USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 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= 0.11 USER MOD Single : A 22 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.13) USER MOD Single : A 25 CYS SG : rot 55:sc= 0.0803 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -83:sc= 0.13 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0531 K(o=-0.053,f=-1.4) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -75:sc= 0.191 USER MOD Single : A 67 SER OG : rot 180:sc= -0.12 USER MOD Single : A 75 LYS NZ :NH3+ -124:sc= 1.02 (180deg=-0.0657) USER MOD ----------------------------------------------------------------- ATOM 168 N PHE A 14 8.972 0.591 -21.640 1.00 0.00 N ATOM 169 CA PHE A 14 9.513 -0.019 -20.431 1.00 0.00 C ATOM 170 C PHE A 14 8.476 -0.920 -19.765 1.00 0.00 C ATOM 171 O PHE A 14 7.277 -0.644 -19.814 1.00 0.00 O ATOM 172 CB PHE A 14 9.971 1.062 -19.450 1.00 0.00 C ATOM 173 CG PHE A 14 11.155 1.848 -19.935 1.00 0.00 C ATOM 174 CD1 PHE A 14 11.003 2.830 -20.901 1.00 0.00 C ATOM 175 CD2 PHE A 14 12.421 1.605 -19.426 1.00 0.00 C ATOM 176 CE1 PHE A 14 12.091 3.555 -21.350 1.00 0.00 C ATOM 177 CE2 PHE A 14 13.512 2.328 -19.870 1.00 0.00 C ATOM 178 CZ PHE A 14 13.347 3.304 -20.834 1.00 0.00 C ATOM 0 HA PHE A 14 10.370 -0.629 -20.715 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.143 1.746 -19.263 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.221 0.595 -18.497 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.023 3.031 -21.308 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.557 0.842 -18.674 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.959 4.317 -22.104 1.00 0.00 H new ATOM 0 HE2 PHE A 14 14.493 2.130 -19.464 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.198 3.869 -21.183 1.00 0.00 H new ATOM 188 N ILE A 15 8.947 -1.996 -19.145 1.00 0.00 N ATOM 189 CA ILE A 15 8.062 -2.937 -18.470 1.00 0.00 C ATOM 190 C ILE A 15 8.455 -3.106 -17.006 1.00 0.00 C ATOM 191 O ILE A 15 9.636 -3.224 -16.677 1.00 0.00 O ATOM 192 CB ILE A 15 8.076 -4.315 -19.156 1.00 0.00 C ATOM 193 CG1 ILE A 15 7.097 -5.264 -18.462 1.00 0.00 C ATOM 194 CG2 ILE A 15 9.482 -4.897 -19.148 1.00 0.00 C ATOM 195 CD1 ILE A 15 6.991 -6.618 -19.130 1.00 0.00 C ATOM 0 H ILE A 15 9.937 -2.238 -19.096 1.00 0.00 H new ATOM 0 HA ILE A 15 7.056 -2.522 -18.529 1.00 0.00 H new ATOM 0 HB ILE A 15 7.761 -4.192 -20.192 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.409 -5.402 -17.427 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.110 -4.801 -18.438 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.475 -5.871 -19.637 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.156 -4.228 -19.683 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.823 -5.009 -18.119 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.280 -7.238 -18.585 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.649 -6.491 -20.157 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.968 -7.101 -19.130 1.00 0.00 H new ATOM 207 N THR A 16 7.455 -3.119 -16.129 1.00 0.00 N ATOM 208 CA THR A 16 7.695 -3.275 -14.700 1.00 0.00 C ATOM 209 C THR A 16 8.380 -4.604 -14.399 1.00 0.00 C ATOM 210 O THR A 16 8.355 -5.524 -15.214 1.00 0.00 O ATOM 211 CB THR A 16 6.383 -3.193 -13.898 1.00 0.00 C ATOM 212 OG1 THR A 16 5.280 -2.972 -14.784 1.00 0.00 O ATOM 213 CG2 THR A 16 6.446 -2.075 -12.869 1.00 0.00 C ATOM 0 H THR A 16 6.472 -3.023 -16.384 1.00 0.00 H new ATOM 0 HA THR A 16 8.348 -2.456 -14.398 1.00 0.00 H new ATOM 0 HB THR A 16 6.244 -4.139 -13.374 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.449 -2.923 -14.266 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.508 -2.037 -12.315 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.268 -2.262 -12.178 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.607 -1.123 -13.375 1.00 0.00 H new ATOM 221 N GLY A 17 8.989 -4.697 -13.221 1.00 0.00 N ATOM 222 CA GLY A 17 9.672 -5.917 -12.833 1.00 0.00 C ATOM 223 C GLY A 17 8.714 -7.071 -12.609 1.00 0.00 C ATOM 224 O GLY A 17 8.730 -8.053 -13.351 1.00 0.00 O ATOM 0 H GLY A 17 9.022 -3.949 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.390 -6.190 -13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.240 -5.737 -11.920 1.00 0.00 H new ATOM 228 N VAL A 18 7.877 -6.953 -11.583 1.00 0.00 N ATOM 229 CA VAL A 18 6.908 -7.994 -11.264 1.00 0.00 C ATOM 230 C VAL A 18 6.053 -8.340 -12.477 1.00 0.00 C ATOM 231 O VAL A 18 5.566 -9.464 -12.607 1.00 0.00 O ATOM 232 CB VAL A 18 5.987 -7.567 -10.105 1.00 0.00 C ATOM 233 CG1 VAL A 18 5.123 -6.385 -10.518 1.00 0.00 C ATOM 234 CG2 VAL A 18 5.125 -8.736 -9.652 1.00 0.00 C ATOM 0 H VAL A 18 7.851 -6.147 -10.959 1.00 0.00 H new ATOM 0 HA VAL A 18 7.477 -8.874 -10.962 1.00 0.00 H new ATOM 0 HB VAL A 18 6.608 -7.256 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.479 -6.097 -9.687 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.762 -5.545 -10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.508 -6.665 -11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.481 -8.417 -8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.511 -9.079 -10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.765 -9.551 -9.314 1.00 0.00 H new ATOM 244 N ARG A 19 5.873 -7.368 -13.365 1.00 0.00 N ATOM 245 CA ARG A 19 5.076 -7.569 -14.569 1.00 0.00 C ATOM 246 C ARG A 19 5.777 -8.523 -15.532 1.00 0.00 C ATOM 247 O ARG A 19 5.128 -9.279 -16.254 1.00 0.00 O ATOM 248 CB ARG A 19 4.811 -6.231 -15.261 1.00 0.00 C ATOM 249 CG ARG A 19 3.370 -5.761 -15.149 1.00 0.00 C ATOM 250 CD ARG A 19 2.490 -6.406 -16.209 1.00 0.00 C ATOM 251 NE ARG A 19 2.071 -7.752 -15.828 1.00 0.00 N ATOM 252 CZ ARG A 19 1.181 -8.002 -14.874 1.00 0.00 C ATOM 253 NH1 ARG A 19 0.619 -7.003 -14.208 1.00 0.00 N ATOM 254 NH2 ARG A 19 0.851 -9.254 -14.584 1.00 0.00 N ATOM 0 H ARG A 19 6.269 -6.432 -13.273 1.00 0.00 H new ATOM 0 HA ARG A 19 4.124 -8.012 -14.275 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.466 -5.473 -14.830 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.075 -6.318 -16.315 