USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 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 Set 1.1: A 53 CYS SG : rot 118:sc= 1.06 USER MOD Set 1.2: A 61 CYS SG : rot -163:sc= 0.829 USER MOD Set 1.3: A 66 CYS SG : rot 134:sc= 1.45 USER MOD Set 1.4: A 70 HIS : no HE2:sc= -0.202 K(o=3.1,f=2.6) USER MOD Set 2.1: A 44 GLN : amide:sc= 1.61 K(o=2.1,f=-2.7) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 158:sc= 0.477 (180deg=-0.881) USER MOD Set 2.3: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 SER OG : rot -80:sc= 1.6 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 1.04 USER MOD Set 4.1: A 19 CYS SG : rot 129:sc= 1.11 USER MOD Set 4.2: A 27 CYS SG : rot 118:sc= 0.952 USER MOD Set 4.3: A 34 CYS SG : rot 134:sc= 2.8 USER MOD Set 4.4: A 38 HIS : no HE2:sc= -0.543 K(o=4.3,f=2.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.813 K(o=0.81,f=-0.11) USER MOD Single : A 26 THR OG1 : rot -38:sc= 0.135 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.63) USER MOD Single : A 56 SER OG : rot -44:sc= 1.16 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 1.11 K(o=1.1,f=-3.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.089) USER MOD Single : A 82 ASN : amide:sc= 0.186 X(o=0.19,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.504 -0.065 -15.584 1.00 0.00 N ATOM 191 CA TRP A 13 -18.873 -0.872 -16.756 1.00 0.00 C ATOM 192 C TRP A 13 -18.251 -2.285 -16.769 1.00 0.00 C ATOM 193 O TRP A 13 -18.781 -3.195 -17.413 1.00 0.00 O ATOM 194 CB TRP A 13 -18.540 -0.066 -18.032 1.00 0.00 C ATOM 195 CG TRP A 13 -17.308 -0.427 -18.817 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.198 -1.513 -19.614 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.041 0.294 -18.966 1.00 0.00 C ATOM 198 NE1 TRP A 13 -15.981 -1.510 -20.259 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.218 -0.427 -19.887 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.497 1.480 -18.427 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.928 -0.009 -20.243 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.200 1.907 -18.775 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.415 1.168 -19.678 1.00 0.00 C ATOM 0 HA TRP A 13 -19.945 -1.063 -16.711 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.394 -0.145 -18.704 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.454 0.983 -17.747 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.956 -2.274 -19.729 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.683 -2.220 -20.928 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.084 2.069 -17.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.338 -0.584 -20.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.804 2.814 -18.343 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.422 1.505 -19.935 1.00 0.00 H new ATOM 214 N LEU A 14 -17.136 -2.455 -16.050 1.00 0.00 N ATOM 215 CA LEU A 14 -16.325 -3.673 -15.944 1.00 0.00 C ATOM 216 C LEU A 14 -16.717 -4.610 -14.789 1.00 0.00 C ATOM 217 O LEU A 14 -16.209 -5.729 -14.727 1.00 0.00 O ATOM 218 CB LEU A 14 -14.851 -3.238 -15.780 1.00 0.00 C ATOM 219 CG LEU A 14 -14.257 -2.516 -17.004 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.855 -2.012 -16.679 1.00 0.00 C ATOM 221 CD2 LEU A 14 -14.131 -3.417 -18.236 1.00 0.00 C ATOM 0 H LEU A 14 -16.751 -1.695 -15.490 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.494 -4.254 -16.851 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.774 -2.581 -14.914 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.247 -4.120 -15.566 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.946 -1.703 -17.232 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.441 -1.502 -17.549 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.903 -1.317 -15.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.217 -2.856 -16.415 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.706 -2.847 -19.062 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.480 -4.260 -18.005 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.117 -3.786 -18.519 1.00 0.00 H new ATOM 233 N THR A 15 -17.586 -4.193 -13.863 1.00 0.00 N ATOM 234 CA THR A 15 -18.002 -5.011 -12.706 1.00 0.00 C ATOM 235 C THR A 15 -19.049 -6.061 -13.124 1.00 0.00 C ATOM 236 O THR A 15 -20.256 -5.892 -12.944 1.00 0.00 O ATOM 237 CB THR A 15 -18.452 -4.141 -11.520 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.535 -3.091 -11.276 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.521 -4.924 -10.210 1.00 0.00 C ATOM 0 H THR A 15 -18.027 -3.273 -13.890 1.00 0.00 H new ATOM 0 HA THR A 15 -17.132 -5.563 -12.349 1.00 0.00 H new ATOM 0 HB THR A 15 -19.437 -3.771 -11.805 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.847 -2.554 -10.518 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.844 -4.262 -9.407 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.233 -5.743 -10.313 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.536 -5.327 -9.974 1.00 0.00 H new ATOM 247 N LEU A 16 -18.558 -7.146 -13.725 1.00 0.00 N ATOM 248 CA LEU A 16 -19.286 -8.294 -14.278 1.00 0.00 C ATOM 249 C LEU A 16 -19.794 -9.236 -13.174 1.00 0.00 C ATOM 250 O LEU A 16 -19.114 -9.455 -12.176 1.00 0.00 O ATOM 251 CB LEU A 16 -18.267 -9.026 -15.175 1.00 0.00 C ATOM 252 CG LEU A 16 -18.798 -10.064 -16.176 1.00 0.00 C ATOM 253 CD1 LEU A 16 -20.031 -9.609 -16.961 1.00 0.00 C ATOM 254 CD2 LEU A 16 -17.664 -10.331 -17.172 1.00 0.00 C ATOM 0 H LEU A 16 -17.552 -7.255 -13.849 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.170 -7.968 -14.827 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.716 -8.272 -15.737 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.550 -9.527 -14.525 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.107 -10.944 -15.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.340 -10.400 -17.644 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.843 -9.390 -16.268 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -19.789 -8.712 -17.531 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.992 -11.065 -17.908 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.399 -9.403 -17.678 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.794 -10.715 -16.639 1.00 0.00 H new ATOM 266 N GLU A 17 -20.978 -9.826 -13.328 1.00 0.00 N ATOM 267 CA GLU A 17 -21.499 -10.763 -12.322 1.00 0.00 C ATOM 268 C GLU A 17 -20.804 -12.134 -12.365 1.00 0.00 C ATOM 269 O GLU A 17 -20.369 -12.579 -13.429 1.00 0.00 O ATOM 270 CB GLU A 17 -23.002 -10.986 -12.496 1.00 0.00 C ATOM 271 CG GLU A 17 -23.845 -9.708 -12.452 1.00 0.00 C ATOM 272 CD GLU A 17 -25.199 -9.927 -11.749 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.827 -11.000 -11.930 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.617 -9.017 -10.991 1.00 0.00 O ATOM 0 H GLU A 17 -21.592 -9.677 -14.129 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.293 -10.296 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.174 -11.486 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.349 -11.662 -11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.290 -8.927 -11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -24.018 -9.354 -13.468 1.00 0.00 H new ATOM 281 N VAL A 18 -20.746 -12.832 -11.223 1.00 0.00 N ATOM 282 CA VAL A 18 -20.196 -14.201 -11.137 1.00 0.00 C ATOM 283 C VAL A 18 -21.255 -15.260 -11.479 1.00 0.00 C ATOM 284 O VAL A 18 -22.457 -15.023 -11.297 1.00 0.00 O ATOM 285 CB VAL A 18 -19.604 -14.516 -9.746 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.568 -13.470 -9.325 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.647 -14.657 -8.628 1.00 0.00 C ATOM 0 H VAL A 18 -21.078 -12.468 -10.330 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.392 -14.240 -11.872 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.131 -15.490 -9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.173 -13.724 -8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.754 -13.452 -10.049 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.039 -12.488 -9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.144 -14.878 -7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.205 -13.726 -8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.334 -15.468 -8.871 1.00 0.00 H new ATOM 297 N CYS A 19 -20.834 -16.442 -11.939 1.00 0.00 N ATOM 298 CA CYS A 19 -21.758 -17.546 -12.222 1.00 0.00 C ATOM 299 C CYS A 19 -22.248 -18.199 -10.918 1.00 0.00 C ATOM 300 O CYS A 19 -21.468 -18.398 -9.978 1.00 0.00 O ATOM 301 CB CYS A 19 -21.071 -18.570 -13.124 1.00 0.00 C ATOM 302 SG CYS A 19 -22.228 -19.881 -13.633 1.00 0.00 S ATOM 0 H CYS A 19 -19.855 -16.660 -12.124 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.633 -17.153 -12.739 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.672 -18.071 -14.007 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.225 -19.012 -12.598 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.179 -20.026 -14.924 1.00 0.00 H new ATOM 307 N ARG A 20 -23.544 -18.529 -10.856 1.00 0.00 N ATOM 308 CA ARG A 20 -24.203 -19.130 -9.685 1.00 0.00 C ATOM 309 C ARG A 20 -23.775 -20.579 -9.428 1.00 0.00 C ATOM 310 O ARG A 20 -23.574 -20.956 -8.273 1.00 0.00 O ATOM 311 CB ARG A 20 -25.736 -19.066 -9.829 1.00 0.00 C ATOM 312 CG ARG A 20 -26.324 -17.644 -9.915 1.00 0.00 C ATOM 313 CD ARG A 20 -26.278 -17.020 -11.324 1.00 0.00 C ATOM 314 NE ARG A 20 -25.426 -15.815 -11.376 1.00 0.00 N ATOM 315 CZ ARG A 20 -25.808 -14.562 -11.546 1.00 0.00 C ATOM 316 NH1 ARG A 20 -24.916 -13.628 -11.580 1.00 0.00 N ATOM 317 NH2 ARG A 20 -27.048 -14.183 -11.669 1.00 0.00 N ATOM 0 H ARG A 20 -24.182 -18.382 -11.638 1.00 0.00 H new ATOM 0 HA ARG A 20 -23.884 -18.540 -8.826 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.025 -19.617 -10.724 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.187 -19.579 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.360 -17.671 -9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.781 -16.997 -9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -25.904 -17.758 -12.034 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -27.289 -16.761 -11.637 1.00 0.00 H new ATOM 0 HE ARG A 20 -24.423 -15.968 -11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.929 -13.862 -11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.199 -12.657 -11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -27.798 -14.874 -11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -27.269 -13.196 -11.798 1.00 0.00 H new ATOM 331 N GLU A 21 -23.605 -21.385 -10.474 1.00 0.00 N ATOM 332 CA GLU A 21 -23.181 -22.791 -10.358 1.00 0.00 C ATOM 333 C GLU A 21 -21.692 -22.898 -10.008 1.00 0.00 C ATOM 334 O GLU A 21 -21.273 -23.791 -9.266 1.00 0.00 O ATOM 335 CB GLU A 21 -23.449 -23.535 -11.670 1.00 0.00 C ATOM 336 CG GLU A 21 -24.924 -23.560 -12.099 1.00 0.00 C ATOM 337 CD GLU A 21 -25.815 -24.319 -11.096 1.00 0.00 C ATOM 338 OE1 GLU A 21 -25.978 -25.556 -11.236 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.374 -23.685 -10.168 1.00 0.00 O ATOM 0 H GLU A 21 -23.757 -21.084 -11.437 1.00 0.00 H new ATOM 0 HA GLU A 21 -23.759 -23.245 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.861 -23.071 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.096 -24.561 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.287 -22.537 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.006 -24.028 -13.080 1.00 0.00 H new ATOM 346 N PHE A 22 -20.885 -21.953 -10.493 1.00 0.00 N ATOM 347 CA PHE A 22 -19.459 -21.860 -10.182 1.00 0.00 C ATOM 348 C PHE A 22 -19.225 -21.615 -8.683 1.00 0.00 C ATOM 349 O PHE A 22 -18.221 -22.075 -8.139 1.00 0.00 O ATOM 350 CB PHE A 22 -18.850 -20.756 -11.045 1.00 0.00 C ATOM 351 CG PHE A 22 -17.342 -20.633 -10.971 1.00 0.00 C ATOM 352 CD1 PHE A 22 -16.529 -21.497 -11.729 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.749 -19.640 -10.169 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.128 -21.380 -11.671 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.350 -19.517 -10.118 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.539 -20.390 -10.866 1.00 0.00 C ATOM 0 H PHE A 22 -21.210 -21.219 -11.123 1.00 0.00 H new ATOM 0 HA PHE A 22 -18.969 -22.806 -10.411 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.133 -20.931 -12.083 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.290 -19.803 -10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -16.981 -22.251 -12.356 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.370 -18.971 -9.592 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.506 -22.051 -12.245 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.897 -18.752 -9.504 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.464 -20.299 -10.822 1.00 0.00 H new ATOM 366 N GLN A 23 -20.179 -20.979 -7.982 1.00 0.00 N ATOM 367 CA GLN A 23 -20.090 -20.787 -6.521 1.00 0.00 C ATOM 368 C GLN A 23 -20.144 -22.115 -5.739 1.00 0.00 C ATOM 369 O GLN A 23 -19.693 -22.182 -4.593 1.00 0.00 O ATOM 370 CB GLN A 23 -21.177 -19.840 -5.978 1.00 0.00 C ATOM 371 CG GLN A 23 -21.240 -18.448 -6.621 1.00 0.00 C ATOM 372 CD GLN A 23 -19.863 -17.826 -6.845 1.00 0.00 C ATOM 373 OE1 GLN A 23 -19.142 -17.478 -5.919 1.00 0.00 O ATOM 374 NE2 GLN A 23 -19.441 -17.677 -8.082 1.00 0.00 N ATOM 0 H GLN A 23 -21.022 -20.588 -8.402 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.114 -20.328 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.147 -20.321 -6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.021 -19.717 -4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.759 -18.520 -7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.831 -17.788 -5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -20.034 -17.964 -8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.521 -17.275 -8.262 1.00 0.00 H new ATOM 383 N ARG A 24 -20.662 -23.176 -6.373 1.00 0.00 N ATOM 384 CA ARG A 24 -20.753 -24.548 -5.846 1.00 0.00 C ATOM 385 C ARG A 24 -19.768 -25.496 -6.558 1.00 0.00 C ATOM 386 O ARG A 24 -19.818 -26.710 -6.352 1.00 0.00 O ATOM 387 CB ARG A 24 -22.209 -25.061 -5.940 1.00 0.00 C ATOM 388 CG ARG A 24 -23.222 -24.324 -5.044 1.00 0.00 C ATOM 389 CD ARG A 24 -23.824 -23.063 -5.681 1.00 0.00 C ATOM 390 NE ARG A 24 -24.797 -22.426 -4.773 1.00 0.00 N ATOM 391 CZ ARG A 24 -25.380 -21.251 -4.932 1.00 0.00 C ATOM 392 NH1 ARG A 24 -25.162 -20.495 -5.969 1.00 0.00 N ATOM 393 NH2 ARG A 24 -26.210 -20.805 -4.032 1.00 0.00 N ATOM 0 H ARG A 24 -21.048 -23.099 -7.314 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.466 -24.530 -4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -22.539 -24.982 -6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -22.222 -26.120 -5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -24.030 -25.009 -4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -22.731 -24.047 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -23.029 -22.357 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -24.313 -23.323 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.046 -22.948 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -24.520 -20.803 -6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -25.634 -19.594 -6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -26.411 -21.363 -3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.659 -19.898 -4.157 1.00 0.00 H new ATOM 407 N GLY A 25 -18.872 -24.955 -7.393 1.00 0.00 N ATOM 408 CA GLY A 25 -17.866 -25.699 -8.159 1.00 0.00 C ATOM 409 C GLY A 25 -18.452 -26.755 -9.103 1.00 0.00 C ATOM 410 O GLY A 25 -17.877 -27.837 -9.240 1.00 0.00 O ATOM 0 H GLY A 25 -18.827 -23.950 -7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.275 -24.994 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.184 -26.188 -7.463 1.00 0.00 H new ATOM 414 N THR A 26 -19.611 -26.470 -9.713 1.00 0.00 N ATOM 415 CA THR A 26 -20.350 -27.426 -10.563 1.00 0.00 C ATOM 416 C THR A 26 -20.792 -26.870 -11.933 1.00 0.00 C ATOM 417 O THR A 26 -21.502 -27.549 -12.681 1.00 0.00 O ATOM 418 CB THR A 26 -21.499 -28.033 -9.730 1.00 0.00 C ATOM 419 OG1 THR A 26 -21.995 -29.229 -10.296 1.00 0.00 O ATOM 420 CG2 THR A 26 -22.662 -27.066 -9.503 1.00 0.00 C ATOM 0 H THR A 26 -20.070 -25.562 -9.632 1.00 0.00 H new ATOM 0 HA THR A 26 -19.664 -28.220 -10.857 1.00 0.00 H new ATOM 0 HB THR A 26 -21.050 -28.252 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 26 -22.010 -29.147 -11.272 1.00 0.00 H new ATOM 0 HG21 THR A 26 -23.434 -27.558 -8.911 1.00 0.00 H new ATOM 0 HG22 THR A 26 -22.304 -26.184 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 26 -23.079 -26.766 -10.464 1.00 0.00 H new ATOM 428 N CYS A 27 -20.351 -25.659 -12.312 1.00 0.00 N ATOM 429 CA CYS A 27 -20.644 -25.080 -13.630 1.00 0.00 C ATOM 430 C CYS A 27 -20.082 -25.981 -14.759 1.00 0.00 C ATOM 431 O CYS A 27 -18.939 -26.453 -14.695 1.00 0.00 O ATOM 432 CB CYS A 27 -20.114 -23.638 -13.706 1.00 0.00 C ATOM 433 SG CYS A 27 -20.750 -22.848 -15.219 1.00 0.00 S ATOM 0 H CYS A 27 -19.784 -25.057 -11.715 1.00 0.00 H new ATOM 0 HA CYS A 27 -21.724 -25.035 -13.772 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.428 -23.075 -12.827 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.024 -23.638 -13.711 1.00 0.00 H new ATOM 0 HG CYS A 27 -21.487 -21.826 -14.898 1.00 0.00 H new ATOM 438 N SER A 28 -20.899 -26.254 -15.780 1.00 0.00 N ATOM 439 CA SER A 28 -20.589 -27.140 -16.913 1.00 0.00 C ATOM 440 C SER A 28 -19.775 -26.498 -18.052 1.00 0.00 C ATOM 441 O SER A 28 -19.543 -27.150 -19.077 1.00 0.00 O ATOM 442 CB SER A 