USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 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 148:sc= 0.761 USER MOD Set 1.2: A 56 SER OG : rot 147:sc= 0.00432 USER MOD Set 1.3: A 61 CYS SG : rot 128:sc= 0.757 USER MOD Set 1.4: A 66 CYS SG : rot -165:sc= 0.443 USER MOD Set 1.5: A 70 HIS : no HE2:sc= 0.262 K(o=2.2,f=1) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.575 K(o=0.59,f=0) USER MOD Set 2.2: A 68 TYR OH : rot 180:sc= 0.0114 USER MOD Set 3.1: A 40 SER OG : rot -71:sc= 1.52 USER MOD Set 3.2: A 42 SER OG : rot 109:sc= 1.13 USER MOD Set 3.3: A 43 CYS SG : rot 170:sc= 0.488 USER MOD Set 4.1: A 19 CYS SG : rot 132:sc= 0.675 USER MOD Set 4.2: A 27 CYS SG : rot -100:sc= 0.461 USER MOD Set 4.3: A 34 CYS SG : rot 135:sc= 2.98 USER MOD Set 4.4: A 38 HIS : no HE2:sc= -0.602 K(o=3.5,f=1.7) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00916 X(o=-0.0092,f=-0.029) USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.343 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00316 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 47 ASN : amide:sc= -0.0996 K(o=-0.1,f=-0.62) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) 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= 0.239 K(o=0.24,f=-0.59) USER MOD Single : A 82 ASN : amide:sc= 0.358 K(o=0.36,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.224 -0.365 -15.358 1.00 0.00 N ATOM 191 CA TRP A 13 -18.668 -1.117 -16.546 1.00 0.00 C ATOM 192 C TRP A 13 -18.089 -2.545 -16.632 1.00 0.00 C ATOM 193 O TRP A 13 -18.699 -3.434 -17.235 1.00 0.00 O ATOM 194 CB TRP A 13 -18.372 -0.287 -17.812 1.00 0.00 C ATOM 195 CG TRP A 13 -17.192 -0.663 -18.666 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.141 -1.728 -19.498 1.00 0.00 C ATOM 197 CD2 TRP A 13 -15.920 0.035 -18.856 1.00 0.00 C ATOM 198 NE1 TRP A 13 -15.956 -1.727 -20.201 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.152 -0.674 -19.832 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.336 1.199 -18.315 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.872 -0.266 -20.232 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.049 1.617 -18.706 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.314 0.888 -19.658 1.00 0.00 C ATOM 0 HA TRP A 13 -19.744 -1.269 -16.458 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.260 -0.320 -18.443 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.239 0.750 -17.503 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.917 -2.472 -19.597 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.706 -2.420 -20.906 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.885 1.780 -17.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.323 -0.831 -20.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.622 2.508 -18.270 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.326 1.214 -19.946 1.00 0.00 H new ATOM 214 N LEU A 14 -16.926 -2.761 -16.012 1.00 0.00 N ATOM 215 CA LEU A 14 -16.170 -4.015 -15.956 1.00 0.00 C ATOM 216 C LEU A 14 -16.561 -4.922 -14.781 1.00 0.00 C ATOM 217 O LEU A 14 -16.092 -6.059 -14.719 1.00 0.00 O ATOM 218 CB LEU A 14 -14.672 -3.675 -15.851 1.00 0.00 C ATOM 219 CG LEU A 14 -14.111 -2.887 -17.047 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.686 -2.446 -16.737 1.00 0.00 C ATOM 221 CD2 LEU A 14 -14.071 -3.705 -18.341 1.00 0.00 C ATOM 0 H LEU A 14 -16.456 -2.014 -15.501 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.401 -4.570 -16.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.506 -3.097 -14.942 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.108 -4.602 -15.747 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.779 -2.039 -17.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.286 -1.887 -17.583 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.686 -1.812 -15.851 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.065 -3.323 -16.555 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.665 -3.092 -19.146 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.439 -4.581 -18.198 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.080 -4.024 -18.601 1.00 0.00 H new ATOM 233 N THR A 15 -17.382 -4.441 -13.843 1.00 0.00 N ATOM 234 CA THR A 15 -17.828 -5.199 -12.665 1.00 0.00 C ATOM 235 C THR A 15 -18.930 -6.198 -13.057 1.00 0.00 C ATOM 236 O THR A 15 -20.129 -5.981 -12.859 1.00 0.00 O ATOM 237 CB THR A 15 -18.253 -4.271 -11.512 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.356 -3.189 -11.374 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.271 -4.992 -10.166 1.00 0.00 C ATOM 0 H THR A 15 -17.764 -3.496 -13.880 1.00 0.00 H new ATOM 0 HA THR A 15 -16.982 -5.774 -12.288 1.00 0.00 H new ATOM 0 HB THR A 15 -19.255 -3.927 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.649 -2.614 -10.637 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.577 -4.296 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.975 -5.823 -10.208 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.274 -5.372 -9.944 1.00 0.00 H new ATOM 247 N LEU A 16 -18.500 -7.295 -13.675 1.00 0.00 N ATOM 248 CA LEU A 16 -19.289 -8.399 -14.222 1.00 0.00 C ATOM 249 C LEU A 16 -19.819 -9.324 -13.113 1.00 0.00 C ATOM 250 O LEU A 16 -19.121 -9.602 -12.142 1.00 0.00 O ATOM 251 CB LEU A 16 -18.339 -9.182 -15.160 1.00 0.00 C ATOM 252 CG LEU A 16 -18.910 -9.477 -16.553 1.00 0.00 C ATOM 253 CD1 LEU A 16 -17.791 -10.029 -17.432 1.00 0.00 C ATOM 254 CD2 LEU A 16 -20.055 -10.490 -16.522 1.00 0.00 C ATOM 0 H LEU A 16 -17.502 -7.449 -13.819 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.163 -8.018 -14.750 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.415 -8.615 -15.274 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.077 -10.126 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.310 -8.543 -16.948 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -18.182 -10.244 -18.427 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.991 -9.293 -17.508 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.400 -10.945 -16.990 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.419 -10.659 -17.536 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.697 -11.431 -16.103 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.866 -10.103 -15.905 1.00 0.00 H new ATOM 266 N GLU A 17 -21.041 -9.838 -13.242 1.00 0.00 N ATOM 267 CA GLU A 17 -21.597 -10.783 -12.261 1.00 0.00 C ATOM 268 C GLU A 17 -20.914 -12.158 -12.332 1.00 0.00 C ATOM 269 O GLU A 17 -20.498 -12.594 -13.407 1.00 0.00 O ATOM 270 CB GLU A 17 -23.096 -10.992 -12.494 1.00 0.00 C ATOM 271 CG GLU A 17 -23.931 -9.718 -12.351 1.00 0.00 C ATOM 272 CD GLU A 17 -25.429 -10.002 -12.560 1.00 0.00 C ATOM 273 OE1 GLU A 17 -26.101 -9.241 -13.295 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.942 -10.989 -11.979 1.00 0.00 O ATOM 0 H GLU A 17 -21.669 -9.619 -14.015 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.419 -10.342 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.244 -11.401 -13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.463 -11.736 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.775 -9.288 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.595 -8.977 -13.077 1.00 0.00 H new ATOM 281 N VAL A 18 -20.842 -12.868 -11.200 1.00 0.00 N ATOM 282 CA VAL A 18 -20.320 -14.249 -11.144 1.00 0.00 C ATOM 283 C VAL A 18 -21.412 -15.271 -11.502 1.00 0.00 C ATOM 284 O VAL A 18 -22.611 -15.006 -11.319 1.00 0.00 O ATOM 285 CB VAL A 18 -19.717 -14.609 -9.769 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.640 -13.602 -9.357 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.747 -14.727 -8.638 1.00 0.00 C ATOM 0 H VAL A 18 -21.142 -12.507 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.519 -14.293 -11.882 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.281 -15.598 -9.910 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.234 -13.881 -8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.840 -13.601 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.078 -12.606 -9.