USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 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 17 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 110:sc= -2.35! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 167:sc= -1.7 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= 1.28 (180deg=0.774) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0739 X(o=-0.074,f=-0.038) USER MOD Single : A 55 ASN : amide:sc=-0.000789 K(o=-0.00079,f=-0.97) USER MOD Single : A 62 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc=-0.000845 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 180 N PHE A 15 4.340 -19.787 -17.143 1.00 0.00 N ATOM 181 CA PHE A 15 5.405 -20.780 -17.060 1.00 0.00 C ATOM 182 C PHE A 15 5.460 -21.626 -18.329 1.00 0.00 C ATOM 183 O PHE A 15 4.437 -21.877 -18.965 1.00 0.00 O ATOM 184 CB PHE A 15 5.197 -21.682 -15.841 1.00 0.00 C ATOM 185 CG PHE A 15 5.853 -21.165 -14.594 1.00 0.00 C ATOM 186 CD1 PHE A 15 5.350 -20.051 -13.941 1.00 0.00 C ATOM 187 CD2 PHE A 15 6.973 -21.792 -14.073 1.00 0.00 C ATOM 188 CE1 PHE A 15 5.952 -19.573 -12.793 1.00 0.00 C ATOM 189 CE2 PHE A 15 7.580 -21.319 -12.925 1.00 0.00 C ATOM 190 CZ PHE A 15 7.068 -20.208 -12.284 1.00 0.00 C ATOM 0 HA PHE A 15 6.353 -20.252 -16.955 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.128 -21.794 -15.660 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.588 -22.675 -16.063 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.477 -19.551 -14.334 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.377 -22.661 -14.570 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.550 -18.704 -12.294 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.453 -21.817 -12.530 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.539 -19.836 -11.386 1.00 0.00 H new ATOM 200 N ARG A 16 6.663 -22.061 -18.691 1.00 0.00 N ATOM 201 CA ARG A 16 6.853 -22.877 -19.884 1.00 0.00 C ATOM 202 C ARG A 16 5.996 -24.138 -19.823 1.00 0.00 C ATOM 203 O ARG A 16 5.182 -24.392 -20.711 1.00 0.00 O ATOM 204 CB ARG A 16 8.326 -23.256 -20.039 1.00 0.00 C ATOM 205 CG ARG A 16 8.579 -24.288 -21.126 1.00 0.00 C ATOM 206 CD ARG A 16 10.054 -24.643 -21.226 1.00 0.00 C ATOM 207 NE ARG A 16 10.259 -26.068 -21.473 1.00 0.00 N ATOM 208 CZ ARG A 16 9.989 -27.015 -20.582 1.00 0.00 C ATOM 209 NH1 ARG A 16 9.505 -26.690 -19.391 1.00 0.00 N ATOM 210 NH2 ARG A 16 10.202 -28.290 -20.882 1.00 0.00 N ATOM 0 H ARG A 16 7.520 -21.862 -18.175 1.00 0.00 H new ATOM 0 HA ARG A 16 6.543 -22.290 -20.748 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.902 -22.358 -20.262 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.694 -23.644 -19.089 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.001 -25.188 -20.916 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.231 -23.902 -22.084 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.512 -24.066 -22.030 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.559 -24.359 -20.302 1.00 0.00 H new ATOM 0 HE ARG A 16 10.630 -26.351 -22.380 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.339 -25.711 -19.158 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.298 -27.419 -18.708 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.573 -28.543 -21.798 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.994 -29.017 -20.197 1.00 0.00 H new ATOM 224 N SER A 17 6.185 -24.925 -18.769 1.00 0.00 N ATOM 225 CA SER A 17 5.432 -26.162 -18.593 1.00 0.00 C ATOM 226 C SER A 17 3.935 -25.914 -18.751 1.00 0.00 C ATOM 227 O SER A 17 3.214 -26.743 -19.306 1.00 0.00 O ATOM 228 CB SER A 17 5.719 -26.768 -17.218 1.00 0.00 C ATOM 229 OG SER A 17 4.890 -26.190 -16.224 1.00 0.00 O ATOM 0 H SER A 17 6.853 -24.728 -18.024 1.00 0.00 H new ATOM 0 HA SER A 17 5.749 -26.864 -19.364 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.556 -27.845 -17.251 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.766 -26.611 -16.959 1.00 0.00 H new ATOM 0 HG SER A 17 5.091 -26.595 -15.354 1.00 0.00 H new ATOM 235 N GLU A 18 3.477 -24.768 -18.258 1.00 0.00 N ATOM 236 CA GLU A 18 2.065 -24.411 -18.344 1.00 0.00 C ATOM 237 C GLU A 18 1.639 -24.219 -19.796 1.00 0.00 C ATOM 238 O GLU A 18 0.545 -24.621 -20.193 1.00 0.00 O ATOM 239 CB GLU A 18 1.790 -23.134 -17.547 1.00 0.00 C ATOM 240 CG GLU A 18 0.405 -22.556 -17.783 1.00 0.00 C ATOM 241 CD GLU A 18 -0.702 -23.499 -17.355 1.00 0.00 C ATOM 242 OE1 GLU A 18 -1.110 -24.346 -18.177 1.00 0.00 O ATOM 243 OE2 GLU A 18 -1.160 -23.391 -16.198 1.00 0.00 O ATOM 0 H GLU A 18 4.061 -24.072 -17.796 1.00 0.00 H new ATOM 0 HA GLU A 18 1.483 -25.229 -17.919 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.910 -23.346 -16.485 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.537 -22.384 -17.809 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.309 -21.618 -17.237 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.289 -22.322 -18.841 1.00 0.00 H new ATOM 250 N VAL A 19 2.512 -23.601 -20.586 1.00 0.00 N ATOM 251 CA VAL A 19 2.228 -23.356 -21.995 1.00 0.00 C ATOM 252 C VAL A 19 2.295 -24.647 -22.802 1.00 0.00 C ATOM 253 O VAL A 19 1.574 -24.815 -23.787 1.00 0.00 O ATOM 254 CB VAL A 19 3.213 -22.336 -22.597 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.883 -22.072 -24.058 1.00 0.00 C ATOM 256 CG2 VAL A 19 3.196 -21.043 -21.796 1.00 0.00 C ATOM 0 H VAL A 19 3.422 -23.261 -20.274 1.00 0.00 H new ATOM 0 HA VAL A 19 1.218 -22.950 -22.048 1.00 0.00 H new ATOM 0 HB VAL A 19 4.218 -22.755 -22.547 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.590 -21.349 -24.466 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.951 -23.003 -24.620 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.871 -21.674 -24.136 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.898 -20.334 -22.235 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.192 -20.618 -21.812 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.486 -21.249 -20.766 1.00 0.00 H new ATOM 266 N LEU A 20 3.163 -25.559 -22.379 1.00 0.00 N ATOM 267 CA LEU A 20 3.324 -26.838 -23.062 1.00 0.00 C ATOM 268 C LEU A 20 2.040 -27.659 -22.990 1.00 0.00 C ATOM 269 O LEU A 20 1.799 -28.526 -23.828 1.00 0.00 O ATOM 270 CB LEU A 20 4.482 -27.625 -22.445 1.00 0.00 C ATOM 271 CG LEU A 20 5.838 -27.475 -23.135 1.00 0.00 C ATOM 272 CD1 LEU A 20 5.828 -28.169 -24.488 1.00 0.00 C ATOM 273 CD2 LEU A 20 6.198 -26.005 -23.290 1.00 0.00 C ATOM 0 H LEU A 20 3.767 -25.437 -21.566 1.00 0.00 H new ATOM 0 HA LEU A 20 3.547 -26.637 -24.110 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.590 -27.318 -21.405 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.215 -28.682 -22.439 1.00 0.00 H new ATOM 0 HG LEU A 20 6.596 -27.950 -22.512 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.801 -28.052 -24.964 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.616 -29.229 -24.351 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.059 -27.724 -25.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.166 -25.918 -23.783 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.438 -25.506 -23.891 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.248 -25.537 -22.307 1.00 0.00 H new ATOM 285 N GLY A 21 1.218 -27.376 -21.984 1.00 0.00 N ATOM 286 CA GLY A 21 -0.032 -28.095 -21.823 1.00 0.00 C ATOM 287 C GLY A 21 -1.238 -27.248 -22.176 1.00 0.00 C ATOM 288 O GLY A 21 -2.362 -27.564 -21.787 1.00 0.00 O ATOM 0 H GLY A 21 1.396 -26.662 -21.278 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.020 -28.984 -22.453 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.121 -28.436 -20.792 1.00 0.00 H new ATOM 292 N TRP A 22 -1.005 -26.168 -22.913 1.00 0.00 N ATOM 293 CA TRP A 22 -2.082 -25.271 -23.317 1.00 0.00 C ATOM 294 C TRP A 22 -2.726 -25.745 -24.615 1.00 0.00 C ATOM 295 O TRP A 22 -2.349 -26.780 -25.165 1.00 0.00 O ATOM 296 CB TRP A 22 -1.550 -23.847 -23.487 1.00 0.00 C ATOM 297 CG TRP A 22 -1.601 -23.040 -22.225 1.00 0.00 C ATOM 298 CD1 TRP A 22 -1.987 -23.474 -20.989 1.00 0.00 C ATOM 299 CD2 TRP A 22 -1.256 -21.658 -22.078 1.00 0.00 C ATOM 300 NE1 TRP A 22 -1.902 -22.446 -20.082 1.00 0.00 N ATOM 301 CE2 TRP A 22 -1.456 -21.321 -20.724 1.00 0.00 C ATOM 302 CE3 TRP A 22 -0.796 -20.673 -22.956 1.00 0.00 C ATOM 303 CZ2 TRP A 22 -1.212 -20.042 -20.233 1.00 0.00 C ATOM 304 CZ3 TRP A 22 -0.555 -19.404 -22.466 1.00 0.00 C ATOM 305 CH2 TRP A 22 -0.762 -19.097 -21.115 1.00 0.00 C ATOM 0 H TRP A 22 -0.080 -25.892 -23.243 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.840 -25.277 -22.534 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.520 -23.891 -23.840 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.130 -23.340 -24.258 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -2.311 -24.478 -20.759 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.134 -22.510 -19.091 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -0.632 -20.900 -23.