USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 720 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 Set 1.1: A 67 CYS SG : rot -43:sc= -1.2! USER MOD Set 1.2: A 70 CYS SG : rot -18:sc= 1.32 USER MOD Set 1.3: A 71 SER OG : rot 64:sc= 0.19 USER MOD Set 1.4: A 84 HIS : no HE2:sc= -1.94 K(o=-5.2,f=-3.7) USER MOD Set 1.5: A 101 CYS SG : rot 78:sc= -3.58! USER MOD Set 2.1: A 66 ASN : amide:sc= 0.583 K(o=-0.38,f=-7.1!) USER MOD Set 2.2: A 68 SER OG : rot 96:sc= 1.23 USER MOD Set 2.3: A 76 CYS SG : rot 169:sc= 1.23 USER MOD Set 2.4: A 78 ASN : amide:sc= -3.42! C(o=-0.38!,f=-4.7!) USER MOD Set 3.1: A 63 GLN : amide:sc= -0.992 K(o=-0.99,f=-0.0091) USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl -129:sc= -0.748 (180deg=-2.97!) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.0511 (180deg=-0.306) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 139:sc= -0.251 (180deg=-2.43!) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.13 (180deg=1.01) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 35 GLN : amide:sc= 0.72 K(o=0.72,f=-0.45) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.0057) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0182) USER MOD Single : A 49 MET CE :methyl -158:sc= -0.191 (180deg=-0.771) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 83:sc= 1.64 USER MOD Single : A 55 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0.24 (180deg=0.0969) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0.631 (180deg=0.0936) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 145:sc= -1.03 (180deg=-2.71!) USER MOD Single : A 90 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.4!) USER MOD Single : A 93 SER OG : rot 3:sc= 0.189 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -19.733 3.646 5.904 1.00 0.00 N ATOM 226 CA ASP A 16 -20.672 4.395 5.075 1.00 0.00 C ATOM 227 C ASP A 16 -19.984 5.586 4.427 1.00 0.00 C ATOM 228 O ASP A 16 -20.257 5.917 3.274 1.00 0.00 O ATOM 229 CB ASP A 16 -21.857 4.895 5.904 1.00 0.00 C ATOM 230 CG ASP A 16 -22.718 3.775 6.453 1.00 0.00 C ATOM 231 OD1 ASP A 16 -22.205 2.942 7.230 1.00 0.00 O ATOM 232 OD2 ASP A 16 -23.918 3.724 6.109 1.00 0.00 O ATOM 0 HA ASP A 16 -21.036 3.719 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.484 5.497 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.473 5.549 5.287 1.00 0.00 H new ATOM 237 N PHE A 17 -19.080 6.210 5.179 1.00 0.00 N ATOM 238 CA PHE A 17 -18.351 7.388 4.717 1.00 0.00 C ATOM 239 C PHE A 17 -17.747 7.164 3.333 1.00 0.00 C ATOM 240 O PHE A 17 -18.038 7.905 2.393 1.00 0.00 O ATOM 241 CB PHE A 17 -17.245 7.746 5.716 1.00 0.00 C ATOM 242 CG PHE A 17 -16.433 8.951 5.327 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.903 10.231 5.578 1.00 0.00 C ATOM 244 CD2 PHE A 17 -15.200 8.803 4.709 1.00 0.00 C ATOM 245 CE1 PHE A 17 -16.161 11.339 5.221 1.00 0.00 C ATOM 246 CE2 PHE A 17 -14.454 9.909 4.348 1.00 0.00 C ATOM 247 CZ PHE A 17 -14.935 11.179 4.605 1.00 0.00 C ATOM 0 H PHE A 17 -18.833 5.914 6.123 1.00 0.00 H new ATOM 0 HA PHE A 17 -19.060 8.213 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.696 7.925 6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.578 6.891 5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.861 10.363 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.819 7.813 4.508 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.539 12.330 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.496 9.781 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.353 12.045 4.325 1.00 0.00 H new ATOM 257 N GLN A 18 -16.925 6.129 3.208 1.00 0.00 N ATOM 258 CA GLN A 18 -16.220 5.878 1.962 1.00 0.00 C ATOM 259 C GLN A 18 -17.178 5.476 0.852 1.00 0.00 C ATOM 260 O GLN A 18 -16.916 5.746 -0.307 1.00 0.00 O ATOM 261 CB GLN A 18 -15.143 4.809 2.124 1.00 0.00 C ATOM 262 CG GLN A 18 -15.675 3.440 2.506 1.00 0.00 C ATOM 263 CD GLN A 18 -14.796 2.321 1.994 1.00 0.00 C ATOM 264 OE1 GLN A 18 -15.265 1.209 1.758 1.00 0.00 O ATOM 265 NE2 GLN A 18 -13.524 2.621 1.785 1.00 0.00 N ATOM 0 H GLN A 18 -16.733 5.456 3.950 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.736 6.815 1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.589 4.723 1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.434 5.136 2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.751 3.372 3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.682 3.320 2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.180 3.558 1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.888 1.916 1.413 1.00 0.00 H new ATOM 274 N LYS A 19 -18.288 4.838 1.199 1.00 0.00 N ATOM 275 CA LYS A 19 -19.238 4.386 0.189 1.00 0.00 C ATOM 276 C LYS A 19 -19.923 5.564 -0.493 1.00 0.00 C ATOM 277 O LYS A 19 -20.153 5.533 -1.699 1.00 0.00 O ATOM 278 CB LYS A 19 -20.264 3.424 0.791 1.00 0.00 C ATOM 279 CG LYS A 19 -19.679 2.087 1.249 1.00 0.00 C ATOM 280 CD LYS A 19 -19.244 1.188 0.086 1.00 0.00 C ATOM 281 CE LYS A 19 -17.853 1.533 -0.444 1.00 0.00 C ATOM 282 NZ LYS A 19 -17.338 0.506 -1.390 1.00 0.00 N ATOM 0 H LYS A 19 -18.552 4.623 2.161 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.678 3.844 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.743 3.908 1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.043 3.233 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.821 2.275 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.420 1.560 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.255 0.148 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.968 1.275 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.887 2.500 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.162 1.632 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.392 0.783 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.279 -0.413 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.982 0.429 -2.203 1.00 0.00 H new ATOM 296 N ARG A 20 -20.227 6.607 0.269 1.00 0.00 N ATOM 297 CA ARG A 20 -20.782 7.830 -0.311 1.00 0.00 C ATOM 298 C ARG A 20 -19.706 8.529 -1.112 1.00 0.00 C ATOM 299 O ARG A 20 -19.949 9.058 -2.195 1.00 0.00 O ATOM 300 CB ARG A 20 -21.280 8.771 0.779 1.00 0.00 C ATOM 301 CG ARG A 20 -21.947 8.051 1.923 1.00 0.00 C ATOM 302 CD ARG A 20 -22.495 9.018 2.958 1.00 0.00 C ATOM 303 NE ARG A 20 -23.345 8.349 3.941 1.00 0.00 N ATOM 304 CZ ARG A 20 -23.910 8.963 4.978 1.00 0.00 C ATOM 305 NH1 ARG A 20 -23.697 10.254 5.194 1.00 0.00 N ATOM 306 NH2 ARG A 20 -24.694 8.285 5.802 1.00 0.00 N ATOM 0 H ARG A 20 -20.101 6.634 1.281 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.622 7.562 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.440 9.350 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.984 9.481 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -22.758 7.432 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.231 7.380 2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.667 9.508 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.067 9.799 2.457 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.516 7.350 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.096 10.784 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.134 10.717 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.865 7.292 5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.127 8.755 6.597 1.00 0.00 H new ATOM 320 N LEU A 21 -18.512 8.521 -0.546 1.00 0.00 N ATOM 321 CA LEU A 21 -17.334 9.087 -1.199 1.00 0.00 C ATOM 322 C LEU A 21 -17.088 8.433 -2.566 1.00 0.00 C ATOM 323 O LEU A 21 -16.931 9.123 -3.570 1.00 0.00 O ATOM 324 CB LEU A 21 -16.115 8.920 -0.281 1.00 0.00 C ATOM 325 CG LEU A 21 -14.745 9.149 -0.925 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.673 10.519 -1.587 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.652 9.016 0.120 1.00 0.00 C ATOM 0 H LEU A 21 -18.327 8.125 0.375 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.504 10.149 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.220 9.611 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.134 7.912 0.133 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.599 8.392 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.689 10.655 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.438 10.590 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.840 11.294 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.681 9.180 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.807 9.756 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.682 8.016 0.553 1.00 0.00 H new ATOM 339 N GLU A 22 -17.097 7.107 -2.601 1.00 0.00 N ATOM 340 CA GLU A 22 -16.932 6.355 -3.844 1.00 0.00 C ATOM 341 C GLU A 22 -18.120 6.589 -4.773 1.00 0.00 C ATOM 342 O GLU A 22 -17.990 6.546 -5.995 1.00 0.00 O ATOM 343 CB GLU A 22 -16.823 4.856 -3.546 1.00 0.00 C ATOM 344 CG GLU A 22 -15.632 4.467 -2.681 1.00 0.00 C ATOM 345 CD GLU A 22 -14.321 4.464 -3.435 1.00 0.00 C ATOM 346 OE1 GLU A 22 -13.978 3.416 -4.024 1.00 0.00 O ATOM 347 OE2 GLU A 22 -13.617 5.492 -3.420 1.00 0.00 O ATOM 0 H GLU A 22 -17.218 6.522 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.019 6.701 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.737 4.530 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.762 4.315 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.559 5.159 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.804 3.476 -2.262 1.00 0.00 H new ATOM 354 N GLN A 23 -19.277 6.827 -4.170 1.00 0.00 N ATOM 355 CA GLN A 23 -20.519 7.006 -4.904 1.00 0.00 C ATOM 356 C GLN A 23 -20.511 8.326 -5.668 1.00 0.00 C ATOM 357 O GLN A 23 -20.736 8.354 -6.879 1.00 0.00 O ATOM 358 CB GLN A 23 -21.691 6.961 -3.925 1.00 0.00 C ATOM 359 CG GLN A 23 -23.024 6.612 -4.557 1.00 0.00 C ATOM 360 CD GLN A 23 -24.086 6.339 -3.511 1.00 0.00 C ATOM 361 OE1 GLN A 23 -24.815 7.241 -3.097 1.00 0.00 O ATOM 362 NE2 GLN A 23 -24.165 5.096 -3.054 1.00 0.00 N ATOM 0 H GLN A 23 -19.379 6.901 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.623 6.201 -5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.470 6.231 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.778 7.932 -3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.348 7.431 -5.199 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.906 5.735 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.543 4.377 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.848 4.860 -2.334 1.00 0.00 H new ATOM 371 N MET A 24 -20.238 9.420 -4.963 1.00 0.00 N ATOM 372 CA MET A 24 -20.175 10.729 -5.602 1.00 0.00 C ATOM 373 C MET A 24 -18.977 10.811 -6.542 1.00 0.00 C ATOM 374 O MET A 24 -19.056 11.422 -7.607 1.00 0.00 O ATOM 375 CB MET A 24 -20.118 11.855 -4.565 1.00 0.00 C ATOM 376 CG MET A 24 -18.925 11.788 -3.628 1.00 0.00 C ATOM 377 SD MET A 24 -18.906 13.143 -2.438 1.00 0.00 S ATOM 378 CE MET A 24 -18.826 14.560 -3.530 1.00 0.00 C ATOM 0 H MET A 24 -20.059 9.426 -3.959 1.00 0.00 H new ATOM 0 HA MET A 24 -21.087 10.856 -6.185 1.00 0.00 H new ATOM 0 HB2 MET A 24 -20.101 12.812 -5.087 1.00 0.00 H new ATOM 0 HB3 MET A 24 -21.032 11.832 -3.971 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.940 10.839 -3.093 1.00 0.00 H new ATOM 0 HG3 MET A 24 -18.006 11.809 -4.213 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.011 15.213 -3.219 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.651 14.223 -4.552 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.767 15.108 -3.485 1.00 0.00 H new ATOM 388 N LYS A 25 -17.875 10.179 -6.145 1.00 0.00 N ATOM 389 CA LYS A 25 -16.687 10.094 -6.987 1.00 0.00 C ATOM 390 C LYS A 25 -17.038 9.425 -8.311 1.00 0.00 C ATOM 391 O LYS A 25 -16.614 9.866 -9.380 1.00 0.00 O ATOM 392 CB LYS A 25 -15.590 9.293 -6.276 1.00 0.00 C ATOM 393 CG LYS A 25 -14.275 9.226 -7.035 1.00 0.00 C ATOM 394 CD LYS A 25 -13.561 10.567 -7.047 1.00 0.00 C ATOM 395 CE LYS A 25 -12.245 10.487 -7.807 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.335 9.451 -7.245 1.00 0.00 N ATOM 0 H LYS A 25 -17.781 9.717 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.320 11.102 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.409 