.101 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.283 8.756 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.846 8.768 -1.585 1.00 0.00 H new ATOM 969 N GLY A 63 -3.505 5.262 -3.662 1.00 0.00 N ATOM 970 CA GLY A 63 -4.421 4.494 -4.486 1.00 0.00 C ATOM 971 C GLY A 63 -3.896 3.107 -4.799 1.00 0.00 C ATOM 972 O GLY A 63 -4.551 2.107 -4.507 1.00 0.00 O ATOM 0 H GLY A 63 -3.253 6.176 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.380 4.409 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.602 5.029 -5.418 1.00 0.00 H new ATOM 976 N LYS A 64 -2.711 3.047 -5.397 1.00 0.00 N ATOM 977 CA LYS A 64 -2.097 1.772 -5.752 1.00 0.00 C ATOM 978 C LYS A 64 -2.168 0.792 -4.586 1.00 0.00 C ATOM 979 O LYS A 64 -2.419 -0.399 -4.776 1.00 0.00 O ATOM 980 CB LYS A 64 -0.639 1.983 -6.167 1.00 0.00 C ATOM 981 CG LYS A 64 0.020 0.735 -6.728 1.00 0.00 C ATOM 982 CD LYS A 64 -0.228 0.596 -8.221 1.00 0.00 C ATOM 983 CE LYS A 64 0.818 1.345 -9.032 1.00 0.00 C ATOM 984 NZ LYS A 64 0.435 1.453 -10.467 1.00 0.00 N ATOM 0 H LYS A 64 -2.156 3.866 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.650 1.351 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.594 2.775 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.070 2.327 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.093 0.772 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.364 -0.144 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.217 -0.459 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.220 0.978 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.953 2.343 -8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.777 0.833 -8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.174 1.970 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.331 0.500 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.467 1.964 -10.548 1.00 0.00 H new ATOM 998 N LEU A 65 -1.945 1.299 -3.378 1.00 0.00 N ATOM 999 CA LEU A 65 -1.984 0.467 -2.180 1.00 0.00 C ATOM 1000 C LEU A 65 -3.412 0.035 -1.864 1.00 0.00 C ATOM 1001 O LEU A 65 -3.664 -1.128 -1.545 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.394 1.225 -0.989 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.399 0.483 0.347 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.786 0.509 0.967 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.920 -0.950 0.164 1.00 0.00 C ATOM 0 H LEU A 65 -1.735 2.282 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.386 -0.425 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.365 1.494 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.947 2.156 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.712 0.990 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.770 -0.024 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.090 1.542 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.495 0.028 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.930 -1.463 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.581 -1.469 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.095 -0.946 -0.234 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.345 0.977 -1.958 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.748 0.692 -1.685 1.00 0.00 C ATOM 1019 C ILE A 66 -6.226 -0.521 -2.475 1.00 0.00 C ATOM 1020 O ILE A 66 -6.731 -1.485 -1.904 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.644 1.899 -2.026 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.490 2.991 -0.966 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.096 1.464 -2.140 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.891 4.366 -1.453 1.00 0.00 C ATOM 0 H ILE A 66 -4.154 1.944 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.826 0.481 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.331 2.306 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.095 2.731 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.452 3.020 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.717 2.327 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.191 0.717 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.423 1.035 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.756 5.090 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.269 4.647 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.937 4.353 -1.758 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.061 -0.464 -3.793 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.475 -1.560 -4.662 1.00 0.00 C ATOM 1038 C GLU A 67 -5.884 -2.884 -4.187 1.00 0.00 C ATOM 1039 O GLU A 67 -6.589 -3.887 -4.075 1.00 0.00 O ATOM 1040 CB GLU A 67 -6.047 -1.286 -6.105 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.619 0.000 -6.676 1.00 0.00 C ATOM 1042 CD GLU A 67 -7.964 -0.205 -7.345 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -8.957 -0.436 -6.625 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -8.023 -0.135 -8.591 1.00 0.00 O ATOM 0 H GLU A 67 -5.644 0.328 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.562 -1.632 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.959 -1.241 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.358 -2.122 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.723 0.733 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.917 0.415 -7.399 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.585 -2.879 -3.909 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.897 -4.080 -3.448 1.00 0.00 C ATOM 1053 C PHE A 68 -4.615 -4.691 -2.248 1.00 0.00 C ATOM 1054 O PHE A 68 -4.672 -5.912 -2.101 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.449 -3.754 -3.078 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.730 -4.889 -2.408 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.273 -5.969 -3.147 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.513 -4.879 -1.040 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.612 -7.017 -2.534 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.851 -5.923 -0.422 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.401 -6.994 -1.170 1.00 0.00 C ATOM 0 H PHE A 68 -3.987 -2.057 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.902 -4.806 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.906 -3.474 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.438 -2.887 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.435 -5.992 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.865 -4.046 -0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.261 -7.853 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.686 -5.902 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.115 -7.812 -0.688 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.162 -3.833 -1.393 1.00 0.00 N ATOM 1072 CA CYS A 69 -5.875 -4.287 -0.205 1.00 0.00 C ATOM 1073 C CYS A 69 -7.266 -4.797 -0.568 1.00 0.00 C ATOM 1074 O CYS A 69 -7.831 -5.637 0.131 1.00 0.00 O ATOM 1075 CB CYS A 69 -5.985 -3.152 0.814 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.429 -2.751 1.643 1.00 0.00 S ATOM 0 H CYS A 69 -5.125 -2.819 -1.501 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.310 -5.108 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.356 -2.260 0.309 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.725 -3.424 1.566 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.623 -1.778 2.484 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.811 -4.284 -1.666 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.137 -4.686 -2.120 1.00 0.00 C ATOM 1084 C GLU A 70 -9.130 -6.132 -2.610 1.00 0.00 C ATOM 1085 O GLU A 70 -9.849 -6.979 -2.083 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.622 -3.759 -3.238 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.134 -2.420 -2.738 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.605 -2.457 -2.371 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.380 -3.118 -3.094 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -11.980 -1.825 -1.362 1.00 0.00 O ATOM 0 H GLU A 70 -7.355 -3.589 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.820 -4.611 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.803 -3.587 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.416 -4.258 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.554 -2.116 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.974 -1.664 -3.507 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.310 -6.402 -3.621 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.210 -7.744 -4.183 1.00 0.00 C ATOM 1099 C GLU A 71 -8.233 -8.799 -3.080 1.00 0.00 C ATOM 1100 O GLU A 71 -8.765 -9.894 -3.264 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.928 -7.881 -5.008 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.702 -8.221 -4.176 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.474 -8.480 -5.026 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -4.468 -8.063 -6.203 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.519 -9.100 -4.514 1.00 0.00 O ATOM 0 H GLU A 71 -7.707 -5.711 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.071 -7.903 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.072 -8.656 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.747 -6.948 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.496 -7.402 -3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.912 -9.102 -3.570 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.652 -8.461 -1.934 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.605 -9.377 -0.800 1.00 0.00 C ATOM 1114 C VAL A 72 -8.771 -9.132 0.152 1.00 0.00 C ATOM 1115 O VAL A 72 -9.019 -8.011 0.594 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.284 -9.241 -0.022 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.017 -10.492 0.800 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.131 -8.963 -0.975 1.00 0.00 C ATOM 0 H VAL A 72 -7.207 -7.559 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.676 -10.386 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.371 -8.397 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.079 -10.377 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.831 -10.642 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.950 -11.355 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.205 -8.870 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.040 -9.784 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.321 -8.035 -1.515 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.505 -10.207 0.476 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.657 -10.135 1.381 1.00 0.00 C ATOM 1130 C PRO A 73 -10.245 -9.859 2.822 1.00 0.00 C ATOM 1131 O PRO A 73 -11.073 -9.485 3.654 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.288 -11.524 1.261 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.169 -12.415 0.847 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.268 -11.575 -0.014 1.00 0.00 C ATOM 0 HA PRO A 73 -11.332 -9.321 1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.720 -11.846 2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.092 -11.531 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.633 -12.798 1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.541 -13.279 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.223 -11.865 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.517 -11.672 -1.071 1.00 0.00 H new ATOM 1142 N ALA A 74 -8.962 -10.046 3.112 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.440 -9.815 4.454 1.00 0.00 C ATOM 1144 C ALA A 74 -7.934 -8.384 4.607 1.00 0.00 C ATOM 1145 O ALA A 74 -7.724 -7.905 5.722 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.329 -10.806 4.766 1.00 0.00 C ATOM 0 H ALA A 74 -8.264 -10.357 2.436 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.253 -9.963 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.949 -10.622 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.720 -11.822 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.521 -10.686 4.045 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.739 -7.707 3.481 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.257 -6.330 3.490 1.00 0.00 C ATOM 1154 C LEU A 75 -8.370 -5.360 3.106 1.00 0.00 C ATOM 1155 O LEU A 75 -8.276 -4.160 3.360 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.076 -6.176 2.529 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.798 -6.921 2.913 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.680 -6.604 1.931 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.379 -6.568 4.332 1.00 0.00 C ATOM 0 H LEU A 75 -7.907 -8.089 2.550 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.928 -6.093 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.389 -6.517 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.842 -5.115 2.440 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.999 -7.992 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.778 -7.143 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.979 -6.909 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.481 -5.532 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.467 -7.108 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.197 -5.496 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.172 -6.847 5.026 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.424 -5.890 2.493 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.556 -5.072 2.075 1.00 0.00 C ATOM 1173 C ARG A 76 -11.004 -4.147 3.203 1.00 0.00 C ATOM 1174 O ARG A 76 -11.097 -2.932 3.025 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.721 -5.961 1.637 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.694 -6.316 0.159 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.936 -7.091 -0.250 1.00 0.00 C ATOM 1178 NE ARG A 76 -12.753 -7.787 -1.522 1.00 0.00 N ATOM 1179 CZ ARG A 76 -13.689 -8.540 -2.088 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -14.866 -8.695 -1.500 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -13.447 -9.141 -3.247 1.00 0.00 N ATOM 0 H ARG A 76 -9.517 -6.882 2.275 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.238 -4.460 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.706 -6.880 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.659 -5.454 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.621 -5.404 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.806 -6.909 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.184 -7.814 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.781 -6.407 -0.329 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.858 -7.689 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.056 -8.235 -0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.582 -9.274 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.542 -9.024 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.166 -9.719 -3.682 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.282 -4.729 4.365 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.720 -3.960 5.522 1.00 0.00 C ATOM 1197 C LYS A 77 -10.835 -2.734 5.726 1.00 0.00 C ATOM 1198 O LYS A 77 -11.282 -1.714 6.252 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.697 -4.832 6.779 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.218 -4.126 8.019 1.00 0.00 C ATOM 1201 CD LYS A 77 -13.737 -4.118 8.059 1.00 0.00 C ATOM 1202 CE LYS A 77 -14.258 -3.350 9.265 1.00 0.00 C ATOM 1203 NZ LYS A 77 -13.856 -3.992 10.547 1.00 0.00 N ATOM 0 H LYS A 77 -11.211 -5.733 4.530 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.741 -3.625 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.295 -5.726 6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.675 -5.164 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.832 -4.621 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.847 -3.101 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.124 -3.668 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.107 -5.143 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.879 -2.328 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -15.345 -3.289 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.353 -3.532 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.105 -5.001 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.829 -3.892 10.678 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.578 -2.839 5.306 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.632 -1.738 5.442 1.00 0.00 C ATOM 1219 C ARG A 78 -8.793 -0.739 4.301 1.00 0.00 C ATOM 1220 O ARG A 78 -8.806 0.472 4.521 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.198 -2.272 5.469 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.207 -1.319 6.117 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.407 -1.247 7.623 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.031 -2.493 8.286 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.468 -2.845 9.489 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -7.291 -2.050 10.159 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.081 -3.996 10.026 1.00 0.00 N ATOM 0 H ARG A 78 -9.191 -3.676 4.869 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.840 -1.226 6.381 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.182 -3.220 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.877 -2.479 4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.190 -1.646 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.321 -0.325 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.814 -0.427 8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.451 -1.022 7.840 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.398 -3.127 7.798 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.590 -1.165 9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.625 -2.324 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.448 -4.610 9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.417 -4.266 10.950 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.914 -1.253 3.082 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.075 -0.406 1.907 1.00 0.00 C ATOM 1243 C ALA A 79 -10.219 0.584 2.097 1.00 0.00 C ATOM 1244 O ALA A 79 -10.048 1.788 1.905 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.313 -1.259 0.670 1.00 0.00 C ATOM 0 H ALA A 79 -8.904 -2.253 2.882 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.155 0.163 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.432 -0.613 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.462 -1.922 0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.216 -1.853 0.806 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.385 0.069 2.475 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.558 0.909 2.689 1.00 0.00 C ATOM 1253 C GLU A 80 -12.251 2.028 3.680 1.00 0.00 C ATOM 1254 O GLU A 80 -12.846 3.104 3.621 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.729 0.067 3.199 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.578 -0.375 4.645 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.169 0.620 5.624 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -14.306 1.805 5.256 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.494 0.214 6.760 1.00 0.00 O ATOM 0 H GLU A 80 -11.542 -0.925 2.639 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.832 1.358 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.650 0.642 