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.239 -14.982 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.267 -13.776 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.469 -15.506 -8.883 1.00 0.00 H new ATOM 297 N CYS A 19 -21.015 -16.453 -11.984 1.00 0.00 N ATOM 298 CA CYS A 19 -21.962 -17.526 -12.295 1.00 0.00 C ATOM 299 C CYS A 19 -22.477 -18.192 -11.007 1.00 0.00 C ATOM 300 O CYS A 19 -21.713 -18.520 -10.091 1.00 0.00 O ATOM 301 CB CYS A 19 -21.313 -18.536 -13.237 1.00 0.00 C ATOM 302 SG CYS A 19 -22.507 -19.818 -13.733 1.00 0.00 S ATOM 0 H CYS A 19 -20.040 -16.690 -12.167 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.828 -17.101 -12.803 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.934 -18.024 -14.121 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.457 -19.000 -12.746 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.457 -19.982 -15.022 1.00 0.00 H new ATOM 307 N ARG A 20 -23.795 -18.389 -10.933 1.00 0.00 N ATOM 308 CA ARG A 20 -24.498 -18.960 -9.776 1.00 0.00 C ATOM 309 C ARG A 20 -24.181 -20.433 -9.540 1.00 0.00 C ATOM 310 O ARG A 20 -24.245 -20.888 -8.402 1.00 0.00 O ATOM 311 CB ARG A 20 -26.016 -18.801 -9.933 1.00 0.00 C ATOM 312 CG ARG A 20 -26.512 -17.343 -9.949 1.00 0.00 C ATOM 313 CD ARG A 20 -26.233 -16.602 -11.268 1.00 0.00 C ATOM 314 NE ARG A 20 -27.073 -15.400 -11.401 1.00 0.00 N ATOM 315 CZ ARG A 20 -26.677 -14.148 -11.558 1.00 0.00 C ATOM 316 NH1 ARG A 20 -27.551 -13.197 -11.693 1.00 0.00 N ATOM 317 NH2 ARG A 20 -25.436 -13.759 -11.584 1.00 0.00 N ATOM 0 H ARG A 20 -24.424 -18.149 -11.699 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.141 -18.402 -8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.325 -19.286 -10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.509 -19.329 -9.117 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.585 -17.333 -9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -26.038 -16.800 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -25.181 -16.319 -11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.418 -17.271 -12.108 1.00 0.00 H new ATOM 0 HE ARG A 20 -28.081 -15.551 -11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -28.547 -13.414 -11.678 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -27.241 -12.233 -11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.685 -14.441 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.214 -12.772 -11.710 1.00 0.00 H new ATOM 331 N GLU A 21 -23.817 -21.174 -10.582 1.00 0.00 N ATOM 332 CA GLU A 21 -23.457 -22.590 -10.469 1.00 0.00 C ATOM 333 C GLU A 21 -21.968 -22.746 -10.157 1.00 0.00 C ATOM 334 O GLU A 21 -21.571 -23.632 -9.397 1.00 0.00 O ATOM 335 CB GLU A 21 -23.819 -23.331 -11.757 1.00 0.00 C ATOM 336 CG GLU A 21 -25.328 -23.321 -12.048 1.00 0.00 C ATOM 337 CD GLU A 21 -26.113 -24.167 -11.027 1.00 0.00 C ATOM 338 OE1 GLU A 21 -26.508 -25.313 -11.339 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.328 -23.726 -9.873 1.00 0.00 O ATOM 0 H GLU A 21 -23.762 -20.811 -11.534 1.00 0.00 H new ATOM 0 HA GLU A 21 -24.022 -23.027 -9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.290 -22.875 -12.594 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.474 -24.363 -11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.695 -22.295 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.507 -23.705 -13.052 1.00 0.00 H new ATOM 346 N PHE A 22 -21.143 -21.834 -10.670 1.00 0.00 N ATOM 347 CA PHE A 22 -19.719 -21.758 -10.343 1.00 0.00 C ATOM 348 C PHE A 22 -19.533 -21.426 -8.853 1.00 0.00 C ATOM 349 O PHE A 22 -18.606 -21.929 -8.217 1.00 0.00 O ATOM 350 CB PHE A 22 -19.064 -20.706 -11.233 1.00 0.00 C ATOM 351 CG PHE A 22 -17.556 -20.639 -11.139 1.00 0.00 C ATOM 352 CD1 PHE A 22 -16.941 -19.669 -10.326 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.766 -21.540 -11.879 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.539 -19.607 -10.246 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.363 -21.482 -11.791 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.750 -20.515 -10.975 1.00 0.00 C ATOM 0 H PHE A 22 -21.447 -21.120 -11.331 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.242 -22.721 -10.526 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.340 -20.905 -12.269 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.473 -19.729 -10.976 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.546 -18.973 -9.764 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.237 -22.276 -12.514 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.067 -18.861 -9.624 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.757 -22.180 -12.350 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.673 -20.469 -10.908 1.00 0.00 H new ATOM 366 N GLN A 23 -20.465 -20.657 -8.267 1.00 0.00 N ATOM 367 CA GLN A 23 -20.486 -20.355 -6.826 1.00 0.00 C ATOM 368 C GLN A 23 -20.645 -21.619 -5.960 1.00 0.00 C ATOM 369 O GLN A 23 -20.222 -21.632 -4.802 1.00 0.00 O ATOM 370 CB GLN A 23 -21.610 -19.349 -6.508 1.00 0.00 C ATOM 371 CG GLN A 23 -21.259 -17.894 -6.854 1.00 0.00 C ATOM 372 CD GLN A 23 -20.278 -17.277 -5.859 1.00 0.00 C ATOM 373 OE1 GLN A 23 -19.067 -17.338 -6.015 1.00 0.00 O ATOM 374 NE2 GLN A 23 -20.756 -16.663 -4.796 1.00 0.00 N ATOM 0 H GLN A 23 -21.231 -20.224 -8.783 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.520 -19.915 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.507 -19.636 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.851 -19.412 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -20.829 -17.855 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.172 -17.299 -6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.764 -16.604 -4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.118 -16.247 -4.117 1.00 0.00 H new ATOM 383 N ARG A 24 -21.224 -22.689 -6.526 1.00 0.00 N ATOM 384 CA ARG A 24 -21.425 -24.005 -5.888 1.00 0.00 C ATOM 385 C ARG A 24 -20.420 -25.059 -6.380 1.00 0.00 C ATOM 386 O ARG A 24 -20.429 -26.198 -5.915 1.00 0.00 O ATOM 387 CB ARG A 24 -22.868 -24.482 -6.136 1.00 0.00 C ATOM 388 CG ARG A 24 -23.903 -23.373 -5.895 1.00 0.00 C ATOM 389 CD ARG A 24 -25.345 -23.869 -5.913 1.00 0.00 C ATOM 390 NE ARG A 24 -25.736 -24.538 -7.175 1.00 0.00 N ATOM 391 CZ ARG A 24 -26.076 -25.803 -7.342 1.00 0.00 C ATOM 392 NH1 ARG A 24 -26.505 -26.203 -8.500 1.00 0.00 N ATOM 393 NH2 ARG A 24 -26.005 -26.691 -6.388 1.00 0.00 N ATOM 0 H ARG A 24 -21.581 -22.663 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.253 -23.883 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -22.957 -24.842 -7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -23.086 -25.326 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -23.701 -22.902 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -23.783 -22.603 -6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -25.490 -24.564 -5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -26.011 -23.024 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.744 -23.954 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.578 -25.542 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.769 -27.179 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -25.675 -26.419 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.280 -27.657 -6.569 1.00 0.00 H new ATOM 407 N GLY A 25 -19.559 -24.673 -7.324 1.00 0.00 N ATOM 408 CA GLY A 25 -18.518 -25.502 -7.938 1.00 0.00 C ATOM 409 C GLY A 25 -19.056 -26.563 -8.905 1.00 0.00 C ATOM 410 O GLY A 25 -18.532 -27.679 -8.929 1.00 0.00 O ATOM 0 H GLY A 25 -19.569 -23.725 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.822 -24.856 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.951 -25.997 -7.150 1.00 0.00 H new ATOM 414 N THR A 26 -20.122 -26.254 -9.658 1.00 0.00 N ATOM 415 CA THR A 26 -20.797 -27.225 -10.548 1.00 0.00 C ATOM 416 C THR A 26 -21.197 -26.703 -11.944 1.00 0.00 C ATOM 417 O THR A 26 -21.914 -27.402 -12.665 1.00 0.00 O ATOM 418 CB THR A 26 -21.986 -27.846 -9.783 1.00 0.00 C ATOM 419 OG1 THR A 26 -22.443 -29.038 -10.387 1.00 0.00 O ATOM 420 CG2 THR A 26 -23.173 -26.898 -9.613 1.00 0.00 C ATOM 0 H THR A 26 -20.544 -25.326 -9.671 1.00 0.00 H new ATOM 0 HA THR A 26 -20.059 -27.988 -10.795 1.00 0.00 H new ATOM 0 HB THR A 26 -21.584 -28.063 -8.794 1.00 0.00 H new ATOM 0 HG1 THR A 26 -22.452 -28.929 -11.361 1.00 0.00 H new ATOM 0 HG21 THR A 26 -23.968 -27.405 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 26 -22.857 -26.015 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 26 -23.541 -26.597 -10.594 1.00 0.00 H new ATOM 428 N CYS A 27 -20.742 -25.511 -12.365 1.00 0.00 N ATOM 429 CA CYS A 27 -21.043 -24.981 -13.704 1.00 0.00 C ATOM 430 C CYS A 27 -20.498 -25.910 -14.819 1.00 0.00 C ATOM 431 O CYS A 27 -19.345 -26.359 -14.778 1.00 0.00 O ATOM 432 CB CYS A 27 -20.521 -23.541 -13.842 1.00 0.00 C ATOM 433 SG CYS A 27 -21.160 -22.804 -15.383 1.00 0.00 S ATOM 0 H CYS A 27 -20.163 -24.895 -11.795 1.00 0.00 H new ATOM 0 HA CYS A 27 -22.126 -24.953 -13.826 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.835 -22.946 -12.985 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.431 -23.538 -13.850 1.00 0.00 H new ATOM 0 HG CYS A 27 -20.241 -22.854 -16.301 1.00 0.00 H new ATOM 438 N SER A 28 -21.344 -26.220 -15.805 1.00 0.00 N ATOM 439 CA SER A 28 -21.058 -27.122 -16.935 1.00 0.00 C ATOM 440 C SER A 28 -20.247 -26.488 -18.082 1.00 0.00 C ATOM 441 O SER A 28 -20.070 -27.126 -19.125 1.00 0.00 O ATOM 442 CB SER A 28 -22.380 -27.661 -17.506 1.00 0.00 C ATOM 443 OG SER A 28 -23.156 -28.301 -16.501 1.00 0.00 O ATOM 0 H SER A 28 -22.288 -25.836 -15.844 1.00 0.00 H new ATOM 0 HA SER A 28 -20.435 -27.916 -16.523 1.00 0.00 H new ATOM 0 HB2 SER A 28 -22.951 -26.841 -17.