9.736 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.950 8.278 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.630 8.475 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.463 8.905 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.203 11.319 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.373 10.890 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.445 10.263 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.750 11.458 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.377 9.586 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.310 9.536 -6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.682 8.506 -7.506 1.00 0.00 H new ATOM 410 N GLU A 26 -17.836 8.367 -8.218 1.00 0.00 N ATOM 411 CA GLU A 26 -18.272 7.617 -9.383 1.00 0.00 C ATOM 412 C GLU A 26 -19.101 8.512 -10.298 1.00 0.00 C ATOM 413 O GLU A 26 -18.856 8.588 -11.497 1.00 0.00 O ATOM 414 CB GLU A 26 -19.108 6.416 -8.942 1.00 0.00 C ATOM 415 CG GLU A 26 -19.092 5.261 -9.923 1.00 0.00 C ATOM 416 CD GLU A 26 -17.769 4.529 -9.916 1.00 0.00 C ATOM 417 OE1 GLU A 26 -16.818 4.995 -10.574 1.00 0.00 O ATOM 418 OE2 GLU A 26 -17.672 3.474 -9.254 1.00 0.00 O ATOM 0 H GLU A 26 -18.196 8.008 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.395 7.265 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.741 6.065 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.138 6.739 -8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.893 4.564 -9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.294 5.635 -10.927 1.00 0.00 H new ATOM 425 N LYS A 27 -20.072 9.197 -9.705 1.00 0.00 N ATOM 426 CA LYS A 27 -20.953 10.103 -10.434 1.00 0.00 C ATOM 427 C LYS A 27 -20.159 11.139 -11.214 1.00 0.00 C ATOM 428 O LYS A 27 -20.406 11.361 -12.400 1.00 0.00 O ATOM 429 CB LYS A 27 -21.898 10.820 -9.469 1.00 0.00 C ATOM 430 CG LYS A 27 -23.048 9.960 -8.967 1.00 0.00 C ATOM 431 CD LYS A 27 -24.000 9.584 -10.094 1.00 0.00 C ATOM 432 CE LYS A 27 -24.562 10.816 -10.791 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.560 10.464 -11.836 1.00 0.00 N ATOM 0 H LYS A 27 -20.271 9.140 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.530 9.502 -11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.324 11.175 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.307 11.700 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.652 9.055 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.595 10.498 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -23.477 8.962 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.819 8.987 -9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.027 11.469 -10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -23.746 11.378 -11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.915 11.333 -12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.111 9.862 -12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.352 9.950 -11.400 1.00 0.00 H new ATOM 447 N VAL A 28 -19.207 11.769 -10.538 1.00 0.00 N ATOM 448 CA VAL A 28 -18.393 12.807 -11.150 1.00 0.00 C ATOM 449 C VAL A 28 -17.600 12.258 -12.335 1.00 0.00 C ATOM 450 O VAL A 28 -17.577 12.860 -13.404 1.00 0.00 O ATOM 451 CB VAL A 28 -17.427 13.445 -10.125 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.550 14.493 -10.789 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.195 14.068 -8.972 1.00 0.00 C ATOM 0 H VAL A 28 -18.980 11.577 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 28 -19.075 13.578 -11.510 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.790 12.653 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.879 14.928 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.964 14.028 -11.581 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.178 15.276 -11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.494 14.510 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.861 14.842 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.782 13.300 -8.469 1.00 0.00 H new ATOM 463 N MET A 29 -16.985 11.092 -12.163 1.00 0.00 N ATOM 464 CA MET A 29 -16.147 10.527 -13.219 1.00 0.00 C ATOM 465 C MET A 29 -16.983 9.787 -14.257 1.00 0.00 C ATOM 466 O MET A 29 -16.444 9.196 -15.184 1.00 0.00 O ATOM 467 CB MET A 29 -15.081 9.583 -12.648 1.00 0.00 C ATOM 468 CG MET A 29 -15.649 8.328 -11.993 1.00 0.00 C ATOM 469 SD MET A 29 -14.386 7.102 -11.608 1.00 0.00 S ATOM 470 CE MET A 29 -13.287 8.052 -10.563 1.00 0.00 C ATOM 0 H MET A 29 -17.048 10.526 -11.317 1.00 0.00 H new ATOM 0 HA MET A 29 -15.646 11.365 -13.704 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.405 9.287 -13.450 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.486 10.126 -11.914 1.00 0.00 H new ATOM 0 HG2 MET A 29 -16.169 8.607 -11.076 1.00 0.00 H new ATOM 0 HG3 MET A 29 -16.390 7.882 -12.656 1.00 0.00 H new ATOM 0 HE1 MET A 29 -12.955 7.435 -9.728 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.422 8.375 -11.143 1.00 0.00 H new ATOM 0 HE3 MET A 29 -13.814 8.926 -10.180 1.00 0.00 H new ATOM 480 N LYS A 30 -18.295 9.821 -14.101 1.00 0.00 N ATOM 481 CA LYS A 30 -19.184 9.187 -15.063 1.00 0.00 C ATOM 482 C LYS A 30 -19.884 10.228 -15.926 1.00 0.00 C ATOM 483 O LYS A 30 -20.600 9.885 -16.869 1.00 0.00 O ATOM 484 CB LYS A 30 -20.220 8.317 -14.350 1.00 0.00 C ATOM 485 CG LYS A 30 -19.901 6.828 -14.377 1.00 0.00 C ATOM 486 CD LYS A 30 -18.541 6.517 -13.773 1.00 0.00 C ATOM 487 CE LYS A 30 -18.295 5.020 -13.711 1.00 0.00 C ATOM 488 NZ LYS A 30 -16.948 4.693 -13.173 1.00 0.00 N ATOM 0 H LYS A 30 -18.768 10.278 -13.322 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.577 8.553 -15.709 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.301 8.642 -13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.194 8.478 -14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.671 6.284 -13.831 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.929 6.472 -15.407 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.760 6.992 -14.367 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.481 6.940 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.057 4.554 -13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.398 4.595 -14.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.772 3.673 -13.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.225 5.223 -13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.903 4.953 -12.167 1.00 0.00 H new ATOM 502 N ASP A 31 -19.688 11.500 -15.600 1.00 0.00 N ATOM 503 CA ASP A 31 -20.299 12.578 -16.365 1.00 0.00 C ATOM 504 C ASP A 31 -19.428 12.943 -17.564 1.00 0.00 C ATOM 505 O ASP A 31 -18.230 13.181 -17.420 1.00 0.00 O ATOM 506 CB ASP A 31 -20.525 13.812 -15.494 1.00 0.00 C ATOM 507 CG ASP A 31 -21.352 14.862 -16.207 1.00 0.00 C ATOM 508 OD1 ASP A 31 -20.779 15.667 -16.964 1.00 0.00 O ATOM 509 OD2 ASP A 31 -22.588 14.877 -16.023 1.00 0.00 O ATOM 0 H ASP A 31 -19.114 11.808 -14.815 1.00 0.00 H new ATOM 0 HA ASP A 31 -21.267 12.225 -16.721 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -21.027 13.519 -14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.562 14.238 -15.211 1.00 0.00 H new ATOM 514 N GLN A 32 -20.042 12.996 -18.739 1.00 0.00 N ATOM 515 CA GLN A 32 -19.318 13.219 -19.989 1.00 0.00 C ATOM 516 C GLN A 32 -18.677 14.614 -20.026 1.00 0.00 C ATOM 517 O GLN A 32 -17.564 14.785 -20.532 1.00 0.00 O ATOM 518 CB GLN A 32 -20.269 13.042 -21.181 1.00 0.00 C ATOM 519 CG GLN A 32 -21.147 14.253 -21.453 1.00 0.00 C ATOM 520 CD GLN A 32 -22.332 13.955 -22.344 1.00 0.00 C ATOM 521 OE1 GLN A 32 -22.306 13.034 -23.161 1.00 0.00 O ATOM 522 NE2 GLN A 32 -23.374 14.756 -22.206 1.00 0.00 N ATOM 0 H GLN A 32 -21.049 12.887 -18.855 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.517 12.483 -20.052 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.681 12.824 -22.073 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -20.906 12.177 -20.999 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -21.508 14.650 -20.504 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.542 15.033 -21.916 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -23.352 15.507 -21.516 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -24.200 14.623 -22.790 1.00 0.00 H new ATOM 531 N ASP A 33 -19.377 15.595 -19.467 1.00 0.00 N ATOM 532 CA ASP A 33 -18.926 16.983 -19.499 1.00 0.00 C ATOM 533 C ASP A 33 -17.748 17.167 -18.561 1.00 0.00 C ATOM 534 O ASP A 33 -16.803 17.897 -18.867 1.00 0.00 O ATOM 535 CB ASP A 33 -20.058 17.937 -19.103 1.00 0.00 C ATOM 536 CG ASP A 33 -21.234 17.881 -20.060 1.00 0.00 C ATOM 537 OD1 ASP A 33 -21.965 16.866 -20.054 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.445 18.859 -20.798 1.00 0.00 O ATOM 0 H ASP A 33 -20.264 15.454 -18.983 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.619 17.218 -20.518 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.401 17.690 -18.098 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.673 18.956 -19.067 1.00 0.00 H new ATOM 543 N VAL A 34 -17.821 16.502 -17.416 1.00 0.00 N ATOM 544 CA VAL A 34 -16.721 16.482 -16.464 1.00 0.00 C ATOM 545 C VAL A 34 -15.444 15.984 -17.133 1.00 0.00 C ATOM 546 O VAL A 34 -14.398 16.627 -17.055 1.00 0.00 O ATOM 547 CB VAL A 34 -17.060 15.586 -15.249 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.820 15.268 -14.427 1.00 0.00 C ATOM 549 CG2 VAL A 34 -18.116 16.253 -14.381 1.00 0.00 C ATOM 0 H VAL A 34 -18.638 15.966 -17.123 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.563 17.502 -16.112 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.456 14.644 -15.628 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.096 14.637 -13.582 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.095 14.744 -15.050 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.380 16.195 -14.059 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.345 15.612 -13.530 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.740 17.211 -14.023 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -19.020 16.414 -14.968 1.00 0.00 H new ATOM 559 N GLN A 35 -15.553 14.855 -17.819 1.00 0.00 N ATOM 560 CA GLN A 35 -14.410 14.238 -18.490 1.00 0.00 C ATOM 561 C GLN A 35 -13.846 15.158 -19.552 1.00 0.00 C ATOM 562 O GLN A 35 -12.631 15.282 -19.703 1.00 0.00 O ATOM 563 CB GLN A 35 -14.834 12.921 -19.122 1.00 0.00 C ATOM 564 CG GLN A 35 -15.592 12.049 -18.155 1.00 0.00 C ATOM 565 CD GLN A 35 -15.853 10.661 -18.681 1.00 0.00 C ATOM 566 OE1 GLN A 35 -15.998 10.447 -19.887 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.923 9.711 -17.770 1.00 0.00 N ATOM 0 H GLN A 35 -16.428 14.342 -17.928 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.634 14.053 -17.748 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.456 13.121 -19.994 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.952 12.388 -19.476 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.030 11.977 -17.224 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.543 12.525 -17.917 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.796 9.939 -16.784 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.104 8.747 -18.051 1.00 0.00 H new ATOM 576 N ALA A 36 -14.742 15.803 -20.280 1.00 0.00 N ATOM 577 CA ALA A 36 -14.352 16.773 -21.295 1.00 0.00 C ATOM 578 C ALA A 36 -13.504 17.885 -20.682 1.00 0.00 C ATOM 579 O ALA A 36 -12.497 18.295 -21.254 1.00 0.00 O ATOM 580 CB ALA A 36 -15.579 17.363 -21.974 1.00 0.00 C ATOM 0 H ALA A 36 -15.749 15.673 -20.188 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.755 16.255 -22.045 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.266 18.085 -22.728 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.150 16.566 -22.450 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.201 17.862 -21.231 1.00 0.00 H new ATOM 586 N PHE A 37 -13.906 18.350 -19.504 1.00 0.00 N ATOM 587 CA PHE A 37 -13.159 19.379 -18.791 1.00 0.00 C ATOM 588 C PHE A 37 -11.831 18.840 -18.271 1.00 0.00 C ATOM 589 O PHE A 37 -10.810 19.532 -18.316 1.00 0.00 O ATOM 590 CB PHE A 37 -13.986 19.926 -17.631 1.00 0.00 C ATOM 591 CG PHE A 37 -13.216 20.850 -16.729 