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.372 -19.803 -19.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -0.201 -18.635 -23.136 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.563 -18.096 -20.763 1.00 0.00 H new ATOM 316 N ASP A 23 -3.700 -24.982 -25.100 1.00 0.00 N ATOM 317 CA ASP A 23 -4.396 -25.324 -26.334 1.00 0.00 C ATOM 318 C ASP A 23 -4.522 -24.105 -27.243 1.00 0.00 C ATOM 319 O ASP A 23 -4.353 -22.962 -26.816 1.00 0.00 O ATOM 320 CB ASP A 23 -5.783 -25.888 -26.023 1.00 0.00 C ATOM 321 CG ASP A 23 -5.933 -26.287 -24.568 1.00 0.00 C ATOM 322 OD1 ASP A 23 -5.119 -27.104 -24.091 1.00 0.00 O ATOM 323 OD2 ASP A 23 -6.865 -25.782 -23.908 1.00 0.00 O ATOM 0 H ASP A 23 -4.025 -24.123 -24.657 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.811 -26.083 -26.853 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.539 -25.143 -26.272 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.969 -26.756 -26.656 1.00 0.00 H new ATOM 328 N PRO A 24 -4.824 -24.351 -28.526 1.00 0.00 N ATOM 329 CA PRO A 24 -4.978 -23.286 -29.522 1.00 0.00 C ATOM 330 C PRO A 24 -6.230 -22.449 -29.286 1.00 0.00 C ATOM 331 O PRO A 24 -6.440 -21.430 -29.944 1.00 0.00 O ATOM 332 CB PRO A 24 -5.087 -24.050 -30.844 1.00 0.00 C ATOM 333 CG PRO A 24 -5.608 -25.393 -30.464 1.00 0.00 C ATOM 334 CD PRO A 24 -5.039 -25.688 -29.104 1.00 0.00 C ATOM 0 HA PRO A 24 -4.151 -22.576 -29.491 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.760 -23.546 -31.538 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.118 -24.126 -31.338 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.698 -25.396 -30.440 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.303 -26.149 -31.187 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.727 -26.281 -28.501 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.108 -26.251 -29.172 1.00 0.00 H new ATOM 342 N ASP A 25 -7.058 -22.884 -28.343 1.00 0.00 N ATOM 343 CA ASP A 25 -8.289 -22.173 -28.019 1.00 0.00 C ATOM 344 C ASP A 25 -8.186 -21.501 -26.653 1.00 0.00 C ATOM 345 O ASP A 25 -8.912 -20.552 -26.360 1.00 0.00 O ATOM 346 CB ASP A 25 -9.479 -23.134 -28.039 1.00 0.00 C ATOM 347 CG ASP A 25 -10.807 -22.409 -28.132 1.00 0.00 C ATOM 348 OD1 ASP A 25 -10.991 -21.627 -29.089 1.00 0.00 O ATOM 349 OD2 ASP A 25 -11.663 -22.624 -27.249 1.00 0.00 O ATOM 0 H ASP A 25 -6.899 -23.726 -27.789 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.442 -21.401 -28.773 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.379 -23.814 -28.885 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.464 -23.745 -27.136 1.00 0.00 H new ATOM 354 N SER A 26 -7.278 -22.002 -25.820 1.00 0.00 N ATOM 355 CA SER A 26 -7.083 -21.454 -24.483 1.00 0.00 C ATOM 356 C SER A 26 -5.987 -20.393 -24.486 1.00 0.00 C ATOM 357 O SER A 26 -6.128 -19.335 -23.872 1.00 0.00 O ATOM 358 CB SER A 26 -6.726 -22.569 -23.499 1.00 0.00 C ATOM 359 OG SER A 26 -7.723 -22.706 -22.501 1.00 0.00 O ATOM 0 H SER A 26 -6.667 -22.786 -26.048 1.00 0.00 H new ATOM 0 HA SER A 26 -8.016 -20.987 -24.169 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.613 -23.510 -24.037 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.766 -22.352 -23.031 1.00 0.00 H new ATOM 0 HG SER A 26 -7.473 -23.426 -21.885 1.00 0.00 H new ATOM 365 N LEU A 27 -4.893 -20.683 -25.182 1.00 0.00 N ATOM 366 CA LEU A 27 -3.770 -19.755 -25.266 1.00 0.00 C ATOM 367 C LEU A 27 -4.242 -18.367 -25.688 1.00 0.00 C ATOM 368 O LEU A 27 -3.654 -17.358 -25.303 1.00 0.00 O ATOM 369 CB LEU A 27 -2.727 -20.275 -26.256 1.00 0.00 C ATOM 370 CG LEU A 27 -1.721 -19.246 -26.773 1.00 0.00 C ATOM 371 CD1 LEU A 27 -0.945 -18.632 -25.618 1.00 0.00 C ATOM 372 CD2 LEU A 27 -0.771 -19.885 -27.775 1.00 0.00 C ATOM 0 H LEU A 27 -4.760 -21.554 -25.696 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.317 -19.679 -24.277 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.175 -21.085 -25.780 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.249 -20.704 -27.111 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.270 -18.452 -27.279 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.234 -17.902 -26.005 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.637 -18.138 -24.936 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.407 -19.415 -25.084 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.062 -19.138 -28.132 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.229 -20.699 -27.294 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.341 -20.277 -28.618 1.00 0.00 H new ATOM 384 N ALA A 28 -5.308 -18.326 -26.481 1.00 0.00 N ATOM 385 CA ALA A 28 -5.861 -17.062 -26.952 1.00 0.00 C ATOM 386 C ALA A 28 -6.229 -16.155 -25.784 1.00 0.00 C ATOM 387 O ALA A 28 -6.143 -14.931 -25.884 1.00 0.00 O ATOM 388 CB ALA A 28 -7.076 -17.314 -27.832 1.00 0.00 C ATOM 0 H ALA A 28 -5.806 -19.153 -26.811 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.097 -16.556 -27.543 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.479 -16.362 -28.177 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.784 -17.917 -28.692 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.837 -17.844 -27.259 1.00 0.00 H new ATOM 394 N ASP A 29 -6.641 -16.762 -24.676 1.00 0.00 N ATOM 395 CA ASP A 29 -7.023 -16.008 -23.488 1.00 0.00 C ATOM 396 C ASP A 29 -5.828 -15.251 -22.917 1.00 0.00 C ATOM 397 O ASP A 29 -5.944 -14.087 -22.532 1.00 0.00 O ATOM 398 CB ASP A 29 -7.601 -16.946 -22.427 1.00 0.00 C ATOM 399 CG ASP A 29 -8.045 -16.207 -21.180 1.00 0.00 C ATOM 400 OD1 ASP A 29 -8.815 -15.232 -21.311 1.00 0.00 O ATOM 401 OD2 ASP A 29 -7.621 -16.602 -20.073 1.00 0.00 O ATOM 0 H ASP A 29 -6.719 -17.774 -24.576 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.785 -15.284 -23.777 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.450 -17.486 -22.847 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.852 -17.690 -22.157 1.00 0.00 H new ATOM 406 N TYR A 30 -4.681 -15.919 -22.866 1.00 0.00 N ATOM 407 CA TYR A 30 -3.465 -15.310 -22.339 1.00 0.00 C ATOM 408 C TYR A 30 -3.192 -13.968 -23.011 1.00 0.00 C ATOM 409 O TYR A 30 -2.866 -12.983 -22.349 1.00 0.00 O ATOM 410 CB TYR A 30 -2.272 -16.246 -22.541 1.00 0.00 C ATOM 411 CG TYR A 30 -0.937 -15.596 -22.255 1.00 0.00 C ATOM 412 CD1 TYR A 30 -0.758 -14.795 -21.134 1.00 0.00 C ATOM 413 CD2 TYR A 30 0.145 -15.784 -23.106 1.00 0.00 C ATOM 414 CE1 TYR A 30 0.460 -14.198 -20.870 1.00 0.00 C ATOM 415 CE2 TYR A 30 1.367 -15.192 -22.849 1.00 0.00 C ATOM 416 CZ TYR A 30 1.519 -14.400 -21.730 1.00 0.00 C ATOM 417 OH TYR A 30 2.734 -13.809 -21.469 1.00 0.00 O ATOM 0 H TYR A 30 -4.568 -16.882 -23.183 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.608 -15.139 -21.272 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.389 -17.115 -21.894 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.277 -16.610 -23.568 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.585 -14.636 -20.457 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.029 -16.403 -23.983 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.582 -13.577 -19.995 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.198 -15.349 -23.520 1.00 0.00 H new ATOM 0 HH TYR A 30 3.383 -14.496 -21.208 1.00 0.00 H new ATOM 427 N PHE A 31 -3.329 -13.937 -24.333 1.00 0.00 N ATOM 428 CA PHE A 31 -3.098 -12.717 -25.097 1.00 0.00 C ATOM 429 C PHE A 31 -4.144 -11.658 -24.762 1.00 0.00 C ATOM 430 O PHE A 31 -3.829 -10.475 -24.636 1.00 0.00 O ATOM 431 CB PHE A 31 -3.123 -13.017 -26.597 1.00 0.00 C ATOM 432 CG PHE A 31 -1.972 -13.865 -27.058 1.00 0.00 C ATOM 433 CD1 PHE A 31 -0.683 -13.356 -27.079 1.00 0.00 C ATOM 434 CD2 PHE A 31 -2.178 -15.172 -27.470 1.00 0.00 C ATOM 435 CE1 PHE A 31 0.378 -14.134 -27.503 1.00 0.00 C ATOM 436 CE2 PHE A 31 -1.121 -15.955 -27.894 1.00 0.00 C ATOM 437 CZ PHE A 31 0.158 -15.435 -27.911 1.00 0.00 C ATOM 0 H PHE A 31 -3.599 -14.743 -24.897 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.116 -12.330 -24.827 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.057 -13.522 -26.843 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.114 -12.076 -27.148 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.505 -12.339 -26.760 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.176 -15.584 -27.460 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.378 -13.725 -27.515 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.295 -16.972 -28.212 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.985 -16.045 -28.243 1.00 0.00 H new ATOM 447 N LYS A 32 -5.391 -12.093 -24.618 1.00 0.00 N ATOM 448 CA LYS A 32 -6.486 -11.185 -24.296 1.00 0.00 C ATOM 449 C LYS A 32 -6.181 -10.392 -23.029 1.00 0.00 C ATOM 450 O LYS A 32 -6.686 -9.286 -22.839 1.00 0.00 O ATOM 451 CB LYS A 32 -7.790 -11.967 -24.120 1.00 0.00 C ATOM 452 CG LYS A 32 -9.021 -11.082 -24.020 1.00 0.00 C ATOM 453 CD LYS A 32 -10.163 -11.795 -23.316 1.00 0.00 C ATOM 454 CE LYS A 32 -11.192 -10.808 -22.785 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.156 -11.459 -21.855 1.00 0.00 N ATOM 0 H LYS A 32 -5.669 -13.069 -24.719 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.599 -10.484 -25.123 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.911 -12.650 -24.961 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.719 -12.579 -23.221 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.771 -10.169 -23.479 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.338 -10.783 -25.019 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.644 -12.487 -24.008 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.769 -12.390 -22.492 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.682 -9.994 -22.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.735 -10.365 -23.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.841 -10.754 -21.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.661 -12.219 -22.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.641 -11.860 -21.045 1.00 0.00 H new ATOM 469 N LYS A 33 -5.351 -10.965 -22.164 1.00 0.00 N ATOM 470 CA LYS A 33 -4.976 -10.312 -20.915 1.00 0.00 C ATOM 471 C LYS A 33 -3.828 -9.332 -21.137 1.00 0.00 C ATOM 472 O LYS A 33 -3.666 -8.369 -20.387 1.00 0.00 O ATOM 473 CB LYS A 33 -4.575 -11.356 -19.870 1.00 0.00 C ATOM 474 CG LYS A 33 -5.674 -12.356 -19.556 1.00 0.00 C ATOM 475 CD LYS A 33 -5.109 -13.742 -19.298 1.00 0.00 C ATOM 476 CE LYS A 33 -5.016 -14.038 -17.809 1.00 0.00 C ATOM 477 NZ LYS A 33 -4.181 -15.239 -17.533 1.00 0.00 N ATOM 0 H LYS A 33 -4.925 -11.881 -22.305 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.840 -9.756 -20.551 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.696 -11.894 -20.225 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.286 -10.846 -18.951 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.233 -12.021 -18.682 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.378 -12.398 -20.387 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.740 -14.489 -19.780 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.120 -13.822 -19.748 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.594 -13.176 -17.293 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.017 -14.191 -17.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.143 -15.407 -16.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.598 -16.067 -18.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.218 -15.083 -17.894 1.00 0.00 H new ATOM 491 N LEU A 34 -3.034 -9.584 -22.172 1.00 0.00 N ATOM 492 CA LEU A 34 -1.901 -8.722 -22.494 1.00 0.00 C ATOM 493 C LEU A 34 -2.301 -7.652 -23.505 1.00 0.00 C ATOM 494 O LEU A 34 -1.446 -7.019 -24.124 1.00 0.00 O ATOM 495 CB LEU A 34 -0.743 -9.555 -23.047 1.00 0.00 C ATOM 496 CG LEU A 34 -0.238 -10.683 -22.147 1.00 0.00 C ATOM 497 CD1 LEU A 34 0.841 -11.488 -22.855 1.00 0.00 C ATOM 498 CD2 LEU A 34 0.287 -10.123 -20.833 1.00 0.00 C ATOM 0 H LEU A 34 -3.153 -10.377 -22.802 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.580 -8.227 -21.577 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.055 -9.988 -23.998 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.091 -8.886 -23.259 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.073 -11.348 -21.927 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.189 -12.286 -22.199 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.432 -11.921 -23.768 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.677 -10.835 -23.106 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.642 -10.940 -20.205 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.109 -9.435 -21.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.513 -9.592 -20.318 1.00 0.00 H new ATOM 510 N ASN A 35 -3.605 -7.455 -23.666 1.00 0.00 N ATOM 511 CA ASN A 35 -4.118 -6.459 -24.600 1.00 0.00 C ATOM 512 C ASN A 35 -3.733 -6.810 -26.034 1.00 0.00 C ATOM 513 O ASN A 35 -3.732 -5.950 -26.915 1.00 0.00 O ATOM 514 CB ASN A 35 -3.585 -5.071 -24.242 1.00 0.00 C ATOM 515 CG ASN A 35 -4.675 -4.148 -23.730 1.00 0.00 C ATOM 516 OD1 ASN A 35 -5.461 -4.520 -22.860 1.00 0.00 O ATOM 517 ND2 ASN A 35 -4.725 -2.936 -24.271 1.00 0.00 N ATOM 0 H ASN A 35 -4.326 -7.972 -23.162 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.205 -6.453 -24.525 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.808 -5.167 -23.483 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.119 -4.626 -25.121 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.436 -2.271 -23.967 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.052 -2.670 -24.990 1.00 0.00 H new ATOM 524 N TYR A 36 -3.406 -8.077 -26.260 1.00 0.00 N ATOM 525 CA TYR A 36 -3.017 -8.542 -27.586 1.00 0.00 C ATOM 526 C TYR A 36 -4.179 -9.246 -28.279 1.00 0.00 C ATOM 527 O TYR A 36 -4.137 -10.453 -28.517 1.00 0.00 O ATOM 528 CB TYR A 36 -1.819 -9.488 -27.487 1.00 0.00 C ATOM 529 CG TYR A 36 -0.549 -8.810 -27.023 1.00 0.00 C ATOM 530 CD1 TYR A 36 -0.196 -7.553 -27.498 1.00 0.00 C ATOM 531 CD2 TYR A 36 0.297 -9.427 -26.110 1.00 0.00 C ATOM 532 CE1 TYR A 36 0.964 -6.931 -27.077 1.00 0.00 C ATOM 533 CE2 TYR A 36 1.458 -8.812 -25.683 1.00 0.00 C ATOM 534 CZ TYR A 36 1.787 -7.564 -26.170 1.00 0.00 C ATOM 535 OH TYR A 36 2.943 -6.948 -25.747 1.00 0.00 O ATOM 0 H TYR A 36 -3.403 -8.801 -25.542 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.736 -7.672 -28.180 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.062 -10.297 -26.798 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.643 -9.942 -28.462 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.839 -7.054 -28.208 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.043 -10.404 -25.727 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.225 -5.954 -27.457 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.104 -9.305 -24.972 1.00 0.00 H new ATOM 0 HH TYR A 36 3.407 -7.528 -25.108 1.00 0.00 H new ATOM 545 N LYS A 37 -5.217 -8.482 -28.603 1.00 0.00 N ATOM 546 CA LYS A 37 -6.392 -9.029 -29.271 1.00 0.00 C ATOM 547 C LYS A 37 -6.073 -9.397 -30.716 1.00 0.00 C ATOM 548 O LYS A 37 -6.760 -10.220 -31.323 1.00 0.00 O ATOM 549 CB LYS A 37 -7.542 -8.020 -29.232 1.00 0.00 C ATOM 550 CG LYS A 37 -8.449 -8.178 -28.023 1.00 0.00 C ATOM 551 CD LYS A 37 -9.005 -6.840 -27.565 1.00 0.00 C ATOM 552 CE LYS A 37 -8.051 -6.137 -26.612 1.00 0.00 C ATOM 553 NZ LYS A 37 -7.734 -4.754 -27.064 1.00 0.00 N ATOM 0 H LYS A 37 -5.268 -7.481 -28.413 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.693 -9.933 -28.742 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.129 -7.011 -29.237 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.138 -8.125 -30.139 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.271 -8.850 -28.269 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.893 -8.640 -27.208 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.189 -6.205 -28.432 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.965 -6.993 -27.073 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.493 -6.101 -25.616 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.129 -6.713 -26.