USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=21 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= 0.646 USER MOD Set 1.2: A 61 CYS SG : rot 129:sc= 0.683 USER MOD Set 1.3: A 66 CYS SG : rot -172:sc= 0.462 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.212 K(o=2,f=0.63) USER MOD Set 2.1: A 44 GLN : amide:sc= 1.89 K(o=2.9,f=-1.9) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 154:sc= 0.972 (180deg=0) USER MOD Set 3.1: A 40 SER OG : rot -49:sc= 0.649 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0.789 USER MOD Set 4.1: A 19 CYS SG : rot -172:sc= 0.147 USER MOD Set 4.2: A 27 CYS SG : rot -110:sc= 1.54 USER MOD Set 4.3: A 34 CYS SG : rot 116:sc= -0.22! USER MOD Set 4.4: A 35 LYS NZ :NH3+ -167:sc= 0.692 (180deg=0) USER MOD Set 4.5: A 38 HIS : no HE2:sc= -0.717 K(o=1.4,f=-2.4) USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00877 USER MOD Single : A 23 GLN : amide:sc= 0.796 K(o=0.8,f=-0.11) USER MOD Single : A 26 THR OG1 : rot -38:sc= 0.349 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0115 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= 0.642 K(o=0.64,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.7!) 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 K(o=0,f=-0.59) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.610 -0.441 -15.484 1.00 0.00 N ATOM 191 CA TRP A 13 -18.932 -1.249 -16.675 1.00 0.00 C ATOM 192 C TRP A 13 -18.242 -2.629 -16.706 1.00 0.00 C ATOM 193 O TRP A 13 -18.718 -3.547 -17.379 1.00 0.00 O ATOM 194 CB TRP A 13 -18.627 -0.426 -17.941 1.00 0.00 C ATOM 195 CG TRP A 13 -17.347 -0.691 -18.675 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.139 -1.724 -19.523 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.113 0.088 -18.696 1.00 0.00 C ATOM 198 NE1 TRP A 13 -15.887 -1.623 -20.090 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.202 -0.533 -19.604 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.668 1.251 -18.035 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.911 -0.038 -19.834 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.374 1.759 -18.262 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.493 1.113 -19.147 1.00 0.00 C ATOM 0 HA TRP A 13 -19.996 -1.481 -16.633 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.448 -0.578 -18.641 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.637 0.628 -17.662 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.849 -2.512 -19.726 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.515 -2.274 -20.782 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.327 1.759 -17.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.249 -0.534 -20.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.055 2.655 -17.750 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.497 1.501 -19.298 1.00 0.00 H new ATOM 214 N LEU A 14 -17.128 -2.767 -15.974 1.00 0.00 N ATOM 215 CA LEU A 14 -16.272 -3.957 -15.874 1.00 0.00 C ATOM 216 C LEU A 14 -16.641 -4.910 -14.728 1.00 0.00 C ATOM 217 O LEU A 14 -16.115 -6.020 -14.669 1.00 0.00 O ATOM 218 CB LEU A 14 -14.821 -3.483 -15.653 1.00 0.00 C ATOM 219 CG LEU A 14 -14.232 -2.646 -16.799 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.884 -2.083 -16.367 1.00 0.00 C ATOM 221 CD2 LEU A 14 -14.003 -3.469 -18.066 1.00 0.00 C ATOM 0 H LEU A 14 -16.778 -2.001 -15.399 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.405 -4.517 -16.800 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.782 -2.895 -14.736 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.188 -4.357 -15.498 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.951 -1.858 -17.020 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.462 -1.488 -17.177 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.018 -1.454 -15.487 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.207 -2.903 -16.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.586 -2.830 -18.844 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.308 -4.281 -17.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.952 -3.884 -18.407 1.00 0.00 H new ATOM 233 N THR A 15 -17.502 -4.484 -13.803 1.00 0.00 N ATOM 234 CA THR A 15 -17.917 -5.262 -12.622 1.00 0.00 C ATOM 235 C THR A 15 -18.979 -6.312 -13.001 1.00 0.00 C ATOM 236 O THR A 15 -20.173 -6.157 -12.734 1.00 0.00 O ATOM 237 CB THR A 15 -18.373 -4.334 -11.480 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.469 -3.267 -11.271 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.455 -5.052 -10.135 1.00 0.00 C ATOM 0 H THR A 15 -17.944 -3.566 -13.850 1.00 0.00 H new ATOM 0 HA THR A 15 -17.054 -5.812 -12.247 1.00 0.00 H new ATOM 0 HB THR A 15 -19.353 -3.980 -11.800 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.795 -2.701 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.781 -4.350 -9.367 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.169 -5.873 -10.204 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.473 -5.446 -9.873 1.00 0.00 H new ATOM 247 N LEU A 16 -18.536 -7.379 -13.668 1.00 0.00 N ATOM 248 CA LEU A 16 -19.341 -8.495 -14.177 1.00 0.00 C ATOM 249 C LEU A 16 -19.769 -9.453 -13.051 1.00 0.00 C ATOM 250 O LEU A 16 -19.010 -9.698 -12.116 1.00 0.00 O ATOM 251 CB LEU A 16 -18.472 -9.224 -15.220 1.00 0.00 C ATOM 252 CG LEU A 16 -19.219 -10.149 -16.197 1.00 0.00 C ATOM 253 CD1 LEU A 16 -20.490 -9.545 -16.802 1.00 0.00 C ATOM 254 CD2 LEU A 16 -18.275 -10.451 -17.359 1.00 0.00 C ATOM 0 H LEU A 16 -17.545 -7.496 -13.881 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.265 -8.124 -14.622 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.933 -8.475 -15.801 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.725 -9.816 -14.691 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.520 -11.026 -15.624 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.950 -10.266 -17.477 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.190 -9.297 -16.004 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.236 -8.641 -17.355 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.774 -11.106 -18.073 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.998 -9.520 -17.854 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.378 -10.942 -16.981 1.00 0.00 H new ATOM 266 N GLU A 17 -20.975 -10.017 -13.116 1.00 0.00 N ATOM 267 CA GLU A 17 -21.438 -10.964 -12.088 1.00 0.00 C ATOM 268 C GLU A 17 -20.679 -12.300 -12.141 1.00 0.00 C ATOM 269 O GLU A 17 -20.272 -12.747 -13.218 1.00 0.00 O ATOM 270 CB GLU A 17 -22.945 -11.234 -12.203 1.00 0.00 C ATOM 271 CG GLU A 17 -23.796 -9.957 -12.143 1.00 0.00 C ATOM 272 CD GLU A 17 -25.116 -10.148 -11.371 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.818 -11.169 -11.574 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.451 -9.253 -10.556 1.00 0.00 O ATOM 0 H GLU A 17 -21.648 -9.840 -13.861 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.232 -10.487 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.144 -11.751 -13.141 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.250 -11.904 -11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.217 -9.163 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -24.020 -9.628 -13.158 1.00 0.00 H new ATOM 281 N VAL A 18 -20.538 -12.967 -10.990 1.00 0.00 N ATOM 282 CA VAL A 18 -19.956 -14.321 -10.922 1.00 0.00 C ATOM 283 C VAL A 18 -21.036 -15.355 -11.265 1.00 0.00 C ATOM 284 O VAL A 18 -22.217 -15.134 -10.970 1.00 0.00 O ATOM 285 CB VAL A 18 -19.338 -14.651 -9.546 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.267 -13.628 -9.161 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.342 -14.762 -8.392 1.00 0.00 C ATOM 0 H VAL A 18 -20.820 -12.592 -10.084 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.142 -14.356 -11.646 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.904 -15.641 -9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -17.850 -13.887 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.474 -13.633 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.713 -12.635 -9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.811 -14.996 -7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.870 -13.815 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.059 -15.554 -8.609 1.00 0.00 H new ATOM 297 N CYS A 19 -20.660 -16.486 -11.866 1.00 0.00 N ATOM 298 CA CYS A 19 -21.632 -17.533 -12.185 1.00 0.00 C ATOM 299 C CYS A 19 -22.213 -18.153 -10.906 1.00 0.00 C ATOM 300 O CYS A 19 -21.489 -18.518 -9.973 1.00 0.00 O ATOM 301 CB CYS A 19 -21.003 -18.581 -13.092 1.00 0.00 C ATOM 302 SG CYS A 19 -22.269 -19.766 -13.625 1.00 0.00 S ATOM 0 H CYS A 19 -19.701 -16.699 -12.139 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.464 -17.084 -12.727 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.552 -18.101 -13.960 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.204 -19.101 -12.564 1.00 0.00 H new ATOM 0 HG CYS A 19 -21.702 -20.753 -14.253 1.00 0.00 H new ATOM 307 N ARG A 20 -23.545 -18.245 -10.872 1.00 0.00 N ATOM 308 CA ARG A 20 -24.339 -18.754 -9.748 1.00 0.00 C ATOM 309 C ARG A 20 -24.162 -20.260 -9.551 1.00 0.00 C ATOM 310 O ARG A 20 -24.163 -20.730 -8.413 1.00 0.00 O ATOM 311 CB ARG A 20 -25.826 -18.415 -9.964 1.00 0.00 C ATOM 312 CG ARG A 20 -26.175 -16.908 -9.990 1.00 0.00 C ATOM 313 CD ARG A 20 -25.813 -16.180 -11.301 1.00 0.00 C ATOM 314 NE ARG A 20 -26.322 -14.792 -11.351 1.00 0.00 N ATOM 315 CZ ARG A 20 -27.517 -14.385 -11.740 1.00 0.00 C ATOM 316 NH1 ARG A 20 -27.774 -13.115 -11.841 1.00 0.00 N ATOM 317 NH2 ARG A 20 -28.477 -15.216 -12.037 1.00 0.00 N ATOM 0 H ARG A 20 -24.125 -17.955 -11.659 1.00 0.00 H new ATOM 0 HA ARG A 20 -23.979 -18.267 -8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.148 -18.860 -10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.406 -18.890 -9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.244 -16.794 -9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.660 -16.416 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.729 -16.168 -11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.217 -16.740 -12.144 1.00 0.00 H new ATOM 0 HE ARG A 20 -25.674 -14.064 -11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -27.052 -12.429 -11.620 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -28.698 -12.804 -12.142 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -28.319 -16.222 -11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -29.386 -14.860 -12.333 1.00 0.00 H new ATOM 331 N GLU A 21 -23.973 -21.013 -10.633 1.00 0.00 N ATOM 332 CA GLU A 21 -23.755 -22.463 -10.587 1.00 0.00 C ATOM 333 C GLU A 21 -22.311 -22.790 -10.175 1.00 0.00 C ATOM 334 O GLU A 21 -22.059 -23.750 -9.443 1.00 0.00 O ATOM 335 CB GLU A 21 -24.053 -23.089 -11.956 1.00 0.00 C ATOM 336 CG GLU A 21 -25.490 -22.873 -12.459 1.00 0.00 C ATOM 337 CD GLU A 21 -26.537 -23.545 -11.549 1.00 0.00 C ATOM 338 OE1 GLU A 21 -27.060 -22.881 -10.621 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.859 -24.738 -11.766 1.00 0.00 O ATOM 0 H GLU A 21 -23.966 -20.632 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 21 -24.433 -22.881 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.360 -22.676 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.858 -24.160 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.695 -21.804 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.582 -23.270 -13.470 1.00 0.00 H new ATOM 346 N PHE A 22 -21.354 -21.956 -10.590 1.00 0.00 N ATOM 347 CA PHE A 22 -19.944 -22.058 -10.209 1.00 0.00 C ATOM 348 C PHE A 22 -19.759 -21.879 -8.693 1.00 0.00 C ATOM 349 O PHE A 22 -18.850 -22.477 -8.116 1.00 0.00 O ATOM 350 CB PHE A 22 -19.166 -21.013 -11.008 1.00 0.00 C ATOM 351 CG PHE A 22 -17.656 -21.002 -10.861 1.00 0.00 C ATOM 352 CD1 PHE A 22 -17.037 -20.089 -9.985 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.861 -21.836 -11.671 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.635 -20.011 -9.916 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.458 -21.765 -11.595 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.845 -20.851 -10.720 1.00 0.00 C ATOM 0 H PHE A 22 -21.543 -21.173 -11.215 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.563 -23.052 -10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.400 -21.153 -12.063 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.539 -20.028 -10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.642 -19.446 -9.363 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.329 -22.531 -12.352 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.165 -19.306 -9.246 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.851 -22.413 -12.210 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.768 -20.794 -10.666 1.00 0.00 H new ATOM 366 N GLN A 23 -20.658 -21.140 -8.018 1.00 0.00 N ATOM 367 CA GLN A 23 -20.618 -20.997 -6.550 1.00 0.00 C ATOM 368 C GLN A 23 -20.876 -22.326 -5.813 1.00 0.00 C ATOM 369 O GLN A 23 -20.505 -22.475 -4.647 1.00 0.00 O ATOM 370 CB GLN A 23 -21.603 -19.932 -6.031 1.00 0.00 C ATOM 371 CG GLN A 23 -21.449 -18.521 -6.614 1.00 0.00 C ATOM 372 CD GLN A 23 -19.998 -18.073 -6.761 1.00 0.00 C ATOM 373 OE1 GLN A 23 -19.283 -17.840 -5.794 1.00 0.00 O ATOM 374 NE2 GLN A 23 -19.504 -17.948 -7.973 1.00 0.00 N ATOM 0 H GLN A 23 -21.421 -20.632 -8.465 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.601 -20.670 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.617 -20.277 -6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.498 -19.868 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.931 -18.486 -7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.975 -17.813 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -20.091 -18.140 -8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.534 -17.660 -8.101 1.00 0.00 H new ATOM 383 N ARG A 24 -21.482 -23.303 -6.506 1.00 0.00 N ATOM 384 CA ARG A 24 -21.771 -24.666 -6.028 1.00 0.00 C ATOM 385 C ARG A 24 -20.921 -25.718 -6.768 1.00 0.00 C ATOM 386 O ARG A 24 -21.159 -26.919 -6.628 1.00 0.00 O ATOM 387 CB ARG A 24 -23.285 -24.965 -6.143 1.00 0.00 C ATOM 388 CG ARG A 24 -24.187 -24.124 -5.223 1.00 0.00 C ATOM 389 CD ARG A 24 -24.623 -22.782 -5.830 1.00 0.00 C ATOM 390 NE ARG A 24 -25.487 -22.035 -4.896 1.00 0.00 N ATOM 391 CZ ARG A 24 -25.952 -20.809 -5.055 1.00 0.00 C ATOM 392 NH1 ARG A 24 -25.691 -20.094 -6.113 1.00 0.00 N ATOM 393 NH2 ARG A 24 -26.699 -20.267 -4.136 1.00 0.00 N ATOM 0 H ARG A 24 -21.800 -23.157 -7.464 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.495 -24.726 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -23.594 -24.804 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -23.449 -26.020 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -25.076 -24.704 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -23.659 -23.934 -4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -23.743 -22.186 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -25.157 -22.958 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.753 -22.516 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -25.108 -20.478 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.070 -19.151 -6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -26.927 -20.790 -3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -27.056 -19.320 -4.262 1.00 0.00 H new ATOM 407 N GLY A 25 -19.926 -25.280 -7.551 1.00 0.00 N ATOM 408 CA GLY A 25 -19.018 -26.130 -8.329 1.00 0.00 C ATOM 409 C GLY A 25 -19.721 -27.046 -9.338 1.00 0.00 C ATOM 410 O GLY A 25 -19.304 -28.193 -9.511 1.00 0.00 O ATOM 0 H GLY A 25 -19.725 -24.286 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.312 -25.494 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.436 -26.744 -7.642 1.00 0.00 H new ATOM 414 N THR A 26 -20.806 -26.571 -9.969 1.00 0.00 N ATOM 415 CA THR A 26 -21.638 -27.374 -10.890 1.00 0.00 C ATOM 416 C THR A 26 -21.946 -26.706 -12.244 1.00 0.00 C ATOM 417 O THR A 26 -22.783 -27.212 -13.000 1.00 0.00 O ATOM 418 CB THR A 26 -22.899 -27.853 -10.139 1.00 0.00 C ATOM 419 OG1 THR A 26 -23.561 -28.896 -10.826 1.00 0.00 O ATOM 420 CG2 THR A 26 -23.909 -26.743 -9.847 1.00 0.00 C ATOM 0 H THR A 26 -21.136 -25.613 -9.856 1.00 0.00 H new ATOM 0 HA THR A 26 -21.048 -28.240 -11.190 1.00 0.00 H new ATOM 0 HB THR A 26 -22.518 -28.217 -9.185 1.00 0.00 H new ATOM 0 HG1 THR A 26 -23.530 -28.724 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 26 -24.766 -27.160 -9.318 1.00 0.00 H new ATOM 0 HG22 THR A 26 -23.439 -25.977 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 26 -24.243 -26.299 -10.785 1.00 0.00 H new ATOM 428 N CYS A 27 -21.270 -25.601 -12.592 1.00 0.00 N ATOM 429 CA CYS A 27 -21.436 -24.943 -13.895 1.00 0.00 C ATOM 430 C CYS A 27 -21.034 -25.894 -15.053 1.00 0.00 C ATOM 431 O CYS A 27 -20.056 -26.648 -14.958 1.00 0.00 O ATOM 432 CB CYS A 27 -20.662 -23.615 -13.911 1.00 0.00 C ATOM 433 SG CYS A 27 -21.078 -22.707 -15.431 1.00 0.00 S ATOM 0 H CYS A 27 -20.596 -25.141 -11.981 1.00 0.00 H new ATOM 0 HA CYS A 27 -22.488 -24.706 -14.051 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.918 -23.019 -13.035 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.589 -23.804 -13.866 1.00 0.00 H new ATOM 0 HG CYS A 27 -20.048 -22.693 -16.224 1.00 0.00 H new ATOM 438 N SER A 28 -21.812 -25.880 -16.139 1.00 0.00 N ATOM 439 CA SER A 28 -21.660 -26.742 -17.322 1.00 0.00 C ATOM 440 C SER A 28 -20.746 -26.195 -18.433 1.00 0.00 C ATOM 441 O SER A 28 -20.581 -26.857 -19.464 1.00 0.00 O ATOM 442 CB SER A 28 -23.055 -27.036 -17.896 1.00 0.00 C ATOM 443 OG SER A 28 -23.723 -25.833 -18.256 1.00 0.00 O ATOM 0 H SER A 28 -22.601 -25.240 -16.225 1.00 0.00 H new ATOM 0 HA SER A 28 -21.158 -27.644 -16.971 1.00 0.00 H new ATOM 0 HB2 SER A 28 -22.964 -27.681 -18.770 1.00 0.00 H new ATOM 0 HB3 SER A 28 -23.648 -27.579 -17.160 1.00 0.00 H new ATOM 0 HG SER A 28 -24.607 -26.046 -18.620 1.00 0.00 H new ATOM 449 N ARG A 29 -20.146 -25.006 -18.261 1.00 0.00 N ATOM 450 CA ARG A 29 -19.295 -24.331 -19.259 1.00 0.00 C ATOM 451 C ARG A 29 -17.973 -23.804 -18.667 1.00 0.00 C ATOM 452 O ARG A 29 -17.963 -23.337 -17.527 1.00 0.00 O ATOM 453 CB ARG A 29 -20.082 -23.138 -19.819 1.00 0.00 C ATOM 454 CG ARG A 29 -21.265 -23.545 -20.712 1.00 0.00 C ATOM 455 CD ARG A 29 -21.887 -22.288 -21.323 1.00 0.00 C ATOM 456 NE ARG A 29 -22.920 -22.603 -22.326 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.202 -21.902 -23.411 1.00 0.00 C ATOM 458 NH1 ARG A 29 -22.578 -20.799 -23.723 1.00 0.00 N ATOM 459 NH2 ARG A 29 -24.141 -22.303 -24.219 1.00 0.00 N ATOM 0 H ARG A 29 -20.242 -24.470 -17.398 1.00 0.00 H new ATOM 0 HA ARG A 29 -19.039 -25.061 -20.027 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -20.454 -22.537 -18.989 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -19.406 -22.505 -20.393 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -20.927 -24.218 -21.500 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -22.009 -24.086 -20.127 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -22.326 -21.682 -20.531 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -21.105 -21.688 -21.787 1.00 0.00 H new ATOM 0 HE ARG A 29 -23.472 -23.446 -22.167 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -21.837 -20.444 -23.118 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -22.831 -20.292 -24.571 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -24.659 -23.158 -24.015 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -24.359 -21.762 -25.056 1.00 0.00 H new ATOM 473 N PRO A 30 -16.857 -23.821 -19.426 1.00 0.00 N ATOM 474 CA PRO A 30 -15.604 -23.201 -18.992 1.00 0.00 C ATOM 475 C PRO A 30 -15.752 -21.665 -18.968 1.00 0.00 C ATOM 476 O PRO A 30 -16.684 -21.105 -19.553 1.00 0.00 O ATOM 477 CB PRO A 30 -14.556 -23.654 -20.016 1.00 0.00 C ATOM 478 CG PRO A 30 -15.374 -23.847 -21.292 1.00 0.00 C ATOM 479 CD PRO A 30 -16.708 -24.373 -20.767 1.00 0.00 C ATOM 0 HA PRO A 30 -15.318 -23.495 -17.982 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.774 -22.907 -20.149 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.066 -24.578 -19.709 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.496 -22.912 -21.839 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.900 -24.555 -21.972 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.531 -24.062 -21.411 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.716 -25.463 -20.744 1.00 0.00 H new ATOM 487 N ASP A 31 -14.810 -20.960 -18.332 1.00 0.00 N ATOM 488 CA ASP A 31 -14.794 -19.485 -18.261 1.00 0.00 C ATOM 489 C ASP A 31 -14.910 -18.793 -19.634 1.00 0.00 C ATOM 490 O ASP A 31 -15.504 -17.722 -19.753 1.00 0.00 O ATOM 491 CB ASP A 31 -13.528 -19.011 -17.531 1.00 0.00 C ATOM 492 CG ASP A 31 -12.231 -19.258 -18.321 1.00 0.00 C ATOM 493 OD1 ASP A 31 -11.769 -20.422 -18.373 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.668 -18.285 -18.877 1.00 0.00 O ATOM 0 H ASP A 31 -14.027 -21.397 -17.845 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.684 -19.194 -17.702 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.618 -17.945 -17.321 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.461 -19.521 -16.570 1.00 0.00 H new ATOM 499 N THR A 32 -14.371 -19.428 -20.674 1.00 0.00 N ATOM 500 CA THR A 32 -14.396 -18.961 -22.069 1.00 0.00 C ATOM 501 C THR A 32 -15.767 -19.055 -22.760 1.00 0.00 C ATOM 502 O THR A 32 -15.951 -18.466 -23.827 1.00 0.00 O ATOM 503 CB THR A 32 -13.378 -19.738 -22.923 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.521 -21.129 -22.719 1.00 0.00 O ATOM 505 CG2 THR A 32 -11.940 -19.361 -22.570 1.00 0.00 C ATOM 0 H THR A 32 -13.884 -20.318 -20.569 1.00 0.00 H new ATOM 0 HA THR A 32 -14.141 -17.903 -22.002 1.00 0.00 H new ATOM 0 HB THR A 32 -13.578 -19.478 -23.963 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.868 -21.609 -23.270 