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.766 22.079 -17.187 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.954 20.495 -15.417 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.072 22.934 -16.351 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.262 21.344 -14.579 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.821 22.566 -15.045 1.00 0.00 C ATOM 0 H PHE A 37 -14.746 18.030 -19.022 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.948 20.185 -19.494 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.850 20.457 -18.030 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.368 19.092 -17.043 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.960 22.372 -18.208 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.296 19.541 -15.045 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.727 23.889 -16.720 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.065 21.053 -13.558 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.281 23.233 -14.389 1.00 0.00 H new ATOM 606 N LEU A 38 -11.850 17.609 -17.776 1.00 0.00 N ATOM 607 CA LEU A 38 -10.647 16.976 -17.246 1.00 0.00 C ATOM 608 C LEU A 38 -9.539 16.926 -18.290 1.00 0.00 C ATOM 609 O LEU A 38 -8.389 17.212 -17.986 1.00 0.00 O ATOM 610 CB LEU A 38 -10.944 15.560 -16.744 1.00 0.00 C ATOM 611 CG LEU A 38 -11.093 15.417 -15.226 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.872 15.979 -14.513 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.359 16.102 -14.737 1.00 0.00 C ATOM 0 H LEU A 38 -12.687 17.027 -17.730 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.309 17.585 -16.408 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.862 15.211 -17.216 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.143 14.900 -17.077 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.171 14.355 -14.993 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.997 15.868 -13.436 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.982 15.437 -14.833 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.761 17.035 -14.759 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.441 15.986 -13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.318 17.162 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.226 15.649 -15.218 1.00 0.00 H new ATOM 625 N LYS A 39 -9.889 16.574 -19.520 1.00 0.00 N ATOM 626 CA LYS A 39 -8.897 16.489 -20.590 1.00 0.00 C ATOM 627 C LYS A 39 -8.648 17.857 -21.219 1.00 0.00 C ATOM 628 O LYS A 39 -7.647 18.070 -21.905 1.00 0.00 O ATOM 629 CB LYS A 39 -9.325 15.471 -21.648 1.00 0.00 C ATOM 630 CG LYS A 39 -10.690 15.733 -22.258 1.00 0.00 C ATOM 631 CD LYS A 39 -11.141 14.556 -23.107 1.00 0.00 C ATOM 632 CE LYS A 39 -12.509 14.793 -23.724 1.00 0.00 C ATOM 633 NZ LYS A 39 -13.014 13.584 -24.426 1.00 0.00 N ATOM 0 H LYS A 39 -10.842 16.344 -19.803 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.959 16.148 -20.151 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.581 15.459 -22.445 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.326 14.478 -21.199 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.417 15.915 -21.467 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.652 16.634 -22.870 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.412 14.378 -23.898 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.171 13.656 -22.493 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.214 15.082 -22.945 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.452 15.624 -24.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.949 13.785 -24.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.354 13.323 -25.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.093 12.798 -23.750 1.00 0.00 H new ATOM 647 N GLU A 40 -9.572 18.772 -20.987 1.00 0.00 N ATOM 648 CA GLU A 40 -9.413 20.160 -21.416 1.00 0.00 C ATOM 649 C GLU A 40 -8.282 20.819 -20.644 1.00 0.00 C ATOM 650 O GLU A 40 -7.351 21.375 -21.222 1.00 0.00 O ATOM 651 CB GLU A 40 -10.713 20.938 -21.182 1.00 0.00 C ATOM 652 CG GLU A 40 -10.692 22.372 -21.702 1.00 0.00 C ATOM 653 CD GLU A 40 -12.017 23.088 -21.511 1.00 0.00 C ATOM 654 OE1 GLU A 40 -12.230 23.688 -20.435 1.00 0.00 O ATOM 655 OE2 GLU A 40 -12.846 23.063 -22.443 1.00 0.00 O ATOM 0 H GLU A 40 -10.448 18.582 -20.501 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.176 20.170 -22.480 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.533 20.403 -21.660 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.924 20.955 -20.113 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.907 22.928 -21.189 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.438 22.365 -22.762 1.00 0.00 H new ATOM 662 N ASN A 41 -8.370 20.728 -19.330 1.00 0.00 N ATOM 663 CA ASN A 41 -7.404 21.369 -18.447 1.00 0.00 C ATOM 664 C ASN A 41 -6.553 20.329 -17.735 1.00 0.00 C ATOM 665 O ASN A 41 -6.119 20.544 -16.604 1.00 0.00 O ATOM 666 CB ASN A 41 -8.129 22.237 -17.414 1.00 0.00 C ATOM 667 CG ASN A 41 -8.690 23.515 -18.012 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.042 24.560 -17.996 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.901 23.442 -18.545 1.00 0.00 N ATOM 0 H ASN A 41 -9.105 20.213 -18.845 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.753 21.998 -19.053 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.941 21.662 -16.968 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.439 22.490 -16.609 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.326 24.271 -18.961 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.408 22.557 -18.540 1.00 0.00 H new ATOM 676 N GLU A 42 -6.289 19.218 -18.416 1.00 0.00 N ATOM 677 CA GLU A 42 -5.565 18.092 -17.818 1.00 0.00 C ATOM 678 C GLU A 42 -4.210 18.513 -17.256 1.00 0.00 C ATOM 679 O GLU A 42 -3.751 17.973 -16.252 1.00 0.00 O ATOM 680 CB GLU A 42 -5.372 16.971 -18.842 1.00 0.00 C ATOM 681 CG GLU A 42 -4.623 17.404 -20.087 1.00 0.00 C ATOM 682 CD GLU A 42 -4.187 16.233 -20.940 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.322 15.453 -20.487 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.678 16.099 -22.076 1.00 0.00 O ATOM 0 H GLU A 42 -6.565 19.069 -19.387 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.173 17.728 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.832 16.150 -18.371 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.349 16.584 -19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.259 18.063 -20.678 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.747 17.983 -19.796 1.00 0.00 H new ATOM 691 N GLU A 43 -3.577 19.484 -17.897 1.00 0.00 N ATOM 692 CA GLU A 43 -2.252 19.931 -17.490 1.00 0.00 C ATOM 693 C GLU A 43 -2.337 20.919 -16.329 1.00 0.00 C ATOM 694 O GLU A 43 -1.395 21.067 -15.552 1.00 0.00 O ATOM 695 CB GLU A 43 -1.537 20.569 -18.680 1.00 0.00 C ATOM 696 CG GLU A 43 -0.071 20.879 -18.434 1.00 0.00 C ATOM 697 CD GLU A 43 0.585 21.517 -19.637 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.531 22.755 -19.761 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.144 20.782 -20.474 1.00 0.00 O ATOM 0 H GLU A 43 -3.960 19.979 -18.703 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.684 19.065 -17.150 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.616 19.901 -19.538 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.052 21.492 -18.946 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.019 21.546 -17.576 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.456 19.959 -18.180 1.00 0.00 H new ATOM 706 N VAL A 44 -3.480 21.571 -16.201 1.00 0.00 N ATOM 707 CA VAL A 44 -3.653 22.611 -15.197 1.00 0.00 C ATOM 708 C VAL A 44 -4.212 22.023 -13.907 1.00 0.00 C ATOM 709 O VAL A 44 -3.770 22.362 -12.806 1.00 0.00 O ATOM 710 CB VAL A 44 -4.598 23.717 -15.708 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.590 24.914 -14.769 1.00 0.00 C ATOM 712 CG2 VAL A 44 -4.213 24.132 -17.118 1.00 0.00 C ATOM 0 H VAL A 44 -4.303 21.400 -16.779 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.674 23.047 -14.998 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.612 23.318 -15.732 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.264 25.681 -15.151 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.920 24.601 -13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.580 25.319 -14.704 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.889 24.913 -17.465 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.191 24.510 -17.120 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.283 23.271 -17.783 1.00 0.00 H new ATOM 722 N ILE A 45 -5.172 21.126 -14.061 1.00 0.00 N ATOM 723 CA ILE A 45 -5.831 20.495 -12.930 1.00 0.00 C ATOM 724 C ILE A 45 -4.902 19.483 -12.265 1.00 0.00 C ATOM 725 O ILE A 45 -4.078 18.852 -12.929 1.00 0.00 O ATOM 726 CB ILE A 45 -7.130 19.788 -13.376 1.00 0.00 C ATOM 727 CG1 ILE A 45 -8.066 20.786 -14.055 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.829 19.133 -12.190 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.256 20.134 -14.714 1.00 0.00 C ATOM 0 H ILE A 45 -5.515 20.816 -14.970 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.083 21.276 -12.212 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.866 19.007 -14.089 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.418 21.505 -13.315 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.507 21.347 -14.804 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.741 18.642 -12.531 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.166 18.395 -11.739 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.081 19.893 -11.451 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.880 20.899 -15.177 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.912 19.435 -15.477 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.837 19.596 -13.965 1.00 0.00 H new ATOM 741 N ASP A 46 -5.023 19.348 -10.956 1.00 0.00 N ATOM 742 CA ASP A 46 -4.247 18.372 -10.213 1.00 0.00 C ATOM 743 C ASP A 46 -5.185 17.414 -9.502 1.00 0.00 C ATOM 744 O ASP A 46 -6.361 17.716 -9.307 1.00 0.00 O ATOM 745 CB ASP A 46 -3.352 19.061 -9.183 1.00 0.00 C ATOM 746 CG ASP A 46 -2.333 18.123 -8.567 1.00 0.00 C ATOM 747 OD1 ASP A 46 -1.243 17.953 -9.150 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.614 17.558 -7.493 1.00 0.00 O ATOM 0 H ASP A 46 -5.656 19.906 -10.383 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.616 17.825 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.832 19.892 -9.659 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.974 19.484 -8.394 1.00 0.00 H new ATOM 753 N GLN A 47 -4.657 16.274 -9.113 1.00 0.00 N ATOM 754 CA GLN A 47 -5.406 15.286 -8.349 1.00 0.00 C ATOM 755 C GLN A 47 -5.874 15.867 -7.018 1.00 0.00 C ATOM 756 O GLN A 47 -6.990 15.596 -6.561 1.00 0.00 O ATOM 757 CB GLN A 47 -4.527 14.066 -8.126 1.00 0.00 C ATOM 758 CG GLN A 47 -4.376 13.210 -9.372 1.00 0.00 C ATOM 759 CD GLN A 47 -3.212 12.248 -9.285 1.00 0.00 C ATOM 760 OE1 GLN A 47 -3.347 11.121 -8.812 1.00 0.00 O ATOM 761 NE2 GLN A 47 -2.060 12.685 -9.759 1.00 0.00 N ATOM 0 H GLN A 47 -3.695 16.001 -9.315 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.295 14.996 -8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.541 14.391 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.951 13.461 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.295 12.647 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.242 13.858 -10.238 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.991 13.627 -10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.239 12.080 -9.741 1.00 0.00 H new ATOM 770 N LYS A 48 -5.023 16.686 -6.407 1.00 0.00 N ATOM 771 CA LYS A 48 -5.385 17.378 -5.178 1.00 0.00 C ATOM 772 C LYS A 48 -6.538 18.334 -5.435 1.00 0.00 C ATOM 773 O LYS A 48 -7.426 18.491 -4.608 1.00 0.00 O ATOM 774 CB LYS A 48 -4.194 18.151 -4.612 1.00 0.00 C ATOM 775 CG LYS A 48 -3.092 17.268 -4.042 1.00 0.00 C ATOM 776 CD LYS A 48 -3.605 16.354 -2.935 1.00 0.00 C ATOM 777 CE LYS A 48 -4.228 17.132 -1.783 1.00 0.00 C ATOM 778 NZ LYS A 48 -3.260 18.042 -1.114 1.00 0.00 N ATOM 0 H LYS A 48 -4.081 16.885 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.691 