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 -22.170 -28.366 -18.310 1.00 0.00 H new ATOM 0 HG SER A 28 -23.991 -28.632 -16.893 1.00 0.00 H new ATOM 449 N ARG A 29 -19.778 -25.239 -17.940 1.00 0.00 N ATOM 450 CA ARG A 29 -19.075 -24.470 -18.984 1.00 0.00 C ATOM 451 C ARG A 29 -17.751 -23.851 -18.503 1.00 0.00 C ATOM 452 O ARG A 29 -17.677 -23.392 -17.359 1.00 0.00 O ATOM 453 CB ARG A 29 -19.990 -23.305 -19.397 1.00 0.00 C ATOM 454 CG ARG A 29 -21.284 -23.732 -20.111 1.00 0.00 C ATOM 455 CD ARG A 29 -22.209 -22.525 -20.318 1.00 0.00 C ATOM 456 NE ARG A 29 -22.667 -21.969 -19.029 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.652 -22.377 -18.255 1.00 0.00 C ATOM 458 NH1 ARG A 29 -23.779 -21.846 -17.081 1.00 0.00 N ATOM 459 NH2 ARG A 29 -24.511 -23.292 -18.619 1.00 0.00 N ATOM 0 H ARG A 29 -19.880 -24.718 -17.069 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.847 -25.160 -19.796 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -20.253 -22.733 -18.507 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -19.432 -22.636 -20.052 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -21.043 -24.182 -21.074 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.796 -24.493 -19.523 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -21.683 -21.754 -20.882 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -23.071 -22.824 -20.914 1.00 0.00 H new ATOM 0 HE ARG A 29 -22.150 -21.157 -18.691 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -23.124 -21.127 -16.773 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.534 -22.146 -16.464 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -24.436 -23.725 -19.540 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -25.257 -23.574 -17.982 1.00 0.00 H new ATOM 473 N PRO A 30 -16.719 -23.762 -19.364 1.00 0.00 N ATOM 474 CA PRO A 30 -15.497 -23.025 -19.044 1.00 0.00 C ATOM 475 C PRO A 30 -15.790 -21.510 -19.025 1.00 0.00 C ATOM 476 O PRO A 30 -16.820 -21.047 -19.527 1.00 0.00 O ATOM 477 CB PRO A 30 -14.508 -23.391 -20.158 1.00 0.00 C ATOM 478 CG PRO A 30 -15.419 -23.645 -21.359 1.00 0.00 C ATOM 479 CD PRO A 30 -16.650 -24.286 -20.722 1.00 0.00 C ATOM 0 HA PRO A 30 -15.096 -23.277 -18.062 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.801 -22.584 -20.351 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.922 -24.274 -19.903 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.668 -22.721 -21.880 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.951 -24.306 -22.089 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.552 -24.039 -21.282 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.565 -25.373 -20.717 1.00 0.00 H new ATOM 487 N ASP A 31 -14.863 -20.708 -18.490 1.00 0.00 N ATOM 488 CA ASP A 31 -14.972 -19.237 -18.456 1.00 0.00 C ATOM 489 C ASP A 31 -15.207 -18.605 -19.844 1.00 0.00 C ATOM 490 O ASP A 31 -15.845 -17.560 -19.962 1.00 0.00 O ATOM 491 CB ASP A 31 -13.719 -18.635 -17.803 1.00 0.00 C ATOM 492 CG ASP A 31 -12.438 -18.839 -18.631 1.00 0.00 C ATOM 493 OD1 ASP A 31 -11.890 -19.968 -18.625 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.975 -17.871 -19.275 1.00 0.00 O ATOM 0 H ASP A 31 -14.006 -21.060 -18.063 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.855 -19.003 -17.861 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.876 -17.568 -17.649 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.581 -19.082 -16.819 1.00 0.00 H new ATOM 499 N THR A 32 -14.718 -19.263 -20.896 1.00 0.00 N ATOM 500 CA THR A 32 -14.852 -18.847 -22.301 1.00 0.00 C ATOM 501 C THR A 32 -16.240 -19.081 -22.918 1.00 0.00 C ATOM 502 O THR A 32 -16.489 -18.603 -24.025 1.00 0.00 O ATOM 503 CB THR A 32 -13.799 -19.540 -23.184 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.838 -20.940 -22.986 1.00 0.00 O ATOM 505 CG2 THR A 32 -12.382 -19.065 -22.864 1.00 0.00 C ATOM 0 H THR A 32 -14.197 -20.134 -20.794 1.00 0.00 H new ATOM 0 HA THR A 32 -14.696 -17.768 -22.276 1.00 0.00 H new ATOM 0 HB THR A 32 -14.040 -19.284 -24.216 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.165 -21.370 -23.554 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.671 -19.580 -23.510 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.312 -17.990 -23.031 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.151 -19.286 -21.822 1.00 0.00 H new ATOM 513 N GLU A 33 -17.148 -19.793 -22.239 1.00 0.00 N ATOM 514 CA GLU A 33 -18.482 -20.167 -22.751 1.00 0.00 C ATOM 515 C GLU A 33 -19.678 -19.693 -21.909 1.00 0.00 C ATOM 516 O GLU A 33 -20.781 -19.577 -22.450 1.00 0.00 O ATOM 517 CB GLU A 33 -18.557 -21.705 -22.802 1.00 0.00 C ATOM 518 CG GLU A 33 -17.835 -22.351 -23.988 1.00 0.00 C ATOM 519 CD GLU A 33 -18.566 -22.097 -25.322 1.00 0.00 C ATOM 520 OE1 GLU A 33 -18.123 -21.232 -26.115 1.00 0.00 O ATOM 521 OE2 GLU A 33 -19.582 -22.780 -25.598 1.00 0.00 O ATOM 0 H GLU A 33 -16.976 -20.136 -21.294 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.568 -19.676 -23.720 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -18.137 -22.105 -21.879 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.606 -22.002 -22.829 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.820 -21.959 -24.051 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.752 -23.425 -23.820 1.00 0.00 H new ATOM 528 N CYS A 34 -19.505 -19.459 -20.605 1.00 0.00 N ATOM 529 CA CYS A 34 -20.617 -19.106 -19.718 1.00 0.00 C ATOM 530 C CYS A 34 -21.202 -17.691 -19.928 1.00 0.00 C ATOM 531 O CYS A 34 -20.615 -16.822 -20.585 1.00 0.00 O ATOM 532 CB CYS A 34 -20.204 -19.406 -18.273 1.00 0.00 C ATOM 533 SG CYS A 34 -21.683 -19.674 -17.251 1.00 0.00 S ATOM 0 H CYS A 34 -18.600 -19.508 -20.138 1.00 0.00 H new ATOM 0 HA CYS A 34 -21.468 -19.733 -19.982 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.566 -20.289 -18.244 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.620 -18.577 -17.873 1.00 0.00 H new ATOM 0 HG CYS A 34 -21.504 -20.715 -16.493 1.00 0.00 H new ATOM 538 N LYS A 35 -22.396 -17.478 -19.367 1.00 0.00 N ATOM 539 CA LYS A 35 -23.187 -16.229 -19.410 1.00 0.00 C ATOM 540 C LYS A 35 -22.768 -15.204 -18.346 1.00 0.00 C ATOM 541 O LYS A 35 -23.146 -14.034 -18.444 1.00 0.00 O ATOM 542 CB LYS A 35 -24.678 -16.564 -19.239 1.00 0.00 C ATOM 543 CG LYS A 35 -25.223 -17.327 -20.454 1.00 0.00 C ATOM 544 CD LYS A 35 -26.726 -17.590 -20.321 1.00 0.00 C ATOM 545 CE LYS A 35 -27.218 -18.275 -21.599 1.00 0.00 C ATOM 546 NZ LYS A 35 -28.678 -18.552 -21.549 1.00 0.00 N ATOM 0 H LYS A 35 -22.870 -18.210 -18.839 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.998 -15.769 -20.380 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.817 -17.163 -18.339 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -25.246 -15.644 -19.101 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -25.031 -16.754 -21.361 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.694 -18.274 -20.558 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -26.924 -18.220 -19.454 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -27.261 -16.654 -20.164 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -26.997 -17.642 -22.459 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -26.675 -19.209 -21.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -28.974 -19.016 -22.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -28.886 -19.176 -20.