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.251 -19.930 -23.194 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.790 -18.295 -22.743 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.751 -19.588 -21.521 1.00 0.00 H new ATOM 513 N GLU A 33 -16.730 -19.782 -22.183 1.00 0.00 N ATOM 514 CA GLU A 33 -18.055 -20.066 -22.764 1.00 0.00 C ATOM 515 C GLU A 33 -19.254 -19.682 -21.879 1.00 0.00 C ATOM 516 O GLU A 33 -20.363 -19.524 -22.401 1.00 0.00 O ATOM 517 CB GLU A 33 -18.123 -21.584 -23.026 1.00 0.00 C ATOM 518 CG GLU A 33 -17.304 -22.058 -24.238 1.00 0.00 C ATOM 519 CD GLU A 33 -17.834 -21.513 -25.581 1.00 0.00 C ATOM 520 OE1 GLU A 33 -17.022 -21.039 -26.412 1.00 0.00 O ATOM 521 OE2 GLU A 33 -19.061 -21.584 -25.835 1.00 0.00 O ATOM 0 H GLU A 33 -16.607 -20.207 -21.264 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.140 -19.456 -23.663 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.772 -22.109 -22.138 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.165 -21.868 -23.174 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.267 -21.748 -24.111 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.309 -23.148 -24.268 1.00 0.00 H new ATOM 528 N CYS A 34 -19.071 -19.567 -20.561 1.00 0.00 N ATOM 529 CA CYS A 34 -20.137 -19.281 -19.602 1.00 0.00 C ATOM 530 C CYS A 34 -20.883 -17.945 -19.820 1.00 0.00 C ATOM 531 O CYS A 34 -20.417 -17.028 -20.509 1.00 0.00 O ATOM 532 CB CYS A 34 -19.544 -19.416 -18.196 1.00 0.00 C ATOM 533 SG CYS A 34 -20.878 -19.469 -16.968 1.00 0.00 S ATOM 0 H CYS A 34 -18.156 -19.673 -20.123 1.00 0.00 H new ATOM 0 HA CYS A 34 -20.933 -20.010 -19.754 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -18.942 -20.322 -18.131 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -18.880 -18.576 -17.989 1.00 0.00 H new ATOM 0 HG CYS A 34 -20.873 -20.624 -16.371 1.00 0.00 H new ATOM 538 N LYS A 35 -22.064 -17.836 -19.199 1.00 0.00 N ATOM 539 CA LYS A 35 -22.955 -16.666 -19.202 1.00 0.00 C ATOM 540 C LYS A 35 -22.519 -15.581 -18.201 1.00 0.00 C ATOM 541 O LYS A 35 -23.006 -14.452 -18.283 1.00 0.00 O ATOM 542 CB LYS A 35 -24.451 -17.034 -18.997 1.00 0.00 C ATOM 543 CG LYS A 35 -24.810 -18.508 -18.750 1.00 0.00 C ATOM 544 CD LYS A 35 -24.413 -18.987 -17.344 1.00 0.00 C ATOM 545 CE LYS A 35 -23.976 -20.449 -17.423 1.00 0.00 C ATOM 546 NZ LYS A 35 -23.319 -20.881 -16.172 1.00 0.00 N ATOM 0 H LYS A 35 -22.446 -18.605 -18.649 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.861 -16.248 -20.204 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.823 -16.455 -18.152 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -24.999 -16.701 -19.878 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -25.883 -18.644 -18.887 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.312 -19.129 -19.495 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -23.603 -18.372 -16.951 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -25.254 -18.882 -16.659 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -24.843 -21.080 -17.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -23.291 -20.581 -18.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.842 -21.792 -16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.619 -20.168 -15.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.033 -20.988 -15.424 1.00 0.00 H new ATOM 560 N PHE A 36 -21.609 -15.916 -17.285 1.00 0.00 N ATOM 561 CA PHE A 36 -21.073 -15.053 -16.226 1.00 0.00 C ATOM 562 C PHE A 36 -19.561 -15.304 -16.013 1.00 0.00 C ATOM 563 O PHE A 36 -18.969 -16.177 -16.652 1.00 0.00 O ATOM 564 CB PHE A 36 -21.859 -15.335 -14.939 1.00 0.00 C ATOM 565 CG PHE A 36 -23.360 -15.110 -14.999 1.00 0.00 C ATOM 566 CD1 PHE A 36 -23.877 -13.807 -15.114 1.00 0.00 C ATOM 567 CD2 PHE A 36 -24.243 -16.206 -14.917 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.268 -13.599 -15.150 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.633 -15.999 -14.962 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.146 -14.695 -15.076 1.00 0.00 C ATOM 0 H PHE A 36 -21.201 -16.851 -17.259 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.184 -14.007 -16.511 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.680 -16.371 -14.650 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.451 -14.708 -14.146 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -23.205 -12.964 -15.175 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.851 -17.207 -14.819 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -25.662 -12.597 -15.235 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -26.307 -16.842 -14.909 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.214 -14.535 -15.107 1.00 0.00 H new ATOM 580 N ALA A 37 -18.905 -14.534 -15.136 1.00 0.00 N ATOM 581 CA ALA A 37 -17.469 -14.658 -14.882 1.00 0.00 C ATOM 582 C ALA A 37 -17.109 -15.801 -13.897 1.00 0.00 C ATOM 583 O ALA A 37 -17.882 -16.126 -12.990 1.00 0.00 O ATOM 584 CB ALA A 37 -16.991 -13.295 -14.374 1.00 0.00 C ATOM 0 H ALA A 37 -19.358 -13.807 -14.583 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.960 -14.935 -15.805 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.921 -13.338 -14.170 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.186 -12.536 -15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.525 -13.040 -13.459 1.00 0.00 H new ATOM 590 N HIS A 38 -15.904 -16.372 -14.046 1.00 0.00 N ATOM 591 CA HIS A 38 -15.352 -17.462 -13.218 1.00 0.00 C ATOM 592 C HIS A 38 -13.981 -17.065 -12.611 1.00 0.00 C ATOM 593 O HIS A 38 -12.949 -17.269 -13.260 1.00 0.00 O ATOM 594 CB HIS A 38 -15.235 -18.770 -14.039 1.00 0.00 C ATOM 595 CG HIS A 38 -16.531 -19.464 -14.390 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.714 -20.355 -15.429 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.752 -19.299 -13.791 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.022 -20.665 -15.487 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.693 -20.042 -14.510 1.00 0.00 N ATOM 0 H HIS A 38 -15.258 -16.076 -14.778 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.042 -17.639 -12.393 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.707 -18.545 -14.965 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.614 -19.470 -13.480 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -15.985 -20.715 -16.045 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.953 -18.699 -12.916 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.468 -21.323 -16.218 1.00 0.00 H new ATOM 607 N PRO A 39 -13.937 -16.477 -11.394 1.00 0.00 N ATOM 608 CA PRO A 39 -12.692 -16.049 -10.740 1.00 0.00 C ATOM 609 C PRO A 39 -11.752 -17.205 -10.341 1.00 0.00 C ATOM 610 O PRO A 39 -12.145 -18.374 -10.299 1.00 0.00 O ATOM 611 CB PRO A 39 -13.133 -15.257 -9.500 1.00 0.00 C ATOM 612 CG PRO A 39 -14.523 -15.798 -9.183 1.00 0.00 C ATOM 613 CD PRO A 39 -15.086 -16.157 -10.554 1.00 0.00 C ATOM 0 HA PRO A 39 -12.101 -15.458 -11.440 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.447 -15.409 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.159 -14.186 -9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.475 -16.668 -8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.138 -15.053 -8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.767 -17.006 -10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.654 -15.326 -10.972 1.00 0.00 H new ATOM 621 N SER A 40 -10.508 -16.852 -9.995 1.00 0.00 N ATOM 622 CA SER A 40 -9.446 -17.760 -9.526 1.00 0.00 C ATOM 623 C SER A 40 -8.871 -17.320 -8.167 1.00 0.00 C ATOM 624 O SER A 40 -9.360 -16.375 -7.540 1.00 0.00 O ATOM 625 CB SER A 40 -8.329 -17.863 -10.577 1.00 0.00 C ATOM 626 OG SER A 40 -7.581 -16.659 -10.627 1.00 0.00 O ATOM 0 H SER A 40 -10.197 -15.881 -10.035 1.00 0.00 H new ATOM 0 HA SER A 40 -9.893 -18.744 -9.385 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.670 -18.697 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.761 -18.071 -11.556 1.00 0.00 H new ATOM 0 HG SER A 40 -8.193 -15.897 -10.696 1.00 0.00 H new ATOM 632 N LYS A 41 -7.818 -18.012 -7.709 1.00 0.00 N ATOM 633 CA LYS A 41 -7.095 -17.804 -6.441 1.00 0.00 C ATOM 634 C LYS A 41 -6.661 -16.358 -6.131 1.00 0.00 C ATOM 635 O LYS A 41 -6.528 -16.030 -4.950 1.00 0.00 O ATOM 636 CB LYS A 41 -5.868 -18.736 -6.433 1.00 0.00 C ATOM 637 CG LYS A 41 -6.190 -20.242 -6.368 1.00 0.00 C ATOM 638 CD LYS A 41 -6.974 -20.705 -5.127 1.00 0.00 C ATOM 639 CE LYS A 41 -6.246 -20.375 -3.817 1.00 0.00 C ATOM 640 NZ LYS A 41 -6.977 -20.901 -2.635 1.00 0.00 N ATOM 0 H LYS A 41 -7.421 -18.782 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.807 -18.037 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.280 -18.545 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.241 -18.477 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.761 -20.511 -7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.253 -20.797 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.955 -20.231 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.140 -21.781 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.242 -20.798 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.134 -19.295 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.455 -20.659 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.926 -20.478 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.062 -21.935 -2.711 1.00 0.00 H new ATOM 654 N SER A 42 -6.448 -15.505 -7.140 1.00 0.00 N ATOM 655 CA SER A 42 -6.017 -14.101 -6.952 1.00 0.00 C ATOM 656 C SER A 42 -7.096 -13.056 -7.268 1.00 0.00 C ATOM 657 O SER A 42 -6.976 -11.916 -6.818 1.00 0.00 O ATOM 658 CB SER A 42 -4.756 -13.794 -7.778 1.00 0.00 C ATOM 659 OG SER A 42 -3.724 -14.723 -7.471 1.00 0.00 O ATOM 0 H SER A 42 -6.569 -15.764 -8.119 1.00 0.00 H new ATOM 0 HA SER A 42 -5.803 -14.018 -5.886 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.990 -13.839 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.415 -12.780 -7.570 1.00 0.00 H new ATOM 0 HG SER A 42 -2.929 -14.517 -8.005 1.00 0.00 H new ATOM 665 N CYS A 43 -8.146 -13.404 -8.023 1.00 0.00 N ATOM 666 CA CYS A 43 -9.216 -12.477 -8.405 1.00 0.00 C ATOM 667 C CYS A 43 -10.017 -11.945 -7.198 1.00 0.00 C ATOM 668 O CYS A 43 -10.415 -12.700 -6.309 1.00 0.00 O ATOM 669 CB CYS A 43 -10.141 -13.137 -9.435 1.00 0.00 C ATOM 670 SG CYS A 43 -9.193 -13.738 -10.863 1.00 0.00 S ATOM 0 H CYS A 43 -8.277 -14.347 -8.389 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.740 -11.606 -8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.675 -13.967 -8.972 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.892 -12.421 -9.767 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.000 -14.294 -11.717 1.00 0.00 H new ATOM 676 N GLN A 44 -10.277 -10.637 -7.193 1.00 0.00 N ATOM 677 CA GLN A 44 -11.040 -9.926 -6.167 1.00 0.00 C ATOM 678 C GLN A 44 -12.545 -10.010 -6.476 1.00 0.00 C ATOM 679 O GLN A 44 -12.980 -9.680 -7.582 1.00 0.00 O ATOM 680 CB GLN A 44 -10.521 -8.479 -6.122 1.00 0.00 C ATOM 681 CG GLN A 44 -11.025 -7.665 -4.921 1.00 0.00 C ATOM 682 CD GLN A 44 -10.290 -6.327 -4.793 1.00 0.00 C ATOM 683 OE1 GLN A 44 -9.064 -6.255 -4.770 1.00 0.00 O ATOM 684 NE2 GLN A 44 -10.985 -5.214 -4.696 1.00 0.00 N ATOM 0 H GLN A 44 -9.948 -10.019 -7.935 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.906 -10.377 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.431 -8.496 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.816 -7.971 -7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.094 -7.484 -5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.889 -8.243 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.004 -5.246 -4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.504 -4.319 -4.604 1.00 0.00 H new ATOM 693 N VAL A 45 -13.331 -10.448 -5.489 1.00 0.00 N ATOM 694 CA VAL A 45 -14.792 -10.643 -5.578 1.00 0.00 C ATOM 695 C VAL A 45 -15.489 -9.765 -4.537 1.00 0.00 C ATOM 696 O VAL A 45 -15.084 -9.737 -3.372 1.00 0.00 O ATOM 697 CB VAL A 45 -15.182 -12.118 -5.327 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.667 -12.373 -5.630 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.355 -13.146 -6.112 1.00 0.00 C ATOM 0 H VAL A 45 -12.960 -10.687 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.106 -10.367 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.969 -12.262 -4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.902 -13.421 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.283 -11.742 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.871 -12.138 -6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.701 -14.151 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.473 -12.968 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.303 -13.050 -5.842 1.00 0.00 H new ATOM 709 N GLU A 46 -16.543 -9.057 -4.941 1.00 0.00 N ATOM 710 CA GLU A 46 -17.324 -8.148 -4.091 1.00 0.00 C ATOM 711 C GLU A 46 -18.819 -8.212 -4.449 1.00 0.00 C ATOM 712 O GLU A 46 -19.191 -8.103 -5.618 1.00 0.00 O ATOM 713 CB GLU A 46 -16.809 -6.704 -4.260 1.00 0.00 C ATOM 714 CG GLU A 46 -15.401 -6.491 -3.679 1.00 0.00 C ATOM 715 CD GLU A 46 -14.872 -5.066 -3.920 1.00 0.00 C ATOM 716 OE1 GLU A 46 -13.801 -4.926 -4.564 1.00 0.00 O ATOM 717 OE2 GLU A 46 -15.492 -4.085 -3.442 1.00 0.00 O ATOM 0 H GLU A 46 -16.891 -9.099 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.204 -8.459 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.800 -6.450 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.503 -6.018 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.420 -6.692 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.715 -7.210 -4.126 1.00 0.00 H new ATOM 724 N ASN A 47 -19.683 -8.379 -3.439 1.00 0.00 N ATOM 725 CA ASN A 47 -21.153 -8.446 -3.545 1.00 0.00 C ATOM 726 C ASN A 47 -21.698 -9.352 -4.685 1.00 0.00 C ATOM 727 O ASN A 47 -22.700 -9.030 -5.330 1.00 0.00 O ATOM 728 CB ASN A 47 -21.697 -7.000 -3.573 1.00 0.00 C ATOM 729 CG ASN A 47 -23.080 -6.854 -2.947 1.00 0.00 C ATOM 730 OD1 ASN A 47 -23.245 -6.290 -1.873 1.00 0.00 O ATOM 731 ND2 ASN A 47 -24.114 -7.361 -3.576 1.00 0.00 N ATOM 0 H ASN A 47 -19.363 -8.476 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.534 -8.963 -2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -20.999 -6.348 -3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.737 -6.656 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -25.046 -7.284 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.985 -7.833 -4.471 1.00 0.00 H new ATOM 738 N GLY A 48 -21.037 -10.483 -4.959 1.00 0.00 N ATOM 739 CA GLY A 48 -21.449 -11.423 -6.015 1.00 0.00 C ATOM 740 C GLY A 48 -21.009 -11.025 -7.432 1.00 0.00 C ATOM 741 O GLY A 48 -21.585 -11.484 -8.423 1.00 0.00 O ATOM 0 H GLY A 48 -20.200 -10.775 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.042 -12.408 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.535 -11.515 -5.998 1.00 0.00 H new ATOM 745 N ARG A 49 -19.998 -10.156 -7.544 1.00 0.00 N ATOM 746 CA ARG A 49 -19.441 -9.637 -8.800 1.00 0.00 C ATOM 747 C ARG A 49 -17.914 -9.574 -8.736 1.00 0.00 C ATOM 748 O ARG A 49 -17.317 -9.640 -7.662 1.00 0.00 O ATOM 749 CB ARG A 49 -20.051 -8.259 -9.133 1.00 0.00 C ATOM 750 CG ARG A 49 -21.589 -8.245 -9.093 1.00 0.00 C ATOM 751 CD ARG A 49 -22.183 -6.965 -9.683 1.00 0.00 C ATOM 752 NE ARG A 49 -23.644 -7.104 -9.838 1.00 0.00 N ATOM 753 CZ ARG A 49 -24.559 -6.160 -9.902 1.00 0.00 C ATOM 754 NH1 ARG A 49 -24.285 -4.891 -9.781 1.00 0.00 N ATOM 755 NH2 ARG A 49 -25.791 -6.518 -10.102 1.00 0.00 N ATOM 0 H ARG A 49 -19.524 -9.778 -6.724 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.705 -10.323 -9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.670 -7.521 -8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.718 -7.953 -10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.971 -9.105 -9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.923 -8.353 -8.061 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.958 -6.119 -9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.726 -6.756 -10.650 1.00 0.00 H new ATOM 0 HE ARG A 49 -23.992 -8.061 -9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -23.323 -4.589 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -25.033 -4.200 -9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -26.025 -7.506 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -26.525 -5.812 -10.157 1.00 0.00 H new ATOM 769 N VAL A 50 -17.288 -9.456 -9.899 1.00 0.00 N ATOM 770 CA VAL A 50 -15.835 -9.418 -10.112 1.00 0.00 C ATOM 771 C VAL A 50 -15.503 -8.350 -11.152 1.00 0.00 C ATOM 772 O VAL A 50 -16.214 -8.197 -12.143 1.00 0.00 O ATOM 773 CB VAL A 50 -15.307 -10.781 -10.600 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.204 -11.765 -9.440 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.131 -11.448 -11.710 1.00 0.00 C ATOM 0 H VAL A 50 -17.805 -9.379 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.357 -9.183 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.331 -10.546 -11.026 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.829 -12.721 -9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.520 -11.371 -8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.189 -11.908 -8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.674 -12.400 -11.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.147 -11.621 -11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.158 -10.797 -12.584 1.00 0.00 H new ATOM 785 N ILE A 51 -14.423 -7.599 -10.947 1.00 0.00 N ATOM 786 CA ILE A 51 -14.014 -6.524 -11.866 1.00 0.00 C ATOM 787 C ILE A 51 -13.065 -7.093 -12.932 1.00 0.00 C ATOM 788 O ILE A 51 -12.112 -7.802 -12.604 1.00 0.00 O ATOM 789 CB ILE A 51 -13.404 -5.353 -11.061 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.471 -4.808 -10.084 1.00 0.00 C ATOM 791 CG2 ILE A 51 -12.898 -4.248 -12.006 1.00 0.00 C ATOM 792 CD1 ILE A 51 -14.059 -3.605 -9.233 1.00 0.00 C ATOM 0 H ILE A 51 -13.805 -7.713 -10.144 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.877 -6.121 -12.396 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.546 -5.708 -10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.354 -4.533 -10.661 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.766 -5.616 -9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.473 -3.434 -11.419 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.134 -4.656 -12.667 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.729 -3.870 -12.602 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.889 -3.314 -8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.199 -3.871 -8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.796 -2.772 -9.884 1.00 0.00 H new ATOM 804 N ALA A 52 -13.321 -6.812 -14.211 1.00 0.00 N ATOM 805 CA ALA A 52 -12.486 -7.263 -15.327 1.00 0.00 C ATOM 806 C ALA A 52 -11.162 -6.464 -15.440 1.00 0.00 C ATOM 807 O ALA A 52 -11.104 -5.292 -15.056 1.00 0.00 O ATOM 808 CB ALA A 52 -13.321 -7.205 -16.612 1.00 0.00 C ATOM 0 H ALA A 52 -14.125 -6.257 -14.505 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.175 -8.292 -15.149 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.715 -7.538 -17.455 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.190 -7.855 -16.511 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.652 -6.181 -16.785 1.00 0.00 H new ATOM 814 N CYS A 53 -10.098 -7.097 -15.956 1.00 0.00 N ATOM 815 CA CYS A 53 -8.753 -6.523 -16.113 1.00 0.00 C ATOM 816 C CYS A 53 -8.752 -5.409 -17.184 1.00 0.00 C ATOM 817 O CYS A 53 -8.588 -5.656 -18.384 1.00 0.00 O ATOM 818 CB CYS A 53 -7.728 -7.659 -16.377 1.00 0.00 C ATOM 819 SG CYS A 53 -6.022 -7.269 -15.816 1.00 0.00 S ATOM 0 H CYS A 53 -10.153 -8.060 -16.288 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.443 -6.033 -15.190 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.067 -8.565 -15.874 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.708 -7.876 -17.445 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.429 -8.362 -15.438 1.00 0.00 H new ATOM 824 N PHE A 54 -8.969 -4.162 -16.747 1.00 0.00 N ATOM 825 CA PHE A 54 -8.983 -2.976 -17.612 1.00 0.00 C ATOM 826 C PHE A 54 -7.672 -2.835 -18.393 1.00 0.00 C ATOM 827 O PHE A 54 -7.689 -2.465 -19.565 1.00 0.00 O ATOM 828 CB PHE A 54 -9.252 -1.704 -16.790 1.00 0.00 C ATOM 829 CG PHE A 54 -8.407 -1.546 -15.542 1.00 0.00 C ATOM 830 CD1 PHE A 54 -7.136 -0.949 -15.616 1.00 0.00 C ATOM 831 CD2 PHE A 54 -8.883 -2.030 -14.309 1.00 0.00 C ATOM 832 CE1 PHE A 54 -6.327 -0.867 -14.471 1.00 0.00 C ATOM 833 CE2 PHE A 54 -8.083 -1.933 -13.159 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.800 -1.358 -13.240 1.00 0.00 C ATOM 0 H PHE A 54 -9.143 -3.946 -15.765 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.792 -3.106 -18.331 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.090 -0.837 -17.430 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.303 -1.694 -16.500 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.781 -0.553 -16.556 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.864 -2.476 -14.247 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.343 -0.427 -14.535 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.452 -2.299 -12.212 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.180 -1.294 -12.358 1.00 0.00 H new ATOM 844 N ASP A 55 -6.537 -3.174 -17.777 1.00 0.00 N ATOM 845 CA ASP A 55 -5.234 -3.135 -18.434 1.00 0.00 C ATOM 846 C ASP A 55 -5.175 -4.099 -19.634 1.00 0.00 C ATOM 847 O ASP A 55 -4.539 -3.776 -20.636 1.00 0.00 O ATOM 848 CB ASP A 55 -4.119 -3.453 -17.429 1.00 0.00 C ATOM 849 CG ASP A 55 -3.869 -2.363 -16.381 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.933 -1.162 -16.734 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.535 -2.714 -15.224 1.00 0.00 O ATOM 0 H ASP A 55 -6.499 -3.484 -16.806 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.084 -2.125 -18.