16.629 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.773 18.776 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.549 18.821 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.663 16.663 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.291 17.895 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.344 15.667 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.782 15.748 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.069 17.715 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.627 16.431 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.712 18.482 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.429 17.499 -0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.962 18.782 -1.781 1.00 0.00 H new ATOM 792 N MET A 49 -6.518 18.964 -6.595 1.00 0.00 N ATOM 793 CA MET A 49 -7.584 19.868 -6.992 1.00 0.00 C ATOM 794 C MET A 49 -8.898 19.110 -7.139 1.00 0.00 C ATOM 795 O MET A 49 -9.971 19.652 -6.877 1.00 0.00 O ATOM 796 CB MET A 49 -7.228 20.544 -8.314 1.00 0.00 C ATOM 797 CG MET A 49 -8.108 21.725 -8.649 1.00 0.00 C ATOM 798 SD MET A 49 -7.612 22.538 -10.181 1.00 0.00 S ATOM 799 CE MET A 49 -5.969 23.109 -9.750 1.00 0.00 C ATOM 0 H MET A 49 -5.771 18.866 -7.283 1.00 0.00 H new ATOM 0 HA MET A 49 -7.701 20.627 -6.219 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.190 20.875 -8.275 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.298 19.811 -9.117 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.142 21.391 -8.736 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.073 22.445 -7.831 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.688 23.935 -10.404 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.962 23.448 -8.714 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.257 22.292 -9.870 1.00 0.00 H new ATOM 809 N ILE A 50 -8.796 17.851 -7.553 1.00 0.00 N ATOM 810 CA ILE A 50 -9.964 17.003 -7.751 1.00 0.00 C ATOM 811 C ILE A 50 -10.723 16.791 -6.446 1.00 0.00 C ATOM 812 O ILE A 50 -11.921 17.052 -6.379 1.00 0.00 O ATOM 813 CB ILE A 50 -9.572 15.635 -8.350 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.021 15.810 -9.769 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.758 14.679 -8.348 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.005 16.442 -10.733 1.00 0.00 C ATOM 0 H ILE A 50 -7.908 17.393 -7.759 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.615 17.520 -8.456 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.790 15.202 -7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.122 16.425 -9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.723 14.836 -10.156 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.455 13.723 -8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.101 14.527 -7.325 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.567 15.102 -8.943 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.544 16.533 -11.716 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.895 15.817 -10.806 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.285 17.431 -10.371 1.00 0.00 H new ATOM 828 N GLU A 51 -10.029 16.320 -5.414 1.00 0.00 N ATOM 829 CA GLU A 51 -10.658 16.089 -4.119 1.00 0.00 C ATOM 830 C GLU A 51 -11.228 17.375 -3.530 1.00 0.00 C ATOM 831 O GLU A 51 -12.362 17.402 -3.053 1.00 0.00 O ATOM 832 CB GLU A 51 -9.665 15.471 -3.141 1.00 0.00 C ATOM 833 CG GLU A 51 -8.282 16.090 -3.153 1.00 0.00 C ATOM 834 CD GLU A 51 -7.533 15.850 -1.858 1.00 0.00 C ATOM 835 OE1 GLU A 51 -6.977 14.748 -1.677 1.00 0.00 O ATOM 836 OE2 GLU A 51 -7.511 16.762 -1.006 1.00 0.00 O ATOM 0 H GLU A 51 -9.035 16.092 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.483 15.395 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.073 15.551 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.572 14.408 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.709 15.677 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.368 17.163 -3.327 1.00 0.00 H new ATOM 843 N LYS A 52 -10.430 18.428 -3.559 1.00 0.00 N ATOM 844 CA LYS A 52 -10.854 19.732 -3.050 1.00 0.00 C ATOM 845 C LYS A 52 -12.137 20.185 -3.741 1.00 0.00 C ATOM 846 O LYS A 52 -13.106 20.582 -3.096 1.00 0.00 O ATOM 847 CB LYS A 52 -9.765 20.790 -3.281 1.00 0.00 C ATOM 848 CG LYS A 52 -8.419 20.454 -2.664 1.00 0.00 C ATOM 849 CD LYS A 52 -8.455 20.478 -1.146 1.00 0.00 C ATOM 850 CE LYS A 52 -7.101 20.105 -0.569 1.00 0.00 C ATOM 851 NZ LYS A 52 -7.057 20.254 0.907 1.00 0.00 N ATOM 0 H LYS A 52 -9.480 18.411 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.032 19.626 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.634 20.930 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.109 21.742 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.104 19.467 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.673 21.165 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.742 21.471 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.213 19.783 -0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.867 19.074 -0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.332 20.733 -1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.114 19.988 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.254 21.243 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.772 19.636 1.340 1.00 0.00 H new ATOM 865 N SER A 53 -12.141 20.086 -5.061 1.00 0.00 N ATOM 866 CA SER A 53 -13.238 20.602 -5.865 1.00 0.00 C ATOM 867 C SER A 53 -14.268 19.519 -6.169 1.00 0.00 C ATOM 868 O SER A 53 -15.126 19.707 -7.025 1.00 0.00 O ATOM 869 CB SER A 53 -12.689 21.177 -7.168 1.00 0.00 C ATOM 870 OG SER A 53 -11.554 21.992 -6.919 1.00 0.00 O ATOM 0 H SER A 53 -11.393 19.651 -5.601 1.00 0.00 H new ATOM 0 HA SER A 53 -13.737 21.386 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.419 20.366 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.461 21.763 -7.666 1.00 0.00 H new ATOM 0 HG SER A 53 -10.757 21.428 -6.842 1.00 0.00 H new ATOM 876 N LEU A 54 -14.183 18.397 -5.460 1.00 0.00 N ATOM 877 CA LEU A 54 -15.123 17.295 -5.636 1.00 0.00 C ATOM 878 C LEU A 54 -16.548 17.789 -5.474 1.00 0.00 C ATOM 879 O LEU A 54 -17.426 17.500 -6.287 1.00 0.00 O ATOM 880 CB LEU A 54 -14.855 16.209 -4.598 1.00 0.00 C ATOM 881 CG LEU A 54 -14.627 14.807 -5.164 1.00 0.00 C ATOM 882 CD1 LEU A 54 -14.434 13.801 -4.042 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.782 14.389 -6.058 1.00 0.00 C ATOM 0 H LEU A 54 -13.467 18.227 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.991 16.887 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.979 16.495 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.699 16.172 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.720 14.831 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.273 12.810 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.568 14.085 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.322 13.786 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.596 13.388 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.707 14.388 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.873 15.091 -6.887 1.00 0.00 H new ATOM 895 N ASN A 55 -16.748 18.541 -4.406 1.00 0.00 N ATOM 896 CA ASN A 55 -18.035 19.151 -4.106 1.00 0.00 C ATOM 897 C ASN A 55 -18.507 20.016 -5.270 1.00 0.00 C ATOM 898 O ASN A 55 -19.681 19.997 -5.636 1.00 0.00 O ATOM 899 CB ASN A 55 -17.926 20.000 -2.838 1.00 0.00 C ATOM 900 CG ASN A 55 -17.609 19.182 -1.599 1.00 0.00 C ATOM 901 OD1 ASN A 55 -18.506 18.658 -0.945 1.00 0.00 O ATOM 902 ND2 ASN A 55 -16.329 19.090 -1.252 1.00 0.00 N ATOM 0 H ASN A 55 -16.022 18.747 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.765 18.357 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -17.150 20.753 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.864 20.534 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.063 18.570 -0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -15.613 19.540 -1.822 1.00 0.00 H new ATOM 909 N LYS A 56 -17.576 20.750 -5.862 1.00 0.00 N ATOM 910 CA LYS A 56 -17.885 21.635 -6.977 1.00 0.00 C ATOM 911 C LYS A 56 -18.223 20.838 -8.228 1.00 0.00 C ATOM 912 O LYS A 56 -19.185 21.145 -8.926 1.00 0.00 O ATOM 913 CB LYS A 56 -16.705 22.567 -7.254 1.00 0.00 C ATOM 914 CG LYS A 56 -16.437 23.556 -6.132 1.00 0.00 C ATOM 915 CD LYS A 56 -17.609 24.507 -5.945 1.00 0.00 C ATOM 916 CE LYS A 56 -17.751 25.461 -7.122 1.00 0.00 C ATOM 917 NZ LYS A 56 -16.655 26.465 -7.154 1.00 0.00 N ATOM 0 H LYS A 56 -16.594 20.750 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.756 22.232 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.810 21.967 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.896 23.118 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.252 23.015 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.535 24.126 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.528 23.933 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.471 25.079 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.751 24.893 -8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.711 25.973 -7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.832 27.148 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.617 26.966 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.748 25.984 -7.323 1.00 0.00 H new ATOM 931 N LEU A 57 -17.437 19.808 -8.498 1.00 0.00 N ATOM 932 CA LEU A 57 -17.661 18.960 -9.661 1.00 0.00 C ATOM 933 C LEU A 57 -19.013 18.262 -9.551 1.00 0.00 C ATOM 934 O LEU A 57 -19.739 18.115 -10.537 1.00 0.00 O ATOM 935 CB LEU A 57 -16.541 17.923 -9.782 1.00 0.00 C ATOM 936 CG LEU A 57 -15.124 18.502 -9.847 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.095 17.391 -9.948 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.992 19.454 -11.020 1.00 0.00 C ATOM 0 H LEU A 57 -16.636 19.538 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.660 19.584 -10.555 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.601 17.245 -8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.715 17.326 -10.678 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.940 19.058 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.096 17.824 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.171 16.744 -9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.278 16.806 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.979 19.856 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.199 18.920 -11.947 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.703 20.272 -10.907 1.00 0.00 H new ATOM 950 N TYR A 58 -19.348 17.845 -8.338 1.00 0.00 N ATOM 951 CA TYR A 58 -20.628 17.210 -8.081 1.00 0.00 C ATOM 952 C TYR A 58 -21.758 18.230 -8.203 1.00 0.00 C ATOM 953 O TYR A 58 -22.803 17.937 -8.774 1.00 0.00 O ATOM 954 CB TYR A 58 -20.640 16.558 -6.697 1.00 0.00 C ATOM 955 CG TYR A 58 -21.743 15.541 -6.529 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.706 14.339 -7.222 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.824 15.785 -5.694 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.714 13.407 -7.087 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.838 14.858 -5.555 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.779 13.673 -6.253 1.00 0.00 C ATOM 961 OH TYR A 58 -24.795 12.755 -6.120 1.00 0.00 O ATOM 0 H TYR A 58 -18.749 17.936 -7.517 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.782 16.429 -8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.679 16.075 -6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.750 17.333 -5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.874 14.130 -7.878 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.873 16.714 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.669 12.475 -7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.673 15.062 -4.902 1.00 0.00 H new ATOM 0 HH TYR A 58 -25.466 13.098 -5.494 1.00 0.00 H new ATOM 971 N GLU A 59 -21.537 19.432 -7.681 1.00 0.00 N ATOM 972 CA GLU A 59 -22.513 20.514 -7.804 1.00 0.00 C ATOM 973 C GLU A 59 -22.770 20.839 -9.276 1.00 0.00 C ATOM 974 O GLU A 59 -23.900 21.125 -9.675 1.00 