USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 393 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 16 THR OG1 : rot -170:sc= -0.444 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 26:sc= 0.959 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0827 X(o=-0.083,f=-0.083) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0.0159 (180deg=0.00866) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 67 SER OG : rot 180:sc= -0.25 USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0697) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 9.865 1.057 -21.371 1.00 0.00 N ATOM 169 CA PHE A 14 10.334 0.182 -20.302 1.00 0.00 C ATOM 170 C PHE A 14 9.199 -0.691 -19.777 1.00 0.00 C ATOM 171 O PHE A 14 8.033 -0.479 -20.111 1.00 0.00 O ATOM 172 CB PHE A 14 10.927 1.010 -19.160 1.00 0.00 C ATOM 173 CG PHE A 14 12.117 1.831 -19.569 1.00 0.00 C ATOM 174 CD1 PHE A 14 13.196 1.241 -20.205 1.00 0.00 C ATOM 175 CD2 PHE A 14 12.155 3.193 -19.316 1.00 0.00 C ATOM 176 CE1 PHE A 14 14.292 1.993 -20.582 1.00 0.00 C ATOM 177 CE2 PHE A 14 13.248 3.951 -19.691 1.00 0.00 C ATOM 178 CZ PHE A 14 14.318 3.350 -20.325 1.00 0.00 C ATOM 0 HA PHE A 14 11.108 -0.467 -20.711 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.157 1.673 -18.765 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.218 0.341 -18.350 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.181 0.181 -20.409 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.321 3.667 -18.820 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.127 1.520 -21.077 1.00 0.00 H new ATOM 0 HE2 PHE A 14 13.266 5.012 -19.489 1.00 0.00 H new ATOM 0 HZ PHE A 14 15.173 3.940 -20.619 1.00 0.00 H new ATOM 188 N ILE A 15 9.549 -1.674 -18.954 1.00 0.00 N ATOM 189 CA ILE A 15 8.560 -2.579 -18.382 1.00 0.00 C ATOM 190 C ILE A 15 8.838 -2.834 -16.904 1.00 0.00 C ATOM 191 O ILE A 15 9.980 -3.069 -16.506 1.00 0.00 O ATOM 192 CB ILE A 15 8.533 -3.926 -19.127 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.437 -4.828 -18.555 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.889 -4.609 -19.037 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.312 -6.155 -19.271 1.00 0.00 C ATOM 0 H ILE A 15 10.510 -1.864 -18.669 1.00 0.00 H new ATOM 0 HA ILE A 15 7.590 -2.094 -18.489 1.00 0.00 H new ATOM 0 HB ILE A 15 8.312 -3.739 -20.178 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.642 -5.011 -17.500 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.482 -4.304 -18.608 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.853 -5.560 -19.569 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.649 -3.970 -19.487 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.138 -4.787 -17.991 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.516 -6.742 -18.813 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.076 -5.981 -20.321 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.254 -6.699 -19.196 1.00 0.00 H new ATOM 207 N THR A 16 7.786 -2.788 -16.093 1.00 0.00 N ATOM 208 CA THR A 16 7.915 -3.014 -14.659 1.00 0.00 C ATOM 209 C THR A 16 8.512 -4.387 -14.371 1.00 0.00 C ATOM 210 O THR A 16 8.253 -5.350 -15.091 1.00 0.00 O ATOM 211 CB THR A 16 6.554 -2.899 -13.947 1.00 0.00 C ATOM 212 OG1 THR A 16 5.564 -2.413 -14.859 1.00 0.00 O ATOM 213 CG2 THR A 16 6.648 -1.966 -12.749 1.00 0.00 C ATOM 0 H THR A 16 6.834 -2.596 -16.405 1.00 0.00 H new ATOM 0 HA THR A 16 8.583 -2.242 -14.276 1.00 0.00 H new ATOM 0 HB THR A 16 6.268 -3.890 -13.595 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.746 -2.193 -14.367 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.675 -1.900 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.382 -2.354 -12.043 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.954 -0.975 -13.083 1.00 0.00 H new ATOM 221 N GLY A 17 9.312 -4.469 -13.312 1.00 0.00 N ATOM 222 CA GLY A 17 9.933 -5.729 -12.948 1.00 0.00 C ATOM 223 C GLY A 17 8.927 -6.857 -12.826 1.00 0.00 C ATOM 224 O GLY A 17 8.931 -7.791 -13.629 1.00 0.00 O ATOM 0 H GLY A 17 9.541 -3.686 -12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.680 -5.992 -13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.459 -5.611 -12.001 1.00 0.00 H new ATOM 228 N VAL A 18 8.064 -6.772 -11.819 1.00 0.00 N ATOM 229 CA VAL A 18 7.048 -7.794 -11.595 1.00 0.00 C ATOM 230 C VAL A 18 6.249 -8.063 -12.865 1.00 0.00 C ATOM 231 O VAL A 18 5.926 -9.209 -13.176 1.00 0.00 O ATOM 232 CB VAL A 18 6.080 -7.385 -10.469 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.023 -8.458 -10.258 1.00 0.00 C ATOM 234 CG2 VAL A 18 6.843 -7.116 -9.181 1.00 0.00 C ATOM 0 H VAL A 18 8.048 -6.006 -11.145 1.00 0.00 H new ATOM 0 HA VAL A 18 7.573 -8.703 -11.301 1.00 0.00 H new ATOM 0 HB VAL A 18 5.576 -6.465 -10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.348 -8.152 -9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.456 -8.596 -11.179 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.506 -9.396 -9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.143 -6.828 -8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.376 -8.017 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.558 -6.309 -9.343 1.00 0.00 H new ATOM 244 N ARG A 19 5.934 -6.998 -13.596 1.00 0.00 N ATOM 245 CA ARG A 19 5.172 -7.119 -14.833 1.00 0.00 C ATOM 246 C ARG A 19 5.815 -8.137 -15.770 1.00 0.00 C ATOM 247 O ARG A 19 5.125 -8.831 -16.516 1.00 0.00 O ATOM 248 CB ARG A 19 5.072 -5.761 -15.530 1.00 0.00 C ATOM 249 CG ARG A 19 3.740 -5.062 -15.312 1.00 0.00 C ATOM 250 CD ARG A 19 2.754 -5.383 -16.424 1.00 0.00 C ATOM 251 NE ARG A 19 1.382 -5.045 -16.054 1.00 0.00 N ATOM 252 CZ ARG A 19 0.636 -5.788 -15.244 1.00 0.00 C ATOM 253 NH1 ARG A 19 1.127 -6.903 -14.721 1.00 0.00 N ATOM 254 NH2 ARG A 19 -0.604 -5.415 -14.954 1.00 0.00 N ATOM 0 H ARG A 19 6.195 -6.042 -13.353 1.00 0.00 H new ATOM 0 HA ARG A 19 4.170 -7.465 -14.581 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.874 -5.117 -15.169 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.230 -5.898 -16.600 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.321 -5.367 -14.353 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.897 -3.984 -15.263 