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.984 -6.001 -14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.331 -4.677 -15.252 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.609 -5.786 -16.375 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.033 -6.449 -17.153 1.00 0.00 H new ATOM 0 HE ARG A 19 2.484 -8.543 -16.321 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.870 -6.039 -14.428 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.064 -7.198 -13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.281 -10.026 -15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.168 -9.445 -13.851 1.00 0.00 H new ATOM 268 N ALA A 20 7.105 -8.480 -15.537 1.00 0.00 N ATOM 269 CA ALA A 20 7.894 -9.340 -16.410 1.00 0.00 C ATOM 270 C ALA A 20 8.120 -10.708 -15.774 1.00 0.00 C ATOM 271 O ALA A 20 8.221 -11.717 -16.472 1.00 0.00 O ATOM 272 CB ALA A 20 9.226 -8.681 -16.736 1.00 0.00 C ATOM 0 H ALA A 20 7.657 -7.859 -14.946 1.00 0.00 H new ATOM 0 HA ALA A 20 7.337 -9.486 -17.336 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.805 -9.334 -17.389 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.048 -7.731 -17.239 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.780 -8.505 -15.814 1.00 0.00 H new ATOM 278 N ILE A 21 8.199 -10.733 -14.448 1.00 0.00 N ATOM 279 CA ILE A 21 8.412 -11.977 -13.720 1.00 0.00 C ATOM 280 C ILE A 21 7.179 -12.871 -13.786 1.00 0.00 C ATOM 281 O ILE A 21 7.279 -14.093 -13.675 1.00 0.00 O ATOM 282 CB ILE A 21 8.762 -11.713 -12.243 1.00 0.00 C ATOM 283 CG1 ILE A 21 10.017 -10.844 -12.142 1.00 0.00 C ATOM 284 CG2 ILE A 21 8.960 -13.026 -11.502 1.00 0.00 C ATOM 285 CD1 ILE A 21 10.266 -10.300 -10.752 1.00 0.00 C ATOM 0 H ILE A 21 8.119 -9.906 -13.856 1.00 0.00 H new ATOM 0 HA ILE A 21 9.251 -12.482 -14.199 1.00 0.00 H new ATOM 0 HB ILE A 21 7.933 -11.178 -11.779 1.00 0.00 H new ATOM 0 HG12 ILE A 21 10.881 -11.431 -12.454 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.929 -10.011 -12.839 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.207 -12.822 -10.460 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.043 -13.613 -11.550 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.773 -13.586 -11.964 1.00 0.00 H new ATOM 0 HD11 ILE A 21 11.172 -9.694 -10.755 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.419 -9.686 -10.444 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.386 -11.128 -10.053 1.00 0.00 H new ATOM 297 N ASN A 22 6.016 -12.254 -13.968 1.00 0.00 N ATOM 298 CA ASN A 22 4.762 -12.994 -14.050 1.00 0.00 C ATOM 299 C ASN A 22 4.428 -13.339 -15.498 1.00 0.00 C ATOM 300 O ASN A 22 3.794 -14.357 -15.774 1.00 0.00 O ATOM 301 CB ASN A 22 3.624 -12.180 -13.432 1.00 0.00 C ATOM 302 CG ASN A 22 3.406 -12.510 -11.968 1.00 0.00 C ATOM 303 OD1 ASN A 22 3.197 -13.668 -11.605 1.00 0.00 O ATOM 304 ND2 ASN A 22 3.455 -11.490 -11.118 1.00 0.00 N ATOM 0 H ASN A 22 5.916 -11.243 -14.062 1.00 0.00 H new ATOM 0 HA ASN A 22 4.880 -13.923 -13.492 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.844 -11.117 -13.533 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.704 -12.369 -13.985 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.317 -11.650 -10.120 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.631 -10.546 -11.463 1.00 0.00 H new ATOM 311 N GLU A 23 4.860 -12.483 -16.419 1.00 0.00 N ATOM 312 CA GLU A 23 4.606 -12.697 -17.839 1.00 0.00 C ATOM 313 C GLU A 23 5.641 -13.643 -18.440 1.00 0.00 C ATOM 314 O GLU A 23 5.298 -14.700 -18.972 1.00 0.00 O ATOM 315 CB GLU A 23 4.621 -11.364 -18.590 1.00 0.00 C ATOM 316 CG GLU A 23 3.389 -10.511 -18.339 1.00 0.00 C ATOM 317 CD GLU A 23 2.210 -10.921 -19.200 1.00 0.00 C ATOM 318 OE1 GLU A 23 2.356 -10.927 -20.441 1.00 0.00 O ATOM 319 OE2 GLU A 23 1.143 -11.236 -18.634 1.00 0.00 O ATOM 0 H GLU A 23 5.387 -11.636 -16.207 1.00 0.00 H new ATOM 0 HA GLU A 23 3.621 -13.152 -17.941 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.508 -10.802 -18.298 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.706 -11.560 -19.659 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.109 -10.584 -17.288 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.630 -9.466 -18.533 1.00 0.00 H new ATOM 326 N PHE A 24 6.909 -13.256 -18.353 1.00 0.00 N ATOM 327 CA PHE A 24 7.995 -14.068 -18.889 1.00 0.00 C ATOM 328 C PHE A 24 8.253 -15.284 -18.005 1.00 0.00 C ATOM 329 O PHE A 24 8.909 -16.240 -18.421 1.00 0.00 O ATOM 330 CB PHE A 24 9.272 -13.233 -19.012 1.00 0.00 C ATOM 331 CG PHE A 24 9.167 -12.123 -20.018 1.00 0.00 C ATOM 332 CD1 PHE A 24 8.704 -10.872 -19.642 1.00 0.00 C ATOM 333 CD2 PHE A 24 9.532 -12.329 -21.339 1.00 0.00 C ATOM 334 CE1 PHE A 24 8.605 -9.848 -20.566 1.00 0.00 C ATOM 335 CE2 PHE A 24 9.436 -11.309 -22.267 1.00 0.00 C ATOM 336 CZ PHE A 24 8.973 -10.067 -21.879 1.00 0.00 C ATOM 0 H PHE A 24 7.210 -12.385 -17.916 1.00 0.00 H new ATOM 0 HA PHE A 24 7.700 -14.416 -19.879 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.514 -12.808 -18.038 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.099 -13.887 -19.289 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.417 -10.695 -18.616 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.896 -13.298 -21.647 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.240 -8.878 -20.261 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.723 -11.483 -23.294 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.899 -9.268 -22.602 1.00 0.00 H new ATOM 346 N CYS A 25 7.733 -15.241 -16.783 1.00 0.00 N ATOM 347 CA CYS A 25 7.908 -16.338 -15.838 1.00 0.00 C ATOM 348 C CYS A 25 9.387 -16.588 -15.563 1.00 0.00 C ATOM 349 O CYS A 25 9.917 -17.653 -15.883 1.00 0.00 O ATOM 350 CB CYS A 25 7.254 -17.611 -16.376 1.00 0.00 C ATOM 351 SG CYS A 25 5.491 -17.438 -16.742 1.00 0.00 S ATOM 0 H CYS A 25 7.187 -14.458 -16.424 1.00 0.00 H new ATOM 0 HA CYS A 25 7.426 -16.059 -14.901 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.774 -17.918 -17.283 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.386 -18.410 -15.647 1.00 0.00 H new ATOM 0 HG CYS A 25 5.313 -16.445 -17.562 1.00 0.00 