0.00 O ATOM 975 CB GLU A 59 -22.016 21.759 -7.057 1.00 0.00 C ATOM 976 CG GLU A 59 -22.874 22.997 -7.264 1.00 0.00 C ATOM 977 CD GLU A 59 -22.427 24.162 -6.404 1.00 0.00 C ATOM 978 OE1 GLU A 59 -21.283 24.631 -6.576 1.00 0.00 O ATOM 979 OE2 GLU A 59 -23.212 24.604 -5.538 1.00 0.00 O ATOM 0 H GLU A 59 -20.692 19.683 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.453 20.190 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.972 21.536 -5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.998 21.979 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.838 23.289 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.913 22.758 -7.035 1.00 0.00 H new ATOM 986 N TYR A 60 -21.709 20.781 -10.071 1.00 0.00 N ATOM 987 CA TYR A 60 -21.787 21.013 -11.508 1.00 0.00 C ATOM 988 C TYR A 60 -22.788 20.066 -12.164 1.00 0.00 C ATOM 989 O TYR A 60 -23.667 20.498 -12.908 1.00 0.00 O ATOM 990 CB TYR A 60 -20.396 20.828 -12.121 1.00 0.00 C ATOM 991 CG TYR A 60 -20.331 20.963 -13.628 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.408 22.207 -14.238 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.156 19.844 -14.437 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.313 22.333 -15.609 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.066 19.964 -15.810 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.142 21.211 -16.391 1.00 0.00 C ATOM 997 OH TYR A 60 -20.035 21.340 -17.757 1.00 0.00 O ATOM 0 H TYR A 60 -20.768 20.571 -9.737 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.133 22.031 -11.684 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -19.721 21.560 -11.677 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.023 19.842 -11.844 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -20.544 23.090 -13.631 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -20.090 18.866 -13.984 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -20.373 23.309 -16.068 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.937 19.085 -16.425 1.00 0.00 H new ATOM 0 HH TYR A 60 -19.631 22.206 -17.973 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.651 18.776 -11.877 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.518 17.767 -12.473 1.00 0.00 C ATOM 1009 C ILE A 61 -24.913 17.767 -11.837 1.00 0.00 C ATOM 1010 O ILE A 61 -25.898 17.416 -12.491 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.892 16.355 -12.405 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.717 15.889 -10.959 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.550 16.354 -13.123 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -22.139 14.498 -10.842 1.00 0.00 C ATOM 0 H ILE A 61 -21.949 18.405 -11.236 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.627 18.035 -13.524 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.570 15.658 -12.898 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -22.067 16.590 -10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.684 15.916 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -21.111 15.357 -13.073 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.695 16.635 -14.166 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.881 17.069 -12.645 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -22.042 14.232 -9.790 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.800 13.787 -11.337 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -21.157 14.471 -11.315 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.986 18.145 -10.562 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.261 18.231 -9.849 1.00 0.00 C ATOM 1028 C GLU A 62 -27.146 19.332 -10.418 1.00 0.00 C ATOM 1029 O GLU A 62 -28.340 19.122 -10.651 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.026 18.501 -8.366 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.513 17.299 -7.601 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.575 16.238 -7.410 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -27.532 16.484 -6.644 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.466 15.157 -8.022 1.00 0.00 O ATOM 0 H GLU A 62 -24.174 18.398 -9.999 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.767 17.274 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.311 19.318 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -26.960 18.836 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.665 16.868 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.147 17.622 -6.626 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.554 20.500 -10.626 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.283 21.666 -11.125 1.00 0.00 C ATOM 1043 C GLN A 63 -27.790 21.460 -12.551 1.00 0.00 C ATOM 1044 O GLN A 63 -27.673 20.374 -13.117 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.397 22.914 -11.066 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.215 23.466 -9.661 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.299 24.676 -9.616 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.487 25.577 -8.803 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.290 24.696 -10.472 1.00 0.00 N ATOM 0 H GLN A 63 -25.563 20.669 -10.456 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.151 21.802 -10.480 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.419 22.675 -11.483 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.832 23.688 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.189 23.738 -9.254 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.808 22.685 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.166 23.929 -11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.636 25.479 -10.471 1.00 0.00 H new ATOM 1058 N SER A 64 -28.376 22.511 -13.113 1.00 0.00 N ATOM 1059 CA SER A 64 -28.901 22.471 -14.467 1.00 0.00 C ATOM 1060 C SER A 64 -27.799 22.152 -15.478 1.00 0.00 C ATOM 1061 O SER A 64 -26.980 23.006 -15.809 1.00 0.00 O ATOM 1062 CB SER A 64 -29.573 23.807 -14.790 1.00 0.00 C ATOM 1063 OG SER A 64 -28.836 24.893 -14.245 1.00 0.00 O ATOM 0 H SER A 64 -28.499 23.408 -12.644 1.00 0.00 H new ATOM 0 HA SER A 64 -29.641 21.674 -14.536 1.00 0.00 H new ATOM 0 HB2 SER A 64 -29.655 23.925 -15.870 1.00 0.00 H new ATOM 0 HB3 SER A 64 -30.587 23.814 -14.390 1.00 0.00 H new ATOM 0 HG SER A 64 -29.284 25.736 -14.466 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.777 20.905 -15.935 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.767 20.438 -16.875 1.00 0.00 C ATOM 1071 C LYS A 65 -26.966 21.097 -18.240 1.00 0.00 C ATOM 1072 O LYS A 65 -26.012 21.363 -18.970 1.00 0.00 O ATOM 1073 CB LYS A 65 -26.847 18.914 -16.984 1.00 0.00 C ATOM 1074 CG LYS A 65 -25.713 18.289 -17.768 1.00 0.00 C ATOM 1075 CD LYS A 65 -25.811 16.775 -17.757 1.00 0.00 C ATOM 1076 CE LYS A 65 -24.654 16.148 -18.507 1.00 0.00 C ATOM 1077 NZ LYS A 65 -23.343 16.528 -17.919 1.00 0.00 N ATOM 0 H LYS A 65 -28.456 20.193 -15.665 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.776 20.714 -16.514 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.858 18.489 -15.980 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -27.792 18.643 -17.455 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -25.735 18.650 -18.796 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -24.759 18.598 -17.342 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -25.819 16.416 -16.728 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -26.753 16.465 -18.210 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.757 15.063 -18.493 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.687 16.458 -19.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.579 16.253 -18.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.316 17.557 -17.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.216 16.041 -17.009 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.219 21.353 -18.565 1.00 0.00 N ATOM 1092 CA ASN A 66 -28.580 22.101 -19.756 1.00 0.00 C ATOM 1093 C ASN A 66 -29.451 23.267 -19.325 1.00 0.00 C ATOM 1094 O ASN A 66 -29.372 23.692 -18.177 1.00 0.00 O ATOM 1095 CB ASN A 66 -29.304 21.196 -20.774 1.00 0.00 C ATOM 1096 CG ASN A 66 -30.543 20.504 -20.220 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -31.249 21.037 -19.368 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -30.815 19.303 -20.707 1.00 0.00 N ATOM 0 H ASN A 66 -29.018 21.048 -18.009 1.00 0.00 H new ATOM 0 HA ASN A 66 -27.687 22.476 -20.255 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -29.592 21.796 -21.637 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -28.607 20.438 -21.131 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -31.632 18.791 -20.375 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -30.207 18.890 -21.414 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.274 23.792 -20.216 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.204 24.825 -19.811 1.00 0.00 C ATOM 1107 C CYS A 67 -32.465 24.734 -20.640 1.00 0.00 C ATOM 1108 O CYS A 67 -32.426 24.317 -21.800 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.584 26.217 -19.914 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.939 27.096 -21.466 1.00 0.00 S ATOM 0 H CYS A 67 -30.317 23.527 -21.200 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.455 24.664 -18.763 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -30.942 26.821 -19.080 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.503 26.127 -19.802 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.826 26.273 -22.466 1.00 0.00 H new ATOM 1115 N SER A 68 -33.561 25.171 -20.062 1.00 0.00 N ATOM 1116 CA SER A 68 -34.881 24.947 -20.655 1.00 0.00 C ATOM 1117 C SER A 68 -35.090 25.868 -21.847 1.00 0.00 C ATOM 1118 O SER A 68 -35.894 25.589 -22.738 1.00 0.00 O ATOM 1119 CB SER A 68 -35.987 25.169 -19.624 1.00 0.00 C ATOM 1120 OG SER A 68 -35.512 24.941 -18.310 1.00 0.00 O ATOM 0 H SER A 68 -33.575 25.685 -19.181 1.00 0.00 H new ATOM 0 HA SER A 68 -34.927 23.912 -20.994 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.365 26.188 -19.706 1.00 0.00 H new ATOM 0 HB3 SER A 68 -36.823 24.501 -19.833 1.00 0.00 H new ATOM 0 HG SER A 68 -35.253 25.794 -17.903 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.350 26.968 -21.848 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.359 27.921 -22.947 1.00 0.00 C ATOM 1128 C TYR A 69 -33.960 27.250 -24.263 1.00 0.00 C ATOM 1129 O TYR A 69 -34.240 27.765 -25.341 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.391 29.055 -22.632 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.642 30.322 -23.411 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.821 31.031 -23.245 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -32.697 30.815 -24.298 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -35.055 32.198 -23.940 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -32.923 31.982 -25.001 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.106 32.671 -24.820 1.00 0.00 C ATOM 1137 OH TYR A 69 -34.335 33.841 -25.509 1.00 0.00 O ATOM 0 H TYR A 69 -33.725 27.225 -21.084 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.370 28.313 -23.061 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.448 29.280 -21.567 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.375 28.715 -22.832 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -35.570 30.663 -22.559 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -31.771 30.278 -24.441 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -35.978 32.739 -23.795 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -32.178 32.354 -25.689 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.568 34.036 -26.087 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.283 26.110 -24.169 1.00 0.00 N ATOM 1148 CA CYS A 70 -32.923 25.354 -25.366 1.00 0.00 C ATOM 1149 C CYS A 70 -33.570 23.968 -25.350 1.00 0.00 C ATOM 1150 O CYS A 70 -34.152 23.528 -26.344 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.406 25.216 -25.507 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.589 24.448 -24.076 1.00 0.00 S ATOM 0 H CYS A 70 -32.976 25.693 -23.290 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.298 