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.081 -4.309 -26.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.289 -4.789 -28.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.610 -4.197 -27.117 1.00 0.00 H new ATOM 567 N ASP A 38 -5.028 -8.785 -31.261 1.00 0.00 N ATOM 568 CA ASP A 38 -4.617 -9.051 -32.635 1.00 0.00 C ATOM 569 C ASP A 38 -3.909 -10.398 -32.740 1.00 0.00 C ATOM 570 O ASP A 38 -3.840 -10.992 -33.816 1.00 0.00 O ATOM 571 CB ASP A 38 -3.698 -7.937 -33.140 1.00 0.00 C ATOM 572 CG ASP A 38 -4.468 -6.791 -33.765 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.543 -7.045 -34.347 1.00 0.00 O ATOM 574 OD2 ASP A 38 -3.995 -5.638 -33.673 1.00 0.00 O ATOM 0 H ASP A 38 -4.450 -8.101 -30.773 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.512 -9.082 -33.256 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.100 -7.560 -32.311 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.004 -8.347 -33.873 1.00 0.00 H new ATOM 579 N CYS A 39 -3.384 -10.874 -31.616 1.00 0.00 N ATOM 580 CA CYS A 39 -2.679 -12.150 -31.581 1.00 0.00 C ATOM 581 C CYS A 39 -3.637 -13.291 -31.256 1.00 0.00 C ATOM 582 O CYS A 39 -3.654 -14.314 -31.941 1.00 0.00 O ATOM 583 CB CYS A 39 -1.551 -12.105 -30.550 1.00 0.00 C ATOM 584 SG CYS A 39 -0.370 -10.760 -30.805 1.00 0.00 S ATOM 0 H CYS A 39 -3.433 -10.395 -30.717 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.252 -12.329 -32.568 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.986 -12.008 -29.555 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.015 -13.054 -30.572 1.00 0.00 H new ATOM 0 HG CYS A 39 0.375 -10.630 -29.748 1.00 0.00 H new ATOM 590 N GLU A 40 -4.431 -13.109 -30.205 1.00 0.00 N ATOM 591 CA GLU A 40 -5.390 -14.126 -29.788 1.00 0.00 C ATOM 592 C GLU A 40 -6.261 -14.566 -30.961 1.00 0.00 C ATOM 593 O GLU A 40 -6.721 -15.707 -31.014 1.00 0.00 O ATOM 594 CB GLU A 40 -6.270 -13.594 -28.656 1.00 0.00 C ATOM 595 CG GLU A 40 -7.370 -12.658 -29.129 1.00 0.00 C ATOM 596 CD GLU A 40 -8.019 -11.897 -27.989 1.00 0.00 C ATOM 597 OE1 GLU A 40 -7.283 -11.418 -27.101 1.00 0.00 O ATOM 598 OE2 GLU A 40 -9.262 -11.781 -27.984 1.00 0.00 O ATOM 0 H GLU A 40 -4.429 -12.268 -29.628 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.832 -14.990 -29.429 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.722 -14.436 -28.132 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.643 -13.069 -27.935 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.955 -11.948 -29.845 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.131 -13.234 -29.656 1.00 0.00 H new ATOM 605 N LYS A 41 -6.484 -13.653 -31.900 1.00 0.00 N ATOM 606 CA LYS A 41 -7.299 -13.945 -33.073 1.00 0.00 C ATOM 607 C LYS A 41 -6.672 -15.056 -33.909 1.00 0.00 C ATOM 608 O LYS A 41 -7.310 -16.069 -34.191 1.00 0.00 O ATOM 609 CB LYS A 41 -7.472 -12.686 -33.925 1.00 0.00 C ATOM 610 CG LYS A 41 -8.356 -11.632 -33.282 1.00 0.00 C ATOM 611 CD LYS A 41 -9.757 -11.643 -33.872 1.00 0.00 C ATOM 612 CE LYS A 41 -10.739 -12.367 -32.963 1.00 0.00 C ATOM 613 NZ LYS A 41 -11.823 -11.464 -32.489 1.00 0.00 N ATOM 0 H LYS A 41 -6.111 -12.704 -31.871 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.277 -14.281 -32.730 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.491 -12.254 -34.123 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.897 -12.966 -34.889 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.411 -11.808 -32.208 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.910 -10.647 -33.421 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.094 -10.619 -34.031 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.738 -12.127 -34.848 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.176 -13.210 -33.498 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.206 -12.776 -32.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.472 -11.994 -31.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.408 -10.673 -31.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.348 -11.093 -33.306 1.00 0.00 H new ATOM 627 N ALA A 42 -5.417 -14.858 -34.301 1.00 0.00 N ATOM 628 CA ALA A 42 -4.703 -15.845 -35.101 1.00 0.00 C ATOM 629 C ALA A 42 -4.465 -17.126 -34.309 1.00 0.00 C ATOM 630 O ALA A 42 -4.405 -18.217 -34.877 1.00 0.00 O ATOM 631 CB ALA A 42 -3.381 -15.271 -35.589 1.00 0.00 C ATOM 0 H ALA A 42 -4.875 -14.024 -34.077 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.321 -16.092 -35.964 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.858 -16.019 -36.185 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.571 -14.388 -36.199 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.766 -14.995 -34.733 1.00 0.00 H new ATOM 637 N VAL A 43 -4.329 -16.987 -32.994 1.00 0.00 N ATOM 638 CA VAL A 43 -4.098 -18.134 -32.124 1.00 0.00 C ATOM 639 C VAL A 43 -5.257 -19.121 -32.196 1.00 0.00 C ATOM 640 O VAL A 43 -5.064 -20.332 -32.087 1.00 0.00 O ATOM 641 CB VAL A 43 -3.901 -17.697 -30.660 1.00 0.00 C ATOM 642 CG1 VAL A 43 -3.695 -18.909 -29.764 1.00 0.00 C ATOM 643 CG2 VAL A 43 -2.730 -16.733 -30.545 1.00 0.00 C ATOM 0 H VAL A 43 -4.375 -16.091 -32.508 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.188 -18.620 -32.476 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.801 -17.180 -30.329 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.558 -18.581 -28.734 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.568 -19.559 -29.824 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.811 -19.457 -30.091 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.605 -16.435 -29.504 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.820 -17.222 -30.894 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.924 -15.851 -31.155 1.00 0.00 H new ATOM 653 N LYS A 44 -6.464 -18.596 -32.382 1.00 0.00 N ATOM 654 CA LYS A 44 -7.656 -19.430 -32.472 1.00 0.00 C ATOM 655 C LYS A 44 -7.993 -19.744 -33.926 1.00 0.00 C ATOM 656 O LYS A 44 -8.428 -20.850 -34.249 1.00 0.00 O ATOM 657 CB LYS A 44 -8.843 -18.733 -31.802 1.00 0.00 C ATOM 658 CG LYS A 44 -8.798 -18.780 -30.284 1.00 0.00 C ATOM 659 CD LYS A 44 -9.669 -17.699 -29.667 1.00 0.00 C ATOM 660 CE LYS A 44 -10.309 -18.171 -28.370 1.00 0.00 C ATOM 661 NZ LYS A 44 -11.574 -18.917 -28.616 1.00 0.00 N ATOM 0 H LYS A 44 -6.642 -17.596 -32.473 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.452 -20.367 -31.954 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.872 -17.692 -32.124 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.767 -19.198 -32.144 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.132 -19.759 -29.939 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.769 -18.657 -29.946 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.067 -16.811 -29.475 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.447 -17.410 -30.374 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.609 -18.810 -27.831 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.512 -17.311 -27.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.183 -18.855 -27.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.068 -18.503 -29.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.356 -19.915 -28.813 1.00 0.00 H new ATOM 675 N LYS A 45 -7.787 -18.765 -34.801 1.00 0.00 N ATOM 676 CA LYS A 45 -8.065 -18.938 -36.222 1.00 0.00 C ATOM 677 C LYS A 45 -7.120 -19.962 -36.841 1.00 0.00 C ATOM 678 O LYS A 45 -7.558 -20.914 -37.488 1.00 0.00 O ATOM 679 CB LYS A 45 -7.936 -17.600 -36.953 1.00 0.00 C ATOM 680 CG LYS A 45 -8.567 -17.599 -38.335 1.00 0.00 C ATOM 681 CD LYS A 45 -7.663 -18.261 -39.361 1.00 0.00 C ATOM 682 CE LYS A 45 -8.046 -17.866 -40.779 1.00 0.00 C ATOM 683 NZ LYS A 45 -7.124 -18.457 -41.788 1.00 0.00 N ATOM 0 H LYS A 45 -7.428 -17.843 -34.551 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.086 -19.305 -36.326 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.401 -16.820 -36.350 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.880 -17.346 -37.045 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.523 -18.122 -38.300 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.775 -16.574 -38.640 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.627 -17.979 -39.