USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=11 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 180:sc= 0.116 USER MOD Single : A 22 ASN : amide:sc= -0.105 K(o=-0.11,f=-2!) USER MOD Single : A 25 CYS SG : rot 23:sc= 1.06 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 86:sc= 0.128 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0.557 (180deg=0.519) 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+ 176:sc=-0.00465 (180deg=-0.0109) USER MOD Single : A 61 SER OG : rot -75:sc= 0.151 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 137:sc= -0.101 (180deg=-0.215) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 9.188 1.061 -21.876 1.00 0.00 N ATOM 169 CA PHE A 14 9.722 0.410 -20.685 1.00 0.00 C ATOM 170 C PHE A 14 8.689 -0.531 -20.071 1.00 0.00 C ATOM 171 O PHE A 14 7.484 -0.336 -20.231 1.00 0.00 O ATOM 172 CB PHE A 14 10.151 1.457 -19.655 1.00 0.00 C ATOM 173 CG PHE A 14 11.418 2.175 -20.022 1.00 0.00 C ATOM 174 CD1 PHE A 14 11.393 3.249 -20.897 1.00 0.00 C ATOM 175 CD2 PHE A 14 12.634 1.776 -19.491 1.00 0.00 C ATOM 176 CE1 PHE A 14 12.558 3.910 -21.237 1.00 0.00 C ATOM 177 CE2 PHE A 14 13.803 2.434 -19.827 1.00 0.00 C ATOM 178 CZ PHE A 14 13.764 3.503 -20.700 1.00 0.00 C ATOM 0 HA PHE A 14 10.592 -0.177 -20.980 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.351 2.187 -19.536 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.285 0.971 -18.689 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.453 3.573 -21.318 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.669 0.941 -18.807 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.526 4.744 -21.922 1.00 0.00 H new ATOM 0 HE2 PHE A 14 14.745 2.112 -19.407 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.675 4.020 -20.963 1.00 0.00 H new ATOM 188 N ILE A 15 9.171 -1.551 -19.369 1.00 0.00 N ATOM 189 CA ILE A 15 8.291 -2.522 -18.731 1.00 0.00 C ATOM 190 C ILE A 15 8.644 -2.700 -17.259 1.00 0.00 C ATOM 191 O ILE A 15 9.817 -2.813 -16.899 1.00 0.00 O ATOM 192 CB ILE A 15 8.359 -3.891 -19.433 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.313 -4.841 -18.848 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.754 -4.484 -19.302 1.00 0.00 C ATOM 195 CD1 ILE A 15 7.222 -6.163 -19.578 1.00 0.00 C ATOM 0 H ILE A 15 10.166 -1.726 -19.228 1.00 0.00 H new ATOM 0 HA ILE A 15 7.277 -2.131 -18.814 1.00 0.00 H new ATOM 0 HB ILE A 15 8.143 -3.751 -20.492 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.550 -5.029 -17.801 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.338 -4.354 -18.872 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.787 -5.451 -19.803 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.479 -3.813 -19.762 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.997 -4.613 -18.247 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.461 -6.786 -19.109 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.955 -5.986 -20.620 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.185 -6.671 -19.532 1.00 0.00 H new ATOM 207 N THR A 16 7.622 -2.726 -16.409 1.00 0.00 N ATOM 208 CA THR A 16 7.824 -2.891 -14.975 1.00 0.00 C ATOM 209 C THR A 16 8.465 -4.239 -14.662 1.00 0.00 C ATOM 210 O THR A 16 8.454 -5.149 -15.489 1.00 0.00 O ATOM 211 CB THR A 16 6.496 -2.776 -14.203 1.00 0.00 C ATOM 212 OG1 THR A 16 5.444 -2.388 -15.094 1.00 0.00 O ATOM 213 CG2 THR A 16 6.612 -1.762 -13.076 1.00 0.00 C ATOM 0 H THR A 16 6.646 -2.635 -16.689 1.00 0.00 H new ATOM 0 HA THR A 16 8.492 -2.091 -14.656 1.00 0.00 H new ATOM 0 HB THR A 16 6.266 -3.750 -13.772 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.603 -2.319 -14.596 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.662 -1.698 -12.545 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.394 -2.075 -12.384 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.863 -0.785 -13.490 1.00 0.00 H new ATOM 221 N GLY A 17 9.024 -4.358 -13.461 1.00 0.00 N ATOM 222 CA GLY A 17 9.661 -5.599 -13.060 1.00 0.00 C ATOM 223 C GLY A 17 8.661 -6.708 -12.800 1.00 0.00 C ATOM 224 O GLY A 17 8.655 -7.724 -13.495 1.00 0.00 O ATOM 0 H GLY A 17 9.047 -3.618 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.355 -5.915 -13.839 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.250 -5.427 -12.159 1.00 0.00 H new ATOM 228 N VAL A 18 7.812 -6.513 -11.795 1.00 0.00 N ATOM 229 CA VAL A 18 6.803 -7.505 -11.444 1.00 0.00 C ATOM 230 C VAL A 18 5.974 -7.900 -12.662 1.00 0.00 C ATOM 231 O VAL A 18 5.490 -9.028 -12.757 1.00 0.00 O ATOM 232 CB VAL A 18 5.862 -6.983 -10.343 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.049 -5.801 -10.851 1.00 0.00 C ATOM 234 CG2 VAL A 18 4.949 -8.096 -9.851 1.00 0.00 C ATOM 0 H VAL A 18 7.803 -5.677 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 18 7.335 -8.380 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 18 6.468 -6.643 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.390 -5.446 -10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.722 -4.998 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.452 -6.112 -11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.291 -7.709 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.350 -8.469 -10.682 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.552 -8.909 -9.445 1.00 0.00 H new ATOM 244 N ARG A 19 5.815 -6.963 -13.591 1.00 0.00 N ATOM 245 CA ARG A 19 5.043 -7.212 -14.803 1.00 0.00 C ATOM 246 C ARG A 19 5.734 -8.250 -15.683 1.00 0.00 C ATOM 247 O ARG A 19 5.078 -9.072 -16.322 1.00 0.00 O ATOM 248 CB ARG A 19 4.848 -5.912 -15.585 1.00 0.00 C ATOM 249 CG ARG A 19 3.482 -5.278 -15.381 1.00 0.00 C ATOM 250 CD ARG A 19 3.025 -4.528 -16.622 1.00 0.00 C ATOM 251 NE ARG A 19 2.698 -3.134 -16.330 1.00 0.00 N ATOM 252 CZ ARG A 19 1.591 -2.756 -15.701 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.709 -3.661 -15.300 1.00 0.00 N ATOM 254 NH2 ARG A 19 1.364 -1.469 -15.471 1.00 0.00 N ATOM 0 H ARG A 19 6.210 -6.025 -13.528 1.00 0.00 H new ATOM 0 HA ARG A 19 4.068 -7.601 -14.510 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.618 -5.200 -15.287 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.992 -6.112 -16.647 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.754 -6.051 -15.133 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.520 -4.593 -14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.810 -4.566 -17.378 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.151 -5.024 -17.044 1.00 0.00 H new ATOM 0 HE ARG A 19 3.355 -2.412 -16.625 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.879 -4.651 -15.474 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.140 -3.367 -14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.040 -0.769 -15.777 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.514 -1.180 -14.988 1.00 0.00 H new ATOM 268 N ALA A 20 7.062 -8.204 -15.712 1.00 0.00 N ATOM 269 CA ALA A 20 7.842 -9.140 -16.512 1.00 0.00 C ATOM 270 C ALA A 20 7.990 -10.480 -15.800 1.00 0.00 C ATOM 271 O ALA A 20 7.896 -11.538 -16.423 1.00 0.00 O ATOM 272 CB ALA A 20 9.210 -8.553 -16.827 1.00 0.00 C ATOM 0 H ALA A 20 7.620 -7.528 -15.190 1.00 0.00 H new ATOM 0 HA ALA A 20 7.309 -9.312 -17.447 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.782 -9.263 -17.425 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.088 -7.624 -17.385 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.742 -8.351 -15.897 1.00 0.00 H new ATOM 278 N ILE A 21 8.223 -10.428 -14.493 1.00 0.00 N ATOM 279 CA ILE A 21 8.384 -11.638 -13.698 1.00 0.00 C ATOM 280 C ILE A 21 7.135 -12.510 -13.764 1.00 0.00 C ATOM 281 O ILE A 21 7.203 -13.725 -13.581 1.00 0.00 O ATOM 282 CB ILE A 21 8.688 -11.307 -12.224 1.00 0.00 C ATOM 283 CG1 ILE A 21 9.938 -10.432 -12.123 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.863 -12.586 -11.419 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.162 -9.855 -10.742 1.00 0.00 C ATOM 0 H ILE A 21 8.304 -9.561 -13.963 1.00 0.00 H new ATOM 0 HA ILE A 21 9.228 -12.183 -14.121 1.00 0.00 H new ATOM 0 HB ILE A 21 7.845 -10.753 -11.810 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.809 -11.023 -12.407 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.859 -9.615 -12.841 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.077 -12.336 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.947 -13.175 -11.469 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.690 -13.165 -11.831 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.066 -9.246 -10.744 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.309 -9.237 -10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.273 -10.666 -10.022 1.00 0.00 H new ATOM 297 N ASN A 22 5.995 -11.881 -14.029 1.00 0.00 N ATOM 298 CA ASN A 22 4.729 -12.600 -14.122 1.00 0.00 C ATOM 299 C ASN A 22 4.445 -13.018 -15.561 1.00 0.00 C ATOM 300 O ASN A 22 4.128 -14.176 -15.830 1.00 0.00 O ATOM 301 CB ASN A 22 3.585 -11.730 -13.596 1.00 0.00 C ATOM 302 CG ASN A 22 3.407 -11.854 -12.095 1.00 0.00 C ATOM 303 OD1 ASN A 22 4.143 -12.583 -11.430 1.00 0.00 O ATOM 304 ND2 ASN A 22 2.426 -11.141 -11.554 1.00 0.00 N ATOM 0 H ASN A 22 5.921 -10.875 -14.183 1.00 0.00 H new ATOM 0 HA ASN A 22 4.804 -13.499 -13.510 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.778 -10.688 -13.851 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.658 -12.014 -14.094 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.258 -11.185 -10.549 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.840 -10.550 -12.144 1.00 0.00 H new ATOM 311 N GLU A 23 4.561 -12.066 -16.482 1.00 0.00 N ATOM 312 CA GLU A 23 4.316 -12.336 -17.894 1.00 0.00 C ATOM 313 C GLU A 23 5.313 -13.357 -18.433 1.00 0.00 C ATOM 314 O GLU A 23 4.929 -14.429 -18.902 1.00 0.00 O ATOM 315 CB GLU A 23 4.404 -11.042 -18.706 1.00 0.00 C ATOM 316 CG GLU A 23 3.245 -10.090 -18.461 1.00 0.00 C ATOM 317 CD GLU A 23 1.945 -10.585 -19.064 1.00 0.00 C ATOM 318 OE1 GLU A 23 1.936 -10.912 -20.269 1.00 0.00 O ATOM 319 OE2 GLU A 23 0.936 -10.645 -18.331 1.00 0.00 O ATOM 0 H GLU A 23 4.823 -11.102 -16.276 1.00 0.00 H new ATOM 0 HA GLU A 23 3.312 -12.749 -17.990 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.338 -10.534 -18.464 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.441 -11.290 -19.767 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.114 -9.952 -17.388 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.487 -9.114 -18.881 1.00 0.00 H new ATOM 326 N PHE A 24 6.596 -13.015 -18.365 1.00 0.00 N ATOM 327 CA PHE A 24 7.649 -13.901 -18.848 1.00 0.00 C ATOM 328 C PHE A 24 7.836 -15.088 -17.907 1.00 0.00 C ATOM 329 O PHE A 24 8.451 -16.091 -18.271 1.00 0.00 O ATOM 330 CB PHE A 24 8.966 -13.133 -18.986 1.00 0.00 C ATOM 331 CG PHE A 24 8.954 -12.116 -20.091 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.251 -10.930 -19.951 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.644 -12.346 -21.270 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.238 -9.991 -20.966 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.635 -11.411 -22.288 1.00 0.00 C ATOM 336 CZ PHE A 24 8.930 -10.233 -22.136 1.00 0.00 C ATOM 0 H PHE A 24 6.931 -12.132 -17.981 1.00 0.00 H new ATOM 0 HA PHE A 24 7.351 -14.279 -19.826 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.185 -12.631 -18.044 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.774 -13.842 -19.165 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.707 -10.737 -19.038 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.195 -13.266 -21.395 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.688 -9.070 -20.844 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.179 -11.601 -23.201 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.920 -9.502 -22.931 1.00 0.00 H new ATOM 346 N CYS A 25 7.301 -14.966 -16.698 1.00 0.00 N ATOM 347 CA CYS A 25 7.409 -16.027 -15.703 1.00 0.00 C ATOM 348 C CYS A 25 8.871 -16.358 -15.417 1.00 0.00 C ATOM 349 O CYS A 25 9.312 -17.491 -15.614 1.00 0.00 O ATOM 350 CB CYS A 25 6.675 -17.280 -16.183 1.00 0.00 C ATOM 351 SG CYS A 25 4.881 -17.211 -15.970 1.00 0.00 S ATOM 0 H CYS A 25 6.788 -14.143 -16.383 1.00 0.00 H new ATOM 0 HA CYS A 25 6.948 -15.675 -14.780 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.899 -17.438 -17.238 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.061 -18.144 -15.642 1.00 0.00 H new ATOM 0 HG CYS A 25 4.500 -15.970 -15.902 1.00 0.00 H new ATOM 357 N LEU A 26 9.617 -15.361 -14.954 1.00 0.00 N ATOM 358 CA LEU A 26 11.030 -15.545 -14.642 1.00 0.00 C ATOM 359 C LEU A 26 11.269 -15.482 -13.137 1.00 0.00 C ATOM 360 O LEU A 26 10.324 -15.427 -12.350 1.00 0.00 O ATOM 361 CB LEU A 26 11.871 -14.480 -15.348 1.00 0.00 C ATOM 362 CG LEU A 26 11.591 -14.283 -16.839 1.00 0.00 C ATOM 363 CD1 LEU A 26 11.985 -12.880 -17.274 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.330 -15.327 -17.663 1.00 0.00 C ATOM 0 H LEU A 26 9.267 -14.418 -14.786 1.00 0.00 H new ATOM 0 HA LEU A 26 11.329 -16.531 -14.997 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.716 -13.528 -14.841 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.923 -14.738 -15.227 1.00 0.00 H new ATOM 0 HG LEU A 26 10.521 -14.407 -17.009 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.779 -12.757 -18.