H new ATOM 357 N LEU A 26 10.048 -15.601 -14.969 1.00 0.00 N ATOM 358 CA LEU A 26 11.468 -15.713 -14.652 1.00 0.00 C ATOM 359 C LEU A 26 11.694 -15.663 -13.144 1.00 0.00 C ATOM 360 O LEU A 26 10.745 -15.700 -12.361 1.00 0.00 O ATOM 361 CB LEU A 26 12.253 -14.593 -15.335 1.00 0.00 C ATOM 362 CG LEU A 26 11.988 -14.402 -16.829 1.00 0.00 C ATOM 363 CD1 LEU A 26 12.266 -12.964 -17.240 1.00 0.00 C ATOM 364 CD2 LEU A 26 12.834 -15.366 -17.648 1.00 0.00 C ATOM 0 H LEU A 26 9.624 -14.714 -14.697 1.00 0.00 H new ATOM 0 HA LEU A 26 11.824 -16.674 -15.022 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.030 -13.656 -14.824 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.317 -14.786 -15.197 1.00 0.00 H new ATOM 0 HG LEU A 26 10.937 -14.617 -17.023 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.072 -12.846 -18.306 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.617 -12.293 -16.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.308 -12.721 -17.032 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.633 -15.216 -18.709 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.890 -15.182 -17.450 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.586 -16.391 -17.373 1.00 0.00 H new ATOM 376 N LYS A 27 12.958 -15.576 -12.744 1.00 0.00 N ATOM 377 CA LYS A 27 13.311 -15.516 -11.330 1.00 0.00 C ATOM 378 C LYS A 27 13.649 -14.088 -10.914 1.00 0.00 C ATOM 379 O LYS A 27 14.060 -13.272 -11.738 1.00 0.00 O ATOM 380 CB LYS A 27 14.498 -16.438 -11.040 1.00 0.00 C ATOM 381 CG LYS A 27 14.092 -17.839 -10.618 1.00 0.00 C ATOM 382 CD LYS A 27 14.371 -18.854 -11.714 1.00 0.00 C ATOM 383 CE LYS A 27 13.145 -19.088 -12.583 1.00 0.00 C ATOM 384 NZ LYS A 27 13.491 -19.772 -13.859 1.00 0.00 N ATOM 0 H LYS A 27 13.756 -15.545 -13.379 1.00 0.00 H new ATOM 0 HA LYS A 27 12.450 -15.850 -10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.123 -16.503 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.109 -15.994 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.634 -18.119 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.031 -17.852 -10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.196 -18.504 -12.334 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.686 -19.797 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.420 -19.689 -12.034 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.667 -18.133 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.628 -19.913 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.163 -19.187 -14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.924 -20.695 -13.652 1.00 0.00 H new ATOM 398 N SER A 28 13.475 -13.794 -9.629 1.00 0.00 N ATOM 399 CA SER A 28 13.759 -12.464 -9.104 1.00 0.00 C ATOM 400 C SER A 28 15.244 -12.137 -9.229 1.00 0.00 C ATOM 401 O SER A 28 15.629 -10.971 -9.318 1.00 0.00 O ATOM 402 CB SER A 28 13.325 -12.367 -7.640 1.00 0.00 C ATOM 403 OG SER A 28 13.084 -13.652 -7.093 1.00 0.00 O ATOM 0 H SER A 28 13.139 -14.459 -8.933 1.00 0.00 H new ATOM 0 HA SER A 28 13.194 -11.740 -9.691 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.098 -11.861 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.422 -11.761 -7.565 1.00 0.00 H new ATOM 0 HG SER A 28 12.178 -13.943 -7.327 1.00 0.00 H new ATOM 409 N SER A 29 16.074 -13.175 -9.234 1.00 0.00 N ATOM 410 CA SER A 29 17.517 -12.999 -9.344 1.00 0.00 C ATOM 411 C SER A 29 17.916 -12.662 -10.777 1.00 0.00 C ATOM 412 O SER A 29 18.922 -11.992 -11.012 1.00 0.00 O ATOM 413 CB SER A 29 18.243 -14.265 -8.885 1.00 0.00 C ATOM 414 OG SER A 29 17.863 -14.622 -7.568 1.00 0.00 O ATOM 0 H SER A 29 15.772 -14.147 -9.163 1.00 0.00 H new ATOM 0 HA SER A 29 17.807 -12.169 -8.700 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.017 -15.085 -9.567 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.320 -14.105 -8.925 1.00 0.00 H new ATOM 0 HG SER A 29 18.340 -15.435 -7.299 1.00 0.00 H new ATOM 420 N ASP A 30 17.120 -13.131 -11.732 1.00 0.00 N ATOM 421 CA ASP A 30 17.388 -12.880 -13.143 1.00 0.00 C ATOM 422 C ASP A 30 17.110 -11.422 -13.497 1.00 0.00 C ATOM 423 O ASP A 30 17.960 -10.738 -14.070 1.00 0.00 O ATOM 424 CB ASP A 30 16.537 -13.801 -14.018 1.00 0.00 C ATOM 425 CG ASP A 30 17.095 -15.209 -14.090 1.00 0.00 C ATOM 426 OD1 ASP A 30 18.163 -15.454 -13.493 1.00 0.00 O ATOM 427 OD2 ASP A 30 16.463 -16.065 -14.744 1.00 0.00 O ATOM 0 H ASP A 30 16.284 -13.687 -11.554 1.00 0.00 H new ATOM 0 HA ASP A 30 18.442 -13.087 -13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.521 -13.835 -13.624 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.475 -13.386 -15.024 1.00 0.00 H new ATOM 432 N LEU A 31 15.916 -10.953 -13.154 1.00 0.00 N ATOM 433 CA LEU A 31 15.525 -9.576 -13.437 1.00 0.00 C ATOM 434 C LEU A 31 16.542 -8.593 -12.866 1.00 0.00 C ATOM 435 O LEU A 31 17.043 -7.722 -13.576 1.00 0.00 O ATOM 436 CB LEU A 31 14.139 -9.289 -12.856 1.00 0.00 C ATOM 437 CG LEU A 31 12.950 -9.672 -13.737 1.00 0.00 C ATOM 438 CD1 LEU A 31 12.886 -8.779 -14.966 1.00 0.00 C ATOM 439 CD2 LEU A 31 13.036 -11.136 -14.143 1.00 0.00 C ATOM 0 H LEU A 31 15.202 -11.505 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 31 15.492 -9.449 -14.519 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.048 -9.818 -11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.073 -8.224 -12.635 1.00 0.00 H new ATOM 0 HG LEU A 31 12.036 -9.529 -13.161 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.033 -9.067 -15.581 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.775 -7.740 -14.655 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.804 -8.889 -15.