25.911 -26.225 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.188 24.624 -26.396 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.976 26.205 -25.669 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.382 24.495 -23.047 1.00 0.00 H new ATOM 1157 N SER A 71 -33.464 23.287 -24.216 1.00 0.00 N ATOM 1158 CA SER A 71 -34.028 21.960 -24.060 1.00 0.00 C ATOM 1159 C SER A 71 -35.342 22.047 -23.299 1.00 0.00 C ATOM 1160 O SER A 71 -35.372 22.476 -22.148 1.00 0.00 O ATOM 1161 CB SER A 71 -33.041 21.063 -23.315 1.00 0.00 C ATOM 1162 OG SER A 71 -31.741 21.172 -23.874 1.00 0.00 O ATOM 0 H SER A 71 -32.987 23.639 -23.386 1.00 0.00 H new ATOM 0 HA SER A 71 -34.219 21.530 -25.043 1.00 0.00 H new ATOM 0 HB2 SER A 71 -33.013 21.341 -22.261 1.00 0.00 H new ATOM 0 HB3 SER A 71 -33.377 20.027 -23.362 1.00 0.00 H new ATOM 0 HG SER A 71 -31.412 22.088 -23.760 1.00 0.00 H new ATOM 1168 N GLU A 72 -36.420 21.635 -23.941 1.00 0.00 N ATOM 1169 CA GLU A 72 -37.752 21.759 -23.370 1.00 0.00 C ATOM 1170 C GLU A 72 -38.034 20.589 -22.434 1.00 0.00 C ATOM 1171 O GLU A 72 -38.993 19.838 -22.607 1.00 0.00 O ATOM 1172 CB GLU A 72 -38.777 21.814 -24.499 1.00 0.00 C ATOM 1173 CG GLU A 72 -40.164 22.260 -24.073 1.00 0.00 C ATOM 1174 CD GLU A 72 -41.105 22.371 -25.250 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -41.137 23.446 -25.888 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -41.796 21.380 -25.563 1.00 0.00 O ATOM 0 H GLU A 72 -36.400 21.208 -24.867 1.00 0.00 H new ATOM 0 HA GLU A 72 -37.818 22.677 -22.787 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -38.412 22.493 -25.270 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -38.851 20.826 -24.953 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -40.568 21.551 -23.351 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -40.097 23.224 -23.569 1.00 0.00 H new ATOM 1183 N ASP A 73 -37.167 20.432 -21.454 1.00 0.00 N ATOM 1184 CA ASP A 73 -37.301 19.369 -20.473 1.00 0.00 C ATOM 1185 C ASP A 73 -38.223 19.815 -19.347 1.00 0.00 C ATOM 1186 O ASP A 73 -37.966 20.818 -18.685 1.00 0.00 O ATOM 1187 CB ASP A 73 -35.937 18.984 -19.907 1.00 0.00 C ATOM 1188 CG ASP A 73 -35.975 17.660 -19.176 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -36.600 17.578 -18.098 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -35.373 16.689 -19.679 1.00 0.00 O ATOM 0 H ASP A 73 -36.354 21.032 -21.314 1.00 0.00 H new ATOM 0 HA ASP A 73 -37.731 18.496 -20.965 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -35.211 18.928 -20.718 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -35.595 19.763 -19.226 1.00 0.00 H new ATOM 1195 N GLU A 74 -39.285 19.058 -19.128 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.326 19.441 -18.179 1.00 0.00 C ATOM 1197 C GLU A 74 -39.887 19.230 -16.730 1.00 0.00 C ATOM 1198 O GLU A 74 -40.511 19.753 -15.804 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.589 18.625 -18.446 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.037 18.641 -19.899 1.00 0.00 C ATOM 1201 CD GLU A 74 -42.533 19.998 -20.364 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -42.656 20.922 -19.531 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -42.835 20.136 -21.569 1.00 0.00 O ATOM 0 H GLU A 74 -39.453 18.168 -19.597 1.00 0.00 H new ATOM 0 HA GLU A 74 -40.523 20.504 -18.319 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.414 17.593 -18.141 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -42.397 19.009 -17.823 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -41.205 18.331 -20.531 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.831 17.907 -20.034 1.00 0.00 H new ATOM 1210 N ASN A 75 -38.818 18.467 -16.526 1.00 0.00 N ATOM 1211 CA ASN A 75 -38.399 18.107 -15.170 1.00 0.00 C ATOM 1212 C ASN A 75 -37.002 18.612 -14.847 1.00 0.00 C ATOM 1213 O ASN A 75 -36.515 18.424 -13.733 1.00 0.00 O ATOM 1214 CB ASN A 75 -38.445 16.589 -14.962 1.00 0.00 C ATOM 1215 CG ASN A 75 -39.852 16.048 -14.832 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -40.483 15.672 -15.820 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -40.354 16.004 -13.609 1.00 0.00 N ATOM 0 H ASN A 75 -38.231 18.089 -17.269 1.00 0.00 H new ATOM 0 HA ASN A 75 -39.105 18.589 -14.494 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -37.950 16.099 -15.800 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -37.880 16.334 -14.065 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -41.298 15.648 -13.458 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -39.797 16.326 -12.817 1.00 0.00 H new ATOM 1224 N CYS A 76 -36.351 19.236 -15.815 1.00 0.00 N ATOM 1225 CA CYS A 76 -35.000 19.731 -15.609 1.00 0.00 C ATOM 1226 C CYS A 76 -35.016 20.965 -14.714 1.00 0.00 C ATOM 1227 O CYS A 76 -35.546 22.015 -15.091 1.00 0.00 O ATOM 1228 CB CYS A 76 -34.334 20.059 -16.948 1.00 0.00 C ATOM 1229 SG CYS A 76 -32.599 20.553 -16.810 1.00 0.00 S ATOM 0 H CYS A 76 -36.733 19.411 -16.745 1.00 0.00 H new ATOM 0 HA CYS A 76 -34.422 18.949 -15.117 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -34.401 19.187 -17.598 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -34.891 20.861 -17.432 1.00 0.00 H new ATOM 0 HG CYS A 76 -32.058 20.573 -17.992 1.00 0.00 H new ATOM 1235 N ASN A 77 -34.437 20.828 -13.527 1.00 0.00 N ATOM 1236 CA ASN A 77 -34.373 21.926 -12.575 1.00 0.00 C ATOM 1237 C ASN A 77 -33.285 22.905 -12.987 1.00 0.00 C ATOM 1238 O ASN A 77 -32.101 22.563 -13.006 1.00 0.00 O ATOM 1239 CB ASN A 77 -34.092 21.405 -11.163 1.00 0.00 C ATOM 1240 CG ASN A 77 -34.106 22.514 -10.124 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.875 23.471 -10.227 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -33.238 22.407 -9.133 1.00 0.00 N ATOM 0 H ASN A 77 -34.004 19.964 -13.202 1.00 0.00 H new ATOM 0 HA ASN A 77 -35.337 22.435 -12.571 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -34.838 20.655 -10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -33.122 20.909 -11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -33.188 23.133 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -32.618 21.599 -9.083 1.00 0.00 H new ATOM 1249 N ASN A 78 -33.691 24.118 -13.320 1.00 0.00 N ATOM 1250 CA ASN A 78 -32.760 25.125 -13.800 1.00 0.00 C ATOM 1251 C ASN A 78 -32.594 26.248 -12.796 1.00 0.00 C ATOM 1252 O ASN A 78 -33.571 26.772 -12.263 1.00 0.00 O ATOM 1253 CB ASN A 78 -33.232 25.687 -15.140 1.00 0.00 C ATOM 1254 CG ASN A 78 -32.810 24.818 -16.305 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -31.813 25.096 -16.966 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -33.544 23.744 -16.551 1.00 0.00 N ATOM 0 H ASN A 78 -34.661 24.430 -13.267 1.00 0.00 H new ATOM 0 HA ASN A 78 -31.790 24.645 -13.934 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -34.318 25.778 -15.132 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -32.829 26.691 -15.273 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -33.288 23.114 -17.312 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -34.366 23.546 -15.980 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.348 26.605 -12.532 1.00 0.00 N ATOM 1264 CA LEU A 79 -31.047 27.711 -11.642 1.00 0.00 C ATOM 1265 C LEU A 79 -30.975 29.000 -12.447 1.00 0.00 C ATOM 1266 O LEU A 79 -31.923 29.787 -12.466 1.00 0.00 O ATOM 1267 CB LEU A 79 -29.728 27.479 -10.885 1.00 0.00 C ATOM 1268 CG LEU A 79 -29.722 26.329 -9.867 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -30.910 26.437 -8.922 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -29.710 24.973 -10.562 1.00 0.00 C ATOM 0 H LEU A 79 -30.527 26.143 -12.923 1.00 0.00 H new ATOM 0 HA LEU A 79 -31.842 27.786 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.942 27.293 -11.617 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -29.466 28.399 -10.363 1.00 0.00 H new ATOM 0 HG LEU A 79 -28.807 26.412 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -30.885 25.612 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -30.861 27.383 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -31.836 26.393 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -29.706 24.181 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -30.597 24.877 -11.187 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -28.818 24.890 -11.183 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.849 29.212 -13.116 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.696 30.353 -14.004 1.00 0.00 C ATOM 1284 C LEU A 80 -30.203 30.002 -15.399 1.00 0.00 C ATOM 1285 O LEU A 80 -29.443 29.518 -16.242 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.235 30.823 -14.067 1.00 0.00 C ATOM 1287 CG LEU A 80 -27.697 31.518 -12.809 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.486 30.524 -11.677 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.402 32.250 -13.129 1.00 0.00 C ATOM 0 H LEU A 80 -29.029 28.608 -13.059 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.291 31.174 -13.604 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.605 29.959 -14.278 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.130 31.507 -14.909 1.00 0.00 H new ATOM 0 HG LEU A 80 -28.439 32.244 -12.477 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.104 31.047 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -28.434 30.046 -11.431 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.768 29.765 -11.988 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.029 32.740 -12.229 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.660 31.537 -13.488 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.588 32.999 -13.899 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.494 30.216 -15.624 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.107 29.904 -16.909 1.00 0.00 C ATOM 1303 C GLU A 81 -31.518 30.775 -18.011 1.00 0.00 C ATOM 1304 O GLU A 81 -31.197 31.945 -17.794 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.626 30.093 -16.845 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.336 29.801 -18.162 1.00 0.00 C ATOM 1307 CD GLU A 81 -34.143 28.370 -18.632 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -34.921 27.498 -18.203 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -33.220 28.112 -19.444 1.00 0.00 O ATOM 0 H GLU A 81 -32.136 30.604 -14.933 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.895 28.860 -17.139 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.032 29.441 -16.071 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.843 31.118 -16.545 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -35.401 30.000 -18.047 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -33.966 30.483 -18.928 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.384 30.194 -19.193 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.786 30.893 -20.307 1.00 0.00 C ATOM 1318 C GLY A 82 -29.275 30.788 -20.304 1.00 0.00 C ATOM 1319 O GLY A 82 -28.621 31.171 -21.269 1.00 0.00 O ATOM 0 H GLY A 82 -31.683 29.241 -19.400 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.175 30.486 -21.240 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.076 31.943 -20.272 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.719 30.239 -19.232 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.279 30.051 -19.128 1.00 0.00 C ATOM 1325 C TYR A 83 -26.961 28.576 -18.921 1.00 0.00 C ATOM 1326 O TYR A 83 -27.859 27.775 -18.662 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.700 30.850 -17.956 1.00 0.00 C ATOM 1328 CG TYR A 83 -27.054 32.317 -17.948 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -26.403 33.218 -18.778 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -28.040 32.801 -17.099 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -26.725 34.562 -18.760 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -28.365 34.139 -17.072 1.00 0.00 C ATOM 1333 CZ TYR A 83 -27.707 35.015 -17.904 1.00 0.00 C ATOM 1334 OH TYR A 83 -28.026 36.352 -17.866 1.00 0.00 O ATOM 0 H TYR A 83 -29.245 29.915 -18.420 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.829 30.406 -20.055 