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.032 -4.835 -17.324 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.813 -6.444 -16.666 1.00 0.00 H new ATOM 0 HE ARG A 19 0.975 -4.192 -16.438 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.080 -7.193 -14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.552 -7.471 -14.099 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.985 -4.557 -15.353 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.176 -5.986 -14.332 1.00 0.00 H new ATOM 268 N ALA A 20 7.141 -8.219 -15.727 1.00 0.00 N ATOM 269 CA ALA A 20 7.876 -9.153 -16.571 1.00 0.00 C ATOM 270 C ALA A 20 8.040 -10.504 -15.882 1.00 0.00 C ATOM 271 O ALA A 20 7.953 -11.552 -16.522 1.00 0.00 O ATOM 272 CB ALA A 20 9.236 -8.576 -16.935 1.00 0.00 C ATOM 0 H ALA A 20 7.728 -7.650 -15.117 1.00 0.00 H new ATOM 0 HA ALA A 20 7.302 -9.308 -17.485 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.775 -9.284 -17.565 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.101 -7.639 -17.475 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.808 -8.392 -16.026 1.00 0.00 H new ATOM 278 N ILE A 21 8.278 -10.471 -14.575 1.00 0.00 N ATOM 279 CA ILE A 21 8.453 -11.693 -13.800 1.00 0.00 C ATOM 280 C ILE A 21 7.220 -12.585 -13.894 1.00 0.00 C ATOM 281 O ILE A 21 7.308 -13.801 -13.730 1.00 0.00 O ATOM 282 CB ILE A 21 8.738 -11.384 -12.319 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.989 -10.513 -12.188 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.901 -12.676 -11.531 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.109 -9.827 -10.846 1.00 0.00 C ATOM 0 H ILE A 21 8.354 -9.612 -14.031 1.00 0.00 H new ATOM 0 HA ILE A 21 9.310 -12.216 -14.225 1.00 0.00 H new ATOM 0 HB ILE A 21 7.891 -10.834 -11.908 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.871 -11.132 -12.351 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.980 -9.758 -12.974 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.102 -12.442 -10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.985 -13.263 -11.602 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.732 -13.250 -11.941 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.019 -9.227 -10.824 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.245 -9.182 -10.689 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.150 -10.577 -10.056 1.00 0.00 H new ATOM 297 N ASN A 22 6.072 -11.972 -14.162 1.00 0.00 N ATOM 298 CA ASN A 22 4.820 -12.711 -14.280 1.00 0.00 C ATOM 299 C ASN A 22 4.558 -13.110 -15.729 1.00 0.00 C ATOM 300 O ASN A 22 4.295 -14.276 -16.023 1.00 0.00 O ATOM 301 CB ASN A 22 3.656 -11.870 -13.753 1.00 0.00 C ATOM 302 CG ASN A 22 3.249 -12.263 -12.346 1.00 0.00 C ATOM 303 OD1 ASN A 22 2.354 -13.086 -12.154 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.907 -11.675 -11.353 1.00 0.00 N ATOM 0 H ASN A 22 5.982 -10.966 -14.302 1.00 0.00 H new ATOM 0 HA ASN A 22 4.905 -13.618 -13.682 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.937 -10.817 -13.766 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.801 -11.980 -14.420 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.677 -11.900 -10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.642 -10.998 -11.558 1.00 0.00 H new ATOM 311 N GLU A 23 4.634 -12.135 -16.629 1.00 0.00 N ATOM 312 CA GLU A 23 4.405 -12.385 -18.047 1.00 0.00 C ATOM 313 C GLU A 23 5.416 -13.389 -18.593 1.00 0.00 C ATOM 314 O GLU A 23 5.046 -14.452 -19.091 1.00 0.00 O ATOM 315 CB GLU A 23 4.488 -11.079 -18.839 1.00 0.00 C ATOM 316 CG GLU A 23 3.268 -10.189 -18.675 1.00 0.00 C ATOM 317 CD GLU A 23 2.574 -9.901 -19.992 1.00 0.00 C ATOM 318 OE1 GLU A 23 3.261 -9.476 -20.945 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.344 -10.103 -20.071 1.00 0.00 O ATOM 0 H GLU A 23 4.852 -11.165 -16.401 1.00 0.00 H new ATOM 0 HA GLU A 23 3.405 -12.805 -18.158 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.374 -10.528 -18.523 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.618 -11.312 -19.896 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.563 -10.667 -17.994 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.569 -9.248 -18.214 1.00 0.00 H new ATOM 326 N PHE A 24 6.696 -13.043 -18.495 1.00 0.00 N ATOM 327 CA PHE A 24 7.762 -13.912 -18.980 1.00 0.00 C ATOM 328 C PHE A 24 7.949 -15.111 -18.055 1.00 0.00 C ATOM 329 O PHE A 24 8.576 -16.104 -18.427 1.00 0.00 O ATOM 330 CB PHE A 24 9.073 -13.132 -19.093 1.00 0.00 C ATOM 331 CG PHE A 24 9.057 -12.085 -20.170 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.617 -10.799 -19.899 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.482 -12.387 -21.454 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.601 -9.835 -20.889 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.468 -11.427 -22.448 1.00 0.00 C ATOM 336 CZ PHE A 24 9.028 -10.149 -22.165 1.00 0.00 C ATOM 0 H PHE A 24 7.020 -12.167 -18.084 1.00 0.00 H new ATOM 0 HA PHE A 24 7.478 -14.277 -19.967 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.286 -12.655 -18.137 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.886 -13.831 -19.289 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.283 -10.548 -18.903 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.828 -13.385 -21.681 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.255 -8.837 -20.665 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.801 -11.676 -23.445 1.00 0.00 H new ATOM 0 HZ PHE A 24 9.018 -9.396 -22.940 1.00 0.00 H new ATOM 346 N CYS A 25 7.401 -15.012 -16.849 1.00 0.00 N ATOM 347 CA CYS A 25 7.508 -16.087 -15.870 1.00 0.00 C ATOM 348 C CYS A 25 8.968 -16.402 -15.565 1.00 0.00 C ATOM 349 O CYS A 25 9.436 -17.518 -15.798 1.00 0.00 O ATOM 350 CB CYS A 25 6.798 -17.342 -16.380 1.00 0.00 C ATOM 351 SG CYS A 25 5.010 -17.341 -16.111 1.00 0.00 S ATOM 0 H CYS A 25 6.878 -14.198 -16.526 1.00 0.00 H new ATOM 0 HA CYS A 25 7.028 -15.756 -14.949 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.994 -17.449 -17.447 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.228 -18.215 -15.888 1.00 0.00 H new ATOM 0 HG CYS A 25 4.581 -16.115 -16.052 1.00 0.00 H new ATOM 357 N LEU A 26 9.685 -15.412 -15.045 1.00 0.00 N ATOM 358 CA LEU A 26 11.095 -15.583 -14.710 1.00 0.00 C ATOM 359 C LEU A 26 11.302 -15.559 -13.199 1.00 0.00 C ATOM 360 O LEU A 26 10.341 -15.567 -12.429 1.00 0.00 O ATOM 361 CB LEU A 26 11.932 -14.485 -15.368 1.00 0.00 C ATOM 362 CG LEU A 26 11.664 -14.235 -16.852 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.099 -12.832 -17.245 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.377 -15.275 -17.705 1.00 0.00 C ATOM 0 H LEU A 26 9.314 -14.483 -14.846 1.00 0.00 H new ATOM 0 HA LEU A 26 11.418 -16.553 -15.087 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.763 -13.554 -14.827 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.985 -14.737 -15.247 1.00 0.00 H new ATOM 0 HG LEU A 26 10.592 -14.323 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.900 -12.673 -18.305 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.543 -12.101 -16.658 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.166 -12.715 -17.054 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.175 -15.082 -18.759 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.451 -15.219 -17.525 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.016 -16.270 -17.443 1.00 0.00 H new ATOM 376 N LYS A 27 12.563 -15.527 -12.780 1.00 0.00 N ATOM 377 CA LYS A 27 12.898 -15.498 -11.361 1.00 0.00 C ATOM 378 C LYS A 27 13.090 -14.064 -10.877 1.00 0.00 C ATOM 379 O LYS A 27 13.535 -13.199 -11.630 1.00 0.00 O ATOM 380 CB LYS A 27 14.168 -16.310 -11.099 1.00 0.00 C ATOM 381 CG LYS A 27 14.049 -17.771 -11.500 1.00 0.00 C ATOM 382 CD LYS A 27 14.831 -18.672 -10.559 1.00 0.00 C ATOM 383 CE LYS A 27 16.148 -19.114 -11.178 1.00 0.00 C ATOM 384 NZ LYS A 27 16.674 -20.351 -10.538 1.00 0.00 N ATOM 0 H LYS A 27 13.370 -15.520 -13.404 1.00 0.00 H new ATOM 0 HA LYS A 27 12.070 -15.942 -10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.997 -15.859 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.414 -16.252 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.000 -18.065 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.415 -17.901 -12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.025 -18.144 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.232 -19.548 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.007 -19.289 -12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.882 -18.314 -11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.572 -20.620 -10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.832 -20.177 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.985 -21.122 -10.654 1.00 0.00 H new ATOM 398 N SER A 28 12.753 -13.821 -9.614 1.00 0.00 N ATOM 399 CA SER A 28 12.886 -12.491 -9.030 1.00 0.00 C ATOM 400 C SER A 28 14.345 -12.045 -9.023 1.00 0.00 C ATOM 401 O SER A 28 14.641 -10.851 -9.070 1.00 0.00 O ATOM 402 CB SER A 28 12.331 -12.479 -7.604 1.00 0.00 C ATOM 403 OG SER A 28 11.675 -11.255 -7.323 1.00 0.00 O ATOM 0 H SER A 28 12.386 -14.527 -8.976 1.00 0.00 H new ATOM 0 HA SER A 28 12.313 -11.794 -9.641 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.634 -13.307 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.143 -12.632 -6.893 1.00 0.00 H new ATOM 0 HG SER A 28 11.328 -11.273 -6.407 1.00 0.00 H new ATOM 409 N SER A 29 15.253 -13.014 -8.964 1.00 0.00 N ATOM 410 CA SER A 29 16.682 -12.722 -8.947 1.00 0.00 C ATOM 411 C SER A 29 17.219 -12.552 -10.366 1.00 0.00 C ATOM 412 O SER A 29 18.195 -11.836 -10.590 1.00 0.00 O ATOM 413 CB SER A 29 17.444 -13.839 -8.232 1.00 0.00 C ATOM 414 OG SER A 29 18.693 -14.084 -8.854 1.00 0.00 O ATOM 0 H SER A 29 15.025 -14.007 -8.927 1.00 0.00 H new ATOM 0 HA SER A 29 16.830 -11.787 -8.406 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.601 -13.566 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.847 -14.751 -8.236 1.00 0.00 H new ATOM 0 HG SER A 29 19.161 -14.801 -8.377 1.00 0.00 H new ATOM 420 N ASP A 30 16.574 -13.216 -11.319 1.00 0.00 N ATOM 421 CA ASP A 30 16.984 -13.140 -12.716 1.00 0.00 C ATOM 422 C ASP A 30 16.896 -11.706 -13.230 1.00 0.00 C ATOM 423 O ASP A 30 17.836 -11.194 -13.839 1.00 0.00 O ATOM 424 CB ASP A 30 16.115 -14.058 -13.576 1.00 0.00 C ATOM 425 CG ASP A 30 16.844 -15.321 -13.993 1.00 0.00 C ATOM 426 OD1 ASP A 30 17.971 -15.209 -14.519 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.286 -16.421 -13.795 1.00 0.00 O ATOM 0 H ASP A 30 15.765 -13.813 -11.149 1.00 0.00 H new ATOM 0 HA ASP A 30 18.021 -13.468 -12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.216 -14.327 -13.021 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.791 -13.518 -14.466 1.00 0.00 H new ATOM 432 N LEU A 31 15.760 -11.064 -12.982 1.00 0.00 N ATOM 433 CA LEU A 31 15.547 -9.689 -13.421 1.00 0.00 C ATOM 434 C LEU A 31 16.671 -8.781 -12.932 1.00 0.00 C ATOM 435 O LEU A 31 17.182 -7.951 -13.683 1.00 0.00 O ATOM 436 CB LEU A 31 14.200 -9.172 -12.912 1.00 0.00 C ATOM 437 CG LEU A 31 12.986 -9.487 -13.786 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.036 -8.686 -15.078 1.00 0.00 C ATOM 439 CD2 LEU A 31 12.915 -10.978 -14.083 1.00 0.00 C ATOM 0 H LEU A 31 14.972 -11.473 -12.479 1.00 0.00 H new ATOM 0 HA LEU A 31 15.544 -9.678 -14.511 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.026 -9.588 -11.920 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.269 -8.090 -12.797 1.00 0.00 H new ATOM 0 HG LEU A 31 12.086 -9.202 -13.241 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.164 -8.923 -15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.038 -7.621 -14.846 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.942 -8.939 -15.628 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.045 -11.184 -14.706 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.819 -11.288 -14.608 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.831 -11.532 -13.148 1.00 0.00 H new ATOM 451 N GLU A 32 17.051 -8.946 -11.669 1.00 0.00 N ATOM 452 CA GLU A 32 18.115 -8.142 -11.081 1.00 0.00 C ATOM 453 C GLU A 32 19.412 -8.295 -11.870 1.00 0.00 C ATOM 454 O GLU A 32 20.253 -7.396 -11.881 1.00 0.00 O ATOM 455 CB GLU A 32 18.343 -8.545 -9.622 1.00 0.00 C ATOM 456 CG GLU A 32 17.068 -8.590 -8.797 1.00 0.00 C ATOM 457 CD GLU A 32 17.297 -8.205 -7.348 1.00 0.00 C ATOM 458 OE1 GLU A 