USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 73:sc= 0.517 USER MOD Single : A 21 SER OG : rot 90:sc= 1.26 USER MOD Single : A 22 ASN : amide:sc= -0.476 K(o=-0.48,f=-1.5!) USER MOD Single : A 27 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.0083) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0525) USER MOD Single : A 38 SER OG : rot 180:sc= -0.283 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 1.11 (180deg=0.598) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.1) USER MOD Single : A 49 TYR OH : rot 90:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= 1.3 (180deg=-0.356) USER MOD Single : A 55 SER OG : rot 81:sc= 0.175 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.8!) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= -0.348 (180deg=-0.629) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -110:sc= 0.666 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc=-0.00114 X(o=-0.0011,f=-0.0083) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.7!) USER MOD Single : A 113 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 114 TYR OH : rot 180:sc= -1.65 USER MOD Single : B 396 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0.67) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -4.842 11.708 -10.509 1.00 0.00 N ATOM 140 CA PHE A 14 -4.026 11.100 -9.471 1.00 0.00 C ATOM 141 C PHE A 14 -4.745 11.142 -8.126 1.00 0.00 C ATOM 142 O PHE A 14 -4.114 11.234 -7.074 1.00 0.00 O ATOM 143 CB PHE A 14 -2.656 11.796 -9.381 1.00 0.00 C ATOM 144 CG PHE A 14 -2.712 13.289 -9.166 1.00 0.00 C ATOM 145 CD1 PHE A 14 -3.099 14.142 -10.190 1.00 0.00 C ATOM 146 CD2 PHE A 14 -2.366 13.838 -7.942 1.00 0.00 C ATOM 147 CE1 PHE A 14 -3.142 15.509 -9.995 1.00 0.00 C ATOM 148 CE2 PHE A 14 -2.407 15.203 -7.741 1.00 0.00 C ATOM 149 CZ PHE A 14 -2.796 16.040 -8.769 1.00 0.00 C ATOM 0 HA PHE A 14 -3.860 10.055 -9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.090 11.347 -8.564 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.103 11.597 -10.299 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.370 13.732 -11.152 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.060 13.189 -7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.446 16.161 -10.801 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.135 15.616 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.829 17.108 -8.613 1.00 0.00 H new ATOM 159 N SER A 15 -6.067 11.045 -8.171 1.00 0.00 N ATOM 160 CA SER A 15 -6.882 11.075 -6.964 1.00 0.00 C ATOM 161 C SER A 15 -6.518 9.923 -6.028 1.00 0.00 C ATOM 162 O SER A 15 -6.302 10.129 -4.831 1.00 0.00 O ATOM 163 CB SER A 15 -8.360 11.013 -7.338 1.00 0.00 C ATOM 164 OG SER A 15 -8.681 12.002 -8.309 1.00 0.00 O ATOM 0 H SER A 15 -6.600 10.944 -9.035 1.00 0.00 H new ATOM 0 HA SER A 15 -6.686 12.008 -6.436 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.599 10.024 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.971 11.161 -6.447 1.00 0.00 H new ATOM 0 HG SER A 15 -9.633 11.942 -8.535 1.00 0.00 H new ATOM 170 N GLU A 16 -6.436 8.719 -6.583 1.00 0.00 N ATOM 171 CA GLU A 16 -6.086 7.541 -5.805 1.00 0.00 C ATOM 172 C GLU A 16 -4.640 7.643 -5.339 1.00 0.00 C ATOM 173 O GLU A 16 -4.293 7.219 -4.236 1.00 0.00 O ATOM 174 CB GLU A 16 -6.276 6.265 -6.636 1.00 0.00 C ATOM 175 CG GLU A 16 -7.564 6.236 -7.448 1.00 0.00 C ATOM 176 CD GLU A 16 -7.361 6.688 -8.882 1.00 0.00 C ATOM 177 OE1 GLU A 16 -6.912 7.835 -9.094 1.00 0.00 O ATOM 178 OE2 GLU A 16 -7.643 5.899 -9.809 1.00 0.00 O ATOM 0 H GLU A 16 -6.608 8.535 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.745 7.490 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.429 6.157 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.261 5.404 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.969 5.224 -7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.305 6.877 -6.970 1.00 0.00 H new ATOM 185 N TYR A 17 -3.809 8.243 -6.184 1.00 0.00 N ATOM 186 CA TYR A 17 -2.396 8.414 -5.889 1.00 0.00 C ATOM 187 C TYR A 17 -2.203 9.279 -4.651 1.00 0.00 C ATOM 188 O TYR A 17 -1.464 8.907 -3.745 1.00 0.00 O ATOM 189 CB TYR A 17 -1.667 9.041 -7.079 1.00 0.00 C ATOM 190 CG TYR A 17 -1.469 8.096 -8.241 1.00 0.00 C ATOM 191 CD1 TYR A 17 -2.493 7.855 -9.149 1.00 0.00 C ATOM 192 CD2 TYR A 17 -0.255 7.449 -8.432 1.00 0.00 C ATOM 193 CE1 TYR A 17 -2.313 6.994 -10.214 1.00 0.00 C ATOM 194 CE2 TYR A 17 -0.068 6.588 -9.494 1.00 0.00 C ATOM 195 CZ TYR A 17 -1.100 6.365 -10.382 1.00 0.00 C ATOM 196 OH TYR A 17 -0.917 5.506 -11.439 1.00 0.00 O ATOM 0 H TYR A 17 -4.096 8.622 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.973 7.428 -5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.230 9.909 -7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.694 9.403 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.445 8.349 -9.020 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.555 7.622 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.119 6.815 -10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.881 6.091 -9.629 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.006 5.147 -11.414 1.00 0.00 H new ATOM 206 N SER A 18 -2.881 10.422 -4.620 1.00 0.00 N ATOM 207 CA SER A 18 -2.793 11.353 -3.499 1.00 0.00 C ATOM 208 C SER A 18 -3.122 10.672 -2.172 1.00 0.00 C ATOM 209 O SER A 18 -2.430 10.875 -1.174 1.00 0.00 O ATOM 210 CB SER A 18 -3.738 12.535 -3.727 1.00 0.00 C ATOM 211 OG SER A 18 -3.448 13.192 -4.952 1.00 0.00 O ATOM 0 H SER A 18 -3.504 10.728 -5.367 1.00 0.00 H new ATOM 0 HA SER A 18 -1.765 11.711 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.770 12.184 -3.735 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.648 13.241 -2.902 1.00 0.00 H new ATOM 0 HG SER A 18 -3.751 12.637 -5.701 1.00 0.00 H new ATOM 217 N ARG A 19 -4.167 9.849 -2.171 1.00 0.00 N ATOM 218 CA ARG A 19 -4.586 9.147 -0.963 1.00 0.00 C ATOM 219 C ARG A 19 -3.493 8.206 -0.465 1.00 0.00 C ATOM 220 O ARG A 19 -3.132 8.227 0.713 1.00 0.00 O ATOM 221 CB ARG A 19 -5.877 8.363 -1.212 1.00 0.00 C ATOM 222 CG ARG A 19 -7.101 9.246 -1.399 1.00 0.00 C ATOM 223 CD ARG A 19 -7.345 10.132 -0.186 1.00 0.00 C ATOM 224 NE ARG A 19 -7.877 9.382 0.954 1.00 0.00 N ATOM 225 CZ ARG A 19 -9.131 9.508 1.405 1.00 0.00 C ATOM 226 NH1 ARG A 19 -9.973 10.360 0.819 1.00 0.00 N ATOM 227 NH2 ARG A 19 -9.543 8.795 2.447 1.00 0.00 N ATOM 0 H ARG A 19 -4.738 9.652 -2.993 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.771 9.897 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.749 7.742 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.050 7.689 -0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.969 9.869 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.977 8.622 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.411 10.613 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.043 10.925 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.257 8.727 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.662 10.919 0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.928 10.453 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.903 8.148 2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.500 8.895 2.787 1.00 0.00 H new ATOM 241 N ILE A 20 -2.966 7.389 -1.369 1.00 0.00 N ATOM 242 CA ILE A 20 -1.908 6.441 -1.030 1.00 0.00 C ATOM 243 C ILE A 20 -0.624 7.179 -0.657 1.00 0.00 C ATOM 244 O ILE A 20 0.020 6.860 0.343 1.00 0.00 O ATOM 245 CB ILE A 20 -1.639 5.459 -2.201 1.00 0.00 C ATOM 246 CG1 ILE A 20 -2.599 4.273 -2.136 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.201 4.959 -2.192 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.042 4.621 -2.438 1.00 0.00 C ATOM 0 H ILE A 20 -3.255 7.363 -2.347 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.244 5.862 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.804 6.005 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.266 3.512 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.545 3.831 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.049 4.274 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.479 5.805 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.002 4.440 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.655 3.722 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.397 5.358 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.114 5.034 -3.444 1.00 0.00 H new ATOM 260 N SER A 21 -0.267 8.169 -1.461 1.00 0.00 N ATOM 261 CA SER A 21 0.932 8.967 -1.215 1.00 0.00 C ATOM 262 C SER A 21 0.888 9.613 0.167 1.00 0.00 C ATOM 263 O SER A 21 1.888 9.624 0.889 1.00 0.00 O ATOM 264 CB SER A 21 1.087 10.043 -2.290 1.00 0.00 C ATOM 265 OG SER A 21 1.142 9.466 -3.583 1.00 0.00 O ATOM 0 H SER A 21 -0.790 8.442 -2.293 1.00 0.00 H new ATOM 0 HA SER A 21 1.792 8.299 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.251 10.740 -2.235 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.995 10.618 -2.106 1.00 0.00 H new ATOM 0 HG SER A 21 0.235 9.396 -3.949 1.00 0.00 H new ATOM 271 N ASN A 22 -0.274 10.138 0.540 1.00 0.00 N ATOM 272 CA ASN A 22 -0.436 10.773 1.842 1.00 0.00 C ATOM 273 C ASN A 22 -0.326 9.728 2.948 1.00 0.00 C ATOM 274 O ASN A 22 0.244 9.991 4.000 1.00 0.00 O ATOM 275 CB ASN A 22 -1.776 11.506 1.932 1.00 0.00 C ATOM 276 CG ASN A 22 -1.734 12.662 2.915 1.00 0.00 C ATOM 277 OD1 ASN A 22 -0.694 13.295 3.106 1.00 0.00 O ATOM 278 ND2 ASN A 22 -2.863 12.950 3.539 1.00 0.00 N ATOM 0 H ASN A 22 -1.114 10.136 -0.038 1.00 0.00 H new ATOM 0 HA ASN A 22 0.358 11.509 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.050 11.880 0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.553 10.803 2.234 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.895 13.721 4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.703 12.402 3.353 1.00 0.00 H new ATOM 285 N LEU A 23 -0.867 8.539 2.685 1.00 0.00 N ATOM 286 CA LEU A 23 -0.811 7.421 3.628 1.00 0.00 C ATOM 287 C LEU A 23 0.656 7.078 3.916 1.00 0.00 C ATOM 288 O LEU A 23 1.038 6.846 5.069 1.00 0.00 O ATOM 289 CB LEU A 23 -1.640 6.239 3.040 1.00 0.00 C ATOM 290 CG LEU A 23 -1.179 4.783 3.267 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.012 4.407 2.369 1.00 0.00 C ATOM 292 CD2 LEU A 23 -0.841 4.521 4.716 1.00 0.00 C ATOM 0 H LEU A 23 -1.355 8.323 1.816 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.257 7.673 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.652 6.324 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.706 6.394 1.963 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.023 4.147 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.279 3.375 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.308 4.510 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.832 5.066 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.521 3.486 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.037 5.187 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.721 4.701 5.333 1.00 0.00 H new ATOM 304 N ILE A 24 1.478 7.096 2.873 1.00 0.00 N ATOM 305 CA ILE A 24 2.899 6.802 3.012 1.00 0.00 C ATOM 306 C ILE A 24 3.568 7.846 3.900 1.00 0.00 C ATOM 307 O ILE A 24 4.290 7.506 4.839 1.00 0.00 O ATOM 308 CB ILE A 24 3.597 6.729 1.625 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.653 5.277 1.149 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.005 7.325 1.659 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.514 4.391 2.025 1.00 0.00 C ATOM 0 H ILE A 24 1.184 7.312 1.920 1.00 0.00 H new ATOM 0 HA ILE A 24 3.000 5.825 3.484 1.00 0.00 H new ATOM 0 HB ILE A 24 3.008 7.323 0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.641 4.873 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.037 5.251 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.455 7.253 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.950 8.372 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.615 