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.047 30.403 -17.024 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.614 30.754 -17.971 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -25.633 32.864 -19.448 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -28.562 32.116 -16.448 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -26.211 35.253 -19.412 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -29.132 34.498 -16.402 1.00 0.00 H new ATOM 0 HH TYR A 83 -28.739 36.500 -17.210 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.691 28.220 -19.068 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.216 26.876 -18.750 1.00 0.00 C ATOM 1346 C HIS A 84 -23.962 26.979 -17.894 1.00 0.00 C ATOM 1347 O HIS A 84 -23.163 27.903 -18.070 1.00 0.00 O ATOM 1348 CB HIS A 84 -24.866 26.069 -20.007 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.012 25.692 -20.896 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -25.985 24.584 -21.716 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.164 26.347 -21.196 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.080 24.614 -22.482 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -27.819 25.668 -22.204 1.00 0.00 N ATOM 0 H HIS A 84 -24.964 28.849 -19.409 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.022 26.364 -18.224 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.152 26.645 -20.595 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.359 25.155 -19.697 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.258 23.868 -21.735 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.511 27.253 -20.722 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.326 23.873 -23.229 1.00 0.00 H new ATOM 1361 N PRO A 85 -23.772 26.044 -16.962 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.571 25.991 -16.145 1.00 0.00 C ATOM 1363 C PRO A 85 -21.405 25.354 -16.896 1.00 0.00 C ATOM 1364 O PRO A 85 -21.570 24.341 -17.573 1.00 0.00 O ATOM 1365 CB PRO A 85 -22.994 25.122 -14.962 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.038 24.213 -15.510 1.00 0.00 C ATOM 1367 CD PRO A 85 -24.717 24.961 -16.630 1.00 0.00 C ATOM 0 HA PRO A 85 -22.218 26.980 -15.854 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.150 24.559 -14.563 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.387 25.729 -14.146 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.593 23.288 -15.876 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -24.756 23.937 -14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -24.900 24.314 -17.488 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.683 25.357 -16.317 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.238 25.964 -16.796 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.031 25.382 -17.351 1.00 0.00 C ATOM 1377 C LYS A 86 -17.966 25.285 -16.275 1.00 0.00 C ATOM 1378 O LYS A 86 -17.817 26.179 -15.438 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.509 26.183 -18.552 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.230 27.643 -18.250 1.00 0.00 C ATOM 1381 CD LYS A 86 -17.534 28.347 -19.407 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.027 28.102 -19.407 1.00 0.00 C ATOM 1383 NZ LYS A 86 -15.650 26.725 -19.842 1.00 0.00 N ATOM 0 H LYS A 86 -20.101 26.863 -16.335 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.275 24.383 -17.711 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.593 25.717 -18.915 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.239 26.123 -19.359 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.168 28.152 -18.029 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.609 27.715 -17.357 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.957 27.999 -20.349 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.726 29.418 -19.347 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.549 28.827 -20.066 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.638 28.277 -18.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.758 26.761 -20.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.530 26.118 -19.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.400 26.335 -20.448 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.255 24.179 -16.295 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.201 23.916 -15.341 1.00 0.00 C ATOM 1399 C LEU A 87 -14.951 24.706 -15.712 1.00 0.00 C ATOM 1400 O LEU A 87 -14.545 24.718 -16.876 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.919 22.416 -15.346 1.00 0.00 C ATOM 1402 CG LEU A 87 -15.965 21.706 -13.993 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -17.085 22.248 -13.124 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -16.155 20.213 -14.211 1.00 0.00 C ATOM 0 H LEU A 87 -17.393 23.433 -16.977 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.505 24.228 -14.342 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -16.640 21.936 -16.007 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.932 22.256 -15.781 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.022 21.887 -13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.091 21.723 -12.169 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.929 23.313 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -18.041 22.098 -13.627 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.188 19.706 -13.247 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -17.089 20.039 -14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.324 19.822 -14.798 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.370 25.392 -14.738 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.153 26.166 -14.957 1.00 0.00 C ATOM 1418 C VAL A 88 -12.180 25.941 -13.813 1.00 0.00 C ATOM 1419 O VAL A 88 -12.537 25.345 -12.801 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.437 27.682 -15.073 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.390 27.973 -16.216 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -13.990 28.238 -13.767 1.00 0.00 C ATOM 0 H VAL A 88 -14.723 25.429 -13.782 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.724 25.823 -15.899 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.489 28.178 -15.282 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.572 29.046 -16.274 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.951 27.628 -17.152 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.333 27.454 -16.044 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.180 29.306 -13.878 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -14.921 27.727 -13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.265 28.080 -12.968 1.00 0.00 H new ATOM 1432 N VAL A 89 -10.959 26.413 -13.971 1.00 0.00 N ATOM 1433 CA VAL A 89 -9.982 26.343 -12.905 1.00 0.00 C ATOM 1434 C VAL A 89 -9.647 27.746 -12.401 1.00 0.00 C ATOM 1435 O VAL A 89 -9.100 28.575 -13.129 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.705 25.589 -13.355 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.102 26.209 -14.609 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.682 25.536 -12.228 1.00 0.00 C ATOM 0 H VAL A 89 -10.621 26.849 -14.829 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.417 25.776 -12.082 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.995 24.568 -13.601 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.208 25.655 -14.895 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.829 26.169 -15.420 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.837 27.247 -14.410 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.794 25.002 -12.567 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.407 26.550 -11.938 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.112 25.018 -11.371 1.00 0.00 H new ATOM 1448 N ASN A 90 -10.004 28.014 -11.154 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.777 29.323 -10.557 1.00 0.00 C ATOM 1450 C ASN A 90 -8.906 29.203 -9.319 1.00 0.00 C ATOM 1451 O ASN A 90 -9.343 28.699 -8.277 1.00 0.00 O ATOM 1452 CB ASN A 90 -11.102 30.008 -10.205 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.712 30.740 -11.387 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.003 31.236 -12.262 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -13.034 30.817 -11.418 1.00 0.00 N ATOM 0 H ASN A 90 -10.453 27.341 -10.534 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.259 29.938 -11.293 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.808 29.261 -9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.937 30.714 -9.391 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.499 31.301 -12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.587 30.393 -10.673 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.670 29.653 -9.446 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.727 29.561 -8.356 1.00 0.00 C ATOM 1464 C GLY A 91 -6.219 28.150 -8.185 1.00 0.00 C ATOM 1465 O GLY A 91 -5.512 27.629 -9.046 1.00 0.00 O ATOM 0 H GLY A 91 -7.301 30.084 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.888 30.231 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.202 29.893 -7.433 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.584 27.524 -7.080 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.203 26.144 -6.828 1.00 0.00 C ATOM 1471 C ARG A 92 -7.448 25.272 -6.725 1.00 0.00 C ATOM 1472 O ARG A 92 -7.382 24.113 -6.315 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.365 26.050 -5.547 1.00 0.00 C ATOM 1474 CG ARG A 92 -4.066 26.839 -5.625 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.203 26.355 -6.777 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.083 27.256 -7.051 1.00 0.00 N ATOM 1477 CZ ARG A 92 -1.211 27.075 -8.042 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.299 25.997 -8.816 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.253 27.967 -8.258 1.00 0.00 N ATOM 0 H ARG A 92 -7.145 27.949 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.596 25.784 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.955 26.415 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.136 25.004 -5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.287 27.899 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.518 26.738 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.819 25.361 -6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.817 26.260 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.963 28.070 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.034 25.309 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.632 25.858 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.183 28.794 -7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.413 27.826 -9.017 1.00 0.00 H new ATOM 1493 N SER A 93 -8.581 25.836 -7.117 1.00 0.00 N ATOM 1494 CA SER A 93 -9.850 25.135 -7.031 1.00 0.00 C ATOM 1495 C SER A 93 -10.586 25.169 -8.364 1.00 0.00 C ATOM 1496 O SER A 93 -10.423 26.101 -9.154 1.00 0.00 O ATOM 1497 CB SER A 93 -10.714 25.760 -5.934 1.00 0.00 C ATOM 1498 OG SER A 93 -10.851 27.160 -6.127 1.00 0.00 O ATOM 0 H SER A 93 -8.646 26.780 -7.498 1.00 0.00 H new ATOM 0 HA SER A 93 -9.651 24.092 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.698 25.292 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.266 25.566 -4.959 1.00 0.00 H new ATOM 0 HG SER A 93 -10.392 27.423 -6.952 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.381 24.146 -8.613 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.198 24.085 -9.808 1.00 0.00 C ATOM 1506 C ILE A 94 -13.518 24.805 -9.554 1.00 0.00 C ATOM 1507 O ILE A 94 -14.175 24.591 -8.533 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.440 22.623 -10.231 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.095 21.945 -10.500 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.328 22.559 -11.464 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.159 20.437 -10.624 1.00 0.00 C ATOM 0 H ILE A 94 -11.478 23.339 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.675 24.581 -10.626 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.952 22.098 -9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.675 