32 17.570 -7.015 -7.087 1.00 0.00 O ATOM 459 OE2 GLU A 32 17.203 -9.094 -6.476 1.00 0.00 O ATOM 0 H GLU A 32 16.638 -9.629 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 32 17.808 -7.097 -11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.818 -9.526 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.038 -7.841 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.332 -7.917 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.647 -9.595 -8.840 1.00 0.00 H new ATOM 466 N GLN A 33 19.566 -9.439 -12.529 1.00 0.00 N ATOM 467 CA GLN A 33 20.760 -9.710 -13.320 1.00 0.00 C ATOM 468 C GLN A 33 20.864 -8.746 -14.497 1.00 0.00 C ATOM 469 O GLN A 33 21.960 -8.444 -14.972 1.00 0.00 O ATOM 470 CB GLN A 33 20.746 -11.153 -13.826 1.00 0.00 C ATOM 471 CG GLN A 33 22.118 -11.672 -14.224 1.00 0.00 C ATOM 472 CD GLN A 33 23.019 -11.914 -13.029 1.00 0.00 C ATOM 473 OE1 GLN A 33 23.912 -11.117 -12.739 1.00 0.00 O ATOM 474 NE2 GLN A 33 22.789 -13.017 -12.327 1.00 0.00 N ATOM 0 H GLN A 33 18.879 -10.193 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 33 21.630 -9.566 -12.679 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.334 -11.797 -13.049 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.078 -11.222 -14.684 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.003 -12.601 -14.782 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.593 -10.955 -14.894 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.038 -13.650 -12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.363 -13.232 -11.512 1.00 0.00 H new ATOM 483 N LEU A 34 19.717 -8.266 -14.965 1.00 0.00 N ATOM 484 CA LEU A 34 19.678 -7.336 -16.088 1.00 0.00 C ATOM 485 C LEU A 34 20.206 -5.965 -15.679 1.00 0.00 C ATOM 486 O LEU A 34 20.675 -5.780 -14.555 1.00 0.00 O ATOM 487 CB LEU A 34 18.249 -7.207 -16.619 1.00 0.00 C ATOM 488 CG LEU A 34 17.611 -8.491 -17.151 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.098 -8.433 -17.011 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.007 -8.721 -18.602 1.00 0.00 C ATOM 0 H LEU A 34 18.802 -8.506 -14.584 1.00 0.00 H new ATOM 0 HA LEU A 34 20.318 -7.731 -16.877 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.620 -6.817 -15.819 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.245 -6.465 -17.418 1.00 0.00 H new ATOM 0 HG LEU A 34 17.977 -9.329 -16.558 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.661 -9.355 -17.395 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.834 -8.317 -15.960 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.712 -7.586 -17.578 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.544 -9.639 -18.964 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.670 -7.881 -19.209 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.091 -8.808 -18.674 1.00 0.00 H new ATOM 502 N ARG A 35 20.126 -5.007 -16.596 1.00 0.00 N ATOM 503 CA ARG A 35 20.595 -3.653 -16.330 1.00 0.00 C ATOM 504 C ARG A 35 19.545 -2.854 -15.563 1.00 0.00 C ATOM 505 O ARG A 35 18.518 -2.464 -16.118 1.00 0.00 O ATOM 506 CB ARG A 35 20.935 -2.941 -17.641 1.00 0.00 C ATOM 507 CG ARG A 35 21.827 -1.724 -17.460 1.00 0.00 C ATOM 508 CD ARG A 35 22.106 -1.035 -18.786 1.00 0.00 C ATOM 509 NE ARG A 35 23.127 0.002 -18.661 1.00 0.00 N ATOM 510 CZ ARG A 35 22.909 1.182 -18.091 1.00 0.00 C ATOM 511 NH1 ARG A 35 21.714 1.473 -17.596 1.00 0.00 N ATOM 512 NH2 ARG A 35 23.889 2.073 -18.014 1.00 0.00 N ATOM 0 H ARG A 35 19.740 -5.144 -17.530 1.00 0.00 H new ATOM 0 HA ARG A 35 21.494 -3.721 -15.717 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.428 -3.646 -18.310 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.010 -2.633 -18.128 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.351 -1.021 -16.777 1.00 0.00 H new ATOM 0 HG3 ARG A 35 22.768 -2.027 -17.001 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.429 -1.775 -19.518 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.185 -0.593 -19.165 1.00 0.00 H new ATOM 0 HE ARG A 35 24.058 -0.190 -19.031 1.00 0.00 H new ATOM 0 HH11 ARG A 35 20.959 0.790 -17.652 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.550 2.380 -17.159 1.00 0.00 H new ATOM 0 HH21 ARG A 35 24.810 1.852 -18.393 1.00 0.00 H new ATOM 0 HH22 ARG A 35 23.721 2.979 -17.576 1.00 0.00 H new ATOM 526 N LYS A 36 19.810 -2.615 -14.283 1.00 0.00 N ATOM 527 CA LYS A 36 18.890 -1.863 -13.439 1.00 0.00 C ATOM 528 C LYS A 36 18.737 -0.431 -13.941 1.00 0.00 C ATOM 529 O LYS A 36 19.527 0.447 -13.592 1.00 0.00 O ATOM 530 CB LYS A 36 19.384 -1.857 -11.990 1.00 0.00 C ATOM 531 CG LYS A 36 19.554 -3.245 -11.399 1.00 0.00 C ATOM 532 CD LYS A 36 19.200 -3.270 -9.922 1.00 0.00 C ATOM 533 CE LYS A 36 20.150 -4.160 -9.136 1.00 0.00 C ATOM 534 NZ LYS A 36 19.902 -4.079 -7.670 1.00 0.00 N ATOM 0 H LYS A 36 20.655 -2.932 -13.808 1.00 0.00 H new ATOM 0 HA LYS A 36 17.916 -2.350 -13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.338 -1.332 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.680 -1.294 -11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.921 -3.951 -11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.584 -3.574 -11.533 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.234 -2.257 -9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.178 -3.628 -9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.037 -5.192 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.179 -3.868 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.570 -4.700 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.034 -3.099 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.928 -4.382 -7.465 1.00 0.00 H new ATOM 782 N VAL A 51 13.097 -0.036 -13.240 1.00 0.00 N ATOM 783 CA VAL A 51 12.440 -0.649 -14.389 1.00 0.00 C ATOM 784 C VAL A 51 13.451 -1.345 -15.293 1.00 0.00 C ATOM 785 O VAL A 51 14.660 -1.160 -15.148 1.00 0.00 O ATOM 786 CB VAL A 51 11.663 0.394 -15.213 1.00 0.00 C ATOM 787 CG1 VAL A 51 10.636 1.105 -14.344 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.620 1.393 -15.846 1.00 0.00 C ATOM 0 HA VAL A 51 11.739 -1.387 -13.997 1.00 0.00 H new ATOM 0 HB VAL A 51 11.132 -0.123 -16.012 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.097 1.838 -14.944 