6.776 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.510 3.375 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.535 4.772 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.118 4.388 3.040 1.00 0.00 H new ATOM 323 N VAL A 25 3.294 9.110 3.613 1.00 0.00 N ATOM 324 CA VAL A 25 3.863 10.212 4.372 1.00 0.00 C ATOM 325 C VAL A 25 3.351 10.217 5.816 1.00 0.00 C ATOM 326 O VAL A 25 4.138 10.255 6.759 1.00 0.00 O ATOM 327 CB VAL A 25 3.537 11.567 3.701 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.059 12.730 4.529 1.00 0.00 C ATOM 329 CG2 VAL A 25 4.117 11.621 2.294 1.00 0.00 C ATOM 0 H VAL A 25 2.676 9.398 2.854 1.00 0.00 H new ATOM 0 HA VAL A 25 4.944 10.072 4.387 1.00 0.00 H new ATOM 0 HB VAL A 25 2.452 11.655 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.815 13.669 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.596 12.711 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.141 12.645 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.877 12.582 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.199 11.502 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.690 10.818 1.693 1.00 0.00 H new ATOM 339 N LEU A 26 2.035 10.147 5.975 1.00 0.00 N ATOM 340 CA LEU A 26 1.402 10.170 7.292 1.00 0.00 C ATOM 341 C LEU A 26 1.906 9.059 8.205 1.00 0.00 C ATOM 342 O LEU A 26 2.299 9.322 9.343 1.00 0.00 O ATOM 343 CB LEU A 26 -0.113 10.062 7.154 1.00 0.00 C ATOM 344 CG LEU A 26 -0.800 11.324 6.641 1.00 0.00 C ATOM 345 CD1 LEU A 26 -2.219 11.009 6.207 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.797 12.408 7.708 1.00 0.00 C ATOM 0 H LEU A 26 1.377 10.073 5.199 1.00 0.00 H new ATOM 0 HA LEU A 26 1.670 11.122 7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.344 9.239 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.535 9.805 8.126 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.246 11.694 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.698 11.918 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.199 10.265 5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.780 10.617 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.291 13.300 7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.328 12.051 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.231 12.651 7.977 1.00 0.00 H new ATOM 358 N HIS A 27 1.899 7.823 7.720 1.00 0.00 N ATOM 359 CA HIS A 27 2.347 6.705 8.542 1.00 0.00 C ATOM 360 C HIS A 27 3.832 6.820 8.842 1.00 0.00 C ATOM 361 O HIS A 27 4.278 6.457 9.931 1.00 0.00 O ATOM 362 CB HIS A 27 2.041 5.358 7.886 1.00 0.00 C ATOM 363 CG HIS A 27 1.934 4.242 8.886 1.00 0.00 C ATOM 364 ND1 HIS A 27 2.807 3.176 8.933 1.00 0.00 N ATOM 365 CD2 HIS A 27 1.037 4.029 9.881 1.00 0.00 C ATOM 366 CE1 HIS A 27 2.452 2.360 9.911 1.00 0.00 C ATOM 367 NE2 HIS A 27 1.381 2.854 10.500 1.00 0.00 N ATOM 0 H HIS A 27 1.594 7.572 6.780 1.00 0.00 H new ATOM 0 HA HIS A 27 1.793 6.750 9.480 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.107 5.433 7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.824 5.122 7.166 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.205 4.667 10.139 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.955 1.443 10.182 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.889 2.432 11.287 1.00 0.00 H new ATOM 376 N LEU A 28 4.595 7.322 7.879 1.00 0.00 N ATOM 377 CA LEU A 28 6.025 7.506 8.073 1.00 0.00 C ATOM 378 C LEU A 28 6.263 8.521 9.186 1.00 0.00 C ATOM 379 O LEU A 28 7.072 8.289 10.084 1.00 0.00 O ATOM 380 CB LEU A 28 6.686 7.963 6.772 1.00 0.00 C ATOM 381 CG LEU A 28 8.164 8.350 6.881 1.00 0.00 C ATOM 382 CD1 LEU A 28 8.969 7.220 7.505 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.719 8.708 5.512 1.00 0.00 C ATOM 0 H LEU A 28 4.249 7.607 6.963 1.00 0.00 H new ATOM 0 HA LEU A 28 6.473 6.555 8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.591 7.164 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.132 8.819 6.385 1.00 0.00 H new ATOM 0 HG LEU A 28 8.245 9.224 7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.016 7.514 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.585 7.008 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.883 6.327 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.770 8.981 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.625 7.851 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.161 9.550 5.102 1.00 0.00 H new ATOM 395 N ARG A 29 5.530 9.628 9.130 1.00 0.00 N ATOM 396 CA ARG A 29 5.633 10.677 10.141 1.00 0.00 C ATOM 397 C ARG A 29 5.286 10.121 11.516 1.00 0.00 C ATOM 398 O ARG A 29 5.883 10.495 12.525 1.00 0.00 O ATOM 399 CB ARG A 29 4.689 11.834 9.809 1.00 0.00 C ATOM 400 CG ARG A 29 5.048 12.583 8.539 1.00 0.00 C ATOM 401 CD ARG A 29 3.831 13.293 7.957 1.00 0.00 C ATOM 402 NE ARG A 29 3.122 14.077 8.963 1.00 0.00 N ATOM 403 CZ ARG A 29 3.335 15.371 9.186 1.00 0.00 C ATOM 404 NH1 ARG A 29 4.201 16.041 8.433 1.00 0.00 N ATOM 405 NH2 ARG A 29 2.669 15.996 10.152 1.00 0.00 N ATOM 0 H ARG A 29 4.854 9.823 8.391 1.00 0.00 H new ATOM 0 HA ARG A 29 6.659 11.044 10.148 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.675 11.445 9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.685 12.536 10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.830 13.311 8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.452 11.886 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.147 13.947 7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.152 12.556 7.527 1.00 0.00 H new ATOM 0 HE ARG A 29 2.419 13.603 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.702 15.563 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.364 17.033 8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.996 15.483 10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.831 16.988 10.324 1.00 0.00 H new ATOM 419 N LYS A 30 4.320 9.217 11.536 1.00 0.00 N ATOM 420 CA LYS A 30 3.865 8.594 12.767 1.00 0.00 C ATOM 421 C LYS A 30 4.946 7.695 13.363 1.00 0.00 C ATOM 422 O LYS A 30 5.360 7.883 14.507 1.00 0.00 O ATOM 423 CB LYS A 30 2.604 7.768 12.490 1.00 0.00 C ATOM 424 CG LYS A 30 1.526 7.883 13.559 1.00 0.00 C ATOM 425 CD LYS A 30 1.925 7.182 14.846 1.00 0.00 C ATOM 426 CE LYS A 30 0.729 6.970 15.765 1.00 0.00 C ATOM 427 NZ LYS A 30 0.031 8.246 16.082 1.00 0.00 N ATOM 0 H LYS A 30 3.830 8.895 10.701 1.00 0.00 H new ATOM 0 HA LYS A 30 3.641 9.382 13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.184 8.079 11.534 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.887 6.720 12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.330 8.935 13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.597 7.453 13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.378 6.219 14.611 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.681 7.773 15.363 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.028 6.282 15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.063 6.501 16.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.665 8.083 16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.726 8.952 16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.456 8.596 15.232 1.00 0.00 H new ATOM 441 N VAL A 31 5.429 6.742 12.574 1.00 0.00 N ATOM 442 CA VAL A 31 6.429 5.798 13.056 1.00 0.00 C ATOM 443 C VAL A 31 7.745 6.474 13.423 1.00 0.00 C ATOM 444 O VAL A 31 8.358 6.110 14.418 1.00 0.00 O ATOM 445 CB VAL A 31 6.695 4.654 12.054 1.00 0.00 C ATOM 446 CG1 VAL A 31 5.458 3.787 11.911 1.00 0.00 C ATOM 447 CG2 VAL A 31 7.139 5.186 10.701 1.00 0.00 C ATOM 0 H VAL A 31 5.146 6.603 11.604 1.00 0.00 H new ATOM 0 HA VAL A 31 6.001 5.369 13.962 1.00 0.00 H new ATOM 0 HB VAL A 31 7.510 4.045 12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.657 2.983 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.199 3.360 12.880 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.628 4.394 11.548 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.317 4.352 10.022 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.361 5.829 10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.058 5.759 10.819 1.00 0.00 H new ATOM 457 N GLU A 32 8.170 7.468 12.649 1.00 0.00 N ATOM 458 CA GLU A 32 9.427 8.155 12.933 1.00 0.00 C ATOM 459 C GLU A 32 9.343 8.954 14.235 1.00 0.00 C ATOM 460 O GLU A 32 10.329 9.084 14.959 1.00 0.00 O ATOM 461 CB GLU A 32 9.826 9.067 11.769 1.00 0.00 C ATOM 462 CG GLU A 32 8.917 10.268 11.582 1.00 0.00 C ATOM 463 CD GLU A 32 9.667 11.578 11.636 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.508 11.818 10.745 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.421 12.372 12.567 1.00 0.00 O ATOM 0 H GLU A 32 7.670 7.813 11.830 1.00 0.00 H new ATOM 0 HA GLU A 32 10.198 7.394 13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.845 9.418 11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.831 8.482 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.405 10.186 10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.149 10.261 12.355 1.00 0.00 H new ATOM 472 N GLU A 33 8.160 9.462 14.544 1.00 0.00 N ATOM 473 CA GLU A 33 7.967 10.243 15.752 1.00 0.00 C ATOM 474 C GLU A 33 7.829 9.337 16.972 1.00 0.00 C ATOM 475 O GLU A 33 8.244 9.697 18.075 1.00 0.00 O ATOM 476 CB GLU A 33 6.732 11.135 15.612 1.00 0.00 C ATOM 477 CG GLU A 33 6.547 12.102 16.767 1.00 0.00 C ATOM 478 CD GLU A 33 5.440 13.102 16.519 1.00 0.00 C ATOM 479 OE1 GLU A 33 4.263 12.690 16.470 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.739 14.307 16.381 1.00 0.00 O ATOM 0 H GLU A 33 7.321 9.347 13.975 1.00 0.00 H new ATOM 0 HA GLU A 33 8.845 10.873 15.895 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.806 11.701 14.683 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.846 10.505 15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.327 11.540 17.674 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.481 12.636 16.942 1.00 0.00 H new ATOM 487 N GLU A 34 7.267 8.155 16.769 1.00 0.00 N ATOM 488 CA GLU A 34 7.059 7.217 17.864 1.00 0.00 C ATOM 489 C GLU A 34 8.258 6.294 18.084 1.00 0.00 C ATOM 490 O GLU A 34 8.931 6.377 19.113 1.00 0.00 O ATOM 491 CB GLU A 34 5.800 6.381 17.614 1.00 0.00 C ATOM 492 CG GLU A 34 4.533 7.206 17.459 1.00 0.00 C ATOM 493 CD GLU A 34 4.240 8.072 18.664 1.00 0.00 C ATOM 494 OE1 GLU A 34 4.677 7.722 19.779 1.00 0.00 O ATOM 495 OE2 GLU A 34 3.561 9.105 18.509 1.00 0.00 O ATOM 0 H GLU A 34 6.947 7.822 15.859 1.00 0.00 H new ATOM 0 HA GLU A 34 6.936 7.811 18.770 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.945 5.784 16.714 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.669 5.684 18.441 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.624 7.840 16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.690 6.537 17.285 1.00 0.00 H new ATOM 502 N GLU A 35 8.532 5.427 17.119 1.00 0.00 N ATOM 503 CA GLU A 35 9.622 4.463 17.247 1.00 0.00 C ATOM 504 C GLU A 35 10.878 4.874 16.475 1.00 0.00 C ATOM 505 O GLU A 35 11.958 4.335 16.721 1.00 0.00 O ATOM 506 CB GLU A 35 9.145 3.088 16.770 1.00 0.00 C ATOM 507 CG GLU A 35 8.793 3.035 15.291 1.00 0.00 C ATOM 508 CD GLU A 35 8.151 1.725 14.893 1.00 0.00 C ATOM 509 OE1 GLU A 35 8.856 0.695 14.864 1.00 0.00 O ATOM 510 OE2 GLU A 35 6.936 1.716 14.612 1.00 0.00 O ATOM 0 H GLU A 35 8.017 5.369 16.240 1.00 0.00 H new ATOM 0 HA GLU A 35 9.898 4.427 18.301 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.924 2.353 16.974 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.271 2.796 17.352 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.115 3.855 15.