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -29.197 -17.658 -21.437 1.00 0.00 H new ATOM 560 N PHE A 36 -21.973 -15.639 -17.370 1.00 0.00 N ATOM 561 CA PHE A 36 -21.427 -14.855 -16.260 1.00 0.00 C ATOM 562 C PHE A 36 -19.939 -15.208 -16.042 1.00 0.00 C ATOM 563 O PHE A 36 -19.406 -16.128 -16.671 1.00 0.00 O ATOM 564 CB PHE A 36 -22.260 -15.122 -14.998 1.00 0.00 C ATOM 565 CG PHE A 36 -23.751 -14.851 -15.100 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.219 -13.537 -15.281 1.00 0.00 C ATOM 567 CD2 PHE A 36 -24.673 -15.909 -14.975 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.602 -13.279 -15.332 1.00 0.00 C ATOM 569 CE2 PHE A 36 -26.056 -15.652 -15.028 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.520 -14.337 -15.205 1.00 0.00 C ATOM 0 H PHE A 36 -21.672 -16.613 -17.330 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.481 -13.791 -16.493 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -22.122 -16.165 -14.712 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.857 -14.513 -14.188 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -23.515 -12.724 -15.381 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -24.318 -16.920 -14.838 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -25.958 -12.269 -15.469 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -26.760 -16.465 -14.933 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.581 -14.139 -15.243 1.00 0.00 H new ATOM 580 N ALA A 37 -19.237 -14.468 -15.180 1.00 0.00 N ATOM 581 CA ALA A 37 -17.805 -14.649 -14.948 1.00 0.00 C ATOM 582 C ALA A 37 -17.452 -15.799 -13.979 1.00 0.00 C ATOM 583 O ALA A 37 -18.208 -16.119 -13.057 1.00 0.00 O ATOM 584 CB ALA A 37 -17.257 -13.318 -14.442 1.00 0.00 C ATOM 0 H ALA A 37 -19.651 -13.722 -14.621 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.344 -14.945 -15.890 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.187 -13.412 -14.256 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.429 -12.545 -15.191 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.763 -13.044 -13.516 1.00 0.00 H new ATOM 590 N HIS A 38 -16.258 -16.376 -14.170 1.00 0.00 N ATOM 591 CA HIS A 38 -15.693 -17.487 -13.390 1.00 0.00 C ATOM 592 C HIS A 38 -14.308 -17.097 -12.806 1.00 0.00 C ATOM 593 O HIS A 38 -13.282 -17.363 -13.444 1.00 0.00 O ATOM 594 CB HIS A 38 -15.598 -18.746 -14.286 1.00 0.00 C ATOM 595 CG HIS A 38 -16.903 -19.380 -14.720 1.00 0.00 C ATOM 596 ND1 HIS A 38 -17.053 -20.321 -15.719 1.00 0.00 N ATOM 597 CD2 HIS A 38 -18.151 -19.166 -14.199 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.358 -20.638 -15.807 1.00 0.00 C ATOM 599 NE2 HIS A 38 -19.072 -19.948 -14.906 1.00 0.00 N ATOM 0 H HIS A 38 -15.628 -16.065 -14.910 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.347 -17.710 -12.547 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.035 -18.483 -15.181 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.016 -19.498 -13.753 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.304 -20.709 -16.292 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.386 -18.504 -13.379 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.772 -21.349 -16.506 1.00 0.00 H new ATOM 607 N PRO A 39 -14.237 -16.431 -11.631 1.00 0.00 N ATOM 608 CA PRO A 39 -12.974 -15.973 -11.029 1.00 0.00 C ATOM 609 C PRO A 39 -11.994 -17.091 -10.635 1.00 0.00 C ATOM 610 O PRO A 39 -12.392 -18.197 -10.263 1.00 0.00 O ATOM 611 CB PRO A 39 -13.368 -15.170 -9.781 1.00 0.00 C ATOM 612 CG PRO A 39 -14.760 -15.685 -9.434 1.00 0.00 C ATOM 613 CD PRO A 39 -15.362 -16.029 -10.795 1.00 0.00 C ATOM 0 HA PRO A 39 -12.434 -15.390 -11.776 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.667 -15.334 -8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.378 -14.099 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.714 -16.558 -8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.349 -14.930 -8.914 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.093 -16.833 -10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.881 -15.171 -11.222 1.00 0.00 H new ATOM 621 N SER A 40 -10.697 -16.764 -10.652 1.00 0.00 N ATOM 622 CA SER A 40 -9.605 -17.640 -10.202 1.00 0.00 C ATOM 623 C SER A 40 -9.381 -17.545 -8.682 1.00 0.00 C ATOM 624 O SER A 40 -10.063 -16.801 -7.968 1.00 0.00 O ATOM 625 CB SER A 40 -8.298 -17.241 -10.904 1.00 0.00 C ATOM 626 OG SER A 40 -7.841 -16.003 -10.383 1.00 0.00 O ATOM 0 H SER A 40 -10.367 -15.859 -10.988 1.00 0.00 H new ATOM 0 HA SER A 40 -9.888 -18.663 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.542 -18.012 -10.754 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.460 -17.158 -11.979 1.00 0.00 H new ATOM 0 HG SER A 40 -8.433 -15.283 -10.685 1.00 0.00 H new ATOM 632 N LYS A 41 -8.354 -18.252 -8.193 1.00 0.00 N ATOM 633 CA LYS A 41 -7.873 -18.210 -6.802 1.00 0.00 C ATOM 634 C LYS A 41 -7.334 -16.826 -6.381 1.00 0.00 C ATOM 635 O LYS A 41 -7.225 -16.567 -5.180 1.00 0.00 O ATOM 636 CB LYS A 41 -6.773 -19.274 -6.639 1.00 0.00 C ATOM 637 CG LYS A 41 -7.331 -20.707 -6.688 1.00 0.00 C ATOM 638 CD LYS A 41 -6.210 -21.739 -6.492 1.00 0.00 C ATOM 639 CE LYS A 41 -6.713 -23.187 -6.600 1.00 0.00 C ATOM 640 NZ LYS A 41 -7.583 -23.578 -5.458 1.00 0.00 N ATOM 0 H LYS A 41 -7.814 -18.893 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.722 -18.414 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.031 -19.149 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.259 -19.119 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.087 -20.834 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.824 -20.877 -7.645 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.433 -21.572 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.751 -21.590 -5.515 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.267 -23.307 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.858 -23.862 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.895 -24.563 -5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.049 -23.491 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.414 -22.954 -5.425 1.00 0.00 H new ATOM 654 N SER A 42 -6.999 -15.946 -7.334 1.00 0.00 N ATOM 655 CA SER A 42 -6.450 -14.596 -7.096 1.00 0.00 C ATOM 656 C SER A 42 -7.415 -13.443 -7.422 1.00 0.00 C ATOM 657 O SER A 42 -7.234 -12.341 -6.900 1.00 0.00 O ATOM 658 CB SER A 42 -5.132 -14.426 -7.869 1.00 0.00 C ATOM 659 OG SER A 42 -5.313 -14.640 -9.259 1.00 0.00 O ATOM 0 H SER A 42 -7.105 -16.157 -8.326 1.00 0.00 H new ATOM 0 HA SER A 42 -6.276 -14.530 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.738 -13.423 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.391 -15.127 -7.485 1.00 0.00 H new ATOM 0 HG SER A 42 -5.229 -13.787 -9.735 1.00 0.00 H new ATOM 665 N CYS A 43 -8.440 -13.658 -8.256 1.00 0.00 N ATOM 666 CA CYS A 43 -9.420 -12.629 -8.622 1.00 0.00 C ATOM 667 C CYS A 43 -10.259 -12.126 -7.432 1.00 0.00 C ATOM 668 O CYS A 43 -10.716 -12.906 -6.592 1.00 0.00 O ATOM 669 CB CYS A 43 -10.325 -13.161 -9.737 1.00 0.00 C ATOM 670 SG CYS A 43 -9.338 -13.364 -11.249 1.00 0.00 S ATOM 0 H CYS A 43 -8.614 -14.560 -8.700 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.859 -11.763 -8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.765 -14.114 -9.443 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.150 -12.471 -9.915 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.033 -14.011 -12.137 1.00 0.00 H new ATOM 676 N GLN A 44 -10.488 -10.812 -7.385 1.00 0.00 N ATOM 677 CA GLN A 44 -11.292 -10.138 -6.359 1.00 0.00 C ATOM 678 C GLN A 44 -12.791 -10.296 -6.629 1.00 0.00 C ATOM 679 O GLN A 44 -13.235 -10.125 -7.764 1.00 0.00 O ATOM 680 CB GLN A 44 -10.932 -8.645 -6.350 1.00 0.00 C ATOM 681 CG GLN A 44 -9.548 -8.413 -5.734 1.00 0.00 C ATOM 682 CD GLN A 44 -9.000 -7.026 -6.058 1.00 0.00 C ATOM 683 OE1 GLN A 44 -8.770 -6.193 -5.191 1.00 0.00 O ATOM 684 NE2 GLN A 44 -8.754 -6.730 -7.317 1.00 0.00 N ATOM 0 H GLN A 44 -10.109 -10.168 -8.079 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.074 -10.593 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.949 -8.258 -7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.682 -8.091 -5.786 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.608 -8.535 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.856 -9.171 -6.102 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.942 -7.416 -8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.376 -5.815 -7.561 1.00 0.00 H new ATOM 693 N VAL A 45 -13.567 -10.579 -5.576 1.00 0.00 N ATOM 694 CA VAL A 45 -15.025 -10.778 -5.636 1.00 0.00 C ATOM 695 C VAL A 45 -15.727 -9.930 -4.567 1.00 0.00 C ATOM 696 O VAL A 45 -15.298 -9.907 -3.413 1.00 0.00 O ATOM 697 CB VAL A 45 -15.406 -12.263 -5.413 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.877 -12.528 -5.766 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.550 -13.278 -6.185 1.00 0.00 C ATOM 0 H VAL A 45 -13.191 -10.679 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.349 -10.472 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.219 -12.415 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.108 -13.580 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.519 -11.910 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -17.050 -12.282 -6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.894 -14.288 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.640 -13.091 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.507 -13.176 -5.886 1.00 0.00 H new ATOM 709 N GLU A 46 -16.819 -9.257 -4.935 1.00 0.00 N ATOM 710 CA GLU A 46 -17.643 -8.424 -4.042 1.00 0.00 C ATOM 711 C GLU A 46 -19.130 -8.489 -4.435 1.00 0.00 C ATOM 712 O GLU A 46 -19.474 -8.327 -5.606 1.00 0.00 O ATOM 713 CB GLU A 46 -17.190 -6.951 -4.092 1.00 0.00 C ATOM 714 CG GLU A 46 -15.799 -6.702 -3.494 1.00 0.00 C ATOM 715 CD GLU A 46 -15.510 -5.194 -3.382 1.00 0.00 C