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.932 0.376 -13.943 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.143 1.611 -13.522 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.054 2.123 -16.425 1.00 0.00 H new ATOM 0 HG22 VAL A 51 13.180 1.906 -15.064 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.312 0.867 -16.503 1.00 0.00 H new ATOM 798 N TYR A 52 12.949 -2.145 -16.227 1.00 0.00 N ATOM 799 CA TYR A 52 13.808 -2.870 -17.155 1.00 0.00 C ATOM 800 C TYR A 52 13.418 -2.579 -18.600 1.00 0.00 C ATOM 801 O TYR A 52 12.395 -1.945 -18.864 1.00 0.00 O ATOM 802 CB TYR A 52 13.728 -4.374 -16.887 1.00 0.00 C ATOM 803 CG TYR A 52 14.026 -4.750 -15.453 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.271 -4.496 -14.891 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.062 -5.360 -14.659 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.547 -4.838 -13.582 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.329 -5.705 -13.349 1.00 0.00 C ATOM 808 CZ TYR A 52 14.573 -5.442 -12.815 1.00 0.00 C ATOM 809 OH TYR A 52 14.844 -5.784 -11.509 1.00 0.00 O ATOM 0 H TYR A 52 11.951 -2.308 -16.361 1.00 0.00 H new ATOM 0 HA TYR A 52 14.833 -2.533 -17.000 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.731 -4.728 -17.147 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.430 -4.889 -17.542 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.036 -4.023 -15.488 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.087 -5.568 -15.074 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.520 -4.634 -13.161 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.568 -6.178 -12.746 1.00 0.00 H new ATOM 0 HH TYR A 52 14.052 -6.199 -11.108 1.00 0.00 H new ATOM 819 N LEU A 53 14.239 -3.047 -19.534 1.00 0.00 N ATOM 820 CA LEU A 53 13.981 -2.838 -20.954 1.00 0.00 C ATOM 821 C LEU A 53 13.343 -4.074 -21.579 1.00 0.00 C ATOM 822 O LEU A 53 13.801 -5.197 -21.366 1.00 0.00 O ATOM 823 CB LEU A 53 15.281 -2.497 -21.684 1.00 0.00 C ATOM 824 CG LEU A 53 15.275 -1.203 -22.499 1.00 0.00 C ATOM 825 CD1 LEU A 53 16.517 -0.379 -22.202 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.179 -1.511 -23.987 1.00 0.00 C ATOM 0 H LEU A 53 15.089 -3.574 -19.333 1.00 0.00 H new ATOM 0 HA LEU A 53 13.286 -2.004 -21.053 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.082 -2.435 -20.947 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.526 -3.322 -22.352 1.00 0.00 H new ATOM 0 HG LEU A 53 14.401 -0.619 -22.212 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.495 0.538 -22.791 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.542 -0.128 -21.142 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.406 -0.955 -22.460 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.176 -0.579 -24.552 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.034 -2.116 -24.289 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.258 -2.059 -24.186 1.00 0.00 H new ATOM 838 N ARG A 54 12.284 -3.860 -22.354 1.00 0.00 N ATOM 839 CA ARG A 54 11.584 -4.956 -23.011 1.00 0.00 C ATOM 840 C ARG A 54 12.538 -5.764 -23.886 1.00 0.00 C ATOM 841 O ARG A 54 12.433 -6.988 -23.970 1.00 0.00 O ATOM 842 CB ARG A 54 10.430 -4.418 -23.858 1.00 0.00 C ATOM 843 CG ARG A 54 9.606 -5.506 -24.528 1.00 0.00 C ATOM 844 CD ARG A 54 8.259 -4.977 -24.995 1.00 0.00 C ATOM 845 NE ARG A 54 8.263 -4.651 -26.418 1.00 0.00 N ATOM 846 CZ ARG A 54 8.213 -5.564 -27.382 1.00 0.00 C ATOM 847 NH1 ARG A 54 8.156 -6.853 -27.076 1.00 0.00 N ATOM 848 NH2 ARG A 54 8.220 -5.189 -28.654 1.00 0.00 N ATOM 0 H ARG A 54 11.893 -2.937 -22.542 1.00 0.00 H new ATOM 0 HA ARG A 54 11.183 -5.612 -22.238 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.777 -3.817 -23.226 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.831 -3.755 -24.624 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.155 -5.908 -25.379 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.453 -6.329 -23.830 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.488 -5.722 -24.796 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.000 -4.088 -24.420 1.00 0.00 H new ATOM 0 HE ARG A 54 8.307 -3.668 -26.687 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.150 -7.145 -26.099 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.118 -7.552 -27.818 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.264 -4.198 -28.893 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.182 -5.891 -29.393 1.00 0.00 H new ATOM 862 N SER A 55 13.466 -5.070 -24.536 1.00 0.00 N ATOM 863 CA SER A 55 14.436 -5.722 -25.409 1.00 0.00 C ATOM 864 C SER A 55 15.310 -6.693 -24.620 1.00 0.00 C ATOM 865 O SER A 55 15.569 -7.813 -25.063 1.00 0.00 O ATOM 866 CB SER A 55 15.313 -4.678 -26.102 1.00 0.00 C ATOM 867 OG SER A 55 14.530 -3.611 -26.611 1.00 0.00 O ATOM 0 H SER A 55 13.567 -4.057 -24.475 1.00 0.00 H new ATOM 0 HA SER A 55 13.887 -6.285 -26.164 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.048 -4.290 -25.397 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.868 -5.146 -26.915 1.00 0.00 H new ATOM 0 HG SER A 55 15.114 -2.956 -27.048 1.00 0.00 H new ATOM 873 N ASP A 56 15.761 -6.256 -23.450 1.00 0.00 N ATOM 874 CA ASP A 56 16.604 -7.086 -22.598 1.00 0.00 C ATOM 875 C ASP A 56 15.825 -8.282 -22.060 1.00 0.00 C ATOM 876 O ASP A 56 16.232 -9.431 -22.236 1.00 0.00 O ATOM 877 CB ASP A 56 17.161 -6.261 -21.436 1.00 0.00 C ATOM 878 CG ASP A 56 18.103 -5.169 -21.901 1.00 0.00 C ATOM 879 OD1 ASP A 56 17.654 -4.276 -22.651 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.290 -5.205 -21.514 1.00 0.00 O ATOM 0 H ASP A 56 15.557 -5.332 -23.070 1.00 0.00 H new ATOM 0 HA ASP A 56 17.433 -7.457 -23.201 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.335 -5.813 -20.883 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.687 -6.920 -20.745 1.00 0.00 H new ATOM 885 N VAL A 57 14.703 -8.005 -21.404 1.00 0.00 N ATOM 886 CA VAL A 57 13.866 -9.058 -20.841 1.00 0.00 C ATOM 887 C VAL A 57 13.449 -10.060 -21.912 1.00 0.00 C ATOM 888 O VAL A 57 13.212 -11.232 -21.620 1.00 0.00 O ATOM 889 CB VAL A 57 12.603 -8.477 -20.178 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.753 -9.589 -19.582 