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.723 -19.344 -39.255 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.066 -18.192 -40.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.035 -16.780 -40.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.419 -18.164 -42.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.155 -18.126 -41.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.154 -19.494 -41.720 1.00 0.00 H new ATOM 697 N TYR A 46 -5.823 -19.761 -36.639 1.00 0.00 N ATOM 698 CA TYR A 46 -4.816 -20.667 -37.178 1.00 0.00 C ATOM 699 C TYR A 46 -4.647 -21.890 -36.283 1.00 0.00 C ATOM 700 O TYR A 46 -3.965 -22.850 -36.644 1.00 0.00 O ATOM 701 CB TYR A 46 -3.476 -19.943 -37.329 1.00 0.00 C ATOM 702 CG TYR A 46 -3.476 -18.888 -38.412 1.00 0.00 C ATOM 703 CD1 TYR A 46 -4.159 -17.690 -38.242 1.00 0.00 C ATOM 704 CD2 TYR A 46 -2.795 -19.090 -39.606 1.00 0.00 C ATOM 705 CE1 TYR A 46 -4.163 -16.724 -39.230 1.00 0.00 C ATOM 706 CE2 TYR A 46 -2.791 -18.129 -40.598 1.00 0.00 C ATOM 707 CZ TYR A 46 -3.477 -16.948 -40.405 1.00 0.00 C ATOM 708 OH TYR A 46 -3.477 -15.988 -41.392 1.00 0.00 O ATOM 0 H TYR A 46 -5.444 -18.978 -36.106 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.154 -21.001 -38.159 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.216 -19.476 -36.379 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.699 -20.676 -37.547 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.696 -17.511 -37.322 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.259 -20.015 -39.761 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.700 -15.799 -39.083 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.254 -18.301 -41.519 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.946 -16.302 -42.154 1.00 0.00 H new ATOM 718 N HIS A 47 -5.275 -21.849 -35.111 1.00 0.00 N ATOM 719 CA HIS A 47 -5.197 -22.954 -34.163 1.00 0.00 C ATOM 720 C HIS A 47 -3.765 -23.152 -33.676 1.00 0.00 C ATOM 721 O HIS A 47 -3.151 -24.189 -33.929 1.00 0.00 O ATOM 722 CB HIS A 47 -5.712 -24.242 -34.805 1.00 0.00 C ATOM 723 CG HIS A 47 -7.013 -24.073 -35.527 1.00 0.00 C ATOM 724 ND1 HIS A 47 -8.235 -24.069 -34.887 1.00 0.00 N ATOM 725 CD2 HIS A 47 -7.280 -23.899 -36.843 1.00 0.00 C ATOM 726 CE1 HIS A 47 -9.196 -23.901 -35.778 1.00 0.00 C ATOM 727 NE2 HIS A 47 -8.643 -23.795 -36.972 1.00 0.00 N ATOM 0 H HIS A 47 -5.843 -21.062 -34.796 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.823 -22.709 -33.305 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.963 -24.614 -35.505 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.831 -25.001 -34.032 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.556 -23.851 -37.643 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.254 -23.858 -35.566 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.147 -23.658 -37.848 1.00 0.00 H new ATOM 735 N ILE A 48 -3.239 -22.152 -32.977 1.00 0.00 N ATOM 736 CA ILE A 48 -1.880 -22.217 -32.455 1.00 0.00 C ATOM 737 C ILE A 48 -1.880 -22.455 -30.949 1.00 0.00 C ATOM 738 O ILE A 48 -2.174 -21.550 -30.167 1.00 0.00 O ATOM 739 CB ILE A 48 -1.097 -20.926 -32.759 1.00 0.00 C ATOM 740 CG1 ILE A 48 -1.183 -20.591 -34.250 1.00 0.00 C ATOM 741 CG2 ILE A 48 0.354 -21.072 -32.327 1.00 0.00 C ATOM 742 CD1 ILE A 48 -0.435 -19.332 -34.630 1.00 0.00 C ATOM 0 H ILE A 48 -3.734 -21.287 -32.759 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.391 -23.054 -32.953 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.543 -20.107 -32.195 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.786 -21.427 -34.826 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.231 -20.480 -34.529 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.894 -20.151 -32.549 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.397 -21.269 -31.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.813 -21.901 -32.867 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.539 -19.156 -35.701 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.846 -18.485 -34.081 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.620 -19.447 -34.382 1.00 0.00 H new ATOM 754 N ASP A 49 -1.547 -23.677 -30.548 1.00 0.00 N ATOM 755 CA ASP A 49 -1.506 -24.034 -29.135 1.00 0.00 C ATOM 756 C ASP A 49 -0.260 -23.462 -28.466 1.00 0.00 C ATOM 757 O ASP A 49 0.680 -23.042 -29.139 1.00 0.00 O ATOM 758 CB ASP A 49 -1.537 -25.554 -28.970 1.00 0.00 C ATOM 759 CG ASP A 49 -0.165 -26.181 -29.123 1.00 0.00 C ATOM 760 OD1 ASP A 49 0.535 -25.845 -30.102 1.00 0.00 O ATOM 761 OD2 ASP A 49 0.209 -27.006 -28.264 1.00 0.00 O ATOM 0 H ASP A 49 -1.301 -24.437 -31.182 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.384 -23.606 -28.652 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.939 -25.802 -27.988 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.214 -25.983 -29.709 1.00 0.00 H new ATOM 766 N GLY A 50 -0.262 -23.448 -27.136 1.00 0.00 N ATOM 767 CA GLY A 50 0.873 -22.924 -26.399 1.00 0.00 C ATOM 768 C GLY A 50 2.188 -23.525 -26.854 1.00 0.00 C ATOM 769 O GLY A 50 3.166 -22.809 -27.063 1.00 0.00 O ATOM 0 H GLY A 50 -1.029 -23.790 -26.557 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.911 -21.841 -26.519 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.735 -23.122 -25.336 1.00 0.00 H new ATOM 773 N ALA A 51 2.212 -24.845 -27.007 1.00 0.00 N ATOM 774 CA ALA A 51 3.416 -25.542 -27.441 1.00 0.00 C ATOM 775 C ALA A 51 3.941 -24.968 -28.752 1.00 0.00 C ATOM 776 O ALA A 51 5.140 -25.022 -29.029 1.00 0.00 O ATOM 777 CB ALA A 51 3.140 -27.031 -27.588 1.00 0.00 C ATOM 0 H ALA A 51 1.411 -25.453 -26.837 1.00 0.00 H new ATOM 0 HA ALA A 51 4.183 -25.399 -26.679 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.048 -27.539 -27.913 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.820 -27.438 -26.629 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.354 -27.184 -28.328 1.00 0.00 H new ATOM 783 N ARG A 52 3.037 -24.418 -29.556 1.00 0.00 N ATOM 784 CA ARG A 52 3.409 -23.835 -30.839 1.00 0.00 C ATOM 785 C ARG A 52 3.913 -22.406 -30.661 1.00 0.00 C ATOM 786 O ARG A 52 4.677 -21.898 -31.483 1.00 0.00 O ATOM 787 CB ARG A 52 2.216 -23.851 -31.797 1.00 0.00 C ATOM 788 CG ARG A 52 2.272 -24.973 -32.820 1.00 0.00 C ATOM 789 CD ARG A 52 1.000 -25.032 -33.652 1.00 0.00 C ATOM 790 NE ARG A 52 1.283 -25.049 -35.085 1.00 0.00 N ATOM 791 CZ ARG A 52 0.358 -25.258 -36.015 1.00 0.00 C ATOM 792 NH1 ARG A 52 -0.904 -25.466 -35.664 1.00 0.00 N ATOM 793 NH2 ARG A 52 0.694 -25.259 -37.298 1.00 0.00 N ATOM 0 H ARG A 52 2.041 -24.364 -29.341 1.00 0.00 H new ATOM 0 HA ARG A 52 4.214 -24.436 -31.263 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.297 -23.944 -31.218 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.168 -22.896 -32.320 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.130 -24.827 -33.476 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.419 -25.925 -32.310 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.433 -25.923 -33.384 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.373 -24.172 -33.417 1.00 0.00 H new ATOM 0 HE ARG A 52 2.244 -24.892 -35.388 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.166 -25.466 -34.678 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.613 -25.626 -36.380 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.664 -25.099 -37.571 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.017 -25.420 -38.011 1.00 0.00 H new ATOM 807 N PHE A 53 3.479 -21.761 -29.583 1.00 0.00 N ATOM 808 CA PHE A 53 3.884 -20.390 -29.298 1.00 0.00 C ATOM 809 C PHE A 53 5.357 -20.328 -28.904 1.00 0.00 C ATOM 810 O PHE A 53 6.140 -19.585 -29.497 1.00 0.00 O ATOM 811 CB PHE A 53 3.021 -19.803 -28.179 1.00 0.00 C ATOM 812 CG PHE A 53 3.338 -18.368 -27.867 1.00 0.00 C ATOM 813 CD1 PHE A 53 3.269 -17.399 -28.855 1.00 0.00 C ATOM 814 CD2 PHE A 53 3.705 -17.988 -26.586 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.561 -16.078 -28.571 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.998 -16.669 -26.296 1.00 0.00 C ATOM 817 CZ PHE A 53 3.925 -15.713 -27.289 1.00 0.00 C ATOM 0 H PHE A 53 2.847 -22.166 -28.893 1.00 0.00 H new ATOM 0 HA PHE A 53 3.743 -19.801 -30.204 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.971 -19.882 -28.462 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.154 -20.400 -27.277 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.984 -17.679 -29.858 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.763 -18.732 -25.805 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.505 -15.332 -29.350 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.284 -16.386 -25.294 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.152 -14.681 -27.064 1.00 0.00 H new ATOM 827 N LEU A 54 5.728 -21.115 -27.900 1.00 0.00 N ATOM 828 CA LEU A 54 7.107 -21.151 -27.425 1.00 0.00 C ATOM 829 C LEU A 54 8.064 -21.503 -28.560 1.00 0.00 C ATOM 830 O LEU A 54 9.222 -21.088 -28.559 1.00 0.00 O ATOM 831 CB LEU A 54 7.250 -22.165 -26.289 1.00 0.00 C ATOM 832 CG LEU A 54 6.300 -21.985 -25.105 1.00 0.00 C ATOM 833 CD1 LEU A 54 6.673 -22.928 -23.972 1.00 0.00 C ATOM 834 CD2 LEU A 54 6.313 -20.541 -24.625 1.00 0.00 C ATOM 0 H LEU A 54 5.093 -21.737 -27.399 1.00 0.00 H new ATOM 0 HA LEU A 54 7.363 -20.159 -27.052 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.101 -23.164 -26.700 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.274 -22.122 -25.917 1.00 0.00 H new ATOM 0 HG LEU A 54 5.290 -22.228 -25.435 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.985 -22.785 -23.138 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.611 -23.959 -24.321 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.691 -22.717 -23.643 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.631 -20.432 -23.782 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.322 -20.270 -24.313 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.996 -19.885 -25.436 1.00 0.00 H new ATOM 846 N ASN A 55 7.571 -22.268 -29.527 1.00 0.00 N ATOM 847 CA ASN A 55 8.382 -22.675 -30.669 1.00 0.00 C ATOM 848 C ASN A 55 8.152 -21.747 -31.858 1.00 0.00 C ATOM 849 O ASN A 55 8.250 -22.163 -33.013 1.00 0.00 O ATOM 850 CB ASN A 55 8.058 -24.117 -31.064 1.00 0.00 C ATOM 851 CG ASN A 55 8.444 -25.112 -29.986 1.00 0.00 C ATOM 852 OD1 ASN A 55 9.344 -24.858 -29.185 1.00 0.00 O ATOM 853 ND2 ASN A 55 7.764 -26.252 -29.963 1.00 0.00 N ATOM 0 H ASN A 55 6.613 -22.619 -29.543 1.00 0.00 H new ATOM 0 HA ASN A 55 9.431 -22.612 -30.378 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.991 -24.204 -31.270 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.582 -24.364 -31.987 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.980 -26.960 -29.261 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.026 -26.419 -30.647 1.00 0.00 H new ATOM 860 N LEU A 56 7.846 -20.487 -31.567 1.00 0.00 N ATOM 861 CA LEU A 56 7.602 -19.498 -32.611 1.00 0.00 C ATOM 862 C LEU A 56 8.739 -19.489 -33.628 1.00 0.00 C ATOM 863 O LEU A 56 9.838 -19.013 -33.343 1.00 0.00 O ATOM 864 CB LEU A 56 7.441 -18.107 -31.996 1.00 0.00 C ATOM 865 CG LEU A 56 6.128 -17.386 -32.303 1.00 0.00 C ATOM 866 CD1 LEU A 56 6.008 -17.105 -33.793 1.00 0.00 C ATOM 867 CD2 LEU A 56 4.942 -18.206 -31.816 1.00 0.00 C ATOM 0 H LEU A 56 7.761 -20.126 -30.617 1.00 0.00 H new ATOM 0 HA LEU A 56 6.680 -19.769 -33.126 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.539 -18.196 -30.914 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.265 -17.482 -32.340 1.00 0.00 H new ATOM 0 HG LEU A 56 6.127 -16.433 -31.773 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.067 -16.592 -33.992 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.839 -16.476 -34.113 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.031 -18.045 -34.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.016 -17.677 -32.043 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.939 -19.174 -32.317 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.020 -18.355 -30.739 1.00 0.00 H new ATOM 922 N ASP A 60 5.809 -19.754 -38.335 1.00 0.00 N ATOM 923 CA ASP A 60 4.679 -19.342 -37.511 1.00 0.00 C ATOM 924 C ASP A 60 4.535 -17.823 -37.508 1.00 0.00 C ATOM 925 O ASP A 60 3.431 -17.295 -37.640 1.00 0.00 O ATOM 926 CB ASP A 60 4.851 -19.853 -36.079 1.00 0.00 C ATOM 927 CG ASP A 60 5.384 -21.271 -36.031 1.00 0.00 C ATOM 928 OD1 ASP A 60 4.991 -22.082 -36.896 1.00 0.00 O ATOM 929 OD2 ASP A 60 6.194 -21.571 -35.129 1.00 0.00 O ATOM 0 HA ASP A 60 3.774 -19.775 -37.936 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.532 -19.194 -35.540 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.892 -19.811 -35.563 1.00 0.00 H new ATOM 934 N ILE A 61 5.657 -17.127 -37.355 1.00 0.00 N ATOM 935 CA ILE A 61 5.655 -15.670 -37.335 1.00 0.00 C ATOM 936 C ILE A 61 4.963 -15.104 -38.570 1.00 0.00 C ATOM 937 O ILE A 61 4.284 -14.080 -38.499 1.00 0.00 O ATOM 938 CB ILE A 61 7.086 -15.106 -37.258 1.00 0.00 C ATOM 939 CG1 ILE A 61 7.771 -15.568 -35.970 1.00 0.00 C ATOM 940 CG2 ILE A 61 7.061 -13.587 -37.335 1.00 0.00 C ATOM 941 CD1 ILE A 61 9.208 -15.112 -35.854 1.00 0.00 C ATOM 0 H ILE A 61 6.579 -17.549 -37.243 1.00 0.00 H new ATOM 0 HA ILE A 61 5.106 -15.368 -36.443 1.00 0.00 H new ATOM 0 HB ILE A 61 7.656 -15.484 -38.106 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.209 -15.193 -35.114 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.738 -16.656 -35.921 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.080 -13.203 -37.279 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.608 -13.278 -38.277 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.478 -13.190 -36.504 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.631 -15.475 -34.917 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.784 -15.509 -36.690 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.247 -14.023 -35.871 1.00 0.00 H new ATOM 953 N GLN A 62 5.139 -15.779 -39.702 1.00 0.00 N ATOM 954 CA GLN A 62 4.530 -15.344 -40.953 1.00 0.00 C ATOM 955 C GLN A 62 3.012 -15.286 -40.829 1.00 0.00 C ATOM 956 O GLN A 62 2.346 -14.548 -41.555 1.00 0.00 O ATOM 957 CB GLN A 62 4.925 -16.286 -42.092 1.00 0.00 C ATOM 958 CG GLN A 62 6.391 -16.187 -42.483 1.00 0.00 C ATOM 959 CD GLN A 62 6.633 -15.180 -43.590 1.00 0.00 C ATOM 960 OE1 GLN A 62 5.772 -14.958 -44.442 1.00 0.00 O ATOM 961 NE2 GLN A 62 7.809 -14.564 -43.584 1.00 0.00 N ATOM 0 H GLN A 62 5.698 -16.629 -39.778 1.00 0.00 H new ATOM 0 HA GLN A 62 4.896 -14.342 -41.176 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.705 -17.312 -41.797 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.309 -16.066 -42.964 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.978 -15.908 -41.608 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.744 -17.167 -42.805 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.493 -14.779 -42.859 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.028 -13.876 -44.305 1.00 0.00 H new ATOM 970 N LYS A 63 2.468 -16.071 -39.904 1.00 0.00 N ATOM 971 CA LYS A 63 1.028 -16.109 -39.683 1.00 0.00 C ATOM 972 C LYS A 63 0.607 -15.064 -38.654 1.00 0.00 C ATOM 973 O LYS A 63 -0.531 -15.063 -38.185 1.00 0.00 O ATOM 974 CB LYS A 63 0.600 -17.502 -39.215 1.00 0.00 C ATOM 975 CG LYS A 63 1.339 -18.631 -39.911 1.00 0.00 C ATOM 976 CD LYS A 63 0.517 -19.909 -39.929 1.00 0.00 C ATOM 977 CE LYS A 63 0.214 -20.396 -38.520 1.00 0.00 C ATOM 978 NZ LYS A 63 0.807 -21.736 -38.256 1.00 0.00 N ATOM 0 H LYS A 63 3.004 -16.690 -39.295 1.00 0.00 H new ATOM 0 HA LYS A 63 0.535 -15.882 -40.628 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.763 -17.581 -38.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.470 -17.620 -39.385 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.576 -18.336 -40.933 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.286 -18.814 -39.404 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.417 -19.735 -40.464 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.057 -20.683 -40.474 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.602 -19.679 -37.797 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.865 -20.442 -38.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.578 -22.032 -37.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.418 -22.426 -38.