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.181 -11.391 -14.770 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.958 -11.306 -14.700 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.031 -11.762 -13.251 1.00 0.00 H new ATOM 451 N GLU A 32 16.843 -8.741 -11.579 1.00 0.00 N ATOM 452 CA GLU A 32 17.802 -7.867 -10.914 1.00 0.00 C ATOM 453 C GLU A 32 19.151 -7.897 -11.626 1.00 0.00 C ATOM 454 O GLU A 32 19.913 -6.932 -11.574 1.00 0.00 O ATOM 455 CB GLU A 32 17.975 -8.282 -9.452 1.00 0.00 C ATOM 456 CG GLU A 32 18.635 -9.639 -9.278 1.00 0.00 C ATOM 457 CD GLU A 32 19.009 -9.927 -7.837 1.00 0.00 C ATOM 458 OE1 GLU A 32 18.334 -9.392 -6.932 1.00 0.00 O ATOM 459 OE2 GLU A 32 19.975 -10.685 -7.614 1.00 0.00 O ATOM 0 H GLU A 32 16.437 -9.457 -10.977 1.00 0.00 H new ATOM 0 HA GLU A 32 17.414 -6.849 -10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 32 18.572 -7.529 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.998 -8.298 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.959 -10.416 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.530 -9.685 -9.898 1.00 0.00 H new ATOM 466 N GLN A 33 19.438 -9.012 -12.290 1.00 0.00 N ATOM 467 CA GLN A 33 20.696 -9.169 -13.011 1.00 0.00 C ATOM 468 C GLN A 33 20.772 -8.203 -14.189 1.00 0.00 C ATOM 469 O GLN A 33 21.854 -7.752 -14.566 1.00 0.00 O ATOM 470 CB GLN A 33 20.848 -10.608 -13.506 1.00 0.00 C ATOM 471 CG GLN A 33 22.293 -11.076 -13.580 1.00 0.00 C ATOM 472 CD GLN A 33 22.895 -11.329 -12.212 1.00 0.00 C ATOM 473 OE1 GLN A 33 22.220 -11.200 -11.191 1.00 0.00 O ATOM 474 NE2 GLN A 33 24.172 -11.692 -12.185 1.00 0.00 N ATOM 0 H GLN A 33 18.817 -9.819 -12.344 1.00 0.00 H new ATOM 0 HA GLN A 33 21.511 -8.941 -12.324 1.00 0.00 H new ATOM 0 HB2 GLN A 33 20.293 -11.272 -12.843 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.396 -10.693 -14.494 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.345 -11.991 -14.170 1.00 0.00 H new ATOM 0 HG3 GLN A 33 22.888 -10.326 -14.101 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.694 -11.787 -13.056 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.631 -11.876 -11.293 1.00 0.00 H new ATOM 483 N LEU A 34 19.617 -7.889 -14.766 1.00 0.00 N ATOM 484 CA LEU A 34 19.553 -6.976 -15.901 1.00 0.00 C ATOM 485 C LEU A 34 19.854 -5.545 -15.467 1.00 0.00 C ATOM 486 O LEU A 34 19.925 -5.250 -14.274 1.00 0.00 O ATOM 487 CB LEU A 34 18.172 -7.043 -16.557 1.00 0.00 C ATOM 488 CG LEU A 34 17.733 -8.419 -17.059 1.00 0.00 C ATOM 489 CD1 LEU A 34 16.221 -8.473 -17.215 1.00 0.00 C ATOM 490 CD2 LEU A 34 18.420 -8.750 -18.376 1.00 0.00 C ATOM 0 H LEU A 34 18.713 -8.253 -14.466 1.00 0.00 H new ATOM 0 HA LEU A 34 20.308 -7.282 -16.625 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.433 -6.688 -15.839 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.158 -6.350 -17.398 1.00 0.00 H new ATOM 0 HG LEU A 34 18.028 -9.165 -16.321 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.927 -9.460 -17.573 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.749 -8.281 -16.252 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.902 -7.717 -17.932 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.096 -9.733 -18.719 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.156 -8.001 -19.122 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.500 -8.754 -18.232 1.00 0.00 H new ATOM 502 N ARG A 35 20.027 -4.660 -16.444 1.00 0.00 N ATOM 503 CA ARG A 35 20.319 -3.259 -16.163 1.00 0.00 C ATOM 504 C ARG A 35 19.166 -2.605 -15.408 1.00 0.00 C ATOM 505 O ARG A 35 18.002 -2.748 -15.783 1.00 0.00 O ATOM 506 CB ARG A 35 20.586 -2.501 -17.464 1.00 0.00 C ATOM 507 CG ARG A 35 21.000 -1.054 -17.252 1.00 0.00 C ATOM 508 CD ARG A 35 21.895 -0.560 -18.377 1.00 0.00 C ATOM 509 NE ARG A 35 22.650 0.630 -17.994 1.00 0.00 N ATOM 510 CZ ARG A 35 22.124 1.849 -17.940 1.00 0.00 C ATOM 511 NH1 ARG A 35 20.847 2.037 -18.243 1.00 0.00 N ATOM 512 NH2 ARG A 35 22.875 2.882 -17.582 1.00 0.00 N ATOM 0 H ARG A 35 19.970 -4.888 -17.436 1.00 0.00 H new ATOM 0 HA ARG A 35 21.211 -3.218 -15.537 1.00 0.00 H new ATOM 0 HB2 ARG A 35 21.369 -3.016 -18.021 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.687 -2.526 -18.080 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.112 -0.426 -17.190 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.524 -0.960 -16.301 1.00 0.00 H new ATOM 0 HD2 ARG A 35 22.587 -1.352 -18.664 1.00 0.00 H new ATOM 0 HD3 ARG A 35 21.286 -0.336 -19.253 1.00 0.00 H new ATOM 0 HE ARG A 35 23.635 0.519 -17.755 1.00 0.00 H new ATOM 0 HH11 ARG A 35 20.266 1.245 -18.518 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.445 2.974 -18.201 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.858 2.741 -17.348 1.00 0.00 H new ATOM 0 HH22 ARG A 35 22.470 3.817 -17.541 1.00 0.00 H new ATOM 526 N LYS A 36 19.497 -1.886 -14.340 1.00 0.00 N ATOM 527 CA LYS A 36 18.491 -1.208 -13.531 1.00 0.00 C ATOM 528 C LYS A 36 18.366 0.257 -13.934 1.00 0.00 C ATOM 529 O LYS A 36 19.255 1.064 -13.660 1.00 0.00 O ATOM 530 CB LYS A 36 18.846 -1.312 -12.046 1.00 0.00 C ATOM 531 CG LYS A 36 18.358 -2.592 -11.392 1.00 0.00 C ATOM 532 CD LYS A 36 18.655 -2.606 -9.902 1.00 0.00 C ATOM 533 CE LYS A 36 19.193 -3.956 -9.453 1.00 0.00 C ATOM 534 NZ LYS A 36 19.026 -4.160 -7.987 1.00 0.00 N ATOM 0 H LYS A 36 20.455 -1.758 -14.015 1.00 0.00 H new ATOM 0 HA LYS A 36 17.532 -1.697 -13.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.928 -1.247 -11.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.419 -0.459 -11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.285 -2.696 -11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.835 -3.449 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.381 -1.828 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.747 -2.372 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.676 -4.750 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.249 -4.030 -9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.405 -5.091 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.540 -3.417 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.016 -4.114 -7.743 1.00 0.00 H new ATOM 782 N VAL A 51 12.863 -0.091 -13.641 1.00 0.00 N ATOM 783 CA VAL A 51 12.270 -0.583 -14.879 1.00 0.00 C ATOM 784 C VAL A 51 13.310 -1.287 -15.743 1.00 0.00 C ATOM 785 O VAL A 51 14.488 -0.931 -15.730 1.00 0.00 O ATOM 786 CB VAL A 51 11.634 0.561 -15.690 1.00 0.00 C ATOM 787 CG1 VAL A 51 10.352 1.039 -15.024 1.00 0.00 C ATOM 788 CG2 VAL A 51 12.619 1.708 -15.856 1.00 0.00 C ATOM 0 HA VAL A 51 11.493 -1.294 -14.598 1.00 0.00 H new ATOM 0 HB VAL A 51 11.381 0.184 -16.681 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.917 1.848 -15.611 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.644 0.213 -14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.576 1.400 -14.020 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.153 2.508 -16.432 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.905 2.087 -14.875 1.00 0.00 H new ATOM 0 HG23 VAL A 51 13.506 1.353 -16.381 1.00 0.00 H new ATOM 798 N TYR A 52 12.866 -2.289 -16.495 1.00 0.00 N ATOM 799 CA TYR A 52 13.758 -3.045 -17.365 1.00 0.00 C ATOM 800 C TYR A 52 13.408 -2.819 -18.833 1.00 0.00 C ATOM 801 O TYR A 52 12.316 -2.351 -19.158 1.00 0.00 O ATOM 802 CB TYR A 52 13.682 -4.537 -17.035 1.00 0.00 C ATOM 803 CG TYR A 52 13.889 -4.844 -15.569 1.00 0.00 C ATOM 804 CD1 TYR A 52 15.058 -4.472 -14.919 1.00 0.00 C ATOM 805 CD2 TYR A 52 12.912 -5.505 -14.834 1.00 0.00 C ATOM 806 CE1 TYR A 52 15.251 -4.752 -13.579 1.00 0.00 C ATOM 807 CE2 TYR A 52 13.095 -5.788 -13.494 1.00 0.00 C ATOM 808 CZ TYR A 52 14.267 -5.409 -12.872 1.00 0.00 C ATOM 809 OH TYR A 52 14.454 -5.688 -11.537 1.00 0.00 O ATOM 0 H TYR A 52 11.894 -2.596 -16.519 1.00 0.00 H new ATOM 0 HA TYR A 52 14.775 -2.693 -17.194 1.00 0.00 H new ATOM 0 HB2 TYR A 52 12.709 -4.920 -17.344 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.434 -5.068 -17.619 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.830 -3.955 -15.470 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.994 -5.803 -15.319 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.167 -4.458 -13.089 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.326 -6.302 -12.937 1.00 0.00 H new ATOM 0 HH TYR A 52 13.666 -6.154 -11.187 1.00 0.00 H new ATOM 819 N LEU A 53 14.343 -3.155 -19.715 1.00 0.00 N ATOM 820 CA LEU A 53 14.135 -2.990 -21.149 1.00 0.00 C ATOM 821 C LEU A 53 13.453 -4.218 -21.745 1.00 0.00 C ATOM 822 O LEU A 53 13.882 -5.349 -21.520 1.00 0.00 O ATOM 823 CB LEU A 53 15.471 -2.743 -21.853 1.00 0.00 C ATOM 824 CG LEU A 53 15.760 -1.297 -22.255 1.00 0.00 C ATOM 825 CD1 LEU A 53 14.726 -0.803 -23.254 1.00 0.00 C ATOM 826 CD2 LEU A 53 15.790 -0.398 -21.027 1.00 0.00 C ATOM 0 H LEU A 53 15.252 -3.543 -19.462 1.00 0.00 H new ATOM 0 HA LEU A 53 13.486 -2.127 -21.300 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.273 -3.084 -21.198 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.507 -3.362 -22.749 1.00 0.00 H new ATOM 0 HG LEU A 53 16.740 -1.262 -22.731 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.949 0.228 -23.528 1.00 0.00 H new ATOM 0 HD12 LEU A 53 14.753 -1.429 -24.146 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.734 -0.853 -22.806 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.997 0.628 -21.332 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.825 -0.439 -20.523 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.570 -0.738 -20.346 1.00 0.00 H new ATOM 838 N ARG A 54 12.390 -3.985 -22.508 1.00 0.00 N ATOM 839 CA ARG A 54 11.649 -5.071 -23.138 1.00 0.00 C ATOM 840 C ARG A 54 12.582 -5.970 -23.944 1.00 0.00 C ATOM 841 O ARG A 54 12.427 -7.191 -23.955 1.00 0.00 O ATOM 842 CB ARG A 54 10.553 -4.511 -24.046 1.00 0.00 C ATOM 843 CG ARG A 54 9.614 -5.572 -24.594 1.00 0.00 C ATOM 844 CD ARG A 54 8.312 -4.963 -25.089 1.00 0.00 C ATOM 845 NE ARG A 54 8.191 -5.034 -26.543 1.00 0.00 N ATOM 846 CZ ARG A 54 7.075 -4.747 -27.203 1.00 0.00 C ATOM 847 NH1 ARG A 54 5.988 -4.371 -26.543 1.00 0.00 N ATOM 848 NH2 ARG A 54 7.044 -4.835 -28.527 1.00 0.00 N ATOM 0 H ARG A 54 12.023 -3.054 -22.705 1.00 0.00 H new ATOM 0 HA ARG A 54 11.189 -5.667 -22.350 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.972 -3.776 -23.489 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.018 -3.984 -24.879 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.102 -6.104 -25.411 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.401 -6.307 -23.818 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.471 -5.483 -24.630 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.255 -3.922 -24.771 1.00 0.00 H new ATOM 0 HE ARG A 54 9.009 -5.320 -27.081 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.008 -4.302 -25.526 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.132 -4.151 -27.053 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.878 -5.123 -29.039 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.186 -4.614 -29.033 1.00 0.00 H new ATOM 862 N SER A 55 13.550 -5.357 -24.618 1.00 0.00 N ATOM 863 CA SER A 55 14.505 -6.101 -25.430 1.00 0.00 C ATOM 864 C SER A 55 15.422 -6.947 -24.552 1.00 0.00 C ATOM 865 O SER A 55 15.855 -8.029 -24.949 1.00 0.00 O ATOM 866 CB SER A 55 15.338 -5.142 -26.282 1.00 0.00 C ATOM 867 OG SER A 55 16.011 -5.834 -27.320 1.00 0.00 O ATOM 0 H SER A 55 13.693 -4.347 -24.618 1.00 0.00 H new ATOM 0 HA SER A 55 13.945 -6.766 -26.087 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.691 -4.377 -26.711 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.065 -4.629 -25.652 1.00 0.00 H new ATOM 0 HG SER A 55 16.535 -5.198 -27.851 1.00 0.00 H new ATOM 873 N ASP A 56 15.714 -6.445 -23.357 1.00 0.00 N ATOM 874 CA ASP A 56 16.579 -7.154 -22.421 1.00 0.00 C ATOM 875 C ASP A 56 15.846 -8.333 -21.790 1.00 0.00 C ATOM 876 O ASP A 56 16.346 -9.458 -21.786 1.00 0.00 O ATOM 877 CB ASP A 56 17.074 -6.202 -21.331 1.00 0.00 C ATOM 878 CG ASP A 56 18.523 -5.800 -21.527 1.00 0.00 C ATOM 879 OD1 ASP A 56 18.782 -4.894 -22.346 1.00 0.00 O ATOM 880 OD2 ASP A 56 19.397 -6.392 -20.860 1.00 0.00 O ATOM 0 H ASP A 56 15.365 -5.550 -23.014 1.00 0.00 H new ATOM 0 HA ASP A 56 17.436 -7.537 -22.975 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.450 -5.308 -21.323 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.961 -6.679 -20.357 1.00 0.00 H new ATOM 885 N VAL A 57 14.658 -8.068 -21.255 1.00 0.00 N ATOM 886 CA VAL A 57 13.856 -9.107 -20.621 1.00 0.00 C ATOM 887 C VAL A 57 13.536 -10.230 -21.601 1.00 0.00 C ATOM 888 O VAL A 57 13.448 -11.395 -21.217 1.00 0.00 O ATOM 889 CB VAL A 57 12.538 -8.536 -20.063 1.00 0.00 C ATOM 890 CG1 VAL A 57 11.738 -9.625 -19.366 1.00 0.00 C ATOM 891 CG2 VAL A 57 12.817 -7.379 -19.117 1.00 0.00 C ATOM 0 H VAL A 57 14.230 -7.142 -21.248 1.00 0.00 H new ATOM 0 HA VAL A 57 14.449 -9.506 -19.798 1.00 0.00 H new ATOM 0 HB VAL A 57 11.944 -8.159 -20.895 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.811 -9.204 -18.978 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.507 -10.418 -20.077 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.322 -10.035 -18.542 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.875 -6.988 -18.733 1.00 0.00 H new ATOM 0 HG22 VAL A 57 13.431 -7.728 -18.287 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.345 -6.590 -19.653 1.00 0.00 H new ATOM 901 N GLU A 58 13.364 -9.870 -22.869 1.00 0.00 N ATOM 902 CA GLU A 58 13.053 -10.848 -23.905 1.00 0.00 C ATOM 903 C GLU A 58 14.142 -11.914 -23.991 1.00 0.00 C ATOM 904 O GLU A 58 13.863 -13.109 -23.908 1.00 0.00 O ATOM 905 CB GLU A 58 12.894 -10.156 -25.261 1.00 0.00 C ATOM 906 CG GLU A 58 12.367 -11.071 -26.353 1.00 0.00 C ATOM 907 CD GLU A 58 12.243 -10.369 -27.692 1.00 0.00 C ATOM 908 OE1 GLU A 58 11.227 -9.674 -27.904 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.160 -10.515 -28.526 1.00 0.00 O ATOM 0 H GLU A 58 13.435 -8.909 -23.203 1.00 0.00 H new ATOM 0 HA GLU A 58 12.113 -11.333 -23.640 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.217 -9.309 -25.150 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.859 -9.754 -25.570 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.032 -11.928 -26.456 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.392 -11.458 -26.058 1.00 0.00 H new ATOM 916 N ALA A 59 15.384 -11.471 -24.158 1.00 0.00 N ATOM 917 CA ALA A 59 16.515 -12.385 -24.253 1.00 0.00 C ATOM 918 C ALA A 59 16.661 -13.213 -22.981 1.00 0.00 C ATOM 919 O ALA A 59 17.020 -14.389 -23.030 1.00 0.00 O ATOM 920 CB ALA A 59 17.796 -11.613 -24.532 1.00 0.00 C ATOM 0 H ALA A 59 15.632 -10.484 -24.230 1.00 0.00 H new ATOM 0 HA ALA A 59 16.328 -13.069 -25.081 1.00 0.00 H new ATOM 0 HB1 ALA A 59 18.632 -12.309 -24.600 1.00 0.00 H new ATOM 0 HB2 ALA A 59 17.697 -11.071 -25.473 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.978 -10.905 -23.723 1.00 0.00 H new ATOM 926 N LYS A 60 16.380 -12.591 -21.841 1.00 0.00 N ATOM 927 CA LYS A 60 16.479 -13.269 -20.554 1.00 0.00 C ATOM 928 C LYS A 60 15.569 -14.492 -20.512 1.00 0.00 C ATOM 929 O LYS A 60 15.830 -15.448 -19.782 1.00 0.00 O ATOM 930 CB LYS A 60 16.114 -12.310 -19.419 1.00 0.00 C ATOM 931 CG LYS A 60 16.221 -12.933 -18.038 1.00 0.00 C ATOM 932 CD LYS A 60 17.629 -13.432 -17.759 1.00 0.00 C ATOM 933 CE LYS A 60 18.628 -12.286 -17.715 1.00 0.00 C ATOM 934 NZ LYS A 60 19.856 -12.649 -16.954 1.00 0.00 N ATOM 0 H LYS A 60 16.082 -11.617 -21.782 1.00 0.00 H new ATOM 0 HA LYS A 60 17.510 -13.600 -20.425 1.00 0.00 H new ATOM 0 HB2 LYS A 60 16.767 -11.439 -19.467 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.095 -11.953 -19.570 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.938 -12.199 -17.284 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.517 -13.761 -17.956 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.645 -13.967 -16.809 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.924 -14.143 -18.530 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.901 -12.003 -18.732 1.00 0.00 H new ATOM 0 HE3 LYS A 60 18.161 -11.414 -17.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.512 -11.842 -16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 19.599 -12.894 -15.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 20.316 -13.465 -17.406 1.00 0.00 H new ATOM 948 N SER A 61 14.499 -14.456 -21.301 1.00 0.00 N ATOM 949 CA SER A 61 13.549 -15.560 -21.352 1.00 0.00 C ATOM 950 C SER A 61 14.044 -16.660 -22.287 1.00 0.00 C ATOM 951 O SER A 61 13.692 -17.830 -22.130 1.00 0.00 O ATOM 952 CB SER A 61 12.179 -15.061 -21.814 1.00 0.00 C ATOM 953 OG SER A 61 11.955 -15.373 -23.178 1.00 0.00 O ATOM 0 H SER A 61 14.269 -13.673 -21.914 1.00 0.00 H new ATOM 0 HA SER A 61 13.457 -15.974 -20.348 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.399 -15.513 -21.202 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.114 -13.983 -21.669 1.00 0.00 H new ATOM 0 HG SER A 61 12.476 -14.764 -23.743 1.00 0.00 H new ATOM 959 N LEU A 62 14.862 -16.276 -23.260 1.00 0.00 N ATOM 960 CA LEU A 62 15.407 -17.228 -24.222 1.00 0.00 C ATOM 961 C LEU A 62 16.649 -17.916 -23.664 1.00 0.00 C ATOM 962 O LEU A 62 16.907 -19.083 -23.956 1.00 0.00 O ATOM 963 CB LEU A 62 15.749 -16.519 -25.534 1.00 0.00 C ATOM 964 CG LEU A 62 14.683 -15.569 -26.081 1.00 0.00 C ATOM 965 CD1 LEU A 62 15.101 -15.022 -27.437 1.00 0.00 C ATOM 966 CD2 LEU A 62 13.339 -16.276 -26.180 1.00 0.00 C ATOM 0 H LEU A 62 15.163 -15.312 -23.404 1.00 0.00 H new ATOM 0 HA LEU A 62 14.649 -17.987 -24.413 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.670 -15.955 -25.389 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.955 -17.277 -26.290 1.00 0.00 H new ATOM 0 HG LEU A 62 14.581 -14.732 -25.390 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.330 -14.348 -27.811 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.041 -14.479 -27.336 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.232 -15.847 -28.137 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.592 -15.585 -26.571 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.427 -17.132 -26.849 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.034 -16.618 -25.191 1.00 0.00 H new ATOM 978 N GLU A 63 17.412 -17.184 -22.858 1.00 0.00 N ATOM 979 CA GLU A 63 18.626 -17.725 -22.258 1.00 0.00 C ATOM 980 C GLU A 63 18.289 -18.703 -21.136 1.00 0.00 C ATOM 981 O GLU A 63 19.078 -19.592 -20.814 1.00 0.00 O ATOM 982 CB GLU A 63 19.503 -16.593 -21.717 1.00 0.00 C ATOM 983 CG GLU A 63 18.969 -15.967 -20.440 1.00 0.00 C ATOM 984 CD GLU A 63 19.708 -16.441 -19.204 1.00 0.00 C ATOM 985 OE1 GLU A 63 19.562 -17.627 -18.843 1.00 0.00 O ATOM 986 OE2 GLU A 63 20.434 -15.625 -18.599 1.00 0.00 O ATOM 0 H