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.410 -12.148 -16.706 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.049 -12.727 -17.091 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.119 -15.171 -18.721 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.402 -15.235 -17.489 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.999 -16.323 -17.370 1.00 0.00 H new ATOM 376 N LYS A 27 12.538 -15.489 -12.743 1.00 0.00 N ATOM 377 CA LYS A 27 12.902 -15.429 -11.333 1.00 0.00 C ATOM 378 C LYS A 27 13.386 -14.033 -10.955 1.00 0.00 C ATOM 379 O LYS A 27 14.035 -13.354 -11.751 1.00 0.00 O ATOM 380 CB LYS A 27 13.990 -16.459 -11.022 1.00 0.00 C ATOM 381 CG LYS A 27 13.530 -17.898 -11.182 1.00 0.00 C ATOM 382 CD LYS A 27 14.550 -18.729 -11.941 1.00 0.00 C ATOM 383 CE LYS A 27 14.141 -20.192 -12.004 1.00 0.00 C ATOM 384 NZ LYS A 27 14.860 -21.013 -10.991 1.00 0.00 N ATOM 0 H LYS A 27 13.332 -15.536 -13.381 1.00 0.00 H new ATOM 0 HA LYS A 27 12.014 -15.658 -10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.842 -16.284 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.339 -16.309 -10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.360 -18.338 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.577 -17.919 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.660 -18.337 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.523 -18.643 -11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.066 -20.276 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.346 -20.584 -13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.553 -22.004 -11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.884 -20.954 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.645 -20.656 -10.038 1.00 0.00 H new ATOM 398 N SER A 28 13.068 -13.611 -9.735 1.00 0.00 N ATOM 399 CA SER A 28 13.468 -12.295 -9.253 1.00 0.00 C ATOM 400 C SER A 28 14.986 -12.143 -9.284 1.00 0.00 C ATOM 401 O SER A 28 15.508 -11.037 -9.424 1.00 0.00 O ATOM 402 CB SER A 28 12.951 -12.070 -7.830 1.00 0.00 C ATOM 403 OG SER A 28 11.932 -12.999 -7.506 1.00 0.00 O ATOM 0 H SER A 28 12.534 -14.162 -9.063 1.00 0.00 H new ATOM 0 HA SER A 28 13.031 -11.546 -9.913 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.774 -12.166 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.566 -11.055 -7.736 1.00 0.00 H new ATOM 0 HG SER A 28 12.337 -13.825 -7.168 1.00 0.00 H new ATOM 409 N SER A 29 15.689 -13.264 -9.153 1.00 0.00 N ATOM 410 CA SER A 29 17.147 -13.257 -9.162 1.00 0.00 C ATOM 411 C SER A 29 17.680 -12.966 -10.561 1.00 0.00 C ATOM 412 O SER A 29 18.781 -12.438 -10.721 1.00 0.00 O ATOM 413 CB SER A 29 17.688 -14.600 -8.667 1.00 0.00 C ATOM 414 OG SER A 29 17.244 -14.873 -7.349 1.00 0.00 O ATOM 0 H SER A 29 15.272 -14.188 -9.039 1.00 0.00 H new ATOM 0 HA SER A 29 17.486 -12.467 -8.491 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.362 -15.396 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.778 -14.589 -8.692 1.00 0.00 H new ATOM 0 HG SER A 29 17.601 -15.737 -7.056 1.00 0.00 H new ATOM 420 N ASP A 30 16.892 -13.315 -11.572 1.00 0.00 N ATOM 421 CA ASP A 30 17.282 -13.091 -12.959 1.00 0.00 C ATOM 422 C ASP A 30 17.095 -11.627 -13.347 1.00 0.00 C ATOM 423 O ASP A 30 17.995 -11.003 -13.910 1.00 0.00 O ATOM 424 CB ASP A 30 16.466 -13.987 -13.892 1.00 0.00 C ATOM 425 CG ASP A 30 17.195 -15.269 -14.247 1.00 0.00 C ATOM 426 OD1 ASP A 30 18.428 -15.218 -14.436 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.531 -16.323 -14.334 1.00 0.00 O ATOM 0 H ASP A 30 15.979 -13.754 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 30 18.338 -13.342 -13.058 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.516 -14.232 -13.417 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.234 -13.440 -14.805 1.00 0.00 H new ATOM 432 N LEU A 31 15.920 -11.086 -13.043 1.00 0.00 N ATOM 433 CA LEU A 31 15.614 -9.696 -13.361 1.00 0.00 C ATOM 434 C LEU A 31 16.661 -8.758 -12.769 1.00 0.00 C ATOM 435 O LEU A 31 17.205 -7.902 -13.465 1.00 0.00 O ATOM 436 CB LEU A 31 14.226 -9.326 -12.835 1.00 0.00 C ATOM 437 CG LEU A 31 13.051 -9.644 -13.760 1.00 0.00 C ATOM 438 CD1 LEU A 31 13.060 -8.725 -14.971 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.094 -11.102 -14.194 1.00 0.00 C ATOM 0 H LEU A 31 15.164 -11.589 -12.577 1.00 0.00 H new ATOM 0 HA LEU A 31 15.627 -9.586 -14.445 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.068 -9.844 -11.889 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.214 -8.258 -12.620 1.00 0.00 H new ATOM 0 HG LEU A 31 12.125 -9.476 -13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.216 -8.967 -15.617 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.980 -7.689 -14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.990 -8.860 -15.523 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.250 -11.311 -14.852 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.026 -11.296 -14.726 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.037 -11.745 -13.316 1.00 0.00 H new ATOM 451 N GLU A 32 16.940 -8.928 -11.480 1.00 0.00 N ATOM 452 CA GLU A 32 17.923 -8.098 -10.796 1.00 0.00 C ATOM 453 C GLU A 32 19.275 -8.161 -11.501 1.00 0.00 C ATOM 454 O GLU A 32 20.067 -7.223 -11.431 1.00 0.00 O ATOM 455 CB GLU A 32 18.074 -8.542 -9.339 1.00 0.00 C ATOM 456 CG GLU A 32 18.672 -9.931 -9.186 1.00 0.00 C ATOM 457 CD GLU A 32 19.067 -10.241 -7.755 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.207 -10.104 -6.860 1.00 0.00 O ATOM 459 OE2 GLU A 32 20.236 -10.620 -7.530 1.00 0.00 O ATOM 0 H GLU A 32 16.499 -9.633 -10.889 1.00 0.00 H new ATOM 0 HA GLU A 32 17.569 -7.068 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.703 -7.824 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.096 -8.521 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.951 -10.673 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.549 -10.018 -9.828 1.00 0.00 H new ATOM 466 N GLN A 33 19.529 -9.276 -12.180 1.00 0.00 N ATOM 467 CA GLN A 33 20.785 -9.463 -12.897 1.00 0.00 C ATOM 468 C GLN A 33 20.916 -8.458 -14.037 1.00 0.00 C ATOM 469 O GLN A 33 22.021 -8.045 -14.391 1.00 0.00 O ATOM 470 CB GLN A 33 20.877 -10.888 -13.444 1.00 0.00 C ATOM 471 CG GLN A 33 22.300 -11.341 -13.726 1.00 0.00 C ATOM 472 CD GLN A 33 22.538 -12.789 -13.343 1.00 0.00 C ATOM 473 OE1 GLN A 33 21.968 -13.702 -13.939 1.00 0.00 O ATOM 474 NE2 GLN A 33 23.385 -13.005 -12.343 1.00 0.00 N ATOM 0 H GLN A 33 18.883 -10.062 -12.248 1.00 0.00 H new ATOM 0 HA GLN A 33 21.603 -9.297 -12.196 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.422 -11.573 -12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.295 -10.954 -14.363 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.516 -11.209 -14.786 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.995 -10.705 -13.178 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.835 -12.217 -11.877 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.585 -13.959 -12.041 1.00 0.00 H new ATOM 483 N LEU A 34 19.782 -8.068 -14.608 1.00 0.00 N ATOM 484 CA LEU A 34 19.769 -7.112 -15.709 1.00 0.00 C ATOM 485 C LEU A 34 20.165 -5.720 -15.226 1.00 0.00 C ATOM 486 O LEU A 34 20.434 -5.516 -14.042 1.00 0.00 O ATOM 487 CB LEU A 34 18.383 -7.065 -16.354 1.00 0.00 C ATOM 488 CG LEU A 34 17.877 -8.377 -16.955 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.357 -8.388 -17.010 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.464 -8.590 -18.342 1.00 0.00 C ATOM 0 H LEU A 34 18.859 -8.399 -14.327 1.00 0.00 H new ATOM 0 HA LEU A 34 20.497 -7.440 -16.451 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.666 -6.732 -15.603 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.395 -6.310 -17.140 1.00 0.00 H new ATOM 0 HG LEU A 34 18.203 -9.197 -16.315 1.00 0.00 H new ATOM 0 HD11 LEU A 34 16.015 -9.329 -17.441 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.956 -8.283 -16.002 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.009 -7.559 -17.627 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.093 -9.528 -18.754 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.169 -7.766 -18.992 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.551 -8.628 -18.275 1.00 0.00 H new ATOM 502 N ARG A 35 20.197 -4.765 -16.150 1.00 0.00 N ATOM 503 CA ARG A 35 20.559 -3.393 -15.819 1.00 0.00 C ATOM 504 C ARG A 35 19.414 -2.688 -15.096 1.00 0.00 C ATOM 505 O ARG A 35 18.276 -2.686 -15.567 1.00 0.00 O ATOM 506 CB ARG A 35 20.929 -2.620 -17.086 1.00 0.00 C ATOM 507 CG ARG A 35 21.638 -1.304 -16.811 1.00 0.00 C ATOM 508 CD ARG A 35 22.912 -1.176 -17.632 1.00 0.00 C ATOM 509 NE ARG A 35 23.726 -0.041 -17.205 1.00 0.00 N ATOM 510 CZ ARG A 35 24.962 0.182 -17.638 1.00 0.00 C ATOM 511 NH1 ARG A 35 25.523 -0.648 -18.507 1.00 0.00 N ATOM 512 NH2 ARG A 35 25.639 1.237 -17.204 1.00 0.00 N ATOM 0 H ARG A 35 19.976 -4.917 -17.134 1.00 0.00 H new ATOM 0 HA ARG A 35 21.423 -3.422 -15.155 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.569 -3.245 -17.709 1.00 0.00 H new ATOM 0 HB3 ARG A 35 20.023 -2.422 -17.658 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.970 -0.474 -17.042 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.879 -1.234 -15.750 1.00 0.00 H new ATOM 0 HD2 ARG A 35 23.494 -2.093 -17.544 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.655 -1.062 -18.685 1.00 0.00 H new ATOM 0 HE ARG A 35 23.323 0.617 -16.537 1.00 0.00 H new ATOM 0 HH11 ARG A 35 25.005 -1.460 -18.844 1.00 0.00 H new ATOM 0 HH12 ARG A 35 26.472 -0.475 -18.838 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.211 1.879 -16.537 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.588 1.407 -17.538 1.00 0.00 H new ATOM 526 N LYS A 36 19.723 -2.091 -13.950 1.00 0.00 N ATOM 527 CA LYS A 36 18.722 -1.382 -13.162 1.00 0.00 C ATOM 528 C LYS A 36 18.535 0.042 -13.675 1.00 0.00 C ATOM 529 O LYS A 36 19.356 0.921 -13.409 1.00 0.00 O ATOM 530 CB LYS A 36 19.130 -1.355 -11.687 1.00 0.00 C ATOM 531 CG LYS A 36 18.624 -2.548 -10.894 1.00 0.00 C ATOM 532 CD LYS A 36 19.368 -3.820 -11.265 1.00 0.00 C ATOM 533 CE LYS A 36 20.808 -3.786 -10.775 1.00 0.00 C ATOM 534 NZ LYS A 36 21.098 -4.899 -9.829 1.00 0.00 N ATOM 0 H LYS A 36 20.660 -2.084 -13.546 1.00 0.00 H new ATOM 0 HA LYS A 36 17.775 -1.912 -13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.217 -1.320 -11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.753 -0.440 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.742 -2.354 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.558 -2.682 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.856 -4.681 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.354 -3.949 -12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.484 -3.849 -11.628 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.002 -2.832 -10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 22.121 -4.945 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.597 -4.733 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.779 -5.798 -10.242 1.00 0.00 H new ATOM 782 N VAL A 51 12.987 -0.319 -13.458 1.00 0.00 N ATOM 783 CA VAL A 51 12.408 -0.841 -14.690 1.00 0.00 C ATOM 784 C VAL A 51 13.473 -1.492 -15.565 1.00 0.00 C ATOM 785 O VAL A 51 14.666 -1.234 -15.405 1.00 0.00 O ATOM 786 CB VAL A 51 11.707 0.270 -15.495 1.00 0.00 C ATOM 787 CG1 VAL A 51 10.469 0.762 -14.761 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.668 1.418 -15.766 1.00 0.00 C ATOM 0 HA VAL A 51 11.671 -1.591 -14.401 1.00 0.00 H new ATOM 0 HB VAL A 51 11.391 -0.143 -16.453 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.987 1.546 -15.345 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.774 -0.067 -14.624 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.757 1.159 -13.788 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.157 2.194 -16.336 1.00 0.00 H new ATOM 0 HG22 VAL A 51 13.016 1.832 -14.820 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.521 1.051 -16.337 1.00 0.00 H new ATOM 798 N TYR A 52 13.034 -2.337 -16.491 1.00 0.00 N ATOM 799 CA TYR A 52 13.950 -3.028 -17.391 1.00 0.00 C ATOM 800 C TYR A 52 13.579 -2.771 -18.848 1.00 0.00 C ATOM 801 O TYR A 52 12.508 -2.239 -19.144 1.00 0.00 O ATOM 802 CB TYR A 52 13.939 -4.532 -17.108 1.00 0.00 C ATOM 803 CG TYR A 52 14.070 -4.872 -15.640 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.248 -4.615 -14.950 1.00 0.00 C ATOM 805 CD2 TYR A 52 13.016 -5.452 -14.945 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.373 -4.925 -13.609 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.131 -5.764 -13.604 1.00 0.00 C ATOM 808 CZ TYR A 52 14.311 -5.499 -12.941 1.00 0.00 C ATOM 809 OH TYR A 52 14.430 -5.810 -11.606 1.00 0.00 O ATOM 0 H TYR A 52 12.050 -2.560 -16.638 1.00 0.00 H new ATOM 0 HA TYR A 52 14.953 -2.639 -17.216 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.011 -4.958 -17.490 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.756 -5.002 -17.656 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.081 -4.165 -15.471 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.091 -5.662 -15.462 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.296 -4.719 -13.087 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.302 -6.213 -13.078 1.00 0.00 H new ATOM 0 HH TYR A 52 13.593 -6.206 -11.287 1.00 0.00 H new ATOM 819 N LEU A 53 14.471 -3.155 -19.755 1.00 0.00 N ATOM 820 CA LEU A 53 14.239 -2.967 -21.183 1.00 0.00 C ATOM 821 C LEU A 53 13.467 -4.146 -21.769 1.00 0.00 C ATOM 822 O LEU A 53 13.769 -5.304 -21.480 1.00 0.00 O ATOM 823 CB LEU A 53 15.570 -2.799 -21.918 1.00 0.00 C ATOM 824 CG LEU A 53 15.886 -1.390 -22.420 1.00 0.00 C ATOM 825 CD1 LEU A 53 14.873 -0.957 -23.469 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.910 -0.404 -21.261 1.00 0.00 C ATOM 0 H LEU A 53 15.361 -3.598 -19.527 1.00 0.00 H new ATOM 0 HA LEU A 53 13.642 -2.064 -21.313 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.373 -3.114 -21.251 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.579 -3.478 -22.771 1.00 0.00 H new ATOM 0 HG LEU A 53 16.873 -1.403 -22.881 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.114 0.048 -23.815 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.904 -1.648 -24.312 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.874 -0.961 -23.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.136 0.594 -21.637 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.936 -0.395 -20.771 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.674 -0.704 -20.544 1.00 0.00 H new ATOM 838 N ARG A 54 12.470 -3.842 -22.594 1.00 0.00 N ATOM 839 CA ARG A 54 11.656 -4.876 -23.221 1.00 0.00 C ATOM 840 C ARG A 54 12.530 -5.877 -23.971 1.00 0.00 C ATOM 841 O ARG A 54 12.210 -7.063 -24.044 1.00 0.00 O ATOM 842 CB ARG A 54 10.645 -4.246 -24.181 1.00 0.00 C ATOM 843 CG ARG A 54 9.597 -5.223 -24.688 1.00 0.00 C ATOM 844 CD ARG A 54 8.199 -4.821 -24.244 1.00 0.00 C ATOM 845 NE ARG A 54 7.190 -5.147 -25.249 1.00 0.00 N ATOM 846 CZ ARG A 54 6.804 -6.387 -25.526 1.00 0.00 C ATOM 847 NH1 ARG A 54 7.338 -7.413 -24.877 1.00 0.00 N ATOM 848 NH2 ARG A 54 5.880 -6.604 -26.454 1.00 0.00 N ATOM 0 H ARG A 54 12.207 -2.889 -22.843 1.00 0.00 H new ATOM 0 HA ARG A 54 11.119 -5.407 -22.435 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.145 -3.419 -23.677 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.179 -3.825 -25.033 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.636 -5.267 -25.776 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.823 -6.224 -24.320 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.956 -5.327 -23.309 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.177 -3.750 -24.042 1.00 0.00 H new ATOM 0 HE ARG A 54 6.759 -4.381 -25.766 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.048 -7.251 -24.162 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.039 -8.364 -25.092 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.466 -5.818 -26.955 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.584 -7.557 -26.666 1.00 0.00 H new ATOM 862 N SER A 55 13.635 -5.390 -24.526 1.00 0.00 N ATOM 863 CA SER A 55 14.554 -6.240 -25.274 1.00 0.00 C ATOM 864 C SER A 55 15.417 -7.070 -24.329 1.00 0.00 C ATOM 865 O SER A 55 15.638 -8.260 -24.556 1.00 0.00 O ATOM 866 CB SER A 55 15.444 -5.390 -26.183 1.00 0.00 C ATOM 867 OG SER A 55 14.669 -4.657 -27.116 1.00 0.00 O ATOM 0 H SER A 55 13.916 -4.411 -24.472 1.00 0.00 H new ATOM 0 HA SER A 55 13.963 -6.919 -25.889 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.036 -4.703 -25.578 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.146 -6.033 -26.714 1.00 0.00 H new ATOM 0 HG SER A 55 15.261 -4.121 -27.684 1.00 0.00 H new ATOM 873 N ASP A 56 15.903 -6.434 -23.269 1.00 0.00 N ATOM 874 CA ASP A 56 16.742 -7.112 -22.288 1.00 0.00 C ATOM 875 C ASP A 56 15.964 -8.216 -21.579 1.00 0.00 C ATOM 876 O ASP A 56 16.505 -9.284 -21.291 1.00 0.00 O ATOM 877 CB ASP A 56 17.278 -6.110 -21.264 1.00 0.00 C ATOM 878 CG ASP A 56 18.789 -5.999 -21.299 1.00 0.00 C ATOM 879 OD1 ASP A 56 19.465 -6.985 -20.937 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.297 -4.926 -21.687 1.00 0.00 O ATOM 0 H ASP A 56 15.730 -5.449 -23.067 1.00 0.00 H new ATOM 0 HA ASP A 56 17.582 -7.565 -22.815 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.840 -5.130 -21.455 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.962 -6.411 -20.265 1.00 0.00 H new ATOM 885 N VAL A 57 14.692 -7.951 -21.299 1.00 0.00 N ATOM 886 CA VAL A 57 13.839 -8.922 -20.623 1.00 0.00 C ATOM 887 C VAL A 57 13.504 -10.091 -21.542 1.00 0.00 C ATOM 888 O VAL A 57 13.259 -11.205 -21.079 1.00 0.00 O ATOM 889 CB VAL A 57 12.530 -8.275 -20.135 