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.981 -7.456 -19.116 1.00 0.00 C ATOM 0 H VAL A 57 14.352 -7.060 -21.249 1.00 0.00 H new ATOM 0 HA VAL A 57 14.463 -9.567 -20.084 1.00 0.00 H new ATOM 0 HB VAL A 57 12.013 -7.971 -20.942 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.865 -9.159 -19.118 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.453 -10.279 -20.370 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.331 -10.126 -18.830 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.077 -7.056 -18.658 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.593 -7.935 -18.352 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.545 -6.644 -19.576 1.00 0.00 H new ATOM 901 N GLU A 58 13.363 -9.591 -23.153 1.00 0.00 N ATOM 902 CA GLU A 58 12.974 -10.447 -24.267 1.00 0.00 C ATOM 903 C GLU A 58 13.958 -11.602 -24.434 1.00 0.00 C ATOM 904 O GLU A 58 13.577 -12.701 -24.836 1.00 0.00 O ATOM 905 CB GLU A 58 12.900 -9.635 -25.562 1.00 0.00 C ATOM 906 CG GLU A 58 12.456 -10.447 -26.766 1.00 0.00 C ATOM 907 CD GLU A 58 11.739 -9.607 -27.805 1.00 0.00 C ATOM 908 OE1 GLU A 58 10.904 -8.765 -27.414 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.015 -9.791 -29.009 1.00 0.00 O ATOM 0 H GLU A 58 13.557 -8.624 -23.412 1.00 0.00 H new ATOM 0 HA GLU A 58 11.989 -10.859 -24.048 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.209 -8.804 -25.420 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.880 -9.204 -25.767 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.326 -10.918 -27.223 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.797 -11.249 -26.435 1.00 0.00 H new ATOM 916 N ALA A 59 15.224 -11.343 -24.124 1.00 0.00 N ATOM 917 CA ALA A 59 16.261 -12.361 -24.238 1.00 0.00 C ATOM 918 C ALA A 59 16.377 -13.173 -22.953 1.00 0.00 C ATOM 919 O ALA A 59 16.736 -14.351 -22.981 1.00 0.00 O ATOM 920 CB ALA A 59 17.597 -11.716 -24.580 1.00 0.00 C ATOM 0 H ALA A 59 15.556 -10.437 -23.792 1.00 0.00 H new ATOM 0 HA ALA A 59 15.981 -13.042 -25.042 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.363 -12.487 -24.662 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.513 -11.186 -25.529 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.873 -11.013 -23.794 1.00 0.00 H new ATOM 926 N LYS A 60 16.072 -12.537 -21.827 1.00 0.00 N ATOM 927 CA LYS A 60 16.142 -13.200 -20.530 1.00 0.00 C ATOM 928 C LYS A 60 15.280 -14.459 -20.516 1.00 0.00 C ATOM 929 O LYS A 60 15.549 -15.399 -19.769 1.00 0.00 O ATOM 930 CB LYS A 60 15.689 -12.247 -19.422 1.00 0.00 C ATOM 931 CG LYS A 60 15.701 -12.873 -18.038 1.00 0.00 C ATOM 932 CD LYS A 60 17.094 -13.341 -17.650 1.00 0.00 C ATOM 933 CE LYS A 60 18.056 -12.171 -17.513 1.00 0.00 C ATOM 934 NZ LYS A 60 19.071 -12.157 -18.604 1.00 0.00 N ATOM 0 H LYS A 60 15.774 -11.562 -21.786 1.00 0.00 H new ATOM 0 HA LYS A 60 17.178 -13.488 -20.352 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.337 -11.371 -19.421 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.681 -11.898 -19.645 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.343 -12.148 -17.307 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.012 -13.718 -18.014 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.046 -13.887 -16.708 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.469 -14.035 -18.402 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.495 -11.236 -17.526 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.560 -12.226 -16.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.787 -11.430 -18.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.530 -13.088 -18.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.605 -11.943 -19.509 1.00 0.00 H new ATOM 948 N SER A 61 14.243 -14.470 -21.348 1.00 0.00 N ATOM 949 CA SER A 61 13.340 -15.612 -21.429 1.00 0.00 C ATOM 950 C SER A 61 13.920 -16.700 -22.328 1.00 0.00 C ATOM 951 O SER A 61 13.609 -17.882 -22.173 1.00 0.00 O ATOM 952 CB SER A 61 11.974 -15.173 -21.958 1.00 0.00 C ATOM 953 OG SER A 61 11.804 -15.553 -23.312 1.00 0.00 O ATOM 0 H SER A 61 14.008 -13.701 -21.975 1.00 0.00 H new ATOM 0 HA SER A 61 13.219 -16.020 -20.425 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.186 -15.618 -21.351 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.876 -14.091 -21.866 1.00 0.00 H new ATOM 0 HG SER A 61 10.922 -15.262 -23.625 1.00 0.00 H new ATOM 959 N LEU A 62 14.765 -16.293 -23.269 1.00 0.00 N ATOM 960 CA LEU A 62 15.390 -17.232 -24.194 1.00 0.00 C ATOM 961 C LEU A 62 16.637 -17.856 -23.577 1.00 0.00 C ATOM 962 O LEU A 62 16.960 -19.013 -23.844 1.00 0.00 O ATOM 963 CB LEU A 62 15.753 -16.525 -25.502 1.00 0.00 C ATOM 964 CG LEU A 62 14.689 -15.589 -26.076 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.127 -15.049 -27.429 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.353 -16.308 -26.194 1.00 0.00 C ATOM 0 H LEU A 62 15.033 -15.319 -23.411 1.00 0.00 H new ATOM 0 HA LEU A 62 14.675 -18.027 -24.404 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.665 -15.950 -25.340 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.983 -17.284 -26.250 1.00 0.00 H new ATOM 0 HG LEU A 62 14.567 -14.748 -25.394 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.357 -14.385 -27.822 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.060 -14.497 -27.316 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.278 -15.878 -28.120 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.608 -15.626 -26.604 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.460 -17.169 -26.854 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.033 -16.645 -25.208 1.00 0.00 H new ATOM 978 N GLU A 63 17.333 -17.082 -22.750 1.00 0.00 N ATOM 979 CA GLU A 63 18.544 -17.561 -22.094 1.00 0.00 C ATOM 980 C GLU A 63 18.205 -18.541 -20.975 1.00 0.00 C ATOM 981 O GLU A 63 19.019 -19.389 -20.610 1.00 0.00 O ATOM 982 CB GLU A 63 19.345 -16.384 -21.532 1.00 0.00 C ATOM 983 CG GLU A 63 18.734 -15.773 -20.283 1.00 0.00 C ATOM 984 CD GLU A 63 19.448 -16.200 -19.015 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.373 -17.396 -18.664 1.00 0.00 O ATOM 986 OE2 GLU A 63 20.083 -15.336 -18.374 1.00 0.00 O ATOM 0 H GLU A 63 17.079 -16.122 -22.519 1.00 0.00 H new ATOM 0 HA