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.840 -21.687 -38.368 1.00 0.00 H new ATOM 992 N PHE A 64 1.533 -14.175 -38.308 1.00 0.00 N ATOM 993 CA PHE A 64 1.257 -13.125 -37.334 1.00 0.00 C ATOM 994 C PHE A 64 1.483 -11.745 -37.945 1.00 0.00 C ATOM 995 O PHE A 64 2.169 -11.590 -38.956 1.00 0.00 O ATOM 996 CB PHE A 64 2.143 -13.300 -36.099 1.00 0.00 C ATOM 997 CG PHE A 64 1.547 -14.202 -35.057 1.00 0.00 C ATOM 998 CD1 PHE A 64 0.321 -13.905 -34.483 1.00 0.00 C ATOM 999 CD2 PHE A 64 2.213 -15.348 -34.651 1.00 0.00 C ATOM 1000 CE1 PHE A 64 -0.229 -14.733 -33.523 1.00 0.00 C ATOM 1001 CE2 PHE A 64 1.667 -16.180 -33.691 1.00 0.00 C ATOM 1002 CZ PHE A 64 0.444 -15.873 -33.128 1.00 0.00 C ATOM 0 H PHE A 64 2.480 -14.161 -38.687 1.00 0.00 H new ATOM 0 HA PHE A 64 0.211 -13.205 -37.036 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.108 -13.703 -36.408 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.333 -12.322 -35.656 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.211 -13.016 -34.789 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.169 -15.594 -35.089 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.184 -14.489 -33.082 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.197 -17.069 -33.382 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.014 -16.523 -32.380 1.00 0.00 H new ATOM 1012 N PRO A 65 0.893 -10.717 -37.318 1.00 0.00 N ATOM 1013 CA PRO A 65 1.014 -9.332 -37.781 1.00 0.00 C ATOM 1014 C PRO A 65 2.419 -8.774 -37.580 1.00 0.00 C ATOM 1015 O PRO A 65 3.133 -9.178 -36.662 1.00 0.00 O ATOM 1016 CB PRO A 65 0.010 -8.576 -36.907 1.00 0.00 C ATOM 1017 CG PRO A 65 -0.112 -9.399 -35.672 1.00 0.00 C ATOM 1018 CD PRO A 65 0.061 -10.828 -36.107 1.00 0.00 C ATOM 0 HA PRO A 65 0.822 -9.242 -38.850 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.362 -7.570 -36.679 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.952 -8.471 -37.409 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.646 -9.119 -34.940 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.082 -9.250 -35.198 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.549 -11.426 -35.337 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.897 -11.302 -36.320 1.00 0.00 H new ATOM 1026 N LYS A 66 2.811 -7.844 -38.444 1.00 0.00 N ATOM 1027 CA LYS A 66 4.131 -7.229 -38.362 1.00 0.00 C ATOM 1028 C LYS A 66 4.225 -6.305 -37.152 1.00 0.00 C ATOM 1029 O LYS A 66 5.292 -5.768 -36.850 1.00 0.00 O ATOM 1030 CB LYS A 66 4.432 -6.446 -39.641 1.00 0.00 C ATOM 1031 CG LYS A 66 5.222 -7.238 -40.668 1.00 0.00 C ATOM 1032 CD LYS A 66 4.642 -7.077 -42.063 1.00 0.00 C ATOM 1033 CE LYS A 66 3.568 -8.116 -42.344 1.00 0.00 C ATOM 1034 NZ LYS A 66 2.201 -7.525 -42.306 1.00 0.00 N ATOM 0 H LYS A 66 2.233 -7.499 -39.210 1.00 0.00 H new ATOM 0 HA LYS A 66 4.869 -8.023 -38.249 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.492 -6.123 -40.089 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.989 -5.545 -39.383 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.260 -6.906 -40.664 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.223 -8.293 -40.393 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.220 -6.078 -42.169 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.438 -7.167 -42.802 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.743 -8.564 -43.322 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.637 -8.918 -41.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.497 -8.265 -42.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.024 -7.120 -41.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.126 -6.777 -43.024 1.00 0.00 H new ATOM 1048 N LEU A 67 3.104 -6.124 -36.463 1.00 0.00 N ATOM 1049 CA LEU A 67 3.061 -5.265 -35.284 1.00 0.00 C ATOM 1050 C LEU A 67 3.235 -6.082 -34.008 1.00 0.00 C ATOM 1051 O LEU A 67 3.546 -5.538 -32.948 1.00 0.00 O ATOM 1052 CB LEU A 67 1.739 -4.498 -35.236 1.00 0.00 C ATOM 1053 CG LEU A 67 1.819 -3.051 -34.748 1.00 0.00 C ATOM 1054 CD1 LEU A 67 2.049 -2.106 -35.917 1.00 0.00 C ATOM 1055 CD2 LEU A 67 0.554 -2.671 -33.994 1.00 0.00 C ATOM 0 H LEU A 67 2.213 -6.560 -36.700 1.00 0.00 H new ATOM 0 HA LEU A 67 3.884 -4.554 -35.353 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.305 -4.500 -36.236 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.050 -5.041 -34.589 1.00 0.00 H new ATOM 0 HG LEU A 67 2.664 -2.965 -34.065 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.103 -1.081 -35.551 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.984 -2.364 -36.415 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.225 -2.195 -36.625 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.629 -1.638 -33.654 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.308 -2.774 -34.654 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.432 -3.328 -33.133 1.00 0.00 H new ATOM 1067 N ARG A 68 3.035 -7.392 -34.118 1.00 0.00 N ATOM 1068 CA ARG A 68 3.171 -8.284 -32.973 1.00 0.00 C ATOM 1069 C ARG A 68 4.215 -9.363 -33.246 1.00 0.00 C ATOM 1070 O ARG A 68 4.564 -10.143 -32.359 1.00 0.00 O ATOM 1071 CB ARG A 68 1.825 -8.933 -32.643 1.00 0.00 C ATOM 1072 CG ARG A 68 0.664 -7.953 -32.629 1.00 0.00 C ATOM 1073 CD ARG A 68 0.757 -6.994 -31.452 1.00 0.00 C ATOM 1074 NE ARG A 68 -0.560 -6.617 -30.947 1.00 0.00 N ATOM 1075 CZ ARG A 68 -1.315 -5.673 -31.497 1.00 0.00 C ATOM 1076 NH1 ARG A 68 -0.886 -5.014 -32.564 1.00 0.00 N ATOM 1077 NH2 ARG A 68 -2.503 -5.387 -30.980 1.00 0.00 N ATOM 0 H ARG A 68 2.778 -7.858 -34.988 1.00 0.00 H new ATOM 0 HA ARG A 68 3.500 -7.692 -32.119 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.620 -9.716 -33.373 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.893 -9.416 -31.668 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.653 -7.387 -33.561 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.276 -8.502 -32.579 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.333 -7.458 -30.651 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.298 -6.098 -31.756 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.920 -7.105 -30.127 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.026 -5.231 -32.965 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.468 -4.290 -32.984 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.837 -5.892 -30.159 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.082 -4.662 -31.403 1.00 0.00 H new ATOM 1091 N VAL A 69 4.709 -9.403 -34.480 1.00 0.00 N ATOM 1092 CA VAL A 69 5.713 -10.386 -34.869 1.00 0.00 C ATOM 1093 C VAL A 69 6.862 -10.424 -33.869 1.00 0.00 C ATOM 1094 O VAL A 69 7.181 -11.464 -33.291 1.00 0.00 O ATOM 1095 CB VAL A 69 6.276 -10.087 -36.271 1.00 0.00 C ATOM 1096 CG1 VAL A 69 7.721 -10.552 -36.376 1.00 0.00 C ATOM 1097 CG2 VAL A 69 5.417 -10.742 -37.342 1.00 0.00 C ATOM 0 H VAL A 69 4.430 -8.766 -35.227 1.00 0.00 H new ATOM 0 HA VAL A 69 5.217 -11.357 -34.884 1.00 0.00 H new ATOM 0 HB VAL A 69 6.254 -9.009 -36.430 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.102 -10.333 -37.373 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.326 -10.031 -35.634 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.772 -11.626 -36.196 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.830 -10.520 -38.326 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.405 -11.821 -37.189 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.400 -10.355 -37.280 1.00 0.00 H new ATOM 1107 N PRO A 70 7.500 -9.264 -33.656 1.00 0.00 N ATOM 1108 CA PRO A 70 8.625 -9.138 -32.724 1.00 0.00 C ATOM 1109 C PRO A 70 8.189 -9.277 -31.269 1.00 0.00 C ATOM 1110 O PRO A 70 8.965 -9.716 -30.419 1.00 0.00 O ATOM 1111 CB PRO A 70 9.150 -7.725 -32.991 1.00 0.00 C ATOM 1112 CG PRO A 70 7.979 -6.981 -33.533 1.00 0.00 C ATOM 1113 CD PRO A 70 7.173 -7.985 -34.310 1.00 0.00 C ATOM 0 HA PRO A 70 9.369 -9.920 -32.875 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.524 -7.263 -32.078 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.975 -7.737 -33.703 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.387 -6.545 -32.728 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.301 -6.160 -34.173 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.106 -7.769 -34.260 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.448 -7.991 -35.365 1.00 0.00 H new ATOM 1121 N ILE A 71 6.946 -8.903 -30.990 1.00 0.00 N ATOM 1122 CA ILE A 71 6.408 -8.988 -29.638 1.00 0.00 C ATOM 1123 C ILE A 71 6.220 -10.440 -29.212 1.00 0.00 C ATOM 