28 -21.902 -27.719 -17.461 1.00 0.00 C ATOM 443 OG SER A 28 -22.786 -26.688 -17.883 1.00 0.00 O ATOM 0 H SER A 28 -21.833 -25.849 -15.846 1.00 0.00 H new ATOM 0 HA SER A 28 -19.937 -27.919 -16.517 1.00 0.00 H new ATOM 0 HB2 SER A 28 -21.687 -28.382 -18.299 1.00 0.00 H new ATOM 0 HB3 SER A 28 -22.385 -28.322 -16.692 1.00 0.00 H new ATOM 0 HG SER A 28 -23.612 -27.086 -18.228 1.00 0.00 H new ATOM 449 N ARG A 29 -19.340 -25.237 -17.912 1.00 0.00 N ATOM 450 CA ARG A 29 -18.621 -24.465 -18.943 1.00 0.00 C ATOM 451 C ARG A 29 -17.336 -23.800 -18.420 1.00 0.00 C ATOM 452 O ARG A 29 -17.313 -23.338 -17.276 1.00 0.00 O ATOM 453 CB ARG A 29 -19.551 -23.334 -19.410 1.00 0.00 C ATOM 454 CG ARG A 29 -20.823 -23.808 -20.135 1.00 0.00 C ATOM 455 CD ARG A 29 -21.807 -22.645 -20.324 1.00 0.00 C ATOM 456 NE ARG A 29 -22.281 -22.122 -19.025 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.204 -22.622 -18.228 1.00 0.00 C ATOM 458 NH1 ARG A 29 -23.979 -23.616 -18.572 1.00 0.00 N ATOM 459 NH2 ARG A 29 -23.354 -22.109 -17.050 1.00 0.00 N ATOM 0 H ARG A 29 -19.482 -24.707 -17.052 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.344 -25.160 -19.735 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -19.842 -22.740 -18.544 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -18.994 -22.675 -20.076 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -20.559 -24.228 -21.105 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.299 -24.604 -19.562 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -21.324 -21.845 -20.885 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -22.659 -22.980 -20.916 1.00 0.00 H new ATOM 0 HE ARG A 29 -21.836 -21.262 -18.704 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -23.884 -24.041 -19.494 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.679 -23.967 -17.918 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -22.764 -21.332 -16.753 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -24.063 -22.481 -16.418 1.00 0.00 H new ATOM 473 N PRO A 30 -16.280 -23.677 -19.249 1.00 0.00 N ATOM 474 CA PRO A 30 -15.091 -22.905 -18.893 1.00 0.00 C ATOM 475 C PRO A 30 -15.423 -21.398 -18.883 1.00 0.00 C ATOM 476 O PRO A 30 -16.459 -20.964 -19.400 1.00 0.00 O ATOM 477 CB PRO A 30 -14.057 -23.246 -19.973 1.00 0.00 C ATOM 478 CG PRO A 30 -14.919 -23.528 -21.202 1.00 0.00 C ATOM 479 CD PRO A 30 -16.156 -24.198 -20.604 1.00 0.00 C ATOM 0 HA PRO A 30 -14.716 -23.144 -17.898 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.367 -22.420 -20.146 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.455 -24.111 -19.696 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.174 -22.612 -21.736 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.410 -24.180 -21.912 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.045 -23.971 -21.192 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.047 -25.283 -20.596 1.00 0.00 H new ATOM 487 N ASP A 31 -14.523 -20.575 -18.338 1.00 0.00 N ATOM 488 CA ASP A 31 -14.665 -19.107 -18.306 1.00 0.00 C ATOM 489 C ASP A 31 -14.906 -18.481 -19.695 1.00 0.00 C ATOM 490 O ASP A 31 -15.572 -17.454 -19.817 1.00 0.00 O ATOM 491 CB ASP A 31 -13.430 -18.473 -17.647 1.00 0.00 C ATOM 492 CG ASP A 31 -12.142 -18.638 -18.474 1.00 0.00 C ATOM 493 OD1 ASP A 31 -11.563 -19.750 -18.473 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.704 -17.652 -19.112 1.00 0.00 O ATOM 0 H ASP A 31 -13.664 -20.908 -17.900 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.556 -18.895 -17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.617 -17.411 -17.488 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.282 -18.921 -16.664 1.00 0.00 H new ATOM 499 N THR A 32 -14.390 -19.124 -20.745 1.00 0.00 N ATOM 500 CA THR A 32 -14.527 -18.715 -22.151 1.00 0.00 C ATOM 501 C THR A 32 -15.901 -18.993 -22.776 1.00 0.00 C ATOM 502 O THR A 32 -16.148 -18.536 -23.894 1.00 0.00 O ATOM 503 CB THR A 32 -13.452 -19.391 -23.023 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.365 -20.770 -22.724 1.00 0.00 O ATOM 505 CG2 THR A 32 -12.073 -18.773 -22.798 1.00 0.00 C ATOM 0 H THR A 32 -13.843 -19.978 -20.638 1.00 0.00 H new ATOM 0 HA THR A 32 -14.401 -17.632 -22.130 1.00 0.00 H new ATOM 0 HB THR A 32 -13.751 -19.243 -24.061 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.679 -21.184 -23.288 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.341 -19.276 -23.430 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.104 -17.713 -23.051 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.789 -18.888 -21.752 1.00 0.00 H new ATOM 513 N GLU A 33 -16.806 -19.715 -22.104 1.00 0.00 N ATOM 514 CA GLU A 33 -18.124 -20.115 -22.639 1.00 0.00 C ATOM 515 C GLU A 33 -19.344 -19.714 -21.798 1.00 0.00 C ATOM 516 O GLU A 33 -20.440 -19.602 -22.359 1.00 0.00 O ATOM 517 CB GLU A 33 -18.139 -21.646 -22.812 1.00 0.00 C ATOM 518 CG GLU A 33 -17.617 -22.068 -24.187 1.00 0.00 C ATOM 519 CD GLU A 33 -17.648 -23.598 -24.358 1.00 0.00 C ATOM 520 OE1 GLU A 33 -16.573 -24.244 -24.306 1.00 0.00 O ATOM 521 OE2 GLU A 33 -18.747 -24.167 -24.574 1.00 0.00 O ATOM 0 H GLU A 33 -16.644 -20.047 -21.153 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.227 -19.571 -23.578 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.528 -22.106 -22.035 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.155 -22.017 -22.680 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.221 -21.602 -24.965 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.597 -21.707 -24.316 1.00 0.00 H new ATOM 528 N CYS A 34 -19.199 -19.526 -20.484 1.00 0.00 N ATOM 529 CA CYS A 34 -20.329 -19.214 -19.610 1.00 0.00 C ATOM 530 C CYS A 34 -20.955 -17.813 -19.816 1.00 0.00 C ATOM 531 O CYS A 34 -20.368 -16.902 -20.414 1.00 0.00 O ATOM 532 CB CYS A 34 -19.916 -19.500 -18.163 1.00 0.00 C ATOM 533 SG CYS A 34 -21.393 -19.816 -17.156 1.00 0.00 S ATOM 0 H CYS A 34 -18.303 -19.585 -20.001 1.00 0.00 H new ATOM 0 HA CYS A 34 -21.156 -19.868 -19.887 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.249 -20.362 -18.129 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.363 -18.653 -17.758 1.00 0.00 H new ATOM 0 HG CYS A 34 -21.197 -20.867 -16.416 1.00 0.00 H new ATOM 538 N LYS A 35 -22.175 -17.662 -19.288 1.00 0.00 N ATOM 539 CA LYS A 35 -23.016 -16.451 -19.314 1.00 0.00 C ATOM 540 C LYS A 35 -22.611 -15.409 -18.260 1.00 0.00 C ATOM 541 O LYS A 35 -23.095 -14.276 -18.303 1.00 0.00 O ATOM 542 CB LYS A 35 -24.489 -16.850 -19.117 1.00 0.00 C ATOM 543 CG LYS A 35 -25.011 -17.663 -20.309 1.00 0.00 C ATOM 544 CD LYS A 35 -26.507 -17.964 -20.174 1.00 0.00 C ATOM 545 CE LYS A 35 -26.973 -18.708 -21.428 1.00 0.00 C ATOM 546 NZ LYS A 35 -28.426 -19.016 -21.379 1.00 0.00 N ATOM 0 H LYS A 35 -22.635 -18.430 -18.799 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.872 -15.980 -20.287 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.590 -17.435 -18.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -25.097 -15.954 -18.991 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -24.832 -17.112 -21.232 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.456 -18.598 -20.383 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -26.692 -18.568 -19.286 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -27.069 -17.038 -20.053 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -26.759 -18.104 -22.310 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -26.408 -19.635 -21.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -28.703 -19.520 -22.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -28.627 -19.614 -20.