22.354 -11.419 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.407 22.201 -9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.486 21.518 -11.745 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.289 23.025 -11.245 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.847 23.088 -12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.160 20.045 -10.814 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.546 20.012 -9.698 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.818 20.167 -11.450 1.00 0.00 H new ATOM 1523 N ASP A 95 -13.896 25.667 -10.477 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.011 26.567 -10.263 1.00 0.00 C ATOM 1525 C ASP A 95 -16.101 26.332 -11.289 1.00 0.00 C ATOM 1526 O ASP A 95 -15.901 25.618 -12.275 1.00 0.00 O ATOM 1527 CB ASP A 95 -14.536 28.014 -10.354 1.00 0.00 C ATOM 1528 CG ASP A 95 -15.457 28.976 -9.639 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -15.985 28.610 -8.572 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.659 30.097 -10.145 1.00 0.00 O ATOM 0 H ASP A 95 -13.445 25.763 -11.387 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.417 26.374 -9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.535 28.091 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.460 28.302 -11.403 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.248 26.940 -11.056 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.373 26.827 -11.961 1.00 0.00 C ATOM 1537 C ILE A 96 -18.869 28.212 -12.346 1.00 0.00 C ATOM 1538 O ILE A 96 -19.349 28.968 -11.500 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.530 26.036 -11.319 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.041 24.672 -10.831 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.675 25.870 -12.310 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.045 23.955 -9.961 1.00 0.00 C ATOM 0 H ILE A 96 -17.425 27.523 -10.238 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.035 26.291 -12.848 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.896 26.597 -10.459 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.806 24.048 -11.693 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.115 24.804 -10.272 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.484 25.309 -11.841 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.041 26.852 -12.611 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.321 25.330 -13.188 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.636 22.994 -9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.262 24.560 -9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.964 23.792 -10.524 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.724 28.559 -13.612 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.240 29.822 -14.106 1.00 0.00 C ATOM 1556 C GLU A 97 -20.284 29.569 -15.171 1.00 0.00 C ATOM 1557 O GLU A 97 -20.342 28.487 -15.751 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.120 30.712 -14.649 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.314 30.087 -15.769 1.00 0.00 C ATOM 1560 CD GLU A 97 -16.292 31.046 -16.333 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -15.223 31.213 -15.713 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -16.565 31.658 -17.388 1.00 0.00 O ATOM 0 H GLU A 97 -18.255 27.987 -14.314 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.701 30.351 -13.272 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.555 31.645 -15.007 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.446 30.968 -13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.809 29.195 -15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.987 29.765 -16.564 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.115 30.558 -15.414 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.203 30.411 -16.355 1.00 0.00 C ATOM 1571 C TYR A 98 -21.956 31.209 -17.620 1.00 0.00 C ATOM 1572 O TYR A 98 -21.639 32.398 -17.572 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.522 30.844 -15.716 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.183 29.764 -14.897 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -23.771 29.496 -13.599 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.227 29.013 -15.426 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.376 28.508 -12.849 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -25.838 28.023 -14.681 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.411 27.776 -13.393 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.016 26.791 -12.646 1.00 0.00 O ATOM 0 H TYR A 98 -21.058 31.475 -14.972 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.263 29.357 -16.626 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.340 31.710 -15.080 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.208 31.164 -16.501 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -22.964 30.070 -13.169 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.565 29.206 -16.433 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.041 28.309 -11.842 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.646 27.445 -15.105 1.00 0.00 H new ATOM 0 HH TYR A 98 -26.727 26.370 -13.174 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.093 30.539 -18.748 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.055 31.202 -20.036 1.00 0.00 C ATOM 1592 C TYR A 99 -23.460 31.197 -20.614 1.00 0.00 C ATOM 1593 O TYR A 99 -24.266 30.321 -20.277 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.064 30.521 -20.995 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.420 29.094 -21.365 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -22.303 28.823 -22.405 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -20.872 28.019 -20.679 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.631 27.526 -22.745 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -21.194 26.719 -21.014 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.074 26.478 -22.048 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.405 25.187 -22.385 1.00 0.00 O ATOM 0 H TYR A 99 -22.232 29.530 -18.798 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.707 32.227 -19.905 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.998 31.113 -21.908 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.074 30.528 -20.538 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -22.740 29.642 -22.957 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -20.182 28.203 -19.869 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.321 27.335 -23.554 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -20.759 25.895 -20.469 1.00 0.00 H new ATOM 0 HH TYR A 99 -21.927 24.563 -21.800 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.764 32.156 -21.466 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.105 32.266 -22.002 1.00 0.00 C ATOM 1613 C GLU A 100 -25.364 31.166 -23.025 1.00 0.00 C ATOM 1614 O GLU A 100 -24.511 30.860 -23.857 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.337 33.648 -22.610 1.00 0.00 C ATOM 1616 CG GLU A 100 -26.784 33.902 -22.999 1.00 0.00 C ATOM 1617 CD GLU A 100 -27.060 35.359 -23.293 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -27.407 36.104 -22.353 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -26.938 35.772 -24.464 1.00 0.00 O ATOM 0 H GLU A 100 -23.108 32.863 -21.799 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.813 32.140 -21.183 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -25.022 34.408 -21.895 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -24.707 33.759 -23.492 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -27.030 33.305 -23.877 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -27.437 33.568 -22.193 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.539 30.561 -22.912 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.978 29.489 -23.800 1.00 0.00 C ATOM 1628 C CYS A 101 -26.698 29.817 -25.269 1.00 0.00 C ATOM 1629 O CYS A 101 -27.126 30.856 -25.773 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.472 29.250 -23.599 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.153 27.886 -24.587 1.00 0.00 S ATOM 0 H CYS A 101 -27.222 30.802 -22.194 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.416 28.589 -23.551 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.656 29.046 -22.544 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.010 30.165 -23.845 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.848 26.752 -24.030 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.999 28.909 -25.975 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.592 29.111 -27.375 1.00 0.00 C ATOM 1638 C PRO A 102 -26.764 29.330 -28.336 1.00 0.00 C ATOM 1639 O PRO A 102 -26.561 29.760 -29.467 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.851 27.817 -27.734 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.260 26.827 -26.700 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.519 27.619 -25.452 1.00 0.00 C ATOM 0 HA PRO A 102 -24.990 30.014 -27.472 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -25.120 27.475 -28.733 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.772 27.968 -27.728 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.153 26.284 -27.010 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.477 26.086 -26.537 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.263 27.139 -24.816 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.616 27.737 -24.853 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.987 29.043 -27.890 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.166 29.258 -28.725 1.00 0.00 C ATOM 1652 C VAL A 103 -29.381 30.756 -28.968 1.00 0.00 C ATOM 1653 O VAL A 103 -30.001 31.157 -29.954 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.441 28.631 -28.106 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.915 29.412 -26.890 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -31.546 28.526 -29.142 1.00 0.00 C ATOM 0 H VAL A 103 -28.185 28.665 -26.964 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.983 28.759 -29.677 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.184 27.626 -27.772 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -31.811 28.943 -26.483 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -30.131 29.416 -26.132 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.143 30.437 -27.182 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -32.431 28.083 -28.686 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -31.789 29.520 -29.516 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -31.212 27.899 -29.968 1.00 0.00 H new ATOM 1666 N LYS A 104 -28.842 31.581 -28.072 1.00 0.00 N ATOM 1667 CA LYS A 104 -28.869 33.026 -28.244 1.00 0.00 C ATOM 1668 C LYS A 104 -28.025 33.419 -29.448 1.00 0.00 C ATOM 1669 O LYS A 104 -28.282 34.420 -30.116 1.00 0.00 O ATOM 1670 CB LYS A 104 -28.338 33.721 -26.989 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.349 33.824 -25.862 1.00 0.00 C ATOM 1672 CD LYS A 104 -30.481 34.778 -26.217 1.00 0.00 C ATOM 1673 CE LYS A 104 -29.959 36.164 -26.584 1.00 0.00 C ATOM 1674 NZ LYS A 104 -29.178 36.786 -25.479 1.00 0.00 N ATOM 0 H LYS A 104 -28.381 31.269 -27.218 1.00 0.00 H new ATOM 0 HA LYS A 104 -29.900 33.340 -28.409 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.463 33.179 -26.629 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.004 34.724 -27.256 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.757 32.837 -25.646 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -28.852 34.168 -24.955 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -31.051 34.371 -27.052 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -31.166 34.859 -25.373 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -29.331 36.090 -27.472 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -30.799 36.810 -26.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -29.004 37.788 -25.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -29.715 36.714 -24.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -28.269 36.292 -25.375 1.00 0.00 H new