GLU A 63 19.149 -18.081 -22.837 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.357 -16.720 -21.304 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.430 -15.614 -22.299 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.763 -14.686 -20.363 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.684 -16.060 -20.219 1.00 0.00 H new ATOM 993 N VAL A 64 16.998 -18.417 -20.433 1.00 0.00 N ATOM 994 CA VAL A 64 16.550 -19.291 -19.355 1.00 0.00 C ATOM 995 C VAL A 64 15.823 -20.513 -19.905 1.00 0.00 C ATOM 996 O VAL A 64 16.355 -21.623 -19.891 1.00 0.00 O ATOM 997 CB VAL A 64 15.617 -18.548 -18.381 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.118 -19.491 -17.296 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.330 -17.350 -17.771 1.00 0.00 C ATOM 0 H VAL A 64 16.312 -17.720 -20.723 1.00 0.00 H new ATOM 0 HA VAL A 64 17.442 -19.613 -18.817 1.00 0.00 H new ATOM 0 HB VAL A 64 14.754 -18.184 -18.938 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.460 -18.949 -16.617 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.569 -20.314 -17.753 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.967 -19.887 -16.739 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.656 -16.836 -17.085 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.212 -17.689 -17.227 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.633 -16.665 -18.563 1.00 0.00 H new ATOM 1009 N TRP A 65 14.605 -20.301 -20.390 1.00 0.00 N ATOM 1010 CA TRP A 65 13.804 -21.386 -20.946 1.00 0.00 C ATOM 1011 C TRP A 65 14.509 -22.030 -22.134 1.00 0.00 C ATOM 1012 O TRP A 65 14.374 -23.229 -22.374 1.00 0.00 O ATOM 1013 CB TRP A 65 12.430 -20.867 -21.373 1.00 0.00 C ATOM 1014 CG TRP A 65 11.460 -20.749 -20.236 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.175 -19.625 -19.514 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.649 -21.795 -19.691 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.236 -19.910 -18.553 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.896 -21.234 -18.641 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.483 -23.150 -19.988 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.994 -21.982 -17.889 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.588 -23.892 -19.241 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.852 -23.307 -18.202 1.00 0.00 C ATOM 0 H TRP A 65 14.150 -19.388 -20.410 1.00 0.00 H new ATOM 0 HA TRP A 65 13.674 -22.142 -20.171 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.548 -19.891 -21.843 1.00 0.00 H new ATOM 0 HB3 TRP A 65 12.015 -21.536 -22.127 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.622 -18.655 -19.675 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.854 -19.243 -17.882 1.00 0.00 H new ATOM 0 HE3 TRP A 65 11.045 -23.610 -20.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.427 -21.533 -17.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.454 -24.941 -19.462 1.00 0.00 H new ATOM 0 HH2 TRP A 65 8.159 -23.913 -17.637 1.00 0.00 H new ATOM 1033 N GLY A 66 15.264 -21.225 -22.877 1.00 0.00 N ATOM 1034 CA GLY A 66 15.979 -21.735 -24.032 1.00 0.00 C ATOM 1035 C GLY A 66 15.438 -21.187 -25.337 1.00 0.00 C ATOM 1036 O GLY A 66 16.179 -21.035 -26.309 1.00 0.00 O ATOM 0 H GLY A 66 15.393 -20.229 -22.699 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.035 -21.479 -23.944 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.915 -22.823 -24.044 1.00 0.00 H new ATOM 1040 N SER A 67 14.143 -20.890 -25.362 1.00 0.00 N ATOM 1041 CA SER A 67 13.502 -20.362 -26.560 1.00 0.00 C ATOM 1042 C SER A 67 12.182 -19.679 -26.214 1.00 0.00 C ATOM 1043 O SER A 67 11.594 -19.908 -25.156 1.00 0.00 O ATOM 1044 CB SER A 67 13.259 -21.483 -27.571 1.00 0.00 C ATOM 1045 OG SER A 67 13.836 -22.701 -27.131 1.00 0.00 O ATOM 0 H SER A 67 13.517 -21.006 -24.565 1.00 0.00 H new ATOM 0 HA SER A 67 14.169 -19.622 -27.002 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.188 -21.617 -27.719 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.682 -21.204 -28.536 1.00 0.00 H new ATOM 0 HG SER A 67 13.665 -23.402 -27.794 1.00 0.00 H new ATOM 1051 N PRO A 68 11.704 -18.820 -27.126 1.00 0.00 N ATOM 1052 CA PRO A 68 10.448 -18.086 -26.941 1.00 0.00 C ATOM 1053 C PRO A 68 9.228 -18.998 -27.016 1.00 0.00 C ATOM 1054 O PRO A 68 8.159 -18.660 -26.510 1.00 0.00 O ATOM 1055 CB PRO A 68 10.445 -17.091 -28.104 1.00 0.00 C ATOM 1056 CG PRO A 68 11.296 -17.726 -29.149 1.00 0.00 C ATOM 1057 CD PRO A 68 12.352 -18.499 -28.409 1.00 0.00 C ATOM 0 HA PRO A 68 10.391 -17.615 -25.960 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.434 -16.914 -28.471 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.847 -16.125 -27.799 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.705 -18.384 -29.787 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.745 -16.973 -29.797 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.643 -19.400 -28.949 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.256 -17.908 -28.266 1.00 0.00 H new ATOM 1065 N GLU A 69 9.396 -20.153 -27.651 1.00 0.00 N ATOM 1066 CA GLU A 69 8.307 -21.113 -27.792 1.00 0.00 C ATOM 1067 C GLU A 69 7.942 -21.723 -26.442 1.00 0.00 C ATOM 1068 O GLU A 69 6.765 -21.867 -26.112 1.00 0.00 O ATOM 1069 CB GLU A 69 8.695 -22.218 -28.776 1.00 0.00 C ATOM 1070 CG GLU A 69 8.621 -21.791 -30.232 1.00 0.00 C ATOM 1071 CD GLU A 69 7.386 -22.322 -30.934 1.00 0.00 C ATOM 1072 OE1 GLU A 69 6.267 -21.924 -30.550 1.00 0.00 O ATOM 1073 OE2 GLU A 69 7.540 -23.138 -31.867 1.00 0.00 O ATOM 0 H GLU A 69 10.275 -20.447 -28.076 1.00 0.00 H new ATOM 0 HA GLU A 69 7.437 -20.582 -28.