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -28.966 -18.130 -21.305 1.00 0.00 H new ATOM 560 N PHE A 36 -21.723 -15.781 -17.339 1.00 0.00 N ATOM 561 CA PHE A 36 -21.201 -14.952 -16.249 1.00 0.00 C ATOM 562 C PHE A 36 -19.693 -15.214 -16.044 1.00 0.00 C ATOM 563 O PHE A 36 -19.105 -16.090 -16.684 1.00 0.00 O ATOM 564 CB PHE A 36 -21.998 -15.249 -14.972 1.00 0.00 C ATOM 565 CG PHE A 36 -23.503 -15.063 -15.054 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.049 -13.771 -15.171 1.00 0.00 C ATOM 567 CD2 PHE A 36 -24.361 -16.179 -14.990 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.444 -13.594 -15.219 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.755 -16.003 -15.040 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.297 -14.711 -15.153 1.00 0.00 C ATOM 0 H PHE A 36 -21.325 -16.720 -17.331 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.316 -13.898 -16.500 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.797 -16.279 -14.676 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.618 -14.609 -14.176 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -23.395 -12.913 -15.224 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.947 -17.172 -14.902 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -25.860 -12.601 -15.306 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -26.410 -16.861 -14.992 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.368 -14.576 -15.189 1.00 0.00 H new ATOM 580 N ALA A 37 -19.042 -14.445 -15.167 1.00 0.00 N ATOM 581 CA ALA A 37 -17.605 -14.554 -14.912 1.00 0.00 C ATOM 582 C ALA A 37 -17.239 -15.687 -13.926 1.00 0.00 C ATOM 583 O ALA A 37 -18.004 -16.016 -13.014 1.00 0.00 O ATOM 584 CB ALA A 37 -17.125 -13.193 -14.406 1.00 0.00 C ATOM 0 H ALA A 37 -19.502 -13.724 -14.610 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.101 -14.824 -15.840 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.055 -13.237 -14.205 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.321 -12.434 -15.163 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.656 -12.938 -13.489 1.00 0.00 H new ATOM 590 N HIS A 38 -16.033 -16.245 -14.090 1.00 0.00 N ATOM 591 CA HIS A 38 -15.469 -17.339 -13.285 1.00 0.00 C ATOM 592 C HIS A 38 -14.109 -16.922 -12.668 1.00 0.00 C ATOM 593 O HIS A 38 -13.062 -17.156 -13.282 1.00 0.00 O ATOM 594 CB HIS A 38 -15.338 -18.612 -14.156 1.00 0.00 C ATOM 595 CG HIS A 38 -16.625 -19.281 -14.587 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.748 -20.234 -15.578 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.880 -19.099 -14.066 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.044 -20.588 -15.663 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.778 -19.912 -14.768 1.00 0.00 N ATOM 0 H HIS A 38 -15.393 -15.933 -14.821 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.142 -17.561 -12.457 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.773 -18.354 -15.052 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.745 -19.341 -13.604 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -15.988 -20.606 -16.148 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.134 -18.439 -13.250 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.438 -21.316 -16.357 1.00 0.00 H new ATOM 607 N PRO A 39 -14.088 -16.267 -11.484 1.00 0.00 N ATOM 608 CA PRO A 39 -12.856 -15.782 -10.844 1.00 0.00 C ATOM 609 C PRO A 39 -11.846 -16.881 -10.464 1.00 0.00 C ATOM 610 O PRO A 39 -12.219 -17.982 -10.053 1.00 0.00 O ATOM 611 CB PRO A 39 -13.310 -15.017 -9.592 1.00 0.00 C ATOM 612 CG PRO A 39 -14.709 -15.552 -9.301 1.00 0.00 C ATOM 613 CD PRO A 39 -15.250 -15.902 -10.683 1.00 0.00 C ATOM 0 HA PRO A 39 -12.313 -15.162 -11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.636 -15.193 -8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.325 -13.941 -9.768 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.677 -16.425 -8.649 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.329 -14.806 -8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.961 -16.726 -10.627 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.777 -15.055 -11.122 1.00 0.00 H new ATOM 621 N SER A 40 -10.552 -16.548 -10.549 1.00 0.00 N ATOM 622 CA SER A 40 -9.432 -17.414 -10.146 1.00 0.00 C ATOM 623 C SER A 40 -9.120 -17.307 -8.644 1.00 0.00 C ATOM 624 O SER A 40 -9.761 -16.560 -7.898 1.00 0.00 O ATOM 625 CB SER A 40 -8.163 -17.036 -10.930 1.00 0.00 C ATOM 626 OG SER A 40 -7.601 -15.830 -10.425 1.00 0.00 O ATOM 0 H SER A 40 -10.245 -15.645 -10.910 1.00 0.00 H new ATOM 0 HA SER A 40 -9.734 -18.438 -10.365 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.432 -17.841 -10.859 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.404 -16.917 -11.986 1.00 0.00 H new ATOM 0 HG SER A 40 -8.088 -15.063 -10.792 1.00 0.00 H new ATOM 632 N LYS A 41 -8.059 -18.004 -8.215 1.00 0.00 N ATOM 633 CA LYS A 41 -7.487 -17.955 -6.860 1.00 0.00 C ATOM 634 C LYS A 41 -6.985 -16.554 -6.453 1.00 0.00 C ATOM 635 O LYS A 41 -6.841 -16.299 -5.257 1.00 0.00 O ATOM 636 CB LYS A 41 -6.330 -18.971 -6.791 1.00 0.00 C ATOM 637 CG LYS A 41 -6.750 -20.447 -6.908 1.00 0.00 C ATOM 638 CD LYS A 41 -7.635 -20.926 -5.747 1.00 0.00 C ATOM 639 CE LYS A 41 -7.895 -22.433 -5.873 1.00 0.00 C ATOM 640 NZ LYS A 41 -8.736 -22.939 -4.758 1.00 0.00 N ATOM 0 H LYS A 41 -7.554 -18.645 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.279 -18.204 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.622 -18.747 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.802 -18.833 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.286 -20.591 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.856 -21.069 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.149 -20.711 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.581 -20.384 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.387 -22.639 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.945 -22.967 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.891 -23.961 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.254 -22.764 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.652 -22.447 -4.763 1.00 0.00 H new ATOM 654 N SER A 42 -6.733 -15.653 -7.415 1.00 0.00 N ATOM 655 CA SER A 42 -6.262 -14.274 -7.170 1.00 0.00 C ATOM 656 C SER A 42 -7.313 -13.189 -7.454 1.00 0.00 C ATOM 657 O SER A 42 -7.177 -12.076 -6.941 1.00 0.00 O ATOM 658 CB SER A 42 -5.009 -13.959 -8.004 1.00 0.00 C ATOM 659 OG SER A 42 -3.951 -14.874 -7.741 1.00 0.00 O ATOM 0 H SER A 42 -6.852 -15.863 -8.406 1.00 0.00 H new ATOM 0 HA SER A 42 -6.038 -14.247 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.261 -13.991 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.674 -12.945 -7.787 1.00 0.00 H new ATOM 0 HG SER A 42 -3.174 -14.642 -8.291 1.00 0.00 H new ATOM 665 N CYS A 43 -8.352 -13.468 -8.253 1.00 0.00 N ATOM 666 CA CYS A 43 -9.387 -12.487 -8.603 1.00 0.00 C ATOM 667 C CYS A 43 -10.180 -11.955 -7.391 1.00 0.00 C ATOM 668 O CYS A 43 -10.572 -12.707 -6.496 1.00 0.00 O ATOM 669 CB CYS A 43 -10.327 -13.070 -9.661 1.00 0.00 C ATOM 670 SG CYS A 43 -9.408 -13.366 -11.199 1.00 0.00 S ATOM 0 H CYS A 43 -8.498 -14.384 -8.676 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.867 -11.621 -9.012 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.762 -14.002 -9.301 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.153 -12.383 -9.846 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.209 -13.863 -12.094 1.00 0.00 H new ATOM 676 N GLN A 44 -10.439 -10.646 -7.393 1.00 0.00 N ATOM 677 CA GLN A 44 -11.196 -9.921 -6.372 1.00 0.00 C ATOM 678 C GLN A 44 -12.705 -10.035 -6.645 1.00 0.00 C ATOM 679 O GLN A 44 -13.168 -9.736 -7.748 1.00 0.00 O ATOM 680 CB GLN A 44 -10.708 -8.464 -6.391 1.00 0.00 C ATOM 681 CG GLN A 44 -11.264 -7.585 -5.261 1.00 0.00 C ATOM 682 CD GLN A 44 -10.578 -6.217 -5.212 1.00 0.00 C ATOM 683 OE1 GLN A 44 -9.362 -6.092 -5.335 1.00 0.00 O ATOM 684 NE2 GLN A 44 -11.301 -5.134 -5.033 1.00 0.00 N ATOM 0 H GLN A 44 -10.111 -10.035 -8.141 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.032 -10.344 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.619 -8.459 -6.334 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.979 -8.017 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.336 -7.449 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.129 -8.093 -4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.313 -5.208 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.850 -4.220 -4.999 1.00 0.00 H new ATOM 693 N VAL A 45 -13.465 -10.457 -5.630 1.00 0.00 N ATOM 694 CA VAL A 45 -14.925 -10.682 -5.682 1.00 0.00 C ATOM 695 C VAL A 45 -15.621 -9.838 -4.611 1.00 0.00 C ATOM 696 O VAL A 45 -15.190 -9.818 -3.455 1.00 0.00 O ATOM 697 CB VAL A 45 -15.277 -12.169 -5.441 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.755 -12.452 -5.750 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.423 -13.170 -6.232 1.00 0.00 C ATOM 0 H VAL A 45 -13.071 -10.661 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.266 -10.394 -6.676 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.061 -12.321 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.969 -13.506 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.385 -11.839 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.961 -12.213 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.743 -14.186 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.545 -12.988 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.374 -13.048 -5.960 1.00 0.00 H new ATOM 709 N GLU A 46 -16.701 -9.149 -4.980 1.00 0.00 N ATOM 710 CA GLU A 46 -17.487 -8.273 -4.099 1.00 0.00 C ATOM 711 C GLU A 46 -18.989 -8.342 -4.438 1.00 0.00 C ATOM 712 O GLU A 46 -19.382 -8.173 -5.592 1.00 0.00 O ATOM 713 CB GLU A 46 -16.996 -6.818 -4.238 1.00 0.00 C ATOM 714 CG GLU A 46 -15.582 -6.594 -3.674 1.00 0.00 C ATOM 715 CD GLU A 46 -15.096 -5.148 -3.875 1.00 0.00 C ATOM 716 OE1 GLU A 46 -14.089 -4.951 -4.599 1.00 0.00 O ATOM 717 OE2 GLU A 46 -15.689 -4.209 -3.289 1.00 0.00 O ATOM 0 H GLU A 46 -17.068 -9.184 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.350 -8.615 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.008 -6.537 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.693 -6.156 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.575 -6.833 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.887 -7.279 -4.159 1.00 0.00 H new ATOM 724 N ASN A 47 -19.833 -8.568 -3.423 1.00 0.00 N ATOM 725 CA ASN A 47 -21.306 -8.633 -3.495 1.00 0.00 C ATOM 726 C ASN A 47 -21.906 -9.423 -4.689 1.00 0.00 C ATOM 727 O ASN A 47 -22.933 -9.035 -5.253 1.00 0.00 O ATOM 728 CB ASN A 47 -21.845 -7.193 -3.388 1.00 0.00 C ATOM 729 CG ASN A 47 -23.320 -7.119 -3.010 1.00 0.00 C ATOM 730 OD1 ASN A 47 -23.847 -7.931 -2.259 1.00 0.00 O ATOM 731 ND2 ASN A 47 -24.035 -6.131 -3.500 1.00 0.00 N ATOM 0 H ASN A 47 -19.491 -8.720 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.644 -9.239 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.261 -6.650 -2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.697 -6.687 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -25.021 -6.044 -3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.604 -5.451 -4.126 1.00 0.00 H new ATOM 738 N GLY A 48 -21.269 -10.524 -5.100 1.00 0.00 N ATOM 739 CA GLY A 48 -21.739 -11.360 -6.218 1.00 0.00 C ATOM 740 C GLY A 48 -21.245 -10.924 -7.605 1.00 0.00 C ATOM 741 O GLY A 48 -21.778 -11.365 -8.627 1.00 0.00 O ATOM 0 H GLY A 48 -20.410 -10.865 -4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.422 -12.388 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.829 -11.359 -6.220 1.00 0.00 H new ATOM 745 N ARG A 49 -20.236 -10.049 -7.661 1.00 0.00 N ATOM 746 CA ARG A 49 -19.629 -9.514 -8.887 1.00 0.00 C ATOM 747 C ARG A 49 -18.103 -9.484 -8.778 1.00 0.00 C ATOM 748 O ARG A 49 -17.530 -9.611 -7.697 1.00 0.00 O ATOM 749 CB ARG A 49 -20.209 -8.123 -9.221 1.00 0.00 C ATOM 750 CG ARG A 49 -21.747 -8.098 -9.255 1.00 0.00 C ATOM 751 CD ARG A 49 -22.297 -6.796 -9.845 1.00 0.00 C ATOM 752 NE ARG A 49 -23.745 -6.911 -10.103 1.00 0.00 N ATOM 753 CZ ARG A 49 -24.619 -5.945 -10.299 1.00 0.00 C ATOM 754 NH1 ARG A 49 -25.839 -6.270 -10.601 1.00 0.00 N ATOM 755 NH2 ARG A 49 -24.311 -4.681 -10.215 1.00 0.00 N ATOM 0 H ARG A 49 -19.800 -9.677 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.878 -10.180 -9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.857 -7.403 -8.482 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.826 -7.800 -10.189 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.108 -8.941 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.132 -8.227 -8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.110 -5.972 -9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.775 -6.562 -10.773 1.00 0.00 H new ATOM 0 HE ARG A 49 -24.117 -7.860 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -26.100 -7.253 -10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -26.537 -5.543 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.356 -4.403 -9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.025 -3.970 -10.376 1.00 0.00 H new ATOM 769 N VAL A 50 -17.452 -9.332 -9.922 1.00 0.00 N ATOM 770 CA VAL A 50 -15.995 -9.311 -10.118 1.00 0.00 C ATOM 771 C VAL A 50 -15.643 -8.225 -11.135 1.00 0.00 C ATOM 772 O VAL A 50 -16.376 -8.013 -12.098 1.00 0.00 O ATOM 773 CB VAL A 50 -15.487 -10.672 -10.633 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.443 -11.706 -9.514 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.295 -11.282 -11.786 1.00 0.00 C ATOM 0 H VAL A 50 -17.954 -9.211 -10.802 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.518 -9.104 -9.160 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.492 -10.440 -11.014 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.081 -12.655 -9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.773 -11.361 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.444 -11.842 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.855 -12.237 -12.073 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.325 -11.439 -11.466 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.280 -10.604 -12.640 1.00 0.00 H new ATOM 785 N ILE A 51 -14.531 -7.518 -10.949 1.00 0.00 N ATOM 786 CA ILE A 51 -14.134 -6.433 -11.861 1.00 0.00 C ATOM 787 C ILE A 51 -13.238 -6.987 -12.977 1.00 0.00 C ATOM 788 O ILE A 51 -12.247 -7.673 -12.714 1.00 0.00 O ATOM 789 CB ILE A 51 -13.494 -5.265 -11.073 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.512 -4.762 -10.024 1.00 0.00 C ATOM 791 CG2 ILE A 51 -13.076 -4.131 -12.028 1.00 0.00 C ATOM 792 CD1 ILE A 51 -14.134 -3.505 -9.237 1.00 0.00 C ATOM 0 H ILE A 51 -13.884 -7.673 -10.176 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.016 -6.017 -12.348 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.593 -5.610 -10.566 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.457 -4.572 -10.533 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.690 -5.567 -9.311 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.628 -3.319 -11.455 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.351 -4.510 -12.748 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.953 -3.760 -12.558 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.932 -3.260 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.211 -3.684 -8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.989 -2.674 -9.927 1.00 0.00 H new ATOM 804 N ALA A 52 -13.591 -6.702 -14.231 1.00 0.00 N ATOM 805 CA ALA A 52 -12.825 -7.107 -15.406 1.00 0.00 C ATOM 806 C ALA A 52 -11.536 -6.271 -15.548 1.00 0.00 C ATOM 807 O ALA A 52 -11.481 -5.099 -15.163 1.00 0.00 O ATOM 808 CB ALA A 52 -13.726 -7.040 -16.645 1.00 0.00 C ATOM 0 H ALA A 52 -14.433 -6.174 -14.461 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.494 -8.139 -15.292 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.158 -7.342 -17.525 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.575 -7.711 -16.514 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.086 -6.020 -16.778 1.00 0.00 H new ATOM 814 N CYS A 53 -10.487 -6.895 -16.080 1.00 0.00 N ATOM 815 CA CYS A 53 -9.150 -6.333 -16.230 1.00 0.00 C ATOM 816 C CYS A 53 -9.071 -5.230 -17.299 1.00 0.00 C ATOM 817 O CYS A 53 -8.930 -5.491 -18.501 1.00 0.00 O ATOM 818 CB CYS A 53 -8.194 -7.503 -16.489 1.00 0.00 C ATOM 819 SG CYS A 53 -6.440 -7.030 -16.321 1.00 0.00 S ATOM 0 H CYS A 53 -10.551 -7.850 -16.434 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.859 -5.815 -15.316 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.417 -8.310 -15.791 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -8.366 -7.892 -17.492 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.895 -7.719 -15.363 1.00 0.00 H new ATOM 824 N PHE A 54 -9.149 -3.976 -16.848 1.00 0.00 N ATOM 825 CA PHE A 54 -8.990 -2.799 -17.705 1.00 0.00 C ATOM 826 C PHE A 54 -7.606 -2.805 -18.372 1.00 0.00 C ATOM 827 O PHE A 54 -7.489 -2.463 -19.546 1.00 0.00 O ATOM 828 CB PHE A 54 -9.201 -1.507 -16.898 1.00 0.00 C ATOM 829 CG PHE A 54 -8.424 -1.421 -15.598 1.00 0.00 C ATOM 830 CD1 PHE A 54 -7.116 -0.903 -15.588 1.00 0.00 C ATOM 831 CD2 PHE A 54 -9.001 -1.891 -14.401 1.00 0.00 C ATOM 832 CE1 PHE A 54 -6.375 -0.882 -14.395 1.00 0.00 C ATOM 833 CE2 PHE A 54 -8.263 -1.859 -13.205 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.947 -1.360 -13.202 1.00 0.00 C ATOM 0 H PHE A 54 -9.326 -3.747 -15.870 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.748 -2.837 -18.487 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.925 -0.658 -17.524 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.263 -1.407 -16.675 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.681 -0.521 -16.500 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.010 -2.276 -14.403 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.365 -0.499 -14.394 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.706 -2.218 -12.288 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.377 -1.344 -12.285 1.00 0.00 H new ATOM 844 N ASP A 55 -6.561 -3.242 -17.661 1.00 0.00 N ATOM 845 CA ASP A 55 -5.206 -3.349 -18.206 1.00 0.00 C ATOM 846 C ASP A 55 -5.146 -4.333 -19.389 1.00 0.00 C ATOM 847 O ASP A 55 -4.428 -4.068 -20.354 1.00 0.00 O ATOM 848 CB ASP A 55 -4.210 -3.773 -17.119 1.00 0.00 C ATOM 849 CG ASP A 55 -3.920 -2.711 -16.054 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.852 -3.090 -14.861 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.670 -1.535 -16.410 1.00 0.00 O ATOM 0 H ASP A 55 -6.633 -3.533 -16.686 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.928 -2.361 -18.573 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.593 -4.666 -16.625 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.271 -4.052 -17.597 1.00 0.00 H new ATOM 856 N SER A 56 -5.896 -5.442 -19.369 1.00 0.00 N ATOM 857 CA SER A 56 -5.927 -6.391 -20.493 1.00 0.00 C ATOM 858 C SER A 56 -6.579 -5.780 -21.744 1.00 0.00 C ATOM 859 O SER A 56 -6.096 -5.990 -22.859 1.00 0.00 O ATOM 860 CB SER A 56 -6.613 -7.707 -20.101 1.00 0.00 C ATOM 861 OG SER A 56 -8.023 -7.594 -20.035 1.00 0.00 O ATOM 0 H SER A 56 -6.492 -5.706 -18.585 1.00 0.00 H new ATOM 0 HA SER A 56 -4.890 -6.617 -20.744 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.349 -8.478 -20.824 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.234 -8.034 -19.133 1.00 0.00 H new ATOM 0 HG SER A 56 -8.263 -6.767 -19.568 1.00 0.00 H new ATOM 867 N LEU A 57 -7.642 -4.982 -21.566 1.00 0.00 N ATOM 868 CA LEU A 57 -8.345 -4.279 -22.647 1.00 0.00 C ATOM 869 C LEU A 57 -7.518 -3.113 -23.219 1.00 0.00 C ATOM 870 O LEU A 57 -7.457 -2.941 -24.439 1.00 0.00 O ATOM 871 CB LEU A 57 -9.697 -3.761 -22.117 1.00 0.00 C ATOM 872 CG LEU A 57 -10.785 -4.843 -21.992 1.00 0.00 C ATOM 873 CD1 LEU A 57 -11.951 -4.303 -21.163 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.330 -5.270 -23.359 1.00 0.00 C ATOM 0 H LEU A 57 -8.045 -4.804 -20.646 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.505 -4.986 -23.461 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.540 -3.305 -21.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.057 -2.975 -22.781 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.327 -5.708 -21.512 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.721 -5.070 -21.075 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.595 -4.030 -20.169 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.369 -3.424 -21.653 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.095 -6.035 -23.223 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.765 -4.407 -23.863 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.518 -5.673 -23.965 1.00 0.00 H new ATOM 886 N LYS A 58 -6.873 -2.317 -22.353 1.00 0.00 N ATOM 887 CA LYS A 58 -6.033 -1.165 -22.736 1.00 0.00 C ATOM 888 C LYS A 58 -4.649 -1.563 -23.286 1.00 0.00 C ATOM 889 O LYS A 58 -3.990 -0.732 -23.911 1.00 0.00 O ATOM 890 CB LYS A 58 -5.891 -0.199 -21.540 1.00 0.00 C ATOM 891 CG LYS A 58 -7.205 0.463 -21.066 1.00 0.00 C ATOM 892 CD LYS A 58 -7.963 1.312 -22.101 1.00 0.00 C ATOM 893 CE LYS A 58 -7.103 2.454 -22.661 1.00 0.00 C ATOM 894 NZ LYS A 58 -7.868 3.297 -23.618 1.00 0.00 N ATOM 0 H LYS A 58 -6.920 -2.457 -21.344 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.544 -0.664 -23.558 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.456 -0.745 -20.703 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.185 0.586 -21.810 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.874 -0.322 -20.714 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.977 1.096 -20.208 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.293 0.673 -22.920 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.859 1.727 -21.640 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.740 3.073 -21.840 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.227 2.040 -23.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.256 4.058 -23.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.194 2.711 -24.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.690 3.712 -23.135 1.00 0.00 H new ATOM 908 N GLY A 59 -4.209 -2.811 -23.080 1.00 0.00 N ATOM 909 CA GLY A 59 -2.929 -3.338 -23.582 1.00 0.00 C ATOM 910 C GLY A 59 -1.732 -3.101 -22.648 1.00 0.00 C ATOM 911 O GLY A 59 -0.657 -2.711 -23.113 1.00 0.00 O ATOM 0 H GLY A 59 -4.743 -3.499 -22.549 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.034 -4.409 -23.753 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.716 -2.880 -24.548 1.00 0.00 H new ATOM 915 N ARG A 60 -1.921 -3.298 -21.335 1.00 0.00 N ATOM 916 CA ARG A 60 -0.922 -3.064 -20.272 1.00 0.00 C ATOM 917 C ARG A 60 -0.679 -4.254 -19.326 1.00 0.00 C ATOM 918 O ARG A 60 0.391 -4.314 -18.716 1.00 0.00 O ATOM 919 CB ARG A 60 -1.369 -1.808 -19.488 1.00 0.00 C ATOM 920 CG ARG A 60 -0.357 -1.246 -18.469 1.00 0.00 C ATOM 921 CD ARG A 60 1.041 -0.955 -19.035 1.00 0.00 C ATOM 922 NE ARG A 60 1.006 0.002 -20.159 1.00 0.00 N ATOM 923 CZ ARG A 60 2.003 0.302 -20.973 1.00 0.00 C ATOM 924 NH1 ARG A 60 3.187 -0.231 -20.848 1.00 0.00 N ATOM 925 NH2 ARG A 60 1.831 1.159 -21.939 1.00 0.00 N ATOM 0 H ARG A 60 -2.809 -3.638 -20.966 1.00 0.00 H new ATOM 0 HA ARG A 60 0.045 -2.921 -20.754 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.605 -1.022 -20.206 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.292 -2.045 -18.959 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.761 -0.325 -18.048 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.259 -1.956 -17.647 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.675 -0.557 -18.243 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.496 -1.887 -19.369 1.00 0.00 H new ATOM 0 HE ARG A 60 0.121 0.481 -20.324 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.367 -0.904 -20.103 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.932 0.025 -21.495 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.922 1.603 -22.071 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.605 1.386 -22.563 1.00 0.00 H new ATOM 939 N CYS A 61 -1.630 -5.185 -19.182 1.00 0.00 N ATOM 940 CA CYS A 61 -1.510 -6.311 -18.246 1.00 0.00 C ATOM 941 C CYS A 61 -0.331 -7.254 -18.578 1.00 0.00 C ATOM 942 O CYS A 61 -0.172 -7.712 -19.717 1.00 0.00 O ATOM 943 CB CYS A 61 -2.852 -7.056 -18.148 1.00 0.00 C ATOM 944 SG CYS A 61 -2.899 -8.094 -16.647 1.00 0.00 S ATOM 0 H CYS A 61 -2.503 -5.180 -19.710 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.271 -5.902 -17.264 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.672 -6.338 -18.127 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.995 -7.678 -19.032 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.849 -8.974 -16.758 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.992 -11.572 -11.330 1.00 0.00 N ATOM 1014 CA CYS A 66 -3.945 -10.517 -11.655 1.00 0.00 C ATOM 1015 C CYS A 66 -5.261 -10.683 -10.866 1.00 0.00 C ATOM 1016 O CYS A 66 -5.859 -11.767 -10.833 1.00 0.00 O ATOM 1017 CB CYS A 66 -4.145 -10.524 -13.177 1.00 0.00 C ATOM 1018 SG CYS A 66 -4.915 -8.978 -13.717 1.00 0.00 S ATOM 0 HA CYS A 66 -3.561 -9.542 -11.355 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.185 -10.654 -13.676 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.770 -11.369 -13.464 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.283 -8.518 -14.756 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.692 -9.608 -10.195 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.903 -9.590 -9.353 1.00 0.00 C ATOM 1025 C LYS A 67 -8.187 -9.321 -10.139 1.00 0.00 C ATOM 1026 O LYS A 67 -9.251 -9.182 -9.535 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.789 -8.567 -8.211 1.00 0.00 C ATOM 1028 CG LYS A 67 -5.421 -8.573 -7.522 1.00 0.00 C ATOM 1029 CD LYS A 67 -5.418 -7.862 -6.157 1.00 0.00 C ATOM 1030 CE LYS A 67 -5.470 -6.324 -6.213 1.00 0.00 C ATOM 1031 NZ LYS A 67 -6.812 -5.774 -6.547 1.00 0.00 N ATOM 0 H LYS A 67 -5.205 -8.712 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.970 -10.596 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.984 -7.570 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.561 -8.773 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.096 -9.605 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.692 -8.092 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.272 -8.217 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.521 -8.159 -5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.155 -5.925 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.751 -5.973 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.877 -4.791 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.951 -5.799 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.547 -6.347 -6.084 1.00 0.00 H new ATOM 1045 N TYR A 68 -8.090 -9.215 -11.458 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.190 -8.836 -12.331 1.00 0.00 C ATOM 1047 C TYR A 68 -9.442 -9.873 -13.438 1.00 0.00 C ATOM 1048 O TYR A 68 -8.558 -10.638 -13.831 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.872 -7.435 -12.869 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.602 -6.399 -11.786 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -7.283 -6.153 -11.348 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.676 -5.722 -11.177 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -7.043 -5.240 -10.302 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -9.442 -4.806 -10.131 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.122 -4.568 -9.690 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.881 -3.723 -8.650 1.00 0.00 O ATOM 0 H TYR A 68 -7.221 -9.395 -11.962 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.129 -8.810 -11.778 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.002 -7.497 -13.522 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.707 -7.095 -13.482 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.456 -6.666 -11.816 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.686 -5.906 -11.513 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.033 -5.055 -9.969 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.269 -4.288 -9.669 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.727 -3.338 -8.339 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.689 -9.939 -13.911 1.00 0.00 N ATOM 1067 CA LEU A 69 -11.133 -10.926 -14.902 1.00 0.00 C ATOM 1068 C LEU A 69 -10.730 -10.537 -16.330 1.00 0.00 C ATOM 1069 O LEU A 69 -11.228 -9.541 -16.852 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.667 -11.088 -14.812 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.167 -12.136 -13.809 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.902 -13.559 -14.301 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.555 -11.980 -12.420 1.00 0.00 C ATOM 0 H LEU A 69 -11.428 -9.302 -13.614 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.641 -11.872 -14.675 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.101 -10.123 -14.549 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.045 -11.348 -15.801 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.240 -11.962 -13.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.270 -14.273 -13.564 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.416 -13.718 -15.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.831 -13.702 -14.441 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.950 -12.752 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.472 -12.079 -12.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.805 -10.997 -12.020 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.884 -11.335 -16.984 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.522 -11.120 -18.392 1.00 0.00 C ATOM 1087 C HIS A 70 -10.765 -11.418 -19.266 1.00 0.00 C ATOM 1088 O HIS A 70 -11.223 -12.566 -19.269 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.309 -11.987 -18.775 1.00 0.00 C ATOM 1090 CG HIS A 70 -7.056 -11.656 -17.993 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -6.087 -12.535 -17.558 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.684 -10.416 -17.546 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -5.180 -11.835 -16.848 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.511 -10.532 -16.798 1.00 0.00 N ATOM 0 H HIS A 70 -9.431 -12.144 -16.559 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.222 -10.085 -18.558 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.559 -13.036 -18.618 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.106 -11.864 -19.839 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.061 -13.538 -17.741 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.214 -9.495 -17.741 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.305 -12.263 -16.382 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.354 -10.425 -19.967 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.583 -10.567 -20.760 1.00 0.00 C ATOM 1104 C PRO A 71 -12.650 -11.785 -21.702 1.00 0.00 C ATOM 1105 O PRO A 71 -11.903 -11.828 -22.685 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.708 -9.247 -21.524 1.00 0.00 C ATOM 1107 CG PRO A 71 -12.100 -8.248 -20.557 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.912 -9.035 -20.027 1.00 0.00 C ATOM 0 HA PRO A 71 -13.419 -10.766 -20.089 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.169 -9.274 -22.471 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.746 -9.008 -21.754 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.795 -7.327 -21.054 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.794 -7.967 -19.765 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.047 -8.927 -20.682 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.613 -8.676 -19.042 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.538 -12.773 -21.460 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.691 -13.908 -22.367 1.00 0.00 C ATOM 1118 C PRO A 72 -14.477 -13.501 -23.629 1.00 0.00 C ATOM 1119 O PRO A 72 -15.255 -12.541 -23.592 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.416 -14.976 -21.550 1.00 0.00 C ATOM 1121 CG PRO A 72 -15.271 -14.171 -20.581 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.463 -12.895 -20.337 1.00 0.00 C ATOM 0 HA PRO A 72 -12.734 -14.280 -22.733 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.027 -15.619 -22.184 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.714 -15.622 -21.023 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.250 -13.947 -21.005 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.443 -14.717 -19.653 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.118 -12.026 -20.277 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.922 -12.952 -19.392 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.330 -14.223 -24.757 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.980 -13.872 -26.025 1.00 0.00 C ATOM 1132 C PRO A 73 -16.514 -13.772 -25.959 1.00 0.00 C ATOM 1133 O PRO A 73 -17.102 -12.952 -26.664 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.492 -14.914 -27.042 1.00 0.00 C ATOM 1135 CG PRO A 73 -14.012 -16.086 -26.188 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.493 -15.402 -24.926 1.00 0.00 C ATOM 0 HA PRO A 73 -14.700 -12.860 -26.316 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.293 -15.216 -27.716 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.687 -14.518 -27.661 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.821 -16.782 -25.966 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.230 -16.656 -26.689 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.565 -16.063 -24.062 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.443 -15.128 -25.031 1.00 0.00 H new ATOM 1144 N HIS A 74 -17.169 -14.559 -25.092 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.632 -14.530 -24.906 1.00 0.00 C ATOM 1146 C HIS A 74 -19.145 -13.393 -24.000 1.00 0.00 C ATOM 1147 O HIS A 74 -20.353 -13.153 -23.978 1.00 0.00 O ATOM 1148 CB HIS A 74 -19.121 -15.914 -24.440 1.00 0.00 C ATOM 1149 CG HIS A 74 -19.079 -16.939 -25.548 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -18.084 -17.874 -25.776 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -20.015 -17.086 -26.535 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -18.412 -18.579 -26.877 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -19.585 -18.114 -27.356 1.00 0.00 N ATOM 0 H HIS A 74 -16.697 -15.239 -24.495 1.00 0.00 H new ATOM 0 HA HIS A 74 -19.067 -14.300 -25.879 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.503 -16.255 -23.609 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -20.141 -15.829 -24.065 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -17.247 -18.007 -25.209 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -20.920 -16.508 -26.652 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -17.832 -19.383 -27.305 1.00 0.00 H new ATOM 1162 N LEU A 75 -18.266 -12.673 -23.286 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.636 -11.541 -22.409 1.00 0.00 C ATOM 1164 C LEU A 75 -18.037 -10.207 -22.862 1.00 0.00 C ATOM 1165 O LEU A 75 -18.562 -9.163 -22.480 1.00 0.00 O ATOM 1166 CB LEU A 75 -18.303 -11.850 -20.938 1.00 0.00 C ATOM 1167 CG LEU A 75 -19.001 -13.112 -20.398 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.527 -13.463 -18.990 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -20.518 -12.928 -20.355 1.00 0.00 C ATOM 0 H LEU A 75 -17.263 -12.860 -23.299 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.716 -11.422 -22.493 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.224 -11.970 -20.836 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.588 -10.996 -20.323 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.741 -13.921 -21.081 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.043 -14.359 -18.645 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.452 -13.645 -19.003 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.747 -12.636 -18.315 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.984 -13.835 -19.970 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.764 -12.089 -19.704 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.889 -12.729 -21.360 1.00 0.00 H new ATOM 1181 N LYS A 76 -17.013 -10.203 -23.727 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.458 -8.979 -24.336 1.00 0.00 C ATOM 1183 C LYS A 76 -17.552 -8.136 -25.007 1.00 0.00 C ATOM 1184 O LYS A 76 -17.508 -6.912 -24.919 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.354 -9.354 -25.338 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.999 -9.552 -24.642 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.988 -10.187 -25.606 1.00 0.00 C ATOM 1188 CE LYS A 76 -11.541 -9.904 -25.193 1.00 0.00 C ATOM 1189 NZ LYS A 76 -10.569 -10.506 -26.144 1.00 0.00 N ATOM 0 H LYS A 76 -16.540 -11.055 -24.028 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.025 -8.366 -23.546 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.632 -10.269 -25.860 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.265 -8.571 -26.092 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.621 -8.592 -24.289 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.123 -10.188 -23.765 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.150 -11.264 -25.642 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.158 -9.805 -26.613 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.381 -8.827 -25.143 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.364 -10.300 -24.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.600 -10.293 -25.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.705 -11.537 -26.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.721 -10.110 -27.093 1.00 0.00 H new ATOM 1203 N THR A 77 -18.560 -8.777 -25.609 1.00 0.00 N ATOM 1204 CA THR A 77 -19.722 -8.106 -26.219 1.00 0.00 C ATOM 1205 C THR A 77 -20.547 -7.355 -25.167 1.00 0.00 C ATOM 1206 O THR A 77 -20.889 -6.190 -25.356 1.00 0.00 O ATOM 1207 CB THR A 77 -20.620 -9.125 -26.941 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.842 -9.918 -27.814 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.704 -8.448 -27.777 1.00 0.00 C ATOM 0 H THR A 77 -18.595 -9.793 -25.689 1.00 0.00 H new ATOM 0 HA THR A 77 -19.340 -7.386 -26.942 1.00 0.00 H new ATOM 0 HB THR A 77 -21.092 -9.730 -26.167 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.419 -10.566 -28.269 1.00 0.00 H new ATOM 0 HG21 THR A 77 -22.313 -9.208 -28.268 1.00 0.00 H new ATOM 0 HG22 THR A 77 -22.336 -7.839 -27.130 1.00 0.00 H new ATOM 0 HG23 THR A 77 -21.239 -7.813 -28.531 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.832 -7.991 -24.024 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.569 -7.376 -22.913 1.00 0.00 C ATOM 1219 C GLN A 78 -20.760 -6.223 -22.298 1.00 0.00 C ATOM 1220 O GLN A 78 -21.294 -5.138 -22.063 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.903 -8.438 -21.848 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.795 -9.585 -22.361 1.00 0.00 C ATOM 1223 CD GLN A 78 -24.143 -9.120 -22.920 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -24.783 -8.202 -22.424 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -24.630 -9.730 -23.981 1.00 0.00 N ATOM 0 H GLN A 78 -20.555 -8.956 -23.843 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.502 -6.964 -23.298 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.973 -8.859 -21.466 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.401 -7.952 -21.009 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -22.259 -10.129 -23.138 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.973 -10.286 -21.546 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.113 -10.497 -24.410 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.524 -9.435 -24.373 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.460 -6.439 -22.080 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.541 -5.425 -21.554 1.00 0.00 C ATOM 1236 C LEU A 79 -18.448 -4.200 -22.476 1.00 0.00 C ATOM 1237 O LEU A 79 -18.559 -3.078 -21.986 1.00 0.00 O ATOM 1238 CB LEU A 79 -17.157 -6.054 -21.314 1.00 0.00 C ATOM 1239 CG LEU A 79 -17.139 -7.079 -20.163 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.816 -7.833 -20.172 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.303 -6.407 -18.797 1.00 0.00 C ATOM 0 H LEU A 79 -19.010 -7.335 -22.266 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.935 -5.066 -20.603 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.825 -6.542 -22.230 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.440 -5.263 -21.097 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.977 -7.759 -20.319 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.805 -8.557 -19.358 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.700 -8.354 -21.123 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.995 -7.128 -20.042 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.285 -7.165 -18.014 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.487 -5.702 -18.638 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.254 -5.875 -18.765 1.00 0.00 H new ATOM 1253 N GLU A 80 -18.291 -4.367 -23.795 1.00 0.00 N ATOM 1254 CA GLU A 80 -18.255 -3.203 -24.696 1.00 0.00 C ATOM 1255 C GLU A 80 -19.602 -2.463 -24.739 1.00 0.00 C ATOM 1256 O GLU A 80 -19.609 -1.236 -24.788 1.00 0.00 O ATOM 1257 CB GLU A 80 -17.714 -3.524 -26.100 1.00 0.00 C ATOM 1258 CG GLU A 80 -18.663 -4.267 -27.048 1.00 0.00 C ATOM 1259 CD GLU A 80 -18.116 -4.243 -28.485 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -18.258 -3.189 -29.154 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -17.550 -5.259 -28.954 1.00 0.00 O ATOM 0 H GLU A 80 -18.189 -5.271 -24.256 1.00 0.00 H new ATOM 0 HA GLU A 80 -17.528 -2.517 -24.261 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -17.422 -2.587 -26.575 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -16.808 -4.120 -25.988 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -18.785 -5.298 -26.716 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -19.650 -3.805 -27.020 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.739 -3.167 -24.654 1.00 0.00 N ATOM 1269 CA ILE A 81 -22.073 -2.542 -24.586 1.00 0.00 C ATOM 1270 C ILE A 81 -22.181 -1.691 -23.309 1.00 0.00 C ATOM 1271 O ILE A 81 -22.640 -0.548 -23.371 1.00 0.00 O ATOM 1272 CB ILE A 81 -23.186 -3.612 -24.710 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -23.246 -4.103 -26.175 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.564 -3.072 -24.277 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -24.089 -5.369 -26.379 1.00 0.00 C ATOM 0 H ILE A 81 -20.763 -4.186 -24.630 1.00 0.00 H new ATOM 0 HA ILE A 81 -22.212 -1.868 -25.431 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.942 -4.437 -24.041 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -23.652 -3.305 -26.798 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -22.231 -4.295 -26.524 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -25.312 -3.858 -24.381 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.518 -2.751 -23.236 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.837 -2.225 -24.907 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -24.079 -5.647 -27.433 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.673 -6.183 -25.786 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -25.115 -5.178 -26.063 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.708 -2.200 -22.164 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.670 -1.435 -20.912 1.00 0.00 C ATOM 1289 C ASN A 82 -20.767 -0.194 -21.065 1.00 0.00 C ATOM 1290 O ASN A 82 -21.137 0.903 -20.642 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.155 -2.315 -19.754 1.00 0.00 C ATOM 1292 CG ASN A 82 -22.030 -3.485 -19.344 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -23.183 -3.631 -19.728 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -21.499 -4.335 -18.492 1.00 0.00 N ATOM 0 H ASN A 82 -21.343 -3.149 -22.080 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.685 -1.109 -20.683 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.176 -2.704 -20.032 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -21.009 -1.678 -18.882 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -22.049 -5.122 -18.147 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -20.538 -4.207 -18.176 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.591 -0.357 -21.683 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.620 0.714 -21.925 1.00 0.00 C ATOM 1303 C GLY A 83 -19.178 1.820 -22.819 1.00 0.00 C ATOM 1304 O GLY A 83 -19.128 2.991 -22.448 1.00 0.00 O ATOM 0 H GLY A 83 -19.281 -1.262 -22.038 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.312 1.143 -20.971 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.728 0.293 -22.388 1.00 0.00 H new