ATOM 716 OE1 GLU A 46 -14.965 -4.599 -4.344 1.00 0.00 O ATOM 717 OE2 GLU A 46 -15.819 -4.590 -2.324 1.00 0.00 O ATOM 0 H GLU A 46 -17.170 -9.274 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.516 -8.816 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.193 -6.616 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.918 -6.340 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.735 -7.163 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.041 -7.176 -4.117 1.00 0.00 H new ATOM 724 N ASN A 47 -20.014 -8.695 -3.451 1.00 0.00 N ATOM 725 CA ASN A 47 -21.483 -8.746 -3.575 1.00 0.00 C ATOM 726 C ASN A 47 -22.046 -9.497 -4.811 1.00 0.00 C ATOM 727 O ASN A 47 -23.029 -9.067 -5.423 1.00 0.00 O ATOM 728 CB ASN A 47 -22.014 -7.304 -3.451 1.00 0.00 C ATOM 729 CG ASN A 47 -23.503 -7.226 -3.132 1.00 0.00 C ATOM 730 OD1 ASN A 47 -24.072 -8.062 -2.441 1.00 0.00 O ATOM 731 ND2 ASN A 47 -24.185 -6.207 -3.608 1.00 0.00 N ATOM 0 H ASN A 47 -19.709 -8.840 -2.489 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.854 -9.371 -2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.456 -6.786 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.823 -6.774 -4.384 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -25.180 -6.118 -3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.719 -5.506 -4.184 1.00 0.00 H new ATOM 738 N GLY A 48 -21.421 -10.612 -5.205 1.00 0.00 N ATOM 739 CA GLY A 48 -21.856 -11.415 -6.358 1.00 0.00 C ATOM 740 C GLY A 48 -21.281 -10.976 -7.713 1.00 0.00 C ATOM 741 O GLY A 48 -21.789 -11.384 -8.761 1.00 0.00 O ATOM 0 H GLY A 48 -20.597 -10.986 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.578 -12.454 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.944 -11.381 -6.415 1.00 0.00 H new ATOM 745 N ARG A 49 -20.235 -10.143 -7.716 1.00 0.00 N ATOM 746 CA ARG A 49 -19.566 -9.618 -8.916 1.00 0.00 C ATOM 747 C ARG A 49 -18.041 -9.633 -8.796 1.00 0.00 C ATOM 748 O ARG A 49 -17.482 -9.752 -7.706 1.00 0.00 O ATOM 749 CB ARG A 49 -20.046 -8.188 -9.217 1.00 0.00 C ATOM 750 CG ARG A 49 -21.571 -8.023 -9.298 1.00 0.00 C ATOM 751 CD ARG A 49 -21.900 -6.677 -9.947 1.00 0.00 C ATOM 752 NE ARG A 49 -23.323 -6.567 -10.312 1.00 0.00 N ATOM 753 CZ ARG A 49 -23.817 -6.276 -11.505 1.00 0.00 C ATOM 754 NH1 ARG A 49 -23.067 -6.030 -12.546 1.00 0.00 N ATOM 755 NH2 ARG A 49 -25.106 -6.233 -11.679 1.00 0.00 N ATOM 0 H ARG A 49 -19.814 -9.802 -6.852 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.837 -10.280 -9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.663 -7.521 -8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.609 -7.865 -10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.006 -8.836 -9.879 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.008 -8.075 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.640 -5.871 -9.260 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.287 -6.546 -10.839 1.00 0.00 H new ATOM 0 HE ARG A 49 -23.999 -6.733 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -22.051 -6.057 -12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -23.497 -5.811 -13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -25.733 -6.423 -10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.489 -6.009 -12.597 1.00 0.00 H new ATOM 769 N VAL A 50 -17.385 -9.497 -9.941 1.00 0.00 N ATOM 770 CA VAL A 50 -15.930 -9.488 -10.152 1.00 0.00 C ATOM 771 C VAL A 50 -15.554 -8.387 -11.151 1.00 0.00 C ATOM 772 O VAL A 50 -16.264 -8.172 -12.130 1.00 0.00 O ATOM 773 CB VAL A 50 -15.456 -10.849 -10.704 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.464 -11.921 -9.618 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.275 -11.403 -11.880 1.00 0.00 C ATOM 0 H VAL A 50 -17.890 -9.380 -10.820 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.446 -9.300 -9.194 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.451 -10.634 -11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.125 -12.868 -10.039 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.797 -11.624 -8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.476 -12.038 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.860 -12.361 -12.193 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.311 -11.540 -11.570 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.236 -10.701 -12.713 1.00 0.00 H new ATOM 785 N ILE A 51 -14.439 -7.685 -10.941 1.00 0.00 N ATOM 786 CA ILE A 51 -13.975 -6.625 -11.861 1.00 0.00 C ATOM 787 C ILE A 51 -13.050 -7.252 -12.923 1.00 0.00 C ATOM 788 O ILE A 51 -12.265 -8.155 -12.615 1.00 0.00 O ATOM 789 CB ILE A 51 -13.305 -5.470 -11.073 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.327 -4.874 -10.080 1.00 0.00 C ATOM 791 CG2 ILE A 51 -12.775 -4.376 -12.021 1.00 0.00 C ATOM 792 CD1 ILE A 51 -13.853 -3.668 -9.263 1.00 0.00 C ATOM 0 H ILE A 51 -13.830 -7.828 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.822 -6.178 -12.382 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.451 -5.869 -10.526 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.216 -4.581 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.630 -5.659 -9.387 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.311 -3.581 -11.436 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.037 -4.807 -12.697 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.602 -3.965 -12.601 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.655 -3.338 -8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.985 -3.951 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.581 -2.856 -9.937 1.00 0.00 H new ATOM 804 N ALA A 52 -13.128 -6.788 -14.172 1.00 0.00 N ATOM 805 CA ALA A 52 -12.312 -7.298 -15.278 1.00 0.00 C ATOM 806 C ALA A 52 -10.983 -6.526 -15.444 1.00 0.00 C ATOM 807 O ALA A 52 -10.879 -5.353 -15.075 1.00 0.00 O ATOM 808 CB ALA A 52 -13.158 -7.322 -16.555 1.00 0.00 C ATOM 0 H ALA A 52 -13.765 -6.041 -14.448 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.006 -8.319 -15.049 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.557 -7.700 -17.382 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.022 -7.970 -16.407 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.498 -6.312 -16.785 1.00 0.00 H new ATOM 814 N CYS A 53 -9.962 -7.205 -15.979 1.00 0.00 N ATOM 815 CA CYS A 53 -8.602 -6.701 -16.174 1.00 0.00 C ATOM 816 C CYS A 53 -8.552 -5.629 -17.286 1.00 0.00 C ATOM 817 O CYS A 53 -8.370 -5.927 -18.473 1.00 0.00 O ATOM 818 CB CYS A 53 -7.656 -7.901 -16.418 1.00 0.00 C ATOM 819 SG CYS A 53 -5.929 -7.539 -15.945 1.00 0.00 S ATOM 0 H CYS A 53 -10.069 -8.166 -16.302 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.258 -6.187 -15.277 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.012 -8.761 -15.851 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.690 -8.178 -17.472 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.358 -8.627 -15.522 1.00 0.00 H new ATOM 824 N PHE A 54 -8.755 -4.361 -16.910 1.00 0.00 N ATOM 825 CA PHE A 54 -8.727 -3.224 -17.840 1.00 0.00 C ATOM 826 C PHE A 54 -7.388 -3.124 -18.583 1.00 0.00 C ATOM 827 O PHE A 54 -7.371 -2.811 -19.771 1.00 0.00 O ATOM 828 CB PHE A 54 -9.040 -1.910 -17.108 1.00 0.00 C ATOM 829 CG PHE A 54 -8.238 -1.655 -15.849 1.00 0.00 C ATOM 830 CD1 PHE A 54 -6.969 -1.052 -15.925 1.00 0.00 C ATOM 831 CD2 PHE A 54 -8.759 -2.035 -14.598 1.00 0.00 C ATOM 832 CE1 PHE A 54 -6.210 -0.857 -14.761 1.00 0.00 C ATOM 833 CE2 PHE A 54 -8.008 -1.822 -13.429 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.729 -1.239 -13.509 1.00 0.00 C ATOM 0 H PHE A 54 -8.945 -4.092 -15.945 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.502 -3.399 -18.586 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.873 -1.082 -17.797 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.099 -1.902 -16.850 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.578 -0.738 -16.882 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.736 -2.490 -14.536 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.227 -0.414 -14.825 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.412 -2.106 -12.469 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.147 -1.085 -12.612 1.00 0.00 H new ATOM 844 N ASP A 55 -6.269 -3.430 -17.919 1.00 0.00 N ATOM 845 CA ASP A 55 -4.945 -3.425 -18.547 1.00 0.00 C ATOM 846 C ASP A 55 -4.873 -4.410 -19.731 1.00 0.00 C ATOM 847 O ASP A 55 -4.167 -4.142 -20.704 1.00 0.00 O ATOM 848 CB ASP A 55 -3.844 -3.734 -17.520 1.00 0.00 C ATOM 849 CG ASP A 55 -3.653 -2.659 -16.441 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.467 -1.471 -16.798 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.618 -3.019 -15.238 1.00 0.00 O ATOM 0 H ASP A 55 -6.256 -3.688 -16.932 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.778 -2.421 -18.938 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.076 -4.681 -17.033 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.901 -3.870 -18.049 1.00 0.00 H new ATOM 856 N SER A 56 -5.619 -5.522 -19.712 1.00 0.00 N ATOM 857 CA SER A 56 -5.654 -6.477 -20.828 1.00 0.00 C ATOM 858 C SER A 56 -6.404 -5.890 -22.036 1.00 0.00 C ATOM 859 O SER A 56 -5.928 -5.991 -23.172 1.00 0.00 O ATOM 860 CB SER A 56 -6.250 -7.813 -20.364 1.00 0.00 C ATOM 861 OG SER A 56 -6.302 -8.738 -21.438 1.00 0.00 O ATOM 0 H SER A 56 -6.213 -5.785 -18.926 1.00 0.00 H new ATOM 0 HA SER A 56 -4.634 -6.670 -21.159 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.648 -8.223 -19.553 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.252 -7.652 -19.967 1.00 0.00 H new ATOM 0 HG SER A 56 -6.167 -9.646 -21.095 1.00 0.00 H new ATOM 867 N LEU A 57 -7.528 -5.196 -21.805 1.00 0.00 N ATOM 868 CA LEU A 57 -8.296 -4.504 -22.853 1.00 0.00 C ATOM 869 C LEU A 57 -7.526 -3.314 -23.460 1.00 0.00 C ATOM 870 O LEU A 57 -7.573 -3.100 -24.673 1.00 0.00 O ATOM 871 CB LEU A 57 -9.636 -4.010 -22.272 1.00 0.00 C ATOM 872 CG LEU A 57 -10.697 -5.107 -22.088 1.00 0.00 C ATOM 873 CD1 LEU A 57 -11.859 -4.556 -21.257 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.259 -5.603 -23.423 1.00 0.00 C ATOM 0 H LEU A 57 -7.935 -5.098 -20.875 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.471 -5.221 -23.655 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.447 -3.540 -21.307 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.039 -3.239 -22.929 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.211 -5.944 -21.587 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.613 -5.333 -21.125 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.490 -4.239 -20.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.302 -3.704 -21.772 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.004 -6.377 -23.239 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.723 -4.772 -23.954 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.451 -6.014 -24.028 1.00 0.00 H new ATOM 886 N LYS A 58 -6.818 -2.538 -22.627 1.00 0.00 N ATOM 887 CA LYS A 58 -6.034 -1.353 -23.031 1.00 0.00 C ATOM 888 C LYS A 58 -4.670 -1.674 -23.667 1.00 0.00 C ATOM 889 O LYS A 58 -4.011 -0.763 -24.169 1.00 0.00 O ATOM 890 CB LYS A 58 -5.851 -0.426 -21.812 1.00 0.00 C ATOM 891 CG LYS A 58 -7.164 0.171 -21.267 1.00 0.00 C ATOM 892 CD LYS A 58 -7.960 1.053 -22.247 1.00 0.00 C ATOM 893 CE LYS A 58 -7.168 2.220 -22.859 1.00 0.00 C ATOM 894 NZ LYS A 58 -6.780 3.238 -21.846 1.00 0.00 N ATOM 0 H LYS A 58 -6.771 -2.719 -21.624 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.606 -0.859 -23.816 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.361 -0.985 -21.015 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.181 0.389 -22.087 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.806 -0.648 -20.942 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.931 0.763 -20.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.336 0.425 -23.055 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.829 1.456 -21.726 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.271 1.832 -23.342 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.768 2.695 -23.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.249 4.003 -22.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.635 3.630 -21.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.184 2.794 -21.118 1.00 0.00 H new ATOM 908 N GLY A 59 -4.233 -2.936 -23.649 1.00 0.00 N ATOM 909 CA GLY A 59 -2.941 -3.363 -24.209 1.00 0.00 C ATOM 910 C GLY A 59 -1.762 -2.983 -23.305 1.00 0.00 C ATOM 911 O GLY A 59 -0.802 -2.342 -23.745 1.00 0.00 O ATOM 0 H GLY A 59 -4.770 -3.701 -23.241 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.950 -4.443 -24.356 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.805 -2.909 -25.190 1.00 0.00 H new ATOM 915 N ARG A 60 -1.871 -3.311 -22.013 1.00 0.00 N ATOM 916 CA ARG A 60 -0.920 -2.955 -20.947 1.00 0.00 C ATOM 917 C ARG A 60 -0.591 -4.076 -19.950 1.00 0.00 C ATOM 918 O ARG A 60 0.443 -3.987 -19.283 1.00 0.00 O ATOM 919 CB ARG A 60 -1.517 -1.743 -20.187 1.00 0.00 C ATOM 920 CG ARG A 60 -0.453 -0.822 -19.572 1.00 0.00 C ATOM 921 CD ARG A 60 0.016 0.294 -20.527 1.00 0.00 C ATOM 922 NE ARG A 60 0.331 -0.206 -21.884 1.00 0.00 N ATOM 923 CZ ARG A 60 1.353 0.092 -22.663 1.00 0.00 C ATOM 924 NH1 ARG A 60 2.271 0.955 -22.330 1.00 0.00 N ATOM 925 NH2 ARG A 60 1.452 -0.499 -23.817 1.00 0.00 N ATOM 0 H ARG A 60 -2.659 -3.856 -21.663 1.00 0.00 H new ATOM 0 HA ARG A 60 0.031 -2.734 -21.431 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.136 -1.164 -20.872 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.172 -2.107 -19.396 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.855 -0.369 -18.666 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.408 -1.421 -19.275 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.760 1.056 -20.597 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.899 0.776 -20.109 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.335 -0.874 -22.271 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.218 1.434 -21.431 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.042 1.151 -22.968 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.747 -1.178 -24.104 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.234 -0.283 -24.435 1.00 0.00 H new ATOM 939 N CYS A 61 -1.445 -5.094 -19.808 1.00 0.00 N ATOM 940 CA CYS A 61 -1.281 -6.142 -18.798 1.00 0.00 C ATOM 941 C CYS A 61 0.074 -6.884 -18.863 1.00 0.00 C ATOM 942 O CYS A 61 0.390 -7.593 -19.826 1.00 0.00 O ATOM 943 CB CYS A 61 -2.490 -7.091 -18.806 1.00 0.00 C ATOM 944 SG CYS A 61 -2.552 -8.013 -17.236 1.00 0.00 S ATOM 0 H CYS A 61 -2.272 -5.214 -20.393 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.252 -5.641 -17.831 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.410 -6.523 -18.943 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.416 -7.784 -19.644 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.733 -7.891 -16.707 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.623 -11.388 -11.649 1.00 0.00 N ATOM 1014 CA CYS A 66 -3.878 -10.679 -11.889 1.00 0.00 C ATOM 1015 C CYS A 66 -4.887 -10.940 -10.759 1.00 0.00 C ATOM 1016 O CYS A 66 -5.062 -12.070 -10.289 1.00 0.00 O ATOM 1017 CB CYS A 66 -4.476 -11.082 -13.249 1.00 0.00 C ATOM 1018 SG CYS A 66 -3.570 -10.336 -14.639 1.00 0.00 S ATOM 0 HA CYS A 66 -3.661 -9.611 -11.907 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.458 -12.168 -13.346 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.521 -10.775 -13.291 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.283 -10.430 -15.722 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.589 -9.874 -10.369 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.665 -9.872 -9.362 1.00 0.00 C ATOM 1025 C LYS A 67 -8.011 -9.498 -9.992 1.00 0.00 C ATOM 1026 O LYS A 67 -8.958 -9.132 -9.291 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.315 -8.925 -8.206 1.00 0.00 C ATOM 1028 CG LYS A 67 -4.868 -9.056 -7.713 1.00 0.00 C ATOM 1029 CD LYS A 67 -4.640 -8.376 -6.353 1.00 0.00 C ATOM 1030 CE LYS A 67 -4.980 -6.879 -6.378 1.00 0.00 C ATOM 1031 NZ LYS A 67 -4.726 -6.238 -5.059 1.00 0.00 N ATOM 0 H LYS A 67 -5.420 -8.947 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.759 -10.881 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.488 -7.897 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.991 -9.118 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.610 -10.112 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.196 -8.618 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.249 -8.871 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.599 -8.504 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.385 -6.383 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.027 -6.747 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.966 -5.228 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.312 -6.696 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.722 -6.342 -4.810 1.00 0.00 H new ATOM 1045 N TYR A 68 -8.055 -9.565 -11.320 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.147 -9.172 -12.194 1.00 0.00 C ATOM 1047 C TYR A 68 -9.342 -10.184 -13.339 1.00 0.00 C ATOM 1048 O TYR A 68 -8.395 -10.839 -13.780 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.789 -7.790 -12.752 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.464 -6.735 -11.711 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -9.509 -6.034 -11.083 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -7.125 -6.480 -11.344 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -9.224 -5.077 -10.091 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -6.835 -5.528 -10.350 1.00 0.00 C ATOM 1055 CZ TYR A 68 -7.886 -4.824 -9.720 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.622 -3.943 -8.717 1.00 0.00 O ATOM 0 H TYR A 68 -7.262 -9.925 -11.851 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.086 -9.144 -11.641 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.933 -7.896 -13.418 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.622 -7.434 -13.358 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.533 -6.231 -11.363 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.322 -7.017 -11.827 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.028 -4.537 -9.614 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.810 -5.335 -10.069 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.653 -3.881 -8.582 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.579 -10.316 -13.820 1.00 0.00 N ATOM 1067 CA LEU A 69 -10.965 -11.253 -14.886 1.00 0.00 C ATOM 1068 C LEU A 69 -10.484 -10.808 -16.275 1.00 0.00 C ATOM 1069 O LEU A 69 -10.897 -9.752 -16.747 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.508 -11.368 -14.913 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.138 -12.438 -14.012 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.872 -13.848 -14.541 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.656 -12.361 -12.569 1.00 0.00 C ATOM 0 H LEU A 69 -11.362 -9.762 -13.473 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.492 -12.210 -14.665 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.926 -10.401 -14.634 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.816 -11.564 -15.940 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.208 -12.231 -14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.333 -14.579 -13.877 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.296 -13.948 -15.540 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.797 -14.024 -14.583 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.138 -13.143 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.575 -12.498 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.910 -11.386 -12.152 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.694 -11.624 -16.981 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.353 -11.339 -18.385 1.00 0.00 C ATOM 1087 C HIS A 70 -10.613 -11.616 -19.238 1.00 0.00 C ATOM 1088 O HIS A 70 -11.083 -12.758 -19.239 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.178 -12.200 -18.868 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.821 -11.585 -18.629 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.775 -11.569 -19.527 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.426 -10.857 -17.538 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.789 -10.823 -18.999 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.139 -10.365 -17.790 1.00 0.00 N ATOM 0 H HIS A 70 -9.281 -12.480 -16.611 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.041 -10.299 -18.482 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.220 -13.167 -18.366 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.296 -12.390 -19.935 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.753 -12.040 -20.432 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.005 -10.692 -16.641 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.845 -10.621 -19.483 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.192 -10.613 -19.930 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.430 -10.746 -20.706 1.00 0.00 C ATOM 1104 C PRO A 71 -12.503 -11.947 -21.675 1.00 0.00 C ATOM 1105 O PRO A 71 -11.794 -11.953 -22.688 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.579 -9.421 -21.456 1.00 0.00 C ATOM 1107 CG PRO A 71 -11.929 -8.433 -20.501 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.738 -9.229 -19.979 1.00 0.00 C ATOM 0 HA PRO A 71 -13.248 -10.956 -20.017 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.077 -9.442 -22.423 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.624 -9.176 -21.645 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.618 -7.520 -21.009 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.605 -8.137 -19.699 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.875 -9.121 -20.636 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.434 -8.880 -18.992 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.361 -12.957 -21.418 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.538 -14.085 -22.330 1.00 0.00 C ATOM 1118 C PRO A 72 -14.354 -13.671 -23.571 1.00 0.00 C ATOM 1119 O PRO A 72 -15.171 -12.749 -23.489 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.262 -15.155 -21.510 1.00 0.00 C ATOM 1121 CG PRO A 72 -15.053 -14.362 -20.479 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.231 -13.094 -20.257 1.00 0.00 C ATOM 0 HA PRO A 72 -12.586 -14.453 -22.713 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.918 -15.761 -22.136 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.557 -15.837 -21.034 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.054 -14.128 -20.842 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.173 -14.924 -19.553 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.880 -12.224 -20.153 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.646 -13.166 -19.340 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.194 -14.347 -24.726 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.883 -13.995 -25.974 1.00 0.00 C ATOM 1132 C PRO A 73 -16.413 -13.921 -25.863 1.00 0.00 C ATOM 1133 O PRO A 73 -17.031 -13.063 -26.494 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.402 -15.010 -27.020 1.00 0.00 C ATOM 1135 CG PRO A 73 -13.831 -16.166 -26.201 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.304 -15.475 -24.948 1.00 0.00 C ATOM 0 HA PRO A 73 -14.628 -12.975 -26.262 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.222 -15.342 -27.656 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.646 -14.577 -27.675 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.594 -16.906 -25.962 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.038 -16.687 -26.738 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.308 -16.153 -24.094 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.275 -15.143 -25.086 1.00 0.00 H new ATOM 1144 N HIS A 74 -17.032 -14.775 -25.037 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.489 -14.780 -24.816 1.00 0.00 C ATOM 1146 C HIS A 74 -19.004 -13.637 -23.918 1.00 0.00 C ATOM 1147 O HIS A 74 -20.208 -13.382 -23.901 1.00 0.00 O ATOM 1148 CB HIS A 74 -18.901 -16.170 -24.296 1.00 0.00 C ATOM 1149 CG HIS A 74 -20.384 -16.430 -24.379 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -21.244 -16.599 -23.311 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -21.113 -16.569 -25.527 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -22.475 -16.845 -23.798 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -22.421 -16.824 -25.147 1.00 0.00 N ATOM 0 H HIS A 74 -16.536 -15.486 -24.500 1.00 0.00 H new ATOM 0 HA HIS A 74 -18.971 -14.584 -25.774 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.374 -16.934 -24.868 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -18.580 -16.271 -23.259 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -20.990 -16.547 -22.324 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -20.740 -16.494 -26.538 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -23.360 -17.029 -23.207 1.00 0.00 H new ATOM 1162 N LEU A 75 -18.121 -12.922 -23.204 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.479 -11.786 -22.335 1.00 0.00 C ATOM 1164 C LEU A 75 -17.902 -10.445 -22.796 1.00 0.00 C ATOM 1165 O LEU A 75 -18.402 -9.407 -22.361 1.00 0.00 O ATOM 1166 CB LEU A 75 -18.096 -12.060 -20.877 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.751 -13.300 -20.246 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.259 -13.471 -18.810 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -20.268 -13.168 -20.202 1.00 0.00 C ATOM 0 H LEU A 75 -17.120 -13.119 -23.213 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.562 -11.695 -22.411 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.013 -12.172 -20.818 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.359 -11.187 -20.280 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.479 -14.158 -20.