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.653 -9.304 -19.437 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.827 -7.102 -19.212 1.00 0.00 C ATOM 0 H VAL A 57 14.229 -7.072 -21.530 1.00 0.00 H new ATOM 0 HA VAL A 57 14.397 -9.289 -19.761 1.00 0.00 H new ATOM 0 HB VAL A 57 11.987 -7.898 -21.001 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.732 -8.828 -19.099 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.412 -10.108 -20.132 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.186 -9.714 -18.579 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.890 -6.657 -18.877 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.392 -7.453 -18.348 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.412 -6.355 -19.749 1.00 0.00 H new ATOM 901 N GLU A 58 13.495 -9.830 -22.845 1.00 0.00 N ATOM 902 CA GLU A 58 13.189 -10.862 -23.829 1.00 0.00 C ATOM 903 C GLU A 58 14.261 -11.949 -23.828 1.00 0.00 C ATOM 904 O GLU A 58 13.961 -13.130 -23.659 1.00 0.00 O ATOM 905 CB GLU A 58 13.071 -10.248 -25.225 1.00 0.00 C ATOM 906 CG GLU A 58 12.694 -11.252 -26.301 1.00 0.00 C ATOM 907 CD GLU A 58 11.434 -10.862 -27.048 1.00 0.00 C ATOM 908 OE1 GLU A 58 10.400 -10.632 -26.386 1.00 0.00 O ATOM 909 OE2 GLU A 58 11.481 -10.785 -28.294 1.00 0.00 O ATOM 0 H GLU A 58 13.696 -8.913 -23.244 1.00 0.00 H new ATOM 0 HA GLU A 58 12.236 -11.315 -23.558 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.324 -9.455 -25.202 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.021 -9.783 -25.490 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.517 -11.346 -27.009 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.553 -12.232 -25.845 1.00 0.00 H new ATOM 916 N ALA A 59 15.511 -11.539 -24.019 1.00 0.00 N ATOM 917 CA ALA A 59 16.627 -12.476 -24.040 1.00 0.00 C ATOM 918 C ALA A 59 16.690 -13.283 -22.747 1.00 0.00 C ATOM 919 O ALA A 59 16.972 -14.482 -22.764 1.00 0.00 O ATOM 920 CB ALA A 59 17.936 -11.733 -24.265 1.00 0.00 C ATOM 0 H ALA A 59 15.776 -10.564 -24.161 1.00 0.00 H new ATOM 0 HA ALA A 59 16.470 -13.171 -24.865 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.761 -12.445 -24.278 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.896 -11.206 -25.218 1.00 0.00 H new ATOM 0 HB3 ALA A 59 18.090 -11.015 -23.460 1.00 0.00 H new ATOM 926 N LYS A 60 16.427 -12.619 -21.627 1.00 0.00 N ATOM 927 CA LYS A 60 16.453 -13.274 -20.325 1.00 0.00 C ATOM 928 C LYS A 60 15.525 -14.485 -20.306 1.00 0.00 C ATOM 929 O LYS A 60 15.748 -15.437 -19.558 1.00 0.00 O ATOM 930 CB LYS A 60 16.045 -12.288 -19.227 1.00 0.00 C ATOM 931 CG LYS A 60 16.036 -12.897 -17.835 1.00 0.00 C ATOM 932 CD LYS A 60 17.420 -13.374 -17.427 1.00 0.00 C ATOM 933 CE LYS A 60 18.397 -12.215 -17.308 1.00 0.00 C ATOM 934 NZ LYS A 60 19.327 -12.150 -18.469 1.00 0.00 N ATOM 0 H LYS A 60 16.193 -11.627 -21.595 1.00 0.00 H new ATOM 0 HA LYS A 60 17.471 -13.616 -20.138 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.730 -11.440 -19.239 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.052 -11.899 -19.451 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.678 -12.160 -17.117 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.339 -13.734 -17.807 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.359 -13.899 -16.474 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.790 -14.089 -18.161 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.843 -11.279 -17.234 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.972 -12.318 -16.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 19.931 -11.308 -18.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.922 -13.003 -18.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.778 -12.094 -19.351 1.00 0.00 H new ATOM 948 N SER A 61 14.486 -14.441 -21.134 1.00 0.00 N ATOM 949 CA SER A 61 13.524 -15.534 -21.210 1.00 0.00 C ATOM 950 C SER A 61 14.037 -16.647 -22.120 1.00 0.00 C ATOM 951 O SER A 61 13.665 -17.811 -21.966 1.00 0.00 O ATOM 952 CB SER A 61 12.177 -15.021 -21.722 1.00 0.00 C ATOM 953 OG SER A 61 11.982 -15.369 -23.082 1.00 0.00 O ATOM 0 H SER A 61 14.289 -13.661 -21.761 1.00 0.00 H new ATOM 0 HA SER A 61 13.392 -15.940 -20.207 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.372 -15.439 -21.118 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.131 -13.938 -21.610 1.00 0.00 H new ATOM 0 HG SER A 61 12.540 -14.797 -23.649 1.00 0.00 H new ATOM 959 N LEU A 62 14.892 -16.280 -23.067 1.00 0.00 N ATOM 960 CA LEU A 62 15.457 -17.246 -24.003 1.00 0.00 C ATOM 961 C LEU A 62 16.662 -17.955 -23.393 1.00 0.00 C ATOM 962 O LEU A 62 16.909 -19.128 -23.669 1.00 0.00 O ATOM 963 CB LEU A 62 15.865 -16.548 -25.302 1.00 0.00 C ATOM 964 CG LEU A 62 14.836 -15.588 -25.900 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.318 -15.056 -27.240 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.488 -16.277 -26.051 1.00 0.00 C ATOM 0 H LEU A 62 15.210 -15.321 -23.208 1.00 0.00 H new ATOM 0 HA LEU A 62 14.693 -17.992 -24.223 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.786 -15.994 -25.120 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.094 -17.312 -26.045 1.00 0.00 H new ATOM 0 HG LEU A 62 14.716 -14.745 -25.220 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.573 -14.375 -27.650 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.260 -14.524 -27.103 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.468 -15.887 -27.929 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.768 -15.579 -26.478 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.592 -17.139 -26.710 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.137 -16.608 -25.074 1.00 0.00 H new ATOM 978 N GLU A 63 17.408 -17.234 -22.562 1.00 0.00 N ATOM 979 CA GLU A 63 18.586 -17.795 -21.912 1.00 0.00 C ATOM 980 C GLU A 63 18.186 -18.758 -20.798 1.00 0.00 C ATOM 981 O GLU A 63 18.944 -19.661 -20.441 1.00 0.00 O ATOM 982 CB GLU A 63 19.464 -16.678 -21.344 1.00 0.00 C ATOM 983 CG GLU A 63 18.897 -16.037 -20.088 1.00 0.00 C ATOM 984 CD GLU A 63 19.570 -16.536 -18.824 1.00 0.00 C ATOM 985 OE1 GLU A 63 20.204 -17.611 -18.874 1.00 0.00 O ATOM 986 OE2 GLU A 63 19.462 -15.851 -17.786 1.00 0.00 O ATOM 0 H GLU A 63 17.217 -16.261 -22.323 1.00 0.00 H new ATOM 0 HA GLU A 63 19.153 -18.348 -22.661 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.452 -17.081 -21.122 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.597 -15.910 -22.105 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.012 -14.955 -20.153 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.828 -16.242 -20.031 1.00 0.00 H new ATOM 993 N VAL A 64 16.991 -18.559 -20.253 1.00 0.00 N ATOM 994 CA VAL A 64 16.489 -19.409 -19.180 1.00 0.00 C ATOM 995 C VAL A 64 15.690 -20.583 -19.736 1.00 0.00 C ATOM 996 O VAL A 64 16.154 -21.723 -19.725 1.00 0.00 O ATOM 997 CB VAL A 64 15.601 -18.615 -18.203 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.042 -19.531 -17.124 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.383 -17.466 -17.587 1.00 0.00 C ATOM 0 H VAL A 64 16.352 -17.816 -20.537 1.00 0.00 H new ATOM 0 HA VAL A 64 17.359 -19.787 -18.643 1.00 0.00 H new ATOM 0 HB VAL A 64 14.763 -18.196 -18.759 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.417 -18.952 -16.443 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.444 -20.316 -17.587 1.00 0.00 H new ATOM 0 HG13 VAL A 64 15.864 -19.982 -16.568 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.740 -16.916 -16.900 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.242 -17.860 -17.044 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.728 -16.797 -18.375 1.00 0.00 H new ATOM 1009 N TRP A 65 14.489 -20.295 -20.223 1.00 0.00 N ATOM 1010 CA TRP A 65 13.625 -21.328 -20.785 1.00 0.00 C ATOM 1011 C TRP A 65 14.294 -22.009 -21.974 1.00 0.00 C ATOM 1012 O TRP A 65 13.996 -23.160 -22.290 1.00 0.00 O ATOM 1013 CB TRP A 65 12.287 -20.724 -21.214 1.00 0.00 C ATOM 1014 CG TRP A 65 11.322 -20.553 -20.079 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.102 -19.416 -19.355 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.448 -21.550 -19.539 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.145 -19.647 -18.397 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.727 -20.948 -18.490 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.204 -22.893 -19.842 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 8.781 -21.644 -17.743 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.264 -23.582 -19.099 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.561 -22.957 -18.060 1.00 0.00 C ATOM 0 H TRP A 65 14.091 -19.356 -20.240 1.00 0.00 H new ATOM 0 HA TRP A 65 13.447 -22.077 -20.014 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.466 -19.754 -21.678 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.835 -21.362 -21.973 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.606 -18.474 -19.512 1.00 0.00 H new ATOM 0 HE1 TRP A 65 9.801 -18.961 -17.725 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.740 -23.383 -20.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.239 -21.165 -16.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.068 -24.620 -19.323 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.832 -23.522 -17.499 1.00 0.00 H new ATOM 1033 N GLY A 66 15.199 -21.290 -22.630 1.00 0.00 N ATOM 1034 CA GLY A 66 15.896 -21.842 -23.777 1.00 0.00 C ATOM 1035 C GLY A 66 15.441 -21.225 -25.085 1.00 0.00 C ATOM 1036 O GLY A 66 16.260 -20.899 -25.944 1.00 0.00 O ATOM 0 H GLY A 66 15.462 -20.335 -22.388 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.968 -21.683 -23.658 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.735 -22.919 -23.812 1.00 0.00 H new ATOM 1040 N SER A 67 14.130 -21.064 -25.237 1.00 0.00 N ATOM 1041 CA SER A 67 13.567 -20.487 -26.452 1.00 0.00 C ATOM 1042 C SER A 67 12.238 -19.796 -26.159 1.00 0.00 C ATOM 1043 O SER A 67 11.587 -20.051 -25.146 1.00 0.00 O ATOM 1044 CB SER A 67 13.368 -21.571 -27.513 1.00 0.00 C ATOM 1045 OG SER A 67 13.578 -22.862 -26.968 1.00 0.00 O ATOM 0 H SER A 67 13.438 -21.325 -24.534 1.00 0.00 H new ATOM 0 HA SER A 67 14.268 -19.743 -26.830 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.359 -21.505 -27.921 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.058 -21.405 -28.341 1.00 0.00 H new ATOM 0 HG SER A 67 13.443 -23.537 -27.665 1.00 0.00 H new ATOM 1051 N PRO A 68 11.825 -18.901 -27.068 1.00 0.00 N ATOM 1052 CA PRO A 68 10.570 -18.155 -26.931 1.00 0.00 C ATOM 1053 C PRO A 68 9.345 -19.045 -27.107 1.00 0.00 C ATOM 1054 O PRO A 68 8.239 -18.677 -26.713 1.00 0.00 O ATOM 1055 CB PRO A 68 10.647 -17.122 -28.058 1.00 0.00 C ATOM 1056 CG PRO A 68 11.549 -17.734 -29.073 1.00 0.00 C ATOM 1057 CD PRO A 68 12.550 -18.548 -28.300 1.00 0.00 C ATOM 0 HA PRO A 68 10.462 -17.717 -25.939 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.661 -16.918 -28.476 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.043 -16.172 -27.698 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.988 -18.361 -29.766 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.045 -16.967 -29.667 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.859 -19.435 -28.853 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.453 -17.976 -28.085 1.00 0.00 H new ATOM 1065 N GLU A 69 9.550 -20.216 -27.701 1.00 0.00 N ATOM 1066 CA GLU A 69 8.460 -21.157 -27.929 1.00 0.00 C ATOM 1067 C GLU A 69 8.056 -21.847 -26.629 1.00 0.00 C ATOM 1068 O GLU A 69 6.902 -22.237 -26.453 1.00 0.00 O ATOM 1069 CB GLU A 69 8.868 -22.203 -28.968 1.00 0.00 C ATOM 1070 CG GLU A 69 8.721 -21.725 -30.403 1.00 0.00 C ATOM 1071 CD GLU A 69 7.282 -21.747 -30.881 1.00 0.00 C ATOM 1072 OE1 GLU A 69 6.711 -22.852 -30.990 1.00 0.00 O ATOM 1073 OE2 GLU A 69 6.728 -20.659 -31.145 1.00 0.00 O ATOM 0 H GLU A 69 10.460 -20.536 -28.033 1.00 0.00 H new ATOM 0 HA GLU A 69 7.604 -20.597 -28.305 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.905 -22.490 -28.794 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.261 -23.098 -28.828 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.112 -20.711 -30.486 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.326 -22.354 -31.055 1.00 0.00 H new ATOM 1080 N ALA A 70 9.016 -21.995 -25.721 1.00 0.00 N ATOM 1081 CA ALA A 70 8.761 -22.636 -24.437 1.00 0.00 C ATOM 1082 C ALA A 70 7.846 -21.779 -23.568 1.00 0.00 C ATOM 1083 O ALA A 70 7.023 -22.300 -22.814 1.00 0.00 O ATOM 1084 CB ALA A 70 10.072 -22.911 -23.715 1.00 0.00 C ATOM 0 H ALA A 70 9.977 -21.680 -25.851 1.00 0.00 H new ATOM 0 HA ALA A 70 8.257 -23.584 -24.625 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.867 -23.390 -22.758 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.692 -23.569 -24.324 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.598 -21.971 -23.545 1.00 0.00 H new ATOM 1090 N LEU A 71 7.995 -20.464 -23.678 1.00 0.00 N ATOM 1091 CA LEU A 71 7.182 -19.534 -22.901 1.00 0.00 C ATOM 1092 C LEU A 71 5.820 -19.325 -23.554 1.00 0.00 C ATOM 1093 O LEU A 71 4.801 -19.229 -22.871 1.00 0.00 O ATOM 1094 CB LEU A 71 7.903 -18.193 -22.757 1.00 0.00 C ATOM 1095 CG LEU A 71 7.108 -17.073 -22.085 1.00 0.00 C ATOM 1096 CD1 LEU A 71 6.992 -17.323 -20.590 1.00 0.00 C ATOM 1097 CD2 LEU A 71 7.758 -15.723 -22.353 1.00 0.00 C ATOM 0 H LEU A 71 8.671 -20.017 -24.297 1.00 0.00 H new ATOM 0 HA LEU A 71 7.027 -19.964 -21.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.818 -18.354 -22.187 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.201 -17.855 -23.749 1.00 0.00 H new ATOM 0 HG LEU A 71 6.104 -17.061 -22.509 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.423 -16.516 -20.129 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.482 -18.271 -20.418 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.988 -17.362 -20.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.179 -14.938 -21.867 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.773 -15.723 -21.957 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.788 -15.540 -23.427 1.00 0.00 H new ATOM 1109 N ALA A 72 5.811 -19.257 -24.882 1.00 0.00 N ATOM 1110 CA ALA A 72 4.574 -19.063 -25.628 1.00 0.00 C ATOM 1111 C ALA A 72 3.556 -20.149 -25.295 1.00 0.00 C ATOM 1112 O ALA A 72 2.348 -19.920 -25.355 1.00 0.00 O ATOM 1113 CB ALA A 72 4.857 -19.042 -27.123 1.00 0.00 C ATOM 0 H ALA A 72 6.646 -19.333 -25.462 1.00 0.00 H new ATOM 0 HA ALA A 72 4.150 -18.102 -25.336 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.924 -18.896 -27.668 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.542 -18.226 -27.352 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.308 -19.989 -27.421 1.00 0.00 H new ATOM 1119 N ARG A 73 4.053 -21.332 -24.947 1.00 0.00 N ATOM 1120 CA ARG A 73 3.186 -22.454 -24.607 1.00 0.00 C ATOM 1121 C ARG A 73 2.242 -22.086 -23.467 1.00 0.00 C ATOM 1122 O ARG A 73 1.083 -22.499 -23.450 1.00 0.00 O ATOM 1123 CB ARG A 73 4.024 -23.673 -24.216 1.00 0.00 C ATOM 1124 CG ARG A 73 4.999 -24.114 -25.296 1.00 0.00 C ATOM 1125 CD ARG A 73 4.693 -25.522 -25.780 1.00 0.00 C ATOM 1126 NE ARG A 73 4.922 -25.670 -27.215 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.791 -26.820 -27.866 1.00 0.00 C ATOM 1128 NH1 ARG A 73 4.435 -27.918 -27.213 1.00 0.00 N ATOM 1129 NH2 ARG A 73 5.017 -26.874 -29.172 1.00 0.00 N ATOM 0 H ARG A 73 5.051 -21.538 -24.893 1.00 0.00 H new ATOM 0 HA ARG A 73 2.589 -22.698 -25.486 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.581 -23.444 -23.307 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.356 -24.502 -23.981 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.951 -23.421 -26.136 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.017 -24.075 -24.907 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.315 -26.235 -25.238 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.656 -25.766 -25.551 1.00 0.00 H new ATOM 0 HE ARG A 73 5.198 -24.844 -27.746 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.261 -27.880 -26.209 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.335 -28.800 -27.715 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.292 -26.032 -29.677 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.916 -27.758 -29.671 1.00 0.00 H new ATOM 1143 N GLU A 74 2.746 -21.306 -22.515 1.00 0.00 N ATOM 1144 CA GLU A 74 1.947 -20.884 -21.371 1.00 0.00 C ATOM 1145 C GLU A 74 1.202 -19.588 -21.676 1.00 0.00 C ATOM 1146 O GLU A 74 0.063 -19.397 -21.248 1.00 0.00 O ATOM 1147 CB GLU A 74 2.838 -20.695 -20.141 1.00 0.00 C ATOM 1148 CG GLU A 74 3.511 -21.975 -19.675 1.00 0.00 C ATOM 1149 CD GLU A 74 2.549 -23.144 -19.593 1.00 0.00 C ATOM 1150 OE1 GLU A 74 1.845 -23.263 -18.569 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.501 -23.940 -20.554 1.00 0.00 O ATOM 0 H GLU A 74 3.703 -20.954 -22.514 1.00 0.00 H new ATOM 0 HA GLU A 74 1.214 -21.664 -21.164 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.604 -19.954 -20.368 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.237 -20.293 -19.326 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.322 -22.224 -20.359 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.960 -21.809 -18.696 1.00 0.00 H new ATOM 1158 N LYS A 75 1.852 -18.699 -22.419 1.00 0.00 N ATOM 1159 CA LYS A 75 1.253 -17.421 -22.784 1.00 0.00 C ATOM 1160 C LYS A 75 -0.110 -17.626 -23.438 1.00 0.00 C ATOM 1161 O LYS A 75 -1.025 -16.823 -23.255 1.00 0.00 O ATOM 1162 CB LYS A 75 2.176 -16.654 -23.734 1.00 0.00 C ATOM 1163 CG LYS A 75 3.539 -16.344 -23.139 1.00 0.00 C ATOM 1164 CD LYS A 75 3.577 -14.953 -22.528 1.00 0.00 C ATOM 1165 CE LYS A 75 2.759 -14.884 -21.248 1.00 0.00 C ATOM 1166 NZ LYS A 75 1.421 -14.273 -21.477 1.00 0.00 N ATOM 0 H LYS A 75 2.795 -18.840 -22.781 1.00 0.00 H new ATOM 0 HA LYS A 75 1.116 -16.839 -21.873 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.311 -17.236 -24.645 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.693 -15.720 -24.021 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.781 -17.084 -22.376 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.302 -16.423 -23.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.610 -14.675 -22.316 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.193 -14.228 -23.246 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.635 -15.888 -20.842 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.301 -14.303 -20.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.698 -14.818 -20.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.424 -13.292 -21.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.205 -14.281 -22.494 1.00 0.00 H new