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.833 -0.815 2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.063 -1.342 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.521 -0.516 4.869 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.320 1.765 4.591 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.934 2.749 5.594 1.00 0.00 C ATOM 1268 C ILE A 81 -10.006 3.804 5.001 1.00 0.00 C ATOM 1269 O ILE A 81 -10.046 4.972 5.391 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.236 2.085 6.795 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.227 1.216 7.573 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.623 3.140 7.703 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.600 0.469 8.728 1.00 0.00 C ATOM 0 H ILE A 81 -10.819 0.879 4.655 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.852 3.227 5.936 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.436 1.446 6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.030 1.847 7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.681 0.498 6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.134 2.654 8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.889 3.720 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.406 3.803 8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.361 -0.126 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.816 -0.189 8.353 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.170 1.182 9.432 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.171 3.386 4.056 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.233 4.295 3.406 1.00 0.00 C ATOM 1287 C LEU A 82 -8.967 5.288 2.512 1.00 0.00 C ATOM 1288 O LEU A 82 -8.607 6.464 2.443 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.214 3.505 2.583 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.459 2.404 3.327 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.750 1.485 2.344 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.465 3.008 4.308 1.00 0.00 C ATOM 0 H LEU A 82 -9.124 2.423 3.723 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.709 4.853 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.732 3.054 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.485 4.205 2.175 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.180 1.812 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.218 0.707 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.484 1.025 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.040 2.063 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.937 2.209 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.748 3.624 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.998 3.623 5.033 1.00 0.00 H new ATOM 1304 N LYS A 83 -10.002 4.808 1.829 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.792 5.653 0.940 1.00 0.00 C ATOM 1306 C LYS A 83 -11.464 6.780 1.717 1.00 0.00 C ATOM 1307 O LYS A 83 -11.277 7.959 1.408 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.848 4.818 0.216 1.00 0.00 C ATOM 1309 CG LYS A 83 -11.270 3.870 -0.820 1.00 0.00 C ATOM 1310 CD LYS A 83 -12.291 2.835 -1.261 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.841 2.108 -2.519 1.00 0.00 C ATOM 1312 NZ LYS A 83 -11.993 2.956 -3.734 1.00 0.00 N ATOM 0 H LYS A 83 -10.313 3.838 1.874 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.119 6.094 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.409 4.241 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.556 5.487 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.930 4.439 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.396 3.367 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.449 2.113 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.249 3.322 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.798 1.810 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.423 1.194 -2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.806 2.384 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.962 3.331 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.317 3.746 -3.693 1.00 0.00 H new ATOM 1326 N LYS A 84 -12.244 6.413 2.728 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.942 7.394 3.551 1.00 0.00 C ATOM 1328 C LYS A 84 -12.099 8.652 3.732 1.00 0.00 C ATOM 1329 O LYS A 84 -12.575 9.765 3.510 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.280 6.794 4.917 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.947 7.776 5.865 1.00 0.00 C ATOM 1332 CD LYS A 84 -15.444 7.862 5.619 1.00 0.00 C ATOM 1333 CE LYS A 84 -16.147 8.635 6.722 1.00 0.00 C ATOM 1334 NZ LYS A 84 -16.191 10.096 6.434 1.00 0.00 N ATOM 0 H LYS A 84 -12.409 5.443 2.997 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.866 7.668 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.937 5.936 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.365 6.422 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.764 7.470 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.500 8.762 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.629 8.346 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.861 6.857 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.163 8.257 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.633 8.467 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.678 10.588 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.221 10.462 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.704 10.259 5.544 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.846 8.467 4.133 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.938 9.588 4.342 1.00 0.00 C ATOM 1350 C GLU A 85 -9.612 10.278 3.020 1.00 0.00 C ATOM 1351 O GLU A 85 -9.670 11.504 2.916 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.647 9.111 5.012 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.871 8.450 6.361 1.00 0.00 C ATOM 1354 CD GLU A 85 -8.992 9.455 7.490 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -9.583 10.532 7.265 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -8.497 9.164 8.598 1.00 0.00 O ATOM 0 H GLU A 85 -10.436 7.552 4.320 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.434 10.306 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.143 8.406 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.978 9.962 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.777 7.845 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.044 7.771 6.571 1.00 0.00 H new