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.726 -14.351 -18.368 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.176 -13.596 -18.809 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.523 -12.588 -18.227 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.698 -14.062 -19.750 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.540 -12.295 -19.609 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.653 -13.053 -21.215 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.922 -10.422 -23.713 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.424 -9.169 -24.310 1.00 0.00 C ATOM 1183 C LYS A 76 -17.579 -8.365 -24.922 1.00 0.00 C ATOM 1184 O LYS A 76 -17.567 -7.142 -24.846 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.324 -9.449 -25.346 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.970 -9.719 -24.660 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.887 -10.227 -25.621 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.547 -9.200 -26.712 1.00 0.00 C ATOM 1189 NZ LYS A 76 -11.454 -9.684 -27.598 1.00 0.00 N ATOM 0 H LYS A 76 -16.456 -11.260 -24.060 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.980 -8.567 -23.518 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.604 -10.308 -25.955 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.230 -8.598 -26.020 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.622 -8.801 -24.186 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.114 -10.453 -23.867 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.986 -10.465 -25.056 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.224 -11.152 -26.088 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.436 -8.994 -27.309 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.250 -8.260 -26.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.251 -8.966 -28.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.599 -9.856 -27.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.747 -10.568 -28.060 1.00 0.00 H new ATOM 1203 N THR A 77 -18.608 -9.038 -25.450 1.00 0.00 N ATOM 1204 CA THR A 77 -19.833 -8.414 -25.982 1.00 0.00 C ATOM 1205 C THR A 77 -20.606 -7.665 -24.888 1.00 0.00 C ATOM 1206 O THR A 77 -21.032 -6.532 -25.100 1.00 0.00 O ATOM 1207 CB THR A 77 -20.750 -9.485 -26.602 1.00 0.00 C ATOM 1208 OG1 THR A 77 -20.006 -10.313 -27.472 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.892 -8.880 -27.418 1.00 0.00 C ATOM 0 H THR A 77 -18.616 -10.055 -25.523 1.00 0.00 H new ATOM 0 HA THR A 77 -19.528 -7.697 -26.745 1.00 0.00 H new ATOM 0 HB THR A 77 -21.168 -10.049 -25.768 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.596 -10.992 -27.861 1.00 0.00 H new ATOM 0 HG21 THR A 77 -22.507 -9.679 -27.832 1.00 0.00 H new ATOM 0 HG22 THR A 77 -22.504 -8.248 -26.775 1.00 0.00 H new ATOM 0 HG23 THR A 77 -21.481 -8.281 -28.230 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.741 -8.249 -23.690 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.397 -7.595 -22.553 1.00 0.00 C ATOM 1219 C GLN A 78 -20.567 -6.389 -22.087 1.00 0.00 C ATOM 1220 O GLN A 78 -21.108 -5.298 -21.908 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.584 -8.586 -21.390 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.556 -9.745 -21.682 1.00 0.00 C ATOM 1223 CD GLN A 78 -22.815 -10.631 -20.455 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -22.618 -10.250 -19.308 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -23.273 -11.852 -20.641 1.00 0.00 N ATOM 0 H GLN A 78 -20.398 -9.187 -23.483 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.379 -7.249 -22.875 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.612 -9.003 -21.126 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -21.944 -8.039 -20.519 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.503 -9.338 -22.036 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.151 -10.358 -22.487 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -23.445 -12.193 -21.587 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -23.455 -12.456 -19.839 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.248 -6.563 -21.924 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.342 -5.478 -21.518 1.00 0.00 C ATOM 1236 C LEU A 79 -18.297 -4.318 -22.526 1.00 0.00 C ATOM 1237 O LEU A 79 -18.298 -3.161 -22.113 1.00 0.00 O ATOM 1238 CB LEU A 79 -16.939 -6.034 -21.235 1.00 0.00 C ATOM 1239 CG LEU A 79 -16.876 -7.032 -20.062 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.415 -7.347 -19.767 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.529 -6.483 -18.793 1.00 0.00 C ATOM 0 H LEU A 79 -18.779 -7.457 -22.069 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.744 -5.053 -20.598 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.567 -6.525 -22.134 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.267 -5.202 -21.025 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.425 -7.926 -20.356 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.355 -8.053 -18.938 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.952 -7.785 -20.651 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.892 -6.429 -19.500 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.458 -7.224 -17.997 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.017 -5.571 -18.486 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.578 -6.262 -18.990 1.00 0.00 H new ATOM 1253 N GLU A 80 -18.319 -4.602 -23.831 1.00 0.00 N ATOM 1254 CA GLU A 80 -18.398 -3.599 -24.907 1.00 0.00 C ATOM 1255 C GLU A 80 -19.595 -2.666 -24.683 1.00 0.00 C ATOM 1256 O GLU A 80 -19.476 -1.441 -24.655 1.00 0.00 O ATOM 1257 CB GLU A 80 -18.637 -4.309 -26.260 1.00 0.00 C ATOM 1258 CG GLU A 80 -17.422 -4.618 -27.122 1.00 0.00 C ATOM 1259 CD GLU A 80 -16.726 -3.338 -27.622 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -15.521 -3.143 -27.336 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -17.385 -2.519 -28.308 1.00 0.00 O ATOM 0 H GLU A 80 -18.282 -5.559 -24.182 1.00 0.00 H new ATOM 0 HA GLU A 80 -17.465 -3.036 -24.909 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -19.153 -5.248 -26.059 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -19.316 -3.691 -26.847 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.713 -5.215 -26.548 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -17.728 -5.221 -27.977 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.767 -3.283 -24.535 1.00 0.00 N ATOM 1269 CA ILE A 81 -22.069 -2.633 -24.388 1.00 0.00 C ATOM 1270 C ILE A 81 -22.174 -1.898 -23.044 1.00 0.00 C ATOM 1271 O ILE A 81 -22.681 -0.775 -23.002 1.00 0.00 O ATOM 1272 CB ILE A 81 -23.142 -3.710 -24.671 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -23.040 -4.077 -26.179 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.564 -3.251 -24.322 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.682 -5.405 -26.579 1.00 0.00 C ATOM 0 H ILE A 81 -20.838 -4.300 -24.513 1.00 0.00 H new ATOM 0 HA ILE A 81 -22.224 -1.829 -25.107 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.952 -4.574 -24.035 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -23.503 -3.280 -26.761 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -21.987 -4.104 -26.458 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -25.269 -4.052 -24.544 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.617 -3.004 -23.262 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.817 -2.371 -24.912 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -23.554 -5.563 -27.650 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.205 -6.219 -26.032 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.745 -5.382 -26.340 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.614 -2.456 -21.964 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.527 -1.775 -20.670 1.00 0.00 C ATOM 1289 C ASN A 82 -20.653 -0.510 -20.789 1.00 0.00 C ATOM 1290 O ASN A 82 -21.031 0.545 -20.282 1.00 0.00 O ATOM 1291 CB ASN A 82 -20.937 -2.710 -19.597 1.00 0.00 C ATOM 1292 CG ASN A 82 -21.826 -3.844 -19.122 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -22.977 -4.007 -19.502 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -21.306 -4.643 -18.216 1.00 0.00 N ATOM 0 H ASN A 82 -21.209 -3.392 -21.964 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.536 -1.490 -20.371 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.016 -3.141 -19.989 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.663 -2.106 -18.732 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -21.863 -5.403 -17.827 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -20.346 -4.502 -17.903 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.502 -0.594 -21.469 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.577 0.527 -21.677 1.00 0.00 C ATOM 1303 C GLY A 83 -19.203 1.655 -22.497 1.00 0.00 C ATOM 1304 O GLY A 83 -19.139 2.823 -22.107 1.00 0.00 O ATOM 0 H GLY A 83 -19.181 -1.462 -21.899 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.260 0.917 -20.710 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.682 0.167 -22.184 1.00 0.00 H new