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.697 3.187 14.701 1.00 0.00 H new ATOM 517 N ASP A 36 10.725 5.813 15.539 1.00 0.00 N ATOM 518 CA ASP A 36 11.841 6.293 14.712 1.00 0.00 C ATOM 519 C ASP A 36 12.371 5.153 13.836 1.00 0.00 C ATOM 520 O ASP A 36 13.554 5.093 13.509 1.00 0.00 O ATOM 521 CB ASP A 36 12.964 6.875 15.592 1.00 0.00 C ATOM 522 CG ASP A 36 14.012 7.644 14.803 1.00 0.00 C ATOM 523 OD1 ASP A 36 13.658 8.636 14.127 1.00 0.00 O ATOM 524 OD2 ASP A 36 15.202 7.262 14.854 1.00 0.00 O ATOM 0 H ASP A 36 9.832 6.261 15.332 1.00 0.00 H new ATOM 0 HA ASP A 36 11.478 7.091 14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.525 7.536 16.339 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.450 6.063 16.132 1.00 0.00 H new ATOM 529 N GLU A 37 11.464 4.261 13.444 1.00 0.00 N ATOM 530 CA GLU A 37 11.798 3.104 12.628 1.00 0.00 C ATOM 531 C GLU A 37 10.646 2.787 11.683 1.00 0.00 C ATOM 532 O GLU A 37 9.570 2.374 12.111 1.00 0.00 O ATOM 533 CB GLU A 37 12.089 1.887 13.512 1.00 0.00 C ATOM 534 CG GLU A 37 13.400 1.973 14.272 1.00 0.00 C ATOM 535 CD GLU A 37 13.740 0.684 14.986 1.00 0.00 C ATOM 536 OE1 GLU A 37 13.266 0.488 16.125 1.00 0.00 O ATOM 537 OE2 GLU A 37 14.479 -0.139 14.408 1.00 0.00 O ATOM 0 H GLU A 37 10.475 4.324 13.686 1.00 0.00 H new ATOM 0 HA GLU A 37 12.691 3.336 12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.274 1.767 14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.101 0.993 12.889 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.203 2.223 13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.343 2.783 14.999 1.00 0.00 H new ATOM 544 N SER A 38 10.868 3.002 10.405 1.00 0.00 N ATOM 545 CA SER A 38 9.850 2.745 9.397 1.00 0.00 C ATOM 546 C SER A 38 10.168 1.496 8.575 1.00 0.00 C ATOM 547 O SER A 38 9.564 1.262 7.523 1.00 0.00 O ATOM 548 CB SER A 38 9.726 3.954 8.478 1.00 0.00 C ATOM 549 OG SER A 38 11.002 4.397 8.047 1.00 0.00 O ATOM 0 H SER A 38 11.749 3.356 10.032 1.00 0.00 H new ATOM 0 HA SER A 38 8.904 2.570 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.115 3.697 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.214 4.762 9.001 1.00 0.00 H new ATOM 0 HG SER A 38 10.897 5.173 7.457 1.00 0.00 H new ATOM 555 N ALA A 39 11.121 0.703 9.044 1.00 0.00 N ATOM 556 CA ALA A 39 11.511 -0.514 8.347 1.00 0.00 C ATOM 557 C ALA A 39 10.594 -1.683 8.700 1.00 0.00 C ATOM 558 O ALA A 39 9.992 -1.707 9.774 1.00 0.00 O ATOM 559 CB ALA A 39 12.957 -0.867 8.657 1.00 0.00 C ATOM 0 H ALA A 39 11.639 0.881 9.905 1.00 0.00 H new ATOM 0 HA ALA A 39 11.414 -0.325 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.230 -1.779 8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.607 -0.053 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.072 -1.022 9.730 1.00 0.00 H new ATOM 565 N LEU A 40 10.510 -2.642 7.777 1.00 0.00 N ATOM 566 CA LEU A 40 9.690 -3.846 7.941 1.00 0.00 C ATOM 567 C LEU A 40 8.208 -3.506 8.084 1.00 0.00 C ATOM 568 O LEU A 40 7.696 -3.365 9.195 1.00 0.00 O ATOM 569 CB LEU A 40 10.159 -4.674 9.146 1.00 0.00 C ATOM 570 CG LEU A 40 9.463 -6.026 9.309 1.00 0.00 C ATOM 571 CD1 LEU A 40 9.978 -7.021 8.283 1.00 0.00 C ATOM 572 CD2 LEU A 40 9.655 -6.555 10.721 1.00 0.00 C ATOM 0 H LEU A 40 11.011 -2.606 6.889 1.00 0.00 H new ATOM 0 HA LEU A 40 9.815 -4.441 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.232 -4.843 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.003 -4.090 10.053 1.00 0.00 H new ATOM 0 HG LEU A 40 8.395 -5.888 9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.470 -7.976 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.783 -6.643 7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.051 -7.159 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.154 -7.518 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.719 -6.678 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.230 -5.849 11.435 1.00 0.00 H new ATOM 584 N LYS A 41 7.528 -3.371 6.949 1.00 0.00 N ATOM 585 CA LYS A 41 6.101 -3.056 6.922 1.00 0.00 C ATOM 586 C LYS A 41 5.574 -3.082 5.490 1.00 0.00 C ATOM 587 O LYS A 41 4.615 -2.390 5.161 1.00 0.00 O ATOM 588 CB LYS A 41 5.834 -1.680 7.558 1.00 0.00 C ATOM 589 CG LYS A 41 6.717 -0.553 7.029 1.00 0.00 C ATOM 590 CD LYS A 41 6.022 0.245 5.936 1.00 0.00 C ATOM 591 CE LYS A 41 6.870 1.414 5.467 1.00 0.00 C ATOM 592 NZ LYS A 41 8.270 1.007 5.180 1.00 0.00 N ATOM 0 H LYS A 41 7.947 -3.476 6.025 1.00 0.00 H new ATOM 0 HA LYS A 41 5.576 -3.814 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.790 -1.414 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.975 -1.759 8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.987 0.113 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.645 -0.971 6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.804 -0.408 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.066 0.615 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.427 1.846 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.868 2.192 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.773 1.793 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.750 0.762 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.269 0.181 4.548 1.00 0.00 H new ATOM 606 N ARG A 42 6.194 -3.900 4.648 1.00 0.00 N ATOM 607 CA ARG A 42 5.808 -3.995 3.241 1.00 0.00 C ATOM 608 C ARG A 42 4.340 -4.380 3.081 1.00 0.00 C ATOM 609 O ARG A 42 3.543 -3.610 2.548 1.00 0.00 O ATOM 610 CB ARG A 42 6.686 -5.026 2.533 1.00 0.00 C ATOM 611 CG ARG A 42 6.897 -4.746 1.056 1.00 0.00 C ATOM 612 CD ARG A 42 7.696 -5.853 0.393 1.00 0.00 C ATOM 613 NE ARG A 42 8.282 -5.421 -0.874 1.00 0.00 N ATOM 614 CZ ARG A 42 9.141 -6.151 -1.582 1.00 0.00 C ATOM 615 NH1 ARG A 42 9.496 -7.360 -1.165 1.00 0.00 N ATOM 616 NH2 ARG A 42 9.643 -5.677 -2.717 1.00 0.00 N ATOM 0 H ARG A 42 6.968 -4.509 4.913 1.00 0.00 H new ATOM 0 HA ARG A 42 5.949 -3.012 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.657 -5.063 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.234 -6.011 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.931 -4.646 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.418 -3.796 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.488 -6.181 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.049 -6.713 0.219 1.00 0.00 H new ATOM 0 HE ARG A 42 8.017 -4.506 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.110 -7.734 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.155 -7.915 -1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.370 -4.751 -3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.301 -6.239 -3.257 1.00 0.00 H new ATOM 630 N SER A 43 3.987 -5.560 3.562 1.00 0.00 N ATOM 631 CA SER A 43 2.620 -6.038 3.464 1.00 0.00 C ATOM 632 C SER A 43 1.749 -5.405 4.545 1.00 0.00 C ATOM 633 O SER A 43 0.558 -5.176 4.339 1.00 0.00 O ATOM 634 CB SER A 43 2.601 -7.561 3.577 1.00 0.00 C ATOM 635 OG SER A 43 3.679 -8.130 2.847 1.00 0.00 O ATOM 0 H SER A 43 4.629 -6.204 4.024 1.00 0.00 H new ATOM 0 HA SER A 43 2.212 -5.750 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.669 -7.854 4.625 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.655 -7.947 3.199 1.00 0.00 H new ATOM 0 HG SER A 43 3.652 -9.106 2.932 1.00 0.00 H new ATOM 641 N GLU A 44 2.358 -5.112 5.688 1.00 0.00 N ATOM 642 CA GLU A 44 1.648 -4.507 6.810 1.00 0.00 C ATOM 643 C GLU A 44 1.069 -3.141 6.437 1.00 0.00 C ATOM 644 O GLU A 44 -0.060 -2.824 6.810 1.00 0.00 O ATOM 645 CB GLU A 44 2.585 -4.366 8.012 1.00 0.00 C ATOM 646 CG GLU A 44 1.920 -3.775 9.245 1.00 0.00 C ATOM 647 CD GLU A 44 2.806 -3.847 10.470 1.00 0.00 C ATOM 648 OE1 GLU A 44 3.914 -3.272 10.447 1.00 0.00 O ATOM 649 OE2 GLU A 44 2.406 -4.491 11.463 1.00 0.00 O ATOM 0 H GLU A 44 3.348 -5.285 5.863 1.00 0.00 H new ATOM 0 HA GLU A 44 0.819 -5.164 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.988 -5.347 8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.430 -3.737 7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.659 -2.735 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.989 -4.306 9.442 1.00 0.00 H new ATOM 656 N LEU A 45 1.840 -2.349 5.691 1.00 0.00 N ATOM 657 CA LEU A 45 1.411 -1.016 5.277 1.00 0.00 C ATOM 658 C LEU A 45 0.073 -1.060 4.553 1.00 0.00 C ATOM 659 O LEU A 45 -0.882 -0.397 4.952 1.00 0.00 O ATOM 660 CB LEU A 45 2.460 -0.374 4.369 1.00 0.00 C ATOM 661 CG LEU A 45 2.130 1.044 3.901 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.415 2.056 5.001 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.907 1.384 2.641 1.00 0.00 C ATOM 0 H LEU A 45 2.769 -2.611 5.361 1.00 0.00 H new ATOM 0 HA LEU A 45 1.295 -0.417 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.413 -0.353 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.596 -1.007 3.492 1.00 0.00 H new ATOM 0 HG LEU A 45 1.066 1.089 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.173 3.058 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.807 1.824 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.470 2.012 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.659 2.397 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.976 1.319 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.644 0.681 1.851 1.00 0.00 H new ATOM 675 N VAL A 46 0.010 -1.845 3.492 1.00 0.00 N ATOM 676 CA VAL A 46 -1.215 -1.967 2.722 1.00 0.00 C ATOM 677 C VAL A 46 -2.287 -2.691 3.533 1.00 0.00 C ATOM 678 O VAL A 46 -3.475 -2.385 3.425 1.00 0.00 O ATOM 679 CB VAL A 46 -0.973 -2.686 1.368 1.00 0.00 C ATOM 680 CG1 VAL A 46 -0.005 -3.846 1.512 1.00 0.00 C ATOM 681 CG2 VAL A 46 -2.279 -3.164 0.758 1.00 0.00 C ATOM 0 H VAL A 46 0.789 -2.405 3.145 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.566 -0.960 2.499 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.524 -1.955 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.138 -4.323 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.953 -3.477 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.409 -4.572 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.077 -3.664 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.765 -3.862 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.934 -2.310 0.585 1.00 0.00 H new ATOM 691 N ASN A 47 -1.853 -3.617 4.375 1.00 0.00 N ATOM 692 CA ASN A 47 -2.767 -4.396 5.202 1.00 0.00 C ATOM 693 C ASN A 47 -3.602 -3.503 6.117 1.00 0.00 C ATOM 694 O ASN A 47 -4.832 -3.522 6.046 1.00 0.00 O ATOM 695 CB ASN A 47 -2.007 -5.424 6.043 1.00 0.00 C ATOM 696 CG ASN A 47 -2.923 -6.510 6.577 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.901 -6.891 5.928 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.617 -7.016 7.762 1.00 0.00 N ATOM 0 H ASN A 47 -0.868 -3.849 4.505 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.441 -4.918 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.221 -5.877 5.439 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.518 -4.920 6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.199 -7.748 8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.800 -6.674 8.267 1.00 0.00 H new ATOM 705 N TRP A 48 -2.944 -2.706 6.961 1.00 0.00 N ATOM 706 CA TRP A 48 -3.665 -1.831 7.883 1.00 0.00 C ATOM 707 C TRP A 48 -4.400 -0.738 7.121 1.00 0.00 C ATOM 708 O TRP A 48 -5.498 -0.347 7.504 1.00 0.00 O ATOM 709 CB TRP A 48 -2.730 -1.218 8.952 1.00 0.00 C ATOM 710 CG TRP A 48 -1.864 -0.083 8.469 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.551 -0.157 8.118 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.245 1.298 8.300 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.095 1.075 7.716 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.115 1.983 7.821 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.431 2.018 8.495 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.138 3.344 7.533 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.449 3.370 8.206 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.307 4.020 7.728 1.00 0.00 C ATOM 0 H TRP A 48 -1.928 -2.649 7.024 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.397 -2.445 8.408 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.338 -0.862 9.783 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.085 -2.005 9.343 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.047 -1.056 8.151 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.850 1.280 7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.317 1.525 8.