1124 O ILE A 71 6.525 -10.811 -28.077 1.00 0.00 O ATOM 1125 CB ILE A 71 5.060 -8.252 -29.520 1.00 0.00 C ATOM 1126 CG1 ILE A 71 5.279 -6.738 -29.530 1.00 0.00 C ATOM 1127 CG2 ILE A 71 4.332 -8.680 -28.255 1.00 0.00 C ATOM 1128 CD1 ILE A 71 5.608 -6.184 -30.898 1.00 0.00 C ATOM 0 H ILE A 71 6.292 -8.538 -31.682 1.00 0.00 H new ATOM 0 HA ILE A 71 7.133 -8.509 -28.980 1.00 0.00 H new ATOM 0 HB ILE A 71 4.442 -8.516 -30.378 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.381 -6.247 -29.154 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.089 -6.492 -28.843 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.381 -8.151 -28.186 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.148 -9.754 -28.287 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.944 -8.442 -27.385 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.750 -5.105 -30.829 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.522 -6.648 -31.268 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.789 -6.399 -31.584 1.00 0.00 H new ATOM 1140 N LEU A 72 5.718 -11.260 -30.129 1.00 0.00 N ATOM 1141 CA LEU A 72 5.491 -12.674 -29.850 1.00 0.00 C ATOM 1142 C LEU A 72 6.813 -13.429 -29.754 1.00 0.00 C ATOM 1143 O LEU A 72 6.973 -14.316 -28.915 1.00 0.00 O ATOM 1144 CB LEU A 72 4.614 -13.294 -30.938 1.00 0.00 C ATOM 1145 CG LEU A 72 3.188 -12.752 -31.042 1.00 0.00 C ATOM 1146 CD1 LEU A 72 2.397 -13.526 -32.084 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.495 -12.813 -29.689 1.00 0.00 C ATOM 0 H LEU A 72 5.460 -10.970 -31.072 1.00 0.00 H new ATOM 0 HA LEU A 72 4.979 -12.752 -28.891 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.107 -13.150 -31.900 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.561 -14.369 -30.765 1.00 0.00 H new ATOM 0 HG LEU A 72 3.238 -11.709 -31.356 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.385 -13.126 -32.144 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.883 -13.430 -33.055 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.355 -14.578 -31.802 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.481 -12.423 -29.782 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.456 -13.847 -29.346 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.050 -12.212 -28.968 1.00 0.00 H new ATOM 1159 N SER A 73 7.758 -13.070 -30.617 1.00 0.00 N ATOM 1160 CA SER A 73 9.066 -13.714 -30.630 1.00 0.00 C ATOM 1161 C SER A 73 9.822 -13.436 -29.335 1.00 0.00 C ATOM 1162 O SER A 73 10.584 -14.276 -28.854 1.00 0.00 O ATOM 1163 CB SER A 73 9.885 -13.228 -31.827 1.00 0.00 C ATOM 1164 OG SER A 73 10.234 -14.306 -32.679 1.00 0.00 O ATOM 0 H SER A 73 7.642 -12.337 -31.316 1.00 0.00 H new ATOM 0 HA SER A 73 8.913 -14.790 -30.716 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.312 -12.489 -32.387 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.789 -12.731 -31.475 1.00 0.00 H new ATOM 0 HG SER A 73 10.755 -13.968 -33.437 1.00 0.00 H new ATOM 1170 N LYS A 74 9.607 -12.251 -28.774 1.00 0.00 N ATOM 1171 CA LYS A 74 10.265 -11.860 -27.534 1.00 0.00 C ATOM 1172 C LYS A 74 9.542 -12.446 -26.325 1.00 0.00 C ATOM 1173 O LYS A 74 10.165 -12.772 -25.314 1.00 0.00 O ATOM 1174 CB LYS A 74 10.319 -10.335 -27.420 1.00 0.00 C ATOM 1175 CG LYS A 74 10.779 -9.843 -26.058 1.00 0.00 C ATOM 1176 CD LYS A 74 10.775 -8.325 -25.983 1.00 0.00 C ATOM 1177 CE LYS A 74 12.187 -7.767 -25.903 1.00 0.00 C ATOM 1178 NZ LYS A 74 12.201 -6.280 -25.979 1.00 0.00 N ATOM 0 H LYS A 74 8.981 -11.544 -29.160 1.00 0.00 H new ATOM 0 HA LYS A 74 11.282 -12.253 -27.552 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.992 -9.945 -28.184 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.330 -9.928 -27.629 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.127 -10.248 -25.284 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.783 -10.216 -25.856 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.271 -7.918 -26.859 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.206 -8.004 -25.110 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.652 -8.087 -24.971 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.786 -8.178 -26.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.182 -5.939 -25.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.781 -5.974 -26.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.650 -5.887 -25.189 1.00 0.00 H new ATOM 1192 N LEU A 75 8.225 -12.578 -26.437 1.00 0.00 N ATOM 1193 CA LEU A 75 7.416 -13.126 -25.353 1.00 0.00 C ATOM 1194 C LEU A 75 7.579 -14.640 -25.265 1.00 0.00 C ATOM 1195 O LEU A 75 7.770 -15.192 -24.181 1.00 0.00 O ATOM 1196 CB LEU A 75 5.943 -12.771 -25.560 1.00 0.00 C ATOM 1197 CG LEU A 75 5.073 -12.757 -24.303 1.00 0.00 C ATOM 1198 CD1 LEU A 75 3.912 -11.789 -24.468 1.00 0.00 C ATOM 1199 CD2 LEU A 75 4.563 -14.157 -23.992 1.00 0.00 C ATOM 0 H LEU A 75 7.694 -12.313 -27.267 1.00 0.00 H new ATOM 0 HA LEU A 75 7.761 -12.687 -24.417 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.889 -11.787 -26.026 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.514 -13.482 -26.266 1.00 0.00 H new ATOM 0 HG LEU A 75 5.684 -12.420 -23.465 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.304 -11.793 -23.563 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.298 -10.784 -24.642 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.301 -12.095 -25.317 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.946 -14.128 -23.094 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.969 -14.522 -24.830 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.409 -14.825 -23.829 1.00 0.00 H new ATOM 1211 N SER A 76 7.504 -15.306 -26.413 1.00 0.00 N ATOM 1212 CA SER A 76 7.641 -16.757 -26.465 1.00 0.00 C ATOM 1213 C SER A 76 8.908 -17.209 -25.745 1.00 0.00 C ATOM 1214 O SER A 76 8.935 -18.271 -25.123 1.00 0.00 O ATOM 1215 CB SER A 76 7.667 -17.236 -27.918 1.00 0.00 C ATOM 1216 OG SER A 76 8.667 -18.222 -28.112 1.00 0.00 O ATOM 0 H SER A 76 7.349 -14.864 -27.319 1.00 0.00 H new ATOM 0 HA SER A 76 6.781 -17.197 -25.960 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.693 -17.644 -28.187 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.853 -16.390 -28.580 1.00 0.00 H new ATOM 0 HG SER A 76 8.662 -18.513 -29.048 1.00 0.00 H new ATOM 1222 N GLN A 77 9.954 -16.395 -25.836 1.00 0.00 N ATOM 1223 CA GLN A 77 11.225 -16.712 -25.194 1.00 0.00 C ATOM 1224 C GLN A 77 11.153 -16.461 -23.692 1.00 0.00 C ATOM 1225 O GLN A 77 11.735 -17.203 -22.901 1.00 0.00 O ATOM 1226 CB GLN A 77 12.352 -15.880 -25.809 1.00 0.00 C ATOM 1227 CG GLN A 77 13.047 -16.564 -26.975 1.00 0.00 C ATOM 1228 CD GLN A 77 14.487 -16.119 -27.139 1.00 0.00 C ATOM 1229 OE1 GLN A 77 15.403 -16.941 -27.175 1.00 0.00 O ATOM 1230 NE2 GLN A 77 14.694 -14.811 -27.240 1.00 0.00 N ATOM 0 H GLN A 77 9.947 -15.512 -26.347 1.00 0.00 H new ATOM 0 HA GLN A 77 11.433 -17.769 -25.358 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.946 -14.927 -26.148 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.089 -15.656 -25.038 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.019 -17.644 -26.827 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.499 -16.354 -27.894 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.905 -14.166 -27.205 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.642 -14.452 -27.352 1.00 0.00 H new ATOM 1239 N GLU A 78 10.437 -15.410 -23.306 1.00 0.00 N ATOM 1240 CA GLU A 78 10.291 -15.061 -21.897 1.00 0.00 C ATOM 1241 C GLU A 78 9.694 -16.223 -21.108 1.00 0.00 C ATOM 1242 O GLU A 78 10.069 -16.465 -19.960 1.00 0.00 O ATOM 1243 CB GLU A 78 9.408 -13.820 -21.745 1.00 0.00 C ATOM 1244 CG GLU A 78 10.194 -12.538 -21.529 1.00 0.00 C ATOM 1245 CD GLU A 78 10.267 -12.137 -20.069 1.00 0.00 C ATOM 1246 OE1 GLU A 78 9.313 -11.498 -19.580 1.00 0.00 O ATOM 1247 OE2 GLU A 78 11.280 -12.463 -19.415 1.00 0.00 O ATOM 0 H GLU A 78 9.949 -14.786 -23.948 1.00 0.00 H new ATOM 0 HA GLU A 78 11.282 -14.844 -21.498 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.791 -13.712 -22.637 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.730 -13.967 -20.904 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.204 -12.666 -21.918 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.732 -11.733 -22.100 1.00 0.00 H new