GLU A 63 17.211 -16.216 -22.606 1.00 0.00 H new ATOM 0 HA GLU A 63 19.175 -18.262 -23.032 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.505 -16.978 -21.531 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.595 -15.820 -22.480 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.047 -14.882 -20.512 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.910 -16.204 -20.339 1.00 0.00 H new ATOM 993 N VAL A 64 17.112 -18.531 -20.543 1.00 0.00 N ATOM 994 CA VAL A 64 16.669 -19.398 -19.457 1.00 0.00 C ATOM 995 C VAL A 64 15.870 -20.581 -19.989 1.00 0.00 C ATOM 996 O VAL A 64 16.354 -21.713 -20.006 1.00 0.00 O ATOM 997 CB VAL A 64 15.808 -18.626 -18.439 1.00 0.00 C ATOM 998 CG1 VAL A 64 15.310 -19.559 -17.346 1.00 0.00 C ATOM 999 CG2 VAL A 64 16.594 -17.467 -17.846 1.00 0.00 C ATOM 0 H VAL A 64 16.448 -17.799 -20.796 1.00 0.00 H new ATOM 0 HA VAL A 64 17.566 -19.765 -18.959 1.00 0.00 H new ATOM 0 HB VAL A 64 14.941 -18.218 -18.958 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.704 -18.997 -16.636 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.707 -20.351 -17.790 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.162 -19.999 -16.827 1.00 0.00 H new ATOM 0 HG21 VAL A 64 15.970 -16.933 -17.129 1.00 0.00 H new ATOM 0 HG22 VAL A 64 17.481 -17.850 -17.341 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.895 -16.786 -18.642 1.00 0.00 H new ATOM 1009 N TRP A 65 14.644 -20.312 -20.424 1.00 0.00 N ATOM 1010 CA TRP A 65 13.776 -21.356 -20.958 1.00 0.00 C ATOM 1011 C TRP A 65 14.408 -22.018 -22.178 1.00 0.00 C ATOM 1012 O TRP A 65 14.118 -23.172 -22.490 1.00 0.00 O ATOM 1013 CB TRP A 65 12.411 -20.773 -21.328 1.00 0.00 C ATOM 1014 CG TRP A 65 11.490 -20.627 -20.155 1.00 0.00 C ATOM 1015 CD1 TRP A 65 11.275 -19.497 -19.418 1.00 0.00 C ATOM 1016 CD2 TRP A 65 10.662 -21.645 -19.583 1.00 0.00 C ATOM 1017 NE1 TRP A 65 10.363 -19.753 -18.423 1.00 0.00 N ATOM 1018 CE2 TRP A 65 9.971 -21.063 -18.503 1.00 0.00 C ATOM 1019 CE3 TRP A 65 10.436 -22.992 -19.880 1.00 0.00 C ATOM 1020 CZ2 TRP A 65 9.072 -21.782 -17.720 1.00 0.00 C ATOM 1021 CZ3 TRP A 65 9.543 -23.704 -19.102 1.00 0.00 C ATOM 1022 CH2 TRP A 65 8.869 -23.098 -18.033 1.00 0.00 C ATOM 0 H TRP A 65 14.229 -19.380 -20.418 1.00 0.00 H new ATOM 0 HA TRP A 65 13.642 -22.113 -20.186 1.00 0.00 H new ATOM 0 HB2 TRP A 65 12.554 -19.797 -21.792 1.00 0.00 H new ATOM 0 HB3 TRP A 65 11.940 -21.414 -22.073 1.00 0.00 H new ATOM 0 HD1 TRP A 65 11.751 -18.544 -19.592 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.031 -19.077 -17.735 1.00 0.00 H new ATOM 0 HE3 TRP A 65 10.950 -23.468 -20.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 8.553 -21.317 -16.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.361 -24.746 -19.322 1.00 0.00 H new ATOM 0 HH2 TRP A 65 8.176 -23.681 -17.445 1.00 0.00 H new ATOM 1033 N GLY A 66 15.275 -21.279 -22.864 1.00 0.00 N ATOM 1034 CA GLY A 66 15.934 -21.812 -24.042 1.00 0.00 C ATOM 1035 C GLY A 66 15.404 -21.206 -25.327 1.00 0.00 C ATOM 1036 O GLY A 66 16.171 -20.897 -26.238 1.00 0.00 O ATOM 0 H GLY A 66 15.532 -20.321 -22.625 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.006 -21.625 -23.971 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.800 -22.893 -24.072 1.00 0.00 H new ATOM 1040 N SER A 67 14.088 -21.038 -25.401 1.00 0.00 N ATOM 1041 CA SER A 67 13.455 -20.471 -26.586 1.00 0.00 C ATOM 1042 C SER A 67 12.159 -19.753 -26.219 1.00 0.00 C ATOM 1043 O SER A 67 11.572 -19.980 -25.161 1.00 0.00 O ATOM 1044 CB SER A 67 13.170 -21.568 -27.613 1.00 0.00 C ATOM 1045 OG SER A 67 13.801 -22.784 -27.248 1.00 0.00 O ATOM 0 H SER A 67 13.439 -21.286 -24.654 1.00 0.00 H new ATOM 0 HA SER A 67 14.142 -19.745 -27.022 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.094 -21.723 -27.695 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.522 -21.252 -28.595 1.00 0.00 H new ATOM 0 HG SER A 67 13.603 -23.470 -27.919 1.00 0.00 H new ATOM 1051 N PRO A 68 11.702 -18.865 -27.115 1.00 0.00 N ATOM 1052 CA PRO A 68 10.471 -18.096 -26.909 1.00 0.00 C ATOM 1053 C PRO A 68 9.222 -18.968 -26.989 1.00 0.00 C ATOM 1054 O PRO A 68 8.156 -18.586 -26.508 1.00 0.00 O ATOM 1055 CB PRO A 68 10.490 -17.083 -28.056 1.00 0.00 C ATOM 1056 CG PRO A 68 11.314 -17.727 -29.117 1.00 0.00 C ATOM 1057 CD PRO A 68 12.350 -18.545 -28.397 1.00 0.00 C ATOM 0 HA PRO A 68 10.436 -17.640 -25.920 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.482 -16.870 -28.412 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.924 -16.134 -27.739 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.699 -18.355 -29.761 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.783 -16.978 -29.756 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.608 -19.446 -28.953 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.274 -17.985 -28.251 1.00 0.00 H new ATOM 1065 N GLU A 69 9.363 -20.141 -27.599 1.00 0.00 N ATOM 1066 CA GLU A 69 8.245 -21.066 -27.742 1.00 0.00 C ATOM 1067 C GLU A 69 7.909 -21.723 -26.406 1.00 0.00 C ATOM 1068 O GLU A 69 6.740 -21.936 -26.084 1.00 0.00 O ATOM 1069 CB GLU A 69 8.571 -22.139 -28.782 1.00 0.00 C ATOM 1070 CG GLU A 69 7.639 -22.128 -29.982 1.00 0.00 C ATOM 1071 CD GLU A 69 8.150 -22.981 -31.127 1.00 0.00 C ATOM 1072 OE1 GLU A 69 9.222 -22.654 -31.677 1.00 0.00 O ATOM 1073 OE2 GLU A 69 7.478 -23.975 -31.472 1.00 0.00 O ATOM 0 H GLU A 69 10.240 -20.473 -28.002 1.00 0.00 H new ATOM 0 HA GLU A 69 7.377 -20.498 -28.077 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.595 -21.999 -29.127 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.526 -23.119 -28.307 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.656 -22.487 -29.677 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.510 -21.102 -30.328 1.00 0.00 H new ATOM 1080 N ALA A 70 8.942 -22.041 -25.633 1.00 0.00 N ATOM 1081 CA ALA A 70 8.757 -22.672 -24.332 1.00 0.00 C ATOM 1082 C ALA A 70 7.888 -21.810 -23.423 1.00 0.00 C ATOM 1083 O ALA A 70 7.049 -22.323 -22.680 1.00 0.00 O ATOM 1084 CB ALA A 70 10.105 -22.939 -23.679 1.00 0.00 C ATOM 0 H ALA A 70 9.916 -21.872 -25.885 1.00 0.00 H new ATOM 0 HA ALA A 70 8.245 -23.622 -24.486 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.952 -23.410 -22.708 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.693 -23.601 -24.315 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.637 -21.997 -23.545 1.00 0.00 H new ATOM 1090 N LEU A 71 8.093 -20.499 -23.485 1.00 0.00 N ATOM 1091 CA LEU A 71 7.327 -19.565 -22.666 1.00 0.00 C ATOM 1092 C LEU A 71 5.939 -19.336 -23.255 1.00 0.00 C ATOM 1093 O LEU A 71 4.954 -19.233 -22.525 1.00 0.00 O ATOM 1094 CB LEU A 71 8.070 -18.233 -22.547 1.00 0.00 C ATOM 1095 CG LEU A 71 7.290 -17.084 -21.908 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.010 -17.378 -20.443 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.051 -15.775 -22.056 1.00 0.00 C ATOM 0 H LEU A 71 8.783 -20.058 -24.094 1.00 0.00 H new ATOM 0 HA LEU A 71 7.212 -20.000 -21.673 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.978 -18.397 -21.966 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.382 -17.923 -23.545 1.00 0.00 H new ATOM 0 HG LEU A 71 6.336 -16.986 -22.426 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.454 -16.549 -20.005 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.422 -18.292 -20.361 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.953 -17.504 -19.911 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.481 -14.968 -21.595 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.020 -15.860 -21.565 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.198 -15.557 -23.114 1.00 0.00 H new ATOM 1109 N ALA A 72 5.870 -19.258 -24.580 1.00 0.00 N ATOM 1110 CA ALA A 72 4.602 -19.046 -25.267 1.00 0.00 C ATOM 1111 C ALA A 72 3.574 -20.096 -24.861 1.00 0.00 C ATOM 1112 O ALA A 72 2.370 -19.841 -24.882 1.00 0.00 O ATOM 1113 CB ALA A 72 4.809 -19.062 -26.774 1.00 0.00 C ATOM 0 H ALA A 72 6.677 -19.338 -25.199 1.00 0.00 H new ATOM 0 HA ALA A 72 4.218 -18.069 -24.974 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.854 -18.903 -27.274 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.502 -18.269 -27.054 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.219 -20.026 -27.075 1.00 0.00 H new ATOM 1119 N ARG A 73 4.057 -21.278 -24.492 1.00 0.00 N ATOM 1120 CA ARG A 73 3.179 -22.368 -24.083 1.00 0.00 C ATOM 1121 C ARG A 73 2.338 -21.965 -22.876 1.00 0.00 C ATOM 1122 O ARG A 73 1.176 -22.354 -22.760 1.00 0.00 O ATOM 1123 CB ARG A 73 4.001 -23.616 -23.752 1.00 0.00 C ATOM 1124 CG ARG A 73 4.908 -24.066 -24.884 1.00 0.00 C ATOM 1125 CD ARG A 73 4.461 -25.401 -25.459 1.00 0.00 C ATOM 1126 NE ARG A 73 4.757 -25.510 -26.885 1.00 0.00 N ATOM 1127 CZ ARG A 73 4.054 -24.897 -27.831 1.00 0.00 C ATOM 1128 NH1 ARG A 73 3.019 -24.135 -27.503 1.00 0.00 N ATOM 1129 NH2 ARG A 73 4.385 -25.045 -29.107 1.00 0.00 N ATOM 0 H ARG A 73 5.051 -21.505 -24.468 1.00 0.00 H new ATOM 0 HA ARG A 73 2.508 -22.592 -24.913 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.608 -23.417 -22.869 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.323 -24.430 -23.496 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.911 -23.312 -25.671 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.932 -24.150 -24.520 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.957 -26.211 -24.923 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.389 -25.523 -25.301 1.00 0.00 H new ATOM 0 HE ARG A 73 5.547 -26.089 -27.170 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.762 -24.019 -26.523 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.481 -23.665 -28.231 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.180 -25.630 -29.363 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.844 -24.574 -29.832 1.00 0.00 H new ATOM 1143 N GLU A 74 2.933 -21.183 -21.980 1.00 0.00 N ATOM 1144 CA GLU A 74 2.238 -20.729 -20.782 1.00 0.00 C ATOM 1145 C GLU A 74 1.455 -19.448 -21.059 1.00 0.00 C ATOM 1146 O GLU A 74 0.399 -19.212 -20.472 1.00 0.00 O ATOM 1147 CB GLU A 74 3.235 -20.494 -19.645 1.00 0.00 C ATOM 1148 CG GLU A 74 3.476 -21.723 -18.784 1.00 0.00 C ATOM 1149 CD GLU A 74 2.976 -21.548 -17.364 1.00 0.00 C ATOM 1150 OE1 GLU A 74 3.380 -20.564 -16.709 1.00 0.00 O ATOM 1151 OE2 GLU A 74 2.181 -22.395 -16.907 1.00 0.00 O ATOM 0 H GLU A 74 3.894 -20.851 -22.062 1.00 0.00 H new ATOM 0 HA GLU A 74 1.535 -21.507 -20.485 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.184 -20.165 -20.068 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.869 -19.684 -19.014 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.980 -22.582 -19.236 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.543 -21.945 -18.765 1.00 0.00 H new ATOM 1158 N LYS A 75 1.982 -18.623 -21.958 1.00 0.00 N ATOM 1159 CA LYS A 75 1.335 -17.366 -22.316 1.00 0.00 C ATOM 1160 C LYS A 75 -0.019 -17.619 -22.972 1.00 0.00 C ATOM 1161 O LYS A 75 -0.984 -16.894 -22.729 1.00 0.00 O ATOM 1162 CB LYS A 75 2.229 -16.559 -23.259 1.00 0.00 C ATOM 1163 CG LYS A 75 3.614 -16.286 -22.700 1.00 0.00 C ATOM 1164 CD LYS A 75 3.876 -14.796 -22.560 1.00 0.00 C ATOM 1165 CE LYS A 75 3.317 -14.252 -21.254 1.00 0.00 C ATOM 1166 NZ LYS A 75 1.997 -13.591 -21.449 1.00 0.00 N ATOM 0 H LYS A 75 2.856 -18.803 -22.452 1.00 0.00 H new ATOM 0 HA LYS A 75 1.174 -16.795 -21.402 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.327 -17.097 -24.202 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.743 -15.609 -23.482 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.716 -16.767 -21.727 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.365 -16.728 -23.355 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.949 -14.608 -22.604 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.425 -14.266 -23.399 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.213 -15.066 -20.536 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.021 -13.538 -20.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.042 -12.615 -21.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.760 -13.580 -22.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.266 -14.116 -20.928 1.00 0.00 H new