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.709 -22.550 -28.555 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.039 -23.075 -28.624 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.626 -20.702 -30.288 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.511 -22.142 -30.755 1.00 0.00 H new ATOM 1080 N ALA A 70 8.960 -22.081 -25.666 1.00 0.00 N ATOM 1081 CA ALA A 70 8.748 -22.675 -24.352 1.00 0.00 C ATOM 1082 C ALA A 70 7.802 -21.823 -23.511 1.00 0.00 C ATOM 1083 O ALA A 70 6.854 -22.335 -22.914 1.00 0.00 O ATOM 1084 CB ALA A 70 10.077 -22.857 -23.634 1.00 0.00 C ATOM 0 H ALA A 70 9.940 -21.970 -25.925 1.00 0.00 H new ATOM 0 HA ALA A 70 8.287 -23.653 -24.492 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.903 -23.302 -22.654 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.721 -23.512 -24.221 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.560 -21.888 -23.512 1.00 0.00 H new ATOM 1090 N LEU A 71 8.066 -20.522 -23.468 1.00 0.00 N ATOM 1091 CA LEU A 71 7.239 -19.599 -22.699 1.00 0.00 C ATOM 1092 C LEU A 71 5.866 -19.434 -23.342 1.00 0.00 C ATOM 1093 O LEU A 71 4.844 -19.436 -22.655 1.00 0.00 O ATOM 1094 CB LEU A 71 7.929 -18.238 -22.587 1.00 0.00 C ATOM 1095 CG LEU A 71 7.103 -17.117 -21.953 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.906 -17.374 -20.467 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.772 -15.769 -22.179 1.00 0.00 C ATOM 0 H LEU A 71 8.846 -20.082 -23.957 1.00 0.00 H new ATOM 0 HA LEU A 71 7.105 -20.015 -21.701 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.842 -18.363 -22.005 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.228 -17.921 -23.586 1.00 0.00 H new ATOM 0 HG LEU A 71 6.123 -17.099 -22.430 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.316 -16.566 -20.033 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.383 -18.320 -20.328 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.877 -17.420 -19.974 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.171 -14.983 -21.721 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.765 -15.775 -21.729 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.860 -15.582 -23.249 1.00 0.00 H new ATOM 1109 N ALA A 72 5.849 -19.294 -24.663 1.00 0.00 N ATOM 1110 CA ALA A 72 4.601 -19.133 -25.399 1.00 0.00 C ATOM 1111 C ALA A 72 3.608 -20.234 -25.043 1.00 0.00 C ATOM 1112 O ALA A 72 2.398 -20.010 -25.027 1.00 0.00 O ATOM 1113 CB ALA A 72 4.869 -19.124 -26.896 1.00 0.00 C ATOM 0 H ALA A 72 6.686 -19.289 -25.246 1.00 0.00 H new ATOM 0 HA ALA A 72 4.160 -18.177 -25.115 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.928 -19.003 -27.433 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.536 -18.297 -27.141 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.335 -20.065 -27.188 1.00 0.00 H new ATOM 1119 N ARG A 73 4.128 -21.424 -24.759 1.00 0.00 N ATOM 1120 CA ARG A 73 3.286 -22.561 -24.406 1.00 0.00 C ATOM 1121 C ARG A 73 2.415 -22.237 -23.196 1.00 0.00 C ATOM 1122 O ARG A 73 1.239 -22.597 -23.152 1.00 0.00 O ATOM 1123 CB ARG A 73 4.149 -23.790 -24.113 1.00 0.00 C ATOM 1124 CG ARG A 73 5.096 -24.152 -25.245 1.00 0.00 C ATOM 1125 CD ARG A 73 4.787 -25.529 -25.811 1.00 0.00 C ATOM 1126 NE ARG A 73 5.368 -26.597 -25.001 1.00 0.00 N ATOM 1127 CZ ARG A 73 5.426 -27.866 -25.391 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.942 -28.223 -26.572 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.970 -28.780 -24.598 1.00 0.00 N ATOM 0 H ARG A 73 5.128 -21.626 -24.766 1.00 0.00 H new ATOM 0 HA ARG A 73 2.635 -22.776 -25.253 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.730 -23.609 -23.209 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.498 -24.640 -23.909 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.020 -23.407 -26.037 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.124 -24.129 -24.883 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.707 -25.664 -25.867 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.170 -25.597 -26.829 1.00 0.00 H new ATOM 0 HE ARG A 73 5.750 -26.356 -24.087 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.524 -27.523 -27.184 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.988 -29.198 -26.868 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.344 -28.509 -23.689 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.014 -29.754 -24.898 1.00 0.00 H new ATOM 1143 N GLU A 74 3.002 -21.556 -22.216 1.00 0.00 N ATOM 1144 CA GLU A 74 2.279 -21.186 -21.005 1.00 0.00 C ATOM 1145 C GLU A 74 1.439 -19.933 -21.234 1.00 0.00 C ATOM 1146 O GLU A 74 0.343 -19.798 -20.691 1.00 0.00 O ATOM 1147 CB GLU A 74 3.258 -20.953 -19.851 1.00 0.00 C ATOM 1148 CG GLU A 74 3.827 -22.236 -19.269 1.00 0.00 C ATOM 1149 CD GLU A 74 2.799 -23.027 -18.483 1.00 0.00 C ATOM 1150 OE1 GLU A 74 2.227 -22.469 -17.524 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.567 -24.204 -18.829 1.00 0.00 O ATOM 0 H GLU A 74 3.975 -21.250 -22.237 1.00 0.00 H new ATOM 0 HA GLU A 74 1.611 -22.008 -20.746 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.079 -20.328 -20.202 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.751 -20.399 -19.061 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.216 -22.856 -20.077 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.668 -21.994 -18.619 1.00 0.00 H new ATOM 1158 N LYS A 75 1.963 -19.017 -22.042 1.00 0.00 N ATOM 1159 CA LYS A 75 1.263 -17.774 -22.345 1.00 0.00 C ATOM 1160 C LYS A 75 -0.093 -18.055 -22.985 1.00 0.00 C ATOM 1161 O LYS A 75 -1.084 -17.392 -22.680 1.00 0.00 O ATOM 1162 CB LYS A 75 2.108 -16.903 -23.278 1.00 0.00 C ATOM 1163 CG LYS A 75 3.486 -16.580 -22.726 1.00 0.00 C ATOM 1164 CD LYS A 75 3.778 -15.090 -22.794 1.00 0.00 C ATOM 1165 CE LYS A 75 2.987 -14.318 -21.749 1.00 0.00 C ATOM 1166 NZ LYS A 75 1.975 -13.420 -22.370 1.00 0.00 N ATOM 0 H LYS A 75 2.870 -19.112 -22.499 1.00 0.00 H new ATOM 0 HA LYS A 75 1.100 -17.241 -21.408 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.219 -17.412 -24.235 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.576 -15.972 -23.473 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.553 -16.918 -21.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.242 -17.126 -23.290 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.844 -14.920 -22.644 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.533 -14.715 -23.788 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.488 -15.019 -21.080 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.671 -13.727 -21.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.157 -13.327 -21.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.396 -12.483 -22.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.664 -13.822 -23.277 1.00 0.00 H new