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.257 3.850 7.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.359 3.933 8.352 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.351 5.077 7.509 1.00 0.00 H new ATOM 729 N TYR A 49 -3.795 -0.270 6.031 1.00 0.00 N ATOM 730 CA TYR A 49 -4.380 0.791 5.217 1.00 0.00 C ATOM 731 C TYR A 49 -5.810 0.452 4.829 1.00 0.00 C ATOM 732 O TYR A 49 -6.732 1.241 5.040 1.00 0.00 O ATOM 733 CB TYR A 49 -3.537 1.016 3.955 1.00 0.00 C ATOM 734 CG TYR A 49 -4.036 2.144 3.075 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.449 3.350 3.627 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.093 2.003 1.692 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.907 4.380 2.832 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.547 3.029 0.889 1.00 0.00 C ATOM 739 CZ TYR A 49 -4.954 4.218 1.464 1.00 0.00 C ATOM 740 OH TYR A 49 -5.414 5.245 0.674 1.00 0.00 O ATOM 0 H TYR A 49 -2.896 -0.611 5.691 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.391 1.706 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.509 1.226 4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.520 0.095 3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.411 3.484 4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.777 1.075 1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.227 5.309 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.584 2.904 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.664 5.822 0.418 1.00 0.00 H new ATOM 750 N LEU A 50 -5.990 -0.734 4.285 1.00 0.00 N ATOM 751 CA LEU A 50 -7.300 -1.178 3.854 1.00 0.00 C ATOM 752 C LEU A 50 -8.171 -1.580 5.030 1.00 0.00 C ATOM 753 O LEU A 50 -9.343 -1.237 5.073 1.00 0.00 O ATOM 754 CB LEU A 50 -7.158 -2.344 2.895 1.00 0.00 C ATOM 755 CG LEU A 50 -6.078 -2.156 1.842 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.612 -3.500 1.342 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.585 -1.296 0.696 1.00 0.00 C ATOM 0 H LEU A 50 -5.242 -1.410 4.130 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.786 -0.343 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.939 -3.246 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.113 -2.507 2.395 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.232 -1.639 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.838 -3.359 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.208 -4.077 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.453 -4.037 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.795 -1.175 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.446 -1.778 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.878 -0.318 1.077 1.00 0.00 H new ATOM 769 N LYS A 51 -7.598 -2.297 5.988 1.00 0.00 N ATOM 770 CA LYS A 51 -8.354 -2.751 7.151 1.00 0.00 C ATOM 771 C LYS A 51 -8.940 -1.580 7.937 1.00 0.00 C ATOM 772 O LYS A 51 -10.008 -1.702 8.536 1.00 0.00 O ATOM 773 CB LYS A 51 -7.480 -3.619 8.056 1.00 0.00 C ATOM 774 CG LYS A 51 -7.650 -5.113 7.807 1.00 0.00 C ATOM 775 CD LYS A 51 -7.271 -5.488 6.381 1.00 0.00 C ATOM 776 CE LYS A 51 -7.614 -6.933 6.066 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.084 -7.160 5.998 1.00 0.00 N ATOM 0 H LYS A 51 -6.617 -2.576 5.984 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.187 -3.352 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.434 -3.350 7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.719 -3.402 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.031 -5.672 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.685 -5.399 7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.790 -4.831 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.203 -5.328 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.160 -7.213 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.183 -7.582 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.353 -7.901 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.583 -6.278 6.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.345 -7.459 5.037 1.00 0.00 H new ATOM 791 N GLU A 52 -8.252 -0.446 7.920 1.00 0.00 N ATOM 792 CA GLU A 52 -8.721 0.740 8.625 1.00 0.00 C ATOM 793 C GLU A 52 -9.818 1.450 7.839 1.00 0.00 C ATOM 794 O GLU A 52 -10.771 1.963 8.419 1.00 0.00 O ATOM 795 CB GLU A 52 -7.563 1.712 8.874 1.00 0.00 C ATOM 796 CG GLU A 52 -6.621 1.267 9.976 1.00 0.00 C ATOM 797 CD GLU A 52 -7.287 1.226 11.332 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.870 2.251 11.744 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.220 0.171 12.001 1.00 0.00 O ATOM 0 H GLU A 52 -7.368 -0.322 7.426 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.130 0.413 9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.997 1.833 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.970 2.691 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.231 0.278 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.768 1.945 10.015 1.00 0.00 H new ATOM 806 N ILE A 53 -9.692 1.463 6.517 1.00 0.00 N ATOM 807 CA ILE A 53 -10.666 2.142 5.669 1.00 0.00 C ATOM 808 C ILE A 53 -11.803 1.222 5.225 1.00 0.00 C ATOM 809 O ILE A 53 -12.770 1.683 4.627 1.00 0.00 O ATOM 810 CB ILE A 53 -10.006 2.752 4.415 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.448 1.649 3.513 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.908 3.725 4.817 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.904 2.154 2.196 1.00 0.00 C ATOM 0 H ILE A 53 -8.929 1.014 6.011 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.082 2.937 6.287 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.763 3.300 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.655 1.124 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.235 0.922 3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.451 4.148 3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.335 4.527 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.150 3.199 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.527 1.314 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.699 2.653 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.094 2.859 2.383 1.00 0.00 H new ATOM 825 N GLU A 54 -11.695 -0.071 5.525 1.00 0.00 N ATOM 826 CA GLU A 54 -12.726 -1.046 5.143 1.00 0.00 C ATOM 827 C GLU A 54 -14.104 -0.651 5.678 1.00 0.00 C ATOM 828 O GLU A 54 -15.128 -1.134 5.197 1.00 0.00 O ATOM 829 CB GLU A 54 -12.355 -2.455 5.622 1.00 0.00 C ATOM 830 CG GLU A 54 -11.590 -3.263 4.582 1.00 0.00 C ATOM 831 CD GLU A 54 -11.428 -4.723 4.963 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.666 -5.022 5.907 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.064 -5.586 4.315 1.00 0.00 O ATOM 0 H GLU A 54 -10.906 -0.472 6.031 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.777 -1.050 4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.752 -2.377 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.265 -2.991 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.110 -3.199 3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.605 -2.820 4.439 1.00 0.00 H new ATOM 840 N SER A 55 -14.118 0.228 6.667 1.00 0.00 N ATOM 841 CA SER A 55 -15.356 0.711 7.247 1.00 0.00 C ATOM 842 C SER A 55 -16.087 1.620 6.259 1.00 0.00 C ATOM 843 O SER A 55 -17.314 1.595 6.165 1.00 0.00 O ATOM 844 CB SER A 55 -15.051 1.462 8.538 1.00 0.00 C ATOM 845 OG SER A 55 -13.654 1.470 8.793 1.00 0.00 O ATOM 0 H SER A 55 -13.276 0.623 7.087 1.00 0.00 H new ATOM 0 HA SER A 55 -16.003 -0.137 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.419 2.485 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.576 0.993 9.371 1.00 0.00 H new ATOM 0 HG SER A 55 -13.228 2.172 8.258 1.00 0.00 H new ATOM 851 N GLU A 56 -15.320 2.410 5.508 1.00 0.00 N ATOM 852 CA GLU A 56 -15.894 3.316 4.523 1.00 0.00 C ATOM 853 C GLU A 56 -15.977 2.614 3.174 1.00 0.00 C ATOM 854 O GLU A 56 -16.674 3.059 2.262 1.00 0.00 O ATOM 855 CB GLU A 56 -15.069 4.606 4.410 1.00 0.00 C ATOM 856 CG GLU A 56 -13.724 4.429 3.718 1.00 0.00 C ATOM 857 CD GLU A 56 -13.106 5.744 3.287 1.00 0.00 C ATOM 858 OE1 GLU A 56 -13.819 6.769 3.278 1.00 0.00 O ATOM 859 OE2 GLU A 56 -11.906 5.761 2.959 1.00 0.00 O ATOM 0 H GLU A 56 -14.302 2.438 5.565 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.897 3.594 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.651 5.349 3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.900 5.005 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.039 3.915 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.852 3.790 2.845 1.00 0.00 H new ATOM 866 N ILE A 57 -15.248 1.513 3.059 1.00 0.00 N ATOM 867 CA ILE A 57 -15.245 0.727 1.841 1.00 0.00 C ATOM 868 C ILE A 57 -16.461 -0.189 1.827 1.00 0.00 C ATOM 869 O ILE A 57 -16.418 -1.320 2.314 1.00 0.00 O ATOM 870 CB ILE A 57 -13.957 -0.113 1.697 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.718 0.787 1.697 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.008 -0.949 0.434 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.788 1.931 0.705 1.00 0.00 C ATOM 0 H ILE A 57 -14.650 1.146 3.799 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.283 1.417 0.998 1.00 0.00 H new ATOM 0 HB ILE A 57 -13.889 -0.784 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.578 1.195 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.840 0.180 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.093 -1.535 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -14.866 -1.620 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.102 -0.294 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.874 2.522 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.896 1.532 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.645 2.563 0.938 1.00 0.00 H new ATOM 885 N ASP A 58 -17.550 0.323 1.286 1.00 0.00 N ATOM 886 CA ASP A 58 -18.792 -0.429 1.215 1.00 0.00 C ATOM 887 C ASP A 58 -18.876 -1.209 -0.090 1.00 0.00 C ATOM 888 O ASP A 58 -19.735 -2.076 -0.265 1.00 0.00 O ATOM 889 CB ASP A 58 -19.988 0.515 1.354 1.00 0.00 C ATOM 890 CG ASP A 58 -21.312 -0.204 1.211 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.615 -1.078 2.051 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.046 0.091 0.247 1.00 0.00 O ATOM 0 H ASP A 58 -17.601 1.260 0.887 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.812 -1.143 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.948 1.007 2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.919 1.297 0.598 1.00 0.00 H new ATOM 897 N SER A 59 -17.955 -0.933 -0.989 1.00 0.00 N ATOM 898 CA SER A 59 -17.945 -1.607 -2.271 1.00 0.00 C ATOM 899 C SER A 59 -16.651 -2.377 -2.467 1.00 0.00 C ATOM 900 O SER A 59 -15.578 -1.920 -2.070 1.00 0.00 O ATOM 901 CB SER A 59 -18.134 -0.601 -3.411 1.00 0.00 C ATOM 902 OG SER A 59 -18.336 -1.269 -4.646 1.00 0.00 O ATOM 0 H SER A 59 -17.208 -0.251 -0.858 1.00 0.00 H new ATOM 0 HA SER A 59 -18.775 -2.314 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.988 0.042 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.259 0.045 -3.481 1.00 0.00 H new ATOM 0 HG SER A 59 -18.456 -0.608 -5.360 1.00 0.00 H new ATOM 908 N GLU A 60 -16.763 -3.551 -3.073 1.00 0.00 N ATOM 909 CA GLU A 60 -15.608 -4.391 -3.349 1.00 0.00 C ATOM 910 C GLU A 60 -14.653 -3.636 -4.265 1.00 0.00 C ATOM 911 O GLU A 60 -13.435 -3.700 -4.105 1.00 0.00 O ATOM 912 CB GLU A 60 -16.063 -5.693 -4.013 1.00 0.00 C ATOM 913 CG GLU A 60 -15.083 -6.841 -3.857 1.00 0.00 C ATOM 914 CD GLU A 60 -15.141 -7.821 -5.012 1.00 0.00 C ATOM 915 OE1 GLU A 60 -15.965 -7.621 -5.935 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.354 -8.785 -5.017 1.00 0.00 O ATOM 0 H GLU A 60 -17.651 -3.945 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.097 -4.636 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.023 -5.988 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.226 -5.510 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.072 -6.442 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.293 -7.369 -2.927 1.00 0.00 H new ATOM 923 N GLU A 61 -15.240 -2.881 -5.191 1.00 0.00 N ATOM 924 CA GLU A 61 -14.487 -2.085 -6.153 1.00 0.00 C ATOM 925 C GLU A 61 -13.565 -1.099 -5.443 1.00 0.00 C ATOM 926 O GLU A 61 -12.430 -0.891 -5.860 1.00 0.00 O ATOM 927 CB GLU A 61 -15.453 -1.328 -7.065 1.00 0.00 C ATOM 928 CG GLU A 61 -15.395 -1.764 -8.519 1.00 0.00 C ATOM 929 CD GLU A 61 -14.141 -1.289 -9.219 1.00 0.00 C ATOM 930 OE1 GLU A 61 -13.927 -0.061 -9.289 1.00 0.00 O ATOM 931 OE2 GLU A 61 -13.368 -2.141 -9.708 1.00 0.00 O ATOM 0 H GLU A 61 -16.252 -2.805 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.872 -2.758 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.469 -1.465 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.233 -0.262 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.446 -2.852 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.268 -1.379 -9.045 1.00 0.00 H new ATOM 938 N GLU A 62 -14.059 -0.512 -4.359 1.00 0.00 N ATOM 939 CA GLU A 62 -13.287 0.452 -3.582 1.00 0.00 C ATOM 940 C GLU A 62 -12.052 -0.204 -2.978 1.00 0.00 C ATOM 941 O GLU A 62 -10.947 0.340 -3.042 1.00 0.00 O ATOM 942 CB GLU A 62 -14.153 1.041 -2.471 1.00 0.00 C ATOM 943 CG GLU A 62 -15.215 1.997 -2.973 1.00 0.00 C ATOM 944 CD GLU A 62 -14.659 3.372 -3.262 1.00 0.00 C ATOM 945 OE1 GLU A 62 -13.906 3.523 -4.249 1.00 0.00 O ATOM 946 OE2 GLU A 62 -14.971 4.311 -2.500 1.00 0.00 O ATOM 0 H GLU A 62 -14.996 -0.688 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.964 1.250 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.635 0.228 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.512 1.563 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.666 1.592 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.009 2.077 -2.230 1.00 0.00 H new ATOM 953 N LEU A 63 -12.247 -1.385 -2.406 1.00 0.00 N ATOM 954 CA LEU A 63 -11.159 -2.126 -1.785 1.00 0.00 C ATOM 955 C LEU A 63 -10.161 -2.573 -2.833 1.00 0.00 C ATOM 956 O LEU A 63 -8.954 -2.439 -2.643 1.00 0.00 O ATOM 957 CB LEU A 63 -11.699 -3.331 -1.017 1.00 0.00 C ATOM 958 CG LEU A 63 -10.688 -4.003 -0.086 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.246 -3.035 1.000 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.284 -5.260 0.524 1.00 0.00 C ATOM 0 H LEU A 63 -13.153 -1.851 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.652 -1.467 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.559 -3.013 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.059 -4.069 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.812 -4.288 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.527 -3.527 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.782 -2.162 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.112 -2.722 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.552 -5.726 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.175 -5.000 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.553 -5.957 -0.270 1.00 0.00 H new ATOM 972 N ILE A 64 -10.669 -3.085 -3.939 1.00 0.00 N ATOM 973 CA ILE A 64 -9.818 -3.535 -5.026 1.00 0.00 C ATOM 974 C ILE A 64 -9.053 -2.353 -5.618 1.00 0.00 C ATOM 975 O ILE A 64 -7.880 -2.471 -5.962 1.00 0.00 O ATOM 976 CB ILE A 64 -10.650 -4.263 -6.107 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.255 -5.532 -5.503 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.798 -4.600 -7.325 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.445 -6.069 -6.258 1.00 0.00 C ATOM 0 H ILE A 64 -11.668 -3.200 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.093 -4.248 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.449 -3.603 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.486 -6.304 -5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.554 -5.325 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.411 -5.111 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.398 -3.682 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.975 -5.249 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.813 -6.968 -5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.234 -5.317 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.149 -6.311 -7.279 1.00 0.00 H new ATOM 991 N ASN A 65 -9.716 -1.206 -5.695 1.00 0.00 N ATOM 992 CA ASN A 65 -9.101 0.007 -6.217 1.00 0.00 C ATOM 993 C ASN A 65 -7.966 0.465 -5.310 1.00 0.00 C ATOM 994 O ASN A 65 -6.832 0.626 -5.758 1.00 0.00 O ATOM 995 CB ASN A 65 -10.149 1.120 -6.350 1.00 0.00 C ATOM 996 CG ASN A 65 -9.538 2.506 -6.435 1.00 0.00 C ATOM 997 OD1 ASN A 65 -9.163 2.970 -7.510 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.454 3.184 -5.299 1.00 0.00 N ATOM 0 H ASN A 65 -10.686 -1.091 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.692 -0.213 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.751 0.940 -7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.824 1.079 -5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.067 4.128 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.777 2.762 -4.428 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.279 0.653 -4.029 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.297 1.108 -3.049 1.00 0.00 C ATOM 1007 C LYS A 66 -6.152 0.117 -2.906 1.00 0.00 C ATOM 1008 O LYS A 66 -4.986 0.502 -2.937 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.964 1.320 -1.689 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.712 2.639 -1.570 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.762 3.830 -1.596 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.459 5.127 -1.200 1.00 0.00 C ATOM 1013 NZ LYS A 66 -9.933 4.967 -1.068 1.00 0.00 N ATOM 0 H LYS A 66 -9.211 0.496 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.889 2.053 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.659 0.501 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.203 1.273 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.428 2.726 -2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.284 2.650 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.930 3.644 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.341 3.936 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.049 5.481 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.246 5.892 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.374 5.901 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.311 4.512 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.145 4.376 -0.239 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.491 -1.157 -2.768 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.492 -2.199 -2.595 1.00 0.00 C ATOM 1029 C LYS A 67 -4.571 -2.293 -3.800 1.00 0.00 C ATOM 1030 O LYS A 67 -3.357 -2.287 -3.645 1.00 0.00 O ATOM 1031 CB LYS A 67 -6.165 -3.546 -2.340 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.202 -4.638 -1.902 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.914 -5.966 -1.721 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.519 -6.110 -0.335 1.00 0.00 C ATOM 1035 NZ LYS A 67 -5.565 -6.734 0.626 1.00 0.00 N ATOM 0 H LYS A 67 -7.454 -1.493 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.885 -1.935 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.930 -3.420 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.674 -3.866 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.411 -4.746 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.724 -4.349 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.700 -6.059 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.210 -6.780 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.817 -5.129 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.423 -6.716 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.016 -6.815 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.300 -7.681 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.713 -6.143 0.703 1.00 0.00 H new ATOM 1049 N ARG A 68 -5.141 -2.330 -4.996 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.337 -2.447 -6.205 1.00 0.00 C ATOM 1051 C ARG A 68 -3.427 -1.242 -6.411 1.00 0.00 C ATOM 1052 O ARG A 68 -2.399 -1.352 -7.068 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.217 -2.673 -7.427 1.00 0.00 C ATOM 1054 CG ARG A 68 -5.553 -4.136 -7.636 1.00 0.00 C ATOM 1055 CD ARG A 68 -6.269 -4.371 -8.948 1.00 0.00 C ATOM 1056 NE ARG A 68 -6.344 -5.795 -9.263 1.00 0.00 N ATOM 1057 CZ ARG A 68 -7.258 -6.338 -10.061 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -8.201 -5.582 -10.607 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -7.237 -7.644 -10.298 1.00 0.00 N ATOM 0 H ARG A 68 -6.147 -2.281 -5.155 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.695 -3.318 -6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.140 -2.103 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.710 -2.290 -8.312 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.636 -4.725 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.178 -4.486 -6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.275 -3.954 -8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.748 -3.846 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.650 -6.413 -8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.226 -4.581 -10.415 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.901 -6.002 -11.219 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.520 -8.229 -9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.937 -8.063 -10.910 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.790 -0.096 -5.859 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.951 1.079 -5.998 1.00 0.00 C ATOM 1075 C ILE A 69 -1.787 1.000 -5.018 1.00 0.00 C ATOM 1076 O ILE A 69 -0.628 1.179 -5.396 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.743 2.390 -5.777 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.736 2.611 -6.919 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.796 3.580 -5.666 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.083 2.717 -8.278 1.00 0.00 C ATOM 0 H ILE A 69 -4.645 0.044 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.573 1.096 -7.020 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.296 2.301 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.451 1.788 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.302 3.522 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.374 4.491 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.121 3.430 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.216 3.670 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.848 2.873 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.389 3.558 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.540 1.797 -8.493 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.096 0.679 -3.770 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.078 0.590 -2.736 1.00 0.00 C ATOM 1094 C ILE A 70 -0.168 -0.633 -2.941 1.00 0.00 C ATOM 1095 O ILE A 70 1.036 -0.552 -2.716 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.709 0.586 -1.320 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.634 0.510 -0.236 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.699 -0.550 -1.162 1.00 0.00 C ATOM 1099 CD1 ILE A 70 0.108 1.811 -0.040 1.00 0.00 C ATOM 0 H ILE A 70 -3.043 0.476 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.455 1.480 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.248 1.526 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.098 0.218 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.080 -0.272 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.124 -0.525 -0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.497 -0.442 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.189 -1.501 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.856 1.689 0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.600 2.093 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.596 2.591 0.250 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.729 -1.748 -3.398 1.00 0.00 N ATOM 1112 CA GLU A 71 0.065 -2.952 -3.632 1.00 0.00 C ATOM 1113 C GLU A 71 1.018 -2.733 -4.807 1.00 0.00 C ATOM 1114 O GLU A 71 2.147 -3.232 -4.813 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.836 -4.173 -3.886 1.00 0.00 C ATOM 1116 CG GLU A 71 -1.531 -4.165 -5.241 1.00 0.00 C ATOM 1117 CD GLU A 71 -2.480 -5.334 -5.437 1.00 0.00 C ATOM 1118 OE1 GLU A 71 -3.273 -5.629 -4.519 1.00 0.00 O ATOM 1119 OE2 GLU A 71 -2.439 -5.956 -6.523 1.00 0.00 O ATOM 0 H GLU A 71 -1.722 -1.844 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 71 0.651 -3.153 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.234 -5.078 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.592 -4.222 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.086 -3.233 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.777 -4.182 -6.028 1.00 0.00 H new ATOM 1126 N LYS A 72 0.568 -1.961 -5.789 1.00 0.00 N ATOM 1127 CA LYS A 72 1.380 -1.683 -6.961 1.00 0.00 C ATOM 1128 C LYS A 72 2.495 -0.702 -6.639 1.00 0.00 C ATOM 1129 O LYS A 72 3.644 -0.936 -7.007 1.00 0.00 O ATOM 1130 CB LYS A 72 0.531 -1.141 -8.105 1.00 0.00 C ATOM 1131 CG LYS A 72 -0.135 -2.226 -8.933 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.985 -1.631 -10.043 1.00 0.00 C ATOM 1133 CE LYS A 72 -2.154 -2.534 -10.381 1.00 0.00 C ATOM 1134 NZ LYS A 72 -2.884 -2.072 -11.590 1.00 0.00 N ATOM 0 H LYS A 72 -0.351 -1.519 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 72 1.826 -2.627 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.237 -0.484 -7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.159 -0.532 -8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.626 -2.876 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.757 -2.847 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.355 -0.652 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.372 -1.477 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.793 -3.550 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.840 -2.570 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.676 -2.718 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.252 -1.113 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.236 -2.062 -12.404 1.00 0.00 H new ATOM 1148 N VAL A 73 2.166 0.391 -5.948 1.00 0.00 N ATOM 1149 CA VAL A 73 3.176 1.389 -5.605 1.00 0.00 C ATOM 1150 C VAL A 73 4.268 0.781 -4.731 1.00 0.00 C ATOM 1151 O VAL A 73 5.434 1.105 -4.891 1.00 0.00 O ATOM 1152 CB VAL A 73 2.587 2.650 -4.921 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.657 3.388 -5.869 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.869 2.302 -3.629 1.00 0.00 C ATOM 0 H VAL A 73 1.224 0.604 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 73 3.607 1.715 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 73 3.419 3.307 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.254 4.270 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.210 3.694 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.838 2.730 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.470 3.211 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.052 1.613 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.570 1.832 -2.939 1.00 0.00 H new ATOM 1164 N ILE A 74 3.898 -0.129 -3.834 1.00 0.00 N ATOM 1165 CA ILE A 74 4.877 -0.775 -2.967 1.00 0.00 C ATOM 1166 C ILE A 74 5.844 -1.626 -3.793 1.00 0.00 C ATOM 1167 O ILE A 74 7.062 -1.594 -3.577 1.00 0.00 O ATOM 1168 CB ILE A 74 4.190 -1.645 -1.889 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.518 -0.750 -0.846 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.187 -2.585 -1.222 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.647 -1.502 0.137 1.00 0.00 C ATOM 0 H ILE A 74 2.935 -0.433 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 74 5.438 0.010 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 74 3.430 -2.257 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.288 -0.210 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.910 -0.004 -1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.675 -3.184 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.625 -3.243 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.976 -2.001 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.206 -0.799 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.854 -2.020 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.253 -2.229 0.678 1.00 0.00 H new ATOM 1183 N HIS A 75 5.302 -2.378 -4.744 1.00 0.00 N ATOM 1184 CA HIS A 75 6.121 -3.219 -5.611 1.00 0.00 C ATOM 1185 C HIS A 75 6.938 -2.346 -6.563 1.00 0.00 C ATOM 1186 O HIS A 75 8.084 -2.661 -6.893 1.00 0.00 O ATOM 1187 CB HIS A 75 5.231 -4.200 -6.392 1.00 0.00 C ATOM 1188 CG HIS A 75 5.872 -4.796 -7.615 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.989 -5.602 -7.570 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.555 -4.675 -8.926 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.331 -5.944 -8.795 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.476 -5.398 -9.635 1.00 0.00 N ATOM 0 H HIS A 75 4.301 -2.423 -4.935 1.00 0.00 H new ATOM 0 HA HIS A 75 6.811 -3.800 -4.999 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.933 -5.009 -5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.320 -3.682 -6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.729 -4.113 -9.336 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.171 -6.567 -9.065 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.497 -5.498 -10.650 1.00 0.00 H new ATOM 1201 N ARG A 76 6.334 -1.253 -7.000 1.00 0.00 N ATOM 1202 CA ARG A 76 6.981 -0.312 -7.900 1.00 0.00 C ATOM 1203 C ARG A 76 8.081 0.442 -7.156 1.00 0.00 C ATOM 1204 O ARG A 76 9.136 0.741 -7.712 1.00 0.00 O ATOM 1205 CB ARG A 76 5.942 0.674 -8.445 1.00 0.00 C ATOM 1206 CG ARG A 76 6.414 1.477 -9.644 1.00 0.00 C ATOM 1207 CD ARG A 76 5.468 2.627 -9.946 1.00 0.00 C ATOM 1208 NE ARG A 76 5.675 3.750 -9.035 1.00 0.00 N ATOM 1209 CZ ARG A 76 5.101 4.940 -9.174 1.00 0.00 C ATOM 1210 NH1 ARG A 76 4.189 5.140 -10.122 1.00 0.00 N ATOM 1211 NH2 ARG A 76 5.421 5.921 -8.343 1.00 0.00 N ATOM 0 H ARG A 76 5.382 -0.993 -6.741 1.00 0.00 H new ATOM 0 HA ARG A 76 7.428 -0.855 -8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.044 0.122 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.659 1.363 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.414 1.867 -9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.487 0.825 -10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.616 2.960 -10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.437 2.281 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 76 6.300 3.612 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.927 4.377 -10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.752 6.056 -10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.104 5.760 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.984 6.837 -8.444 1.00 0.00 H new ATOM 1225 N LEU A 77 7.818 0.722 -5.890 1.00 0.00 N ATOM 1226 CA LEU A 77 8.739 1.439 -5.021 1.00 0.00 C ATOM 1227 C LEU A 77 10.083 0.728 -4.903 1.00 0.00 C ATOM 1228 O LEU A 77 11.136 1.360 -4.992 1.00 0.00 O ATOM 1229 CB LEU A 77 8.108 1.586 -3.634 1.00 0.00 C ATOM 1230 CG LEU A 77 8.983 2.237 -2.566 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.289 3.677 -2.931 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.296 2.169 -1.213 1.00 0.00 C ATOM 0 H LEU A 77 6.948 0.455 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 77 8.925 2.419 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.194 2.171 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.816 0.596 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 77 9.924 1.691 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.914 4.124 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.816 3.707 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.358 4.237 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.930 2.636 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.342 2.695 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.122 1.127 -0.945 1.00 0.00 H new ATOM 1244 N THR A 78 10.039 -0.587 -4.752 1.00 0.00 N ATOM 1245 CA THR A 78 11.249 -1.376 -4.584 1.00 0.00 C ATOM 1246 C THR A 78 11.923 -1.735 -5.911 1.00 0.00 C ATOM 1247 O THR A 78 12.911 -2.470 -5.924 1.00 0.00 O ATOM 1248 CB THR A 78 10.949 -2.675 -3.807 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.535 -2.949 -3.813 1.00 0.00 O ATOM 1250 CG2 THR A 78 11.442 -2.572 -2.374 1.00 0.00 C ATOM 0 H THR A 78 9.176 -1.131 -4.742 1.00 0.00 H new ATOM 0 HA THR A 78 11.939 -0.748 -4.021 1.00 0.00 H new ATOM 0 HB THR A 78 11.474 -3.492 -4.302 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.172 -2.816 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.220 -3.499 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.519 -2.402 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.942 -1.741 -1.876 1.00 0.00 H new ATOM 1258 N HIS A 79 11.415 -1.225 -7.025 1.00 0.00 N ATOM 1259 CA HIS A 79 12.009 -1.555 -8.319 1.00 0.00 C ATOM 1260 C HIS A 79 12.194 -0.334 -9.222 1.00 0.00 C ATOM 1261 O HIS A 79 13.283 -0.105 -9.742 1.00 0.00 O ATOM 1262 CB HIS A 79 11.163 -2.613 -9.040 1.00 0.00 C ATOM 1263 CG HIS A 79 11.611 -4.019 -8.781 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.857 -4.490 -9.132 1.00 0.00 N ATOM 1265 CD2 HIS A 79 10.967 -5.061 -8.209 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.963 -5.757 -8.783 1.00 0.00 C ATOM 1267 NE2 HIS A 79 11.828 -6.130 -8.223 1.00 0.00 N ATOM 0 H HIS A 79 10.613 -0.596 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 79 13.003 -1.952 -8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.124 -2.509 -8.729 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.195 -2.422 -10.113 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.962 -5.054 -7.814 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.831 -6.383 -8.930 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.624 -7.061 -7.860 1.00 0.00 H new ATOM 1276 N TYR A 80 11.144 0.453 -9.397 1.00 0.00 N ATOM 1277 CA TYR A 80 11.208 1.615 -10.281 1.00 0.00 C ATOM 1278 C TYR A 80 11.361 2.925 -9.512 1.00 0.00 C ATOM 1279 O TYR A 80 12.126 3.801 -9.917 1.00 0.00 O ATOM 1280 CB TYR A 80 9.950 1.686 -11.152 1.00 0.00 C ATOM 1281 CG TYR A 80 9.555 0.368 -11.784 1.00 0.00 C ATOM 1282 CD1 TYR A 80 10.041 -0.001 -13.032 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.688 -0.501 -11.136 1.00 0.00 C ATOM 1284 CE1 TYR A 80 9.676 -1.201 -13.613 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.320 -1.702 -11.708 1.00 0.00 C ATOM 1286 CZ TYR A 80 8.814 -2.046 -12.946 1.00 0.00 C ATOM 1287 OH TYR A 80 8.446 -3.241 -13.518 1.00 0.00 O ATOM 0 H TYR A 80 10.241 0.313 -8.944 1.00 0.00 H new ATOM 0 HA TYR A 80 12.092 1.489 -10.905 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.121 2.047 -10.543 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.110 2.421 -11.941 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.715 0.660 -13.557 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.294 -0.233 -10.167 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.063 -1.475 -14.583 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.648 -2.368 -11.187 1.00 0.00 H new ATOM 0 HH TYR A 80 7.835 -3.717 -12.917 1.00 0.00 H new ATOM 1297 N ASP A 81 10.632 3.069 -8.411 1.00 0.00 N ATOM 1298 CA ASP A 81 10.688 4.301 -7.620 1.00 0.00 C ATOM 1299 C ASP A 81 12.070 4.524 -7.021 1.00 0.00 C ATOM 1300 O ASP A 81 12.623 5.618 -7.133 1.00 0.00 O ATOM 1301 CB ASP A 81 9.641 4.292 -6.507 1.00 0.00 C ATOM 1302 CG ASP A 81 8.258 4.663 -7.005 1.00 0.00 C ATOM 1303 OD1 ASP A 81 8.055 5.828 -7.407 1.00 0.00 O ATOM 1304 OD2 ASP A 81 7.368 3.789 -7.000 1.00 0.00 O ATOM 0 H ASP A 81 10.000 2.357 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 81 10.472 5.123 -8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.606 3.301 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.941 4.990 -5.725 1.00 0.00 H new ATOM 1309 N HIS A 82 12.609 3.491 -6.371 1.00 0.00 N ATOM 1310 CA HIS A 82 13.939 3.557 -5.749 1.00 0.00 C ATOM 1311 C HIS A 82 13.941 4.504 -4.551 1.00 0.00 C ATOM 1312 O HIS A 82 14.991 4.971 -4.116 1.00 0.00 O ATOM 1313 CB HIS A 82 15.010 3.994 -6.759 1.00 0.00 C ATOM 1314 CG HIS A 82 15.409 2.922 -7.724 1.00 0.00 C ATOM 1315 ND1 HIS A 82 15.329 3.070 -9.090 1.00 0.00 N ATOM 1316 CD2 HIS A 82 15.904 1.679 -7.514 1.00 0.00 C ATOM 1317 CE1 HIS A 82 15.751 1.969 -9.675 1.00 0.00 C ATOM 1318 NE2 HIS A 82 16.109 1.107 -8.745 1.00 0.00 N ATOM 0 H HIS A 82 12.143 2.591 -6.260 1.00 0.00 H new ATOM 0 HA HIS A 82 14.180 2.552 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.639 4.853 -7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.894 4.326 -6.215 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.101 1.222 -6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 82 15.796 1.800 -10.741 1.00 0.00 H new ATOM 0 HE2 HIS A 82 16.477 0.171 -8.912 1.00 0.00 H new ATOM 1327 N VAL A 83 12.755 4.776 -4.021 1.00 0.00 N ATOM 1328 CA VAL A 83 12.607 5.659 -2.867 1.00 0.00 C ATOM 1329 C VAL A 83 12.793 4.871 -1.576 1.00 0.00 C ATOM 1330 O VAL A 83 13.008 5.431 -0.499 1.00 0.00 O ATOM 1331 CB VAL A 83 11.216 6.327 -2.850 1.00 0.00 C ATOM 1332 CG1 VAL A 83 11.085 7.286 -1.683 1.00 0.00 C ATOM 1333 CG2 VAL A 83 10.938 7.037 -4.165 1.00 0.00 C ATOM 0 H VAL A 83 11.876 4.396 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 83 13.370 6.434 -2.944 1.00 0.00 H new ATOM 0 HB VAL A 83 10.471 5.541 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.095 7.742 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.222 6.742 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.844 8.064 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.952 7.499 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.693 7.806 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.970 6.316 -4.982 1.00 0.00 H new ATOM 1343 N LEU A 84 12.711 3.562 -1.700 1.00 0.00 N ATOM 1344 CA LEU A 84 12.851 2.678 -0.561 1.00 0.00 C ATOM 1345 C LEU A 84 14.306 2.261 -0.368 1.00 0.00 C ATOM 1346 O LEU A 84 15.010 1.929 -1.325 1.00 0.00 O ATOM 1347 CB LEU A 84 11.955 1.451 -0.749 1.00 0.00 C ATOM 1348 CG LEU A 84 11.916 0.468 0.426 1.00 0.00 C ATOM 1349 CD1 LEU A 84 10.523 -0.124 0.586 1.00 0.00 C ATOM 1350 CD2 LEU A 84 12.938 -0.642 0.228 1.00 0.00 C ATOM 0 H LEU A 84 12.547 3.084 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 84 12.539 3.211 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.939 1.793 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.288 0.914 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 84 12.166 1.015 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.517 -0.819 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.807 0.676 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.246 -0.654 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.896 -1.330 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.715 -1.182 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.936 -0.210 0.162 1.00 0.00 H new ATOM 1362 N ILE A 85 14.740 2.282 0.876 1.00 0.00 N ATOM 1363 CA ILE A 85 16.093 1.909 1.236 1.00 0.00 C ATOM 1364 C ILE A 85 16.094 0.500 1.816 1.00 0.00 C ATOM 1365 O ILE A 85 15.264 0.174 2.667 1.00 0.00 O ATOM 1366 CB ILE A 85 16.688 2.898 2.268 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.680 4.327 1.714 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.099 2.491 2.665 1.00 0.00 C ATOM 1369 CD1 ILE A 85 15.451 5.120 2.101 1.00 0.00 C ATOM 0 H ILE A 85 14.162 2.559 1.669 1.00 0.00 H new ATOM 0 HA ILE A 85 16.710 1.941 0.338 1.00 0.00 H new ATOM 0 HB ILE A 85 16.062 2.868 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.567 4.851 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 85 16.749 4.287 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.492 3.203 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.079 1.495 3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.737 2.483 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.514 6.121 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.560 4.619 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.392 5.192 3.187 1.00 0.00 H new ATOM 1381 N GLU A 86 16.992 -0.340 1.329 1.00 0.00 N ATOM 1382 CA GLU A 86 17.087 -1.705 1.814 1.00 0.00 C ATOM 1383 C GLU A 86 18.542 -2.103 2.012 1.00 0.00 C ATOM 1384 O GLU A 86 19.411 -1.739 1.216 1.00 0.00 O ATOM 1385 CB GLU A 86 16.404 -2.676 0.846 1.00 0.00 C ATOM 1386 CG GLU A 86 16.978 -2.670 -0.565 1.00 0.00 C ATOM 1387 CD GLU A 86 16.331 -3.704 -1.462 1.00 0.00 C ATOM 1388 OE1 GLU A 86 16.327 -4.901 -1.101 1.00 0.00 O ATOM 1389 OE2 GLU A 86 15.827 -3.331 -2.542 1.00 0.00 O ATOM 0 H GLU A 86 17.664 -0.101 0.600 1.00 0.00 H new ATOM 0 HA GLU A 86 16.575 -1.756 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.479 -3.685 1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.343 -2.431 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.845 -1.681 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.051 -2.856 -0.517 1.00 0.00 H new ATOM 1672 N TYR A 107 15.551 -5.120 6.004 1.00 0.00 N ATOM 1673 CA TYR A 107 14.855 -3.967 6.566 1.00 0.00 C ATOM 1674 C TYR A 107 14.527 -2.946 5.482 1.00 0.00 C ATOM 1675 O TYR A 107 15.407 -2.233 5.003 1.00 0.00 O ATOM 1676 CB TYR A 107 15.704 -3.314 7.657 1.00 0.00 C ATOM 1677 CG TYR A 107 16.031 -4.240 8.804 1.00 0.00 C ATOM 1678 CD1 TYR A 107 15.042 -5.002 9.411 1.00 0.00 C ATOM 1679 CD2 TYR A 107 17.331 -4.353 9.279 1.00 0.00 C ATOM 1680 CE1 TYR A 107 15.338 -5.850 10.457 1.00 0.00 C ATOM 1681 CE2 TYR A 107 17.634 -5.200 10.325 1.00 0.00 C ATOM 1682 CZ TYR A 107 16.635 -5.944 10.910 1.00 0.00 C ATOM 1683 OH TYR A 107 16.933 -6.793 11.951 1.00 0.00 O ATOM 0 HA TYR A 107 13.920 -4.318 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 107 16.633 -2.954 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 107 15.176 -2.442 8.044 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.024 -4.929 9.058 1.00 0.00 H new ATOM 0 HD2 TYR A 107 18.117 -3.769 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.557 -6.437 10.918 1.00 0.00 H new ATOM 0 HE2 TYR A 107 18.650 -5.279 10.683 1.00 0.00 H new ATOM 0 HH TYR A 107 17.891 -6.744 12.149 1.00 0.00 H new ATOM 1693 N LEU A 108 13.262 -2.901 5.077 1.00 0.00 N ATOM 1694 CA LEU A 108 12.828 -1.961 4.056 1.00 0.00 C ATOM 1695 C LEU A 108 12.322 -0.683 4.688 1.00 0.00 C ATOM 1696 O LEU A 108 11.331 -0.688 5.421 1.00 0.00 O ATOM 1697 CB LEU A 108 11.719 -2.557 3.196 1.00 0.00 C ATOM 1698 CG LEU A 108 12.057 -3.873 2.515 1.00 0.00 C ATOM 1699 CD1 LEU A 108 10.926 -4.290 1.593 1.00 0.00 C ATOM 1700 CD2 LEU A 108 13.361 -3.753 1.749 1.00 0.00 C ATOM 0 H LEU A 108 12.523 -3.503 5.440 1.00 0.00 H new ATOM 0 HA LEU A 108 13.691 -1.743 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.839 -2.707 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.446 -1.831 2.430 1.00 0.00 H new ATOM 0 HG LEU A 108 12.181 -4.642 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 108 11.179 -5.234 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.011 -4.412 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.775 -3.523 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.589 -4.704 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.267 -2.975 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.165 -3.493 2.438 1.00 0.00 H new ATOM 1712 N VAL A 109 12.975 0.409 4.366 1.00 0.00 N ATOM 1713 CA VAL A 109 12.606 1.707 4.900 1.00 0.00 C ATOM 1714 C VAL A 109 12.265 2.658 3.754 1.00 0.00 C ATOM 1715 O VAL A 109 12.837 2.555 2.676 1.00 0.00 O ATOM 1716 CB VAL A 109 13.731 2.291 5.806 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.105 1.899 5.290 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.638 3.807 5.933 1.00 0.00 C ATOM 0 H VAL A 109 13.773 0.427 3.731 1.00 0.00 H new ATOM 0 HA VAL A 109 11.724 1.586 5.529 1.00 0.00 H new ATOM 0 HB VAL A 109 13.587 1.863 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.872 2.320 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.194 0.813 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.237 2.283 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.442 4.168 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.728 4.261 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.677 4.077 6.370 1.00 0.00 H new ATOM 1728 N VAL A 110 11.326 3.565 3.978 1.00 0.00 N ATOM 1729 CA VAL A 110 10.913 4.497 2.938 1.00 0.00 C ATOM 1730 C VAL A 110 11.208 5.942 3.348 1.00 0.00 C ATOM 1731 O VAL A 110 11.155 6.281 4.531 1.00 0.00 O ATOM 1732 CB VAL A 110 9.409 4.328 2.603 1.00 0.00 C ATOM 1733 CG1 VAL A 110 8.530 4.782 3.761 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.052 5.074 1.322 1.00 0.00 C ATOM 0 H VAL A 110 10.837 3.676 4.866 1.00 0.00 H new ATOM 0 HA VAL A 110 11.491 4.269 2.042 1.00 0.00 H new ATOM 0 HB VAL A 110 9.221 3.267 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.481 4.651 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.757 4.187 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.722 5.834 3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.992 4.941 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.267 6.135 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.642 4.680 0.495 1.00 0.00 H new ATOM 1744 N ASN A 111 11.542 6.776 2.370 1.00 0.00 N ATOM 1745 CA ASN A 111 11.840 8.180 2.625 1.00 0.00 C ATOM 1746 C ASN A 111 10.741 9.071 2.050 1.00 0.00 C ATOM 1747 O ASN A 111 10.015 8.661 1.149 1.00 0.00 O ATOM 1748 CB ASN A 111 13.193 8.559 2.014 1.00 0.00 C ATOM 1749 CG ASN A 111 14.326 8.467 3.017 1.00 0.00 C ATOM 1750 OD1 ASN A 111 14.097 8.336 4.218 1.00 0.00 O ATOM 1751 ND2 ASN A 111 15.556 8.558 2.535 1.00 0.00 N ATOM 0 H ASN A 111 11.613 6.503 1.390 1.00 0.00 H new ATOM 0 HA ASN A 111 11.887 8.330 3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.404 7.902 1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.140 9.575 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.356 8.520 3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.704 8.666 1.532 1.00 0.00 H new ATOM 1758 N PRO A 112 10.609 10.309 2.559 1.00 0.00 N ATOM 1759 CA PRO A 112 9.590 11.263 2.096 1.00 0.00 C ATOM 1760 C PRO A 112 9.812 11.732 0.656 1.00 0.00 C ATOM 1761 O PRO A 112 9.000 12.473 0.105 1.00 0.00 O ATOM 1762 CB PRO A 112 9.727 12.449 3.064 1.00 0.00 C ATOM 1763 CG PRO A 112 10.518 11.929 4.217 1.00 0.00 C ATOM 1764 CD PRO A 112 11.420 10.873 3.649 1.00 0.00 C ATOM 0 HA PRO A 112 8.601 10.805 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.233 13.289 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.750 12.807 3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.095 12.726 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.865 11.514 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 112 12.356 11.294 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.680 10.119 4.392 1.00 0.00 H new ATOM 1772 N ASN A 113 10.899 11.276 0.038 1.00 0.00 N ATOM 1773 CA ASN A 113 11.228 11.657 -1.337 1.00 0.00 C ATOM 1774 C ASN A 113 10.513 10.753 -2.334 1.00 0.00 C ATOM 1775 O ASN A 113 10.956 10.591 -3.473 1.00 0.00 O ATOM 1776 CB ASN A 113 12.739 11.578 -1.572 1.00 0.00 C ATOM 1777 CG ASN A 113 13.530 12.367 -0.554 1.00 0.00 C ATOM 1778 OD1 ASN A 113 14.115 11.672 0.406 1.00 0.00 O flip ATOM 1779 ND2 ASN A 113 13.627 13.589 -0.639 1.00 0.00 N flip ATOM 0 H ASN A 113 11.570 10.640 0.468 1.00 0.00 H new ATOM 0 HA ASN A 113 10.895 12.684 -1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 113 13.053 10.535 -1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.967 11.950 -2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.159 14.086 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.176 14.106 0.048 1.00 0.00 H new ATOM 1786 N TYR A 114 9.412 10.163 -1.896 1.00 0.00 N ATOM 1787 CA TYR A 114 8.628 9.262 -2.732 1.00 0.00 C ATOM 1788 C TYR A 114 8.037 10.002 -3.931 1.00 0.00 C ATOM 1789 O TYR A 114 8.217 9.587 -5.077 1.00 0.00 O ATOM 1790 CB TYR A 114 7.522 8.614 -1.891 1.00 0.00 C ATOM 1791 CG TYR A 114 6.976 7.312 -2.452 1.00 0.00 C ATOM 1792 CD1 TYR A 114 7.025 7.031 -3.812 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.390 6.374 -1.614 1.00 0.00 C ATOM 1794 CE1 TYR A 114 6.510 5.857 -4.319 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.874 5.194 -2.115 1.00 0.00 C ATOM 1796 CZ TYR A 114 5.936 4.942 -3.468 1.00 0.00 C ATOM 1797 OH TYR A 114 5.419 3.774 -3.973 1.00 0.00 O ATOM 0 H TYR A 114 9.037 10.293 -0.957 1.00 0.00 H new ATOM 0 HA TYR A 114 9.283 8.482 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 114 7.909 8.428 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.700 9.323 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.475 7.746 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.336 6.569 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.557 5.657 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 114 5.424 4.473 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 114 5.051 3.236 -3.241 1.00 0.00 H new ATOM 1807 N LEU A 115 7.350 11.100 -3.664 1.00 0.00 N ATOM 1808 CA LEU A 115 6.724 11.891 -4.721 1.00 0.00 C ATOM 1809 C LEU A 115 6.691 13.365 -4.350 1.00 0.00 C ATOM 1810 O LEU A 115 7.204 13.760 -3.304 1.00 0.00 O ATOM 1811 CB LEU A 115 5.293 11.398 -5.044 1.00 0.00 C ATOM 1812 CG LEU A 115 4.408 10.909 -3.875 1.00 0.00 C ATOM 1813 CD1 LEU A 115 4.612 9.423 -3.634 1.00 0.00 C ATOM 1814 CD2 LEU A 115 4.656 11.689 -2.589 1.00 0.00 C ATOM 0 H LEU A 115 7.209 11.468 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 115 7.334 11.762 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.766 12.211 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.376 10.583 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 115 3.373 11.088 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.980 9.098 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.345 8.869 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.657 9.234 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.009 11.305 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.698 11.576 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.438 12.744 -2.756 1.00 0.00 H new ATOM 2020 N LEU B 390 -4.918 -9.035 -2.771 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.249 -8.807 -3.331 1.00 0.00 C ATOM 2022 C LEU B 390 -7.049 -10.105 -3.376 1.00 0.00 C ATOM 2023 O LEU B 390 -8.261 -10.093 -3.590 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.153 -8.193 -4.731 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.406 -7.445 -5.201 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.317 -5.963 -4.856 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.613 -7.635 -6.693 1.00 0.00 C ATOM 0 HA LEU B 390 -6.770 -8.104 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.309 -7.504 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -5.934 -8.987 -5.445 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.266 -7.863 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.218 -5.455 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.224 -5.846 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.446 -5.527 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.507 -7.097 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.748 -7.249 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.733 -8.696 -6.912 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.369 -11.226 -3.161 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.021 -12.527 -3.167 1.00 0.00 C ATOM 2041 C GLU B 391 -7.933 -12.670 -1.955 1.00 0.00 C ATOM 2042 O GLU B 391 -8.900 -13.428 -1.979 1.00 0.00 O ATOM 2043 CB GLU B 391 -5.985 -13.648 -3.184 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.164 -13.686 -4.460 1.00 0.00 C ATOM 2045 CD GLU B 391 -4.392 -14.975 -4.616 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.994 -15.984 -5.041 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -3.179 -14.987 -4.329 1.00 0.00 O ATOM 0 H GLU B 391 -5.366 -11.258 -2.980 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.626 -12.602 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.315 -13.528 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.492 -14.604 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -5.825 -13.557 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -4.468 -12.847 -4.465 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.626 -11.923 -0.901 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.426 -11.953 0.316 1.00 0.00 C ATOM 2056 C ARG B 392 -9.815 -11.382 0.049 1.00 0.00 C ATOM 2057 O ARG B 392 -10.802 -11.789 0.662 1.00 0.00 O ATOM 2058 CB ARG B 392 -7.736 -11.151 1.421 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.523 -11.084 2.719 1.00 0.00 C ATOM 2060 CD ARG B 392 -8.851 -12.473 3.235 1.00 0.00 C ATOM 2061 NE ARG B 392 -9.466 -12.450 4.560 1.00 0.00 N ATOM 2062 CZ ARG B 392 -9.539 -13.517 5.356 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -9.080 -14.692 4.934 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -10.092 -13.423 6.558 1.00 0.00 N ATOM 0 H ARG B 392 -6.828 -11.289 -0.865 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.527 -12.989 0.641 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -6.760 -11.594 1.622 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.558 -10.137 1.063 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -7.947 -10.541 3.469 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.445 -10.525 2.560 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -9.524 -12.967 2.535 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -7.938 -13.067 3.273 1.00 0.00 H new ATOM 0 HE ARG B 392 -9.861 -11.571 4.894 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -8.673 -14.776 4.003 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -9.135 -15.509 5.542 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -10.465 -12.530 6.879 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -10.144 -14.244 7.161 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.883 -10.452 -0.891 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.135 -9.807 -1.251 1.00 0.00 C ATOM 2080 C ILE B 393 -12.106 -10.793 -1.900 1.00 0.00 C ATOM 2081 O ILE B 393 -13.320 -10.585 -1.887 1.00 0.00 O ATOM 2082 CB ILE B 393 -10.895 -8.608 -2.193 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -9.749 -7.748 -1.653 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.164 -7.782 -2.340 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.569 -6.442 -2.390 1.00 0.00 C ATOM 0 H ILE B 393 -9.076 -10.125 -1.423 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.583 -9.441 -0.327 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.620 -8.981 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -9.930 -7.538 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -8.821 -8.318 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.976 -6.941 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.957 -8.404 -2.755 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -12.470 -7.408 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -8.739 -5.888 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.356 -6.643 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -10.482 -5.851 -2.312 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.573 -11.889 -2.434 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.406 -12.905 -3.066 1.00 0.00 C ATOM 2099 C ARG B 394 -13.317 -13.557 -2.031 1.00 0.00 C ATOM 2100 O ARG B 394 -14.396 -14.054 -2.358 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.535 -13.946 -3.768 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.691 -13.365 -4.894 1.00 0.00 C ATOM 2103 CD ARG B 394 -11.514 -13.090 -6.149 1.00 0.00 C ATOM 2104 NE ARG B 394 -12.512 -12.035 -5.950 1.00 0.00 N ATOM 2105 CZ ARG B 394 -13.793 -12.139 -6.313 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -14.237 -13.242 -6.913 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -14.633 -11.141 -6.074 1.00 0.00 N ATOM 0 H ARG B 394 -10.574 -12.095 -2.441 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.034 -12.430 -3.819 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -10.878 -14.414 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -12.174 -14.732 -4.171 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.226 -12.439 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -9.884 -14.057 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -10.846 -12.804 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -12.017 -14.007 -6.457 1.00 0.00 H new ATOM 0 HE ARG B 394 -12.209 -11.168 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -13.597 -14.015 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -15.217 -13.314 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -14.301 -10.294 -5.613 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -15.611 -11.220 -6.351 1.00 0.00 H new ATOM 2121 N ALA B 395 -12.868 -13.550 -0.781 1.00 0.00 N ATOM 2122 CA ALA B 395 -13.652 -14.089 0.317 1.00 0.00 C ATOM 2123 C ALA B 395 -14.298 -12.937 1.074 1.00 0.00 C ATOM 2124 O ALA B 395 -15.331 -13.103 1.726 1.00 0.00 O ATOM 2125 CB ALA B 395 -12.786 -14.925 1.251 1.00 0.00 C ATOM 0 H ALA B 395 -11.961 -13.175 -0.505 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.425 -14.744 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.399 -15.316 2.063 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.348 -15.754 0.696 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -11.991 -14.304 1.663 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.681 -11.759 0.953 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.164 -10.543 1.603 1.00 0.00 C ATOM 2133 C LYS B 396 -15.582 -10.225 1.147 1.00 0.00 C ATOM 2134 O LYS B 396 -16.368 -9.649 1.897 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.219 -9.374 1.289 1.00 0.00 C ATOM 2136 CG LYS B 396 -13.563 -8.069 1.997 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.374 -7.134 1.103 1.00 0.00 C ATOM 2138 CE LYS B 396 -14.506 -5.739 1.708 1.00 0.00 C ATOM 2139 NZ LYS B 396 -14.495 -5.755 3.198 1.00 0.00 N ATOM 0 H LYS B 396 -12.834 -11.624 0.402 1.00 0.00 H new ATOM 0 HA LYS B 396 -14.181 -10.700 2.682 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -12.204 -9.662 1.561 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.224 -9.200 0.213 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -14.128 -8.286 2.903 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -12.644 -7.570 2.306 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.897 -7.062 0.126 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -15.366 -7.555 0.943 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -13.689 -5.113 1.349 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -15.433 -5.283 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -14.821 -4.835 3.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -15.128 -6.505 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -13.528 -5.936 3.536 1.00 0.00 H new