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.366 -4.382 -16.915 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.194 -3.629 -17.978 1.00 0.00 H new ATOM 856 N SER A 56 -5.854 -5.252 -19.592 1.00 0.00 N ATOM 857 CA SER A 56 -5.891 -6.192 -20.723 1.00 0.00 C ATOM 858 C SER A 56 -6.719 -5.616 -21.884 1.00 0.00 C ATOM 859 O SER A 56 -6.297 -5.683 -23.042 1.00 0.00 O ATOM 860 CB SER A 56 -6.396 -7.567 -20.261 1.00 0.00 C ATOM 861 OG SER A 56 -6.554 -8.459 -21.356 1.00 0.00 O ATOM 0 H SER A 56 -6.390 -5.560 -18.780 1.00 0.00 H new ATOM 0 HA SER A 56 -4.879 -6.334 -21.101 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.694 -7.991 -19.543 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.349 -7.451 -19.744 1.00 0.00 H new ATOM 0 HG SER A 56 -6.875 -9.325 -21.029 1.00 0.00 H new ATOM 867 N LEU A 57 -7.858 -4.975 -21.585 1.00 0.00 N ATOM 868 CA LEU A 57 -8.709 -4.302 -22.579 1.00 0.00 C ATOM 869 C LEU A 57 -8.031 -3.071 -23.215 1.00 0.00 C ATOM 870 O LEU A 57 -8.149 -2.859 -24.424 1.00 0.00 O ATOM 871 CB LEU A 57 -10.032 -3.886 -21.908 1.00 0.00 C ATOM 872 CG LEU A 57 -11.014 -5.052 -21.711 1.00 0.00 C ATOM 873 CD1 LEU A 57 -12.133 -4.633 -20.760 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.654 -5.492 -23.032 1.00 0.00 C ATOM 0 H LEU A 57 -8.220 -4.908 -20.634 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.893 -5.009 -23.388 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.813 -3.438 -20.939 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.511 -3.117 -22.514 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.443 -5.885 -21.301 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.826 -5.464 -20.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.706 -4.355 -19.796 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.667 -3.780 -21.180 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.341 -6.318 -22.846 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.201 -4.656 -23.467 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.876 -5.816 -23.723 1.00 0.00 H new ATOM 886 N LYS A 58 -7.325 -2.259 -22.415 1.00 0.00 N ATOM 887 CA LYS A 58 -6.626 -1.033 -22.852 1.00 0.00 C ATOM 888 C LYS A 58 -5.248 -1.286 -23.493 1.00 0.00 C ATOM 889 O LYS A 58 -4.649 -0.352 -24.027 1.00 0.00 O ATOM 890 CB LYS A 58 -6.513 -0.060 -21.659 1.00 0.00 C ATOM 891 CG LYS A 58 -7.869 0.429 -21.103 1.00 0.00 C ATOM 892 CD LYS A 58 -8.685 1.348 -22.028 1.00 0.00 C ATOM 893 CE LYS A 58 -8.024 2.722 -22.197 1.00 0.00 C ATOM 894 NZ LYS A 58 -8.863 3.644 -23.008 1.00 0.00 N ATOM 0 H LYS A 58 -7.219 -2.439 -21.417 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.228 -0.590 -23.646 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.961 -0.550 -20.857 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.927 0.806 -21.966 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.477 -0.443 -20.863 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.686 0.958 -20.168 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.795 0.876 -23.004 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.688 1.475 -21.621 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.845 3.162 -21.216 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.052 2.601 -22.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.382 4.561 -23.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.013 3.236 -23.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.782 3.780 -22.540 1.00 0.00 H new ATOM 908 N GLY A 59 -4.744 -2.523 -23.462 1.00 0.00 N ATOM 909 CA GLY A 59 -3.453 -2.913 -24.054 1.00 0.00 C ATOM 910 C GLY A 59 -2.230 -2.510 -23.215 1.00 0.00 C ATOM 911 O GLY A 59 -1.223 -2.052 -23.762 1.00 0.00 O ATOM 0 H GLY A 59 -5.230 -3.301 -23.016 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.442 -3.994 -24.196 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.367 -2.461 -25.042 1.00 0.00 H new ATOM 915 N ARG A 60 -2.334 -2.649 -21.887 1.00 0.00 N ATOM 916 CA ARG A 60 -1.328 -2.265 -20.877 1.00 0.00 C ATOM 917 C ARG A 60 -0.921 -3.393 -19.909 1.00 0.00 C ATOM 918 O ARG A 60 0.105 -3.256 -19.241 1.00 0.00 O ATOM 919 CB ARG A 60 -1.896 -1.040 -20.121 1.00 0.00 C ATOM 920 CG ARG A 60 -0.870 -0.310 -19.237 1.00 0.00 C ATOM 921 CD ARG A 60 -1.372 1.069 -18.788 1.00 0.00 C ATOM 922 NE ARG A 60 -2.556 0.956 -17.918 1.00 0.00 N ATOM 923 CZ ARG A 60 -3.326 1.917 -17.455 1.00 0.00 C ATOM 924 NH1 ARG A 60 -4.327 1.582 -16.703 1.00 0.00 N ATOM 925 NH2 ARG A 60 -3.126 3.178 -17.718 1.00 0.00 N ATOM 0 H ARG A 60 -3.167 -3.055 -21.460 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.397 -2.027 -21.391 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.299 -0.335 -20.847 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.728 -1.366 -19.497 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.650 -0.918 -18.360 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.064 -0.194 -19.787 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.577 1.591 -18.256 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.618 1.670 -19.663 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.812 0.009 -17.638 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.497 0.600 -16.488 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.945 2.301 -16.326 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.342 3.458 -18.308 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.753 3.885 -17.334 1.00 0.00 H new ATOM 939 N CYS A 61 -1.693 -4.483 -19.806 1.00 0.00 N ATOM 940 CA CYS A 61 -1.424 -5.569 -18.851 1.00 0.00 C ATOM 941 C CYS A 61 -0.075 -6.278 -19.096 1.00 0.00 C ATOM 942 O CYS A 61 0.281 -6.636 -20.226 1.00 0.00 O ATOM 943 CB CYS A 61 -2.611 -6.554 -18.810 1.00 0.00 C ATOM 944 SG CYS A 61 -2.642 -7.483 -17.237 1.00 0.00 S ATOM 0 H CYS A 61 -2.521 -4.638 -20.381 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.325 -5.115 -17.865 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.546 -6.007 -18.931 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.539 -7.250 -19.646 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.826 -7.399 -16.707 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.951 -10.957 -11.638 1.00 0.00 N ATOM 1014 CA CYS A 66 -4.172 -10.189 -11.880 1.00 0.00 C ATOM 1015 C CYS A 66 -5.321 -10.494 -10.905 1.00 0.00 C ATOM 1016 O CYS A 66 -5.905 -11.584 -10.893 1.00 0.00 O ATOM 1017 CB CYS A 66 -4.651 -10.379 -13.336 1.00 0.00 C ATOM 1018 SG CYS A 66 -3.427 -9.930 -14.604 1.00 0.00 S ATOM 0 HA CYS A 66 -3.898 -9.149 -11.704 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.935 -11.422 -13.478 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.549 -9.781 -13.490 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.983 -9.973 -15.778 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.683 -9.471 -10.123 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.836 -9.500 -9.212 1.00 0.00 C ATOM 1025 C LYS A 67 -8.146 -9.234 -9.958 1.00 0.00 C ATOM 1026 O LYS A 67 -9.206 -9.120 -9.343 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.685 -8.466 -8.091 1.00 0.00 C ATOM 1028 CG LYS A 67 -5.274 -8.396 -7.494 1.00 0.00 C ATOM 1029 CD LYS A 67 -5.283 -7.647 -6.161 1.00 0.00 C ATOM 1030 CE LYS A 67 -5.728 -6.180 -6.299 1.00 0.00 C ATOM 1031 NZ LYS A 67 -6.245 -5.631 -5.018 1.00 0.00 N ATOM 0 H LYS A 67 -5.177 -8.586 -10.104 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.867 -10.500 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.954 -7.483 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.394 -8.700 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.886 -9.404 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.603 -7.896 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.949 -8.159 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.284 -7.679 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.886 -5.576 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.502 -6.106 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.120 -4.599 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.256 -5.859 -4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.721 -6.051 -4.224 1.00 0.00 H new ATOM 1045 N TYR A 68 -8.058 -9.107 -11.275 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.129 -8.740 -12.176 1.00 0.00 C ATOM 1047 C TYR A 68 -9.274 -9.791 -13.282 1.00 0.00 C ATOM 1048 O TYR A 68 -8.299 -10.409 -13.717 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.789 -7.346 -12.714 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.515 -6.310 -11.637 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -7.194 -5.980 -11.271 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.597 -5.717 -10.965 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -6.963 -5.061 -10.228 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -9.374 -4.798 -9.923 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.052 -4.471 -9.547 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.816 -3.603 -8.527 1.00 0.00 O ATOM 0 H TYR A 68 -7.180 -9.269 -11.768 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.096 -8.707 -11.674 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.914 -7.422 -13.360 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.614 -6.998 -13.335 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.361 -6.431 -11.789 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.608 -5.968 -11.250 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.951 -4.807 -9.948 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.211 -4.344 -9.412 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.669 -3.285 -8.164 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.512 -10.030 -13.706 1.00 0.00 N ATOM 1067 CA LEU A 69 -10.851 -11.056 -14.692 1.00 0.00 C ATOM 1068 C LEU A 69 -10.413 -10.666 -16.111 1.00 0.00 C ATOM 1069 O LEU A 69 -10.950 -9.713 -16.674 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.378 -11.294 -14.663 1.00 0.00 C ATOM 1071 CG LEU A 69 -12.871 -12.375 -13.689 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.542 -13.777 -14.199 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.298 -12.225 -12.282 1.00 0.00 C ATOM 0 H LEU A 69 -11.322 -9.509 -13.370 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.315 -11.968 -14.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.868 -10.354 -14.410 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.703 -11.562 -15.668 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.951 -12.238 -13.634 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.905 -14.518 -13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.024 -13.936 -15.164 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.463 -13.879 -14.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.686 -13.019 -11.645 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.211 -12.291 -12.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.588 -11.257 -11.872 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.509 -11.427 -16.735 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.214 -11.223 -18.163 1.00 0.00 C ATOM 1087 C HIS A 70 -10.512 -11.588 -18.919 1.00 0.00 C ATOM 1088 O HIS A 70 -11.047 -12.681 -18.700 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.013 -12.060 -18.621 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.689 -11.355 -18.456 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.685 -11.294 -19.399 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.290 -10.580 -17.397 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.721 -10.484 -18.928 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.047 -10.019 -17.712 1.00 0.00 N ATOM 0 H HIS A 70 -8.977 -12.175 -16.289 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.926 -10.192 -18.367 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.993 -12.991 -18.055 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.145 -12.327 -19.670 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.675 -11.778 -20.297 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.839 -10.429 -16.480 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.810 -10.241 -19.455 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.078 -10.687 -19.743 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.399 -10.899 -20.330 1.00 0.00 C ATOM 1104 C PRO A 71 -12.439 -12.015 -21.396 1.00 0.00 C ATOM 1105 O PRO A 71 -11.706 -11.938 -22.387 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.798 -9.532 -20.873 1.00 0.00 C ATOM 1107 CG PRO A 71 -11.471 -8.869 -21.216 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.564 -9.367 -20.095 1.00 0.00 C ATOM 0 HA PRO A 71 -13.108 -11.266 -19.588 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.437 -9.623 -21.751 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.353 -8.955 -20.133 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.107 -9.170 -22.198 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.549 -7.782 -21.224 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.526 -9.424 -20.424 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.590 -8.693 -19.239 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.288 -13.051 -21.230 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.412 -14.148 -22.189 1.00 0.00 C ATOM 1118 C PRO A 72 -14.247 -13.746 -23.423 1.00 0.00 C ATOM 1119 O PRO A 72 -15.130 -12.891 -23.307 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.104 -15.269 -21.413 1.00 0.00 C ATOM 1121 CG PRO A 72 -14.983 -14.527 -20.414 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.186 -13.263 -20.100 1.00 0.00 C ATOM 0 HA PRO A 72 -12.438 -14.445 -22.579 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.695 -15.906 -22.071 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.382 -15.913 -20.910 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.959 -14.290 -20.838 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.160 -15.122 -19.518 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.850 -12.409 -19.966 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.624 -13.379 -19.173 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.033 -14.370 -24.601 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.766 -14.075 -25.840 1.00 0.00 C ATOM 1132 C PRO A 73 -16.293 -13.949 -25.702 1.00 0.00 C ATOM 1133 O PRO A 73 -16.886 -13.027 -26.263 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.383 -15.197 -26.813 1.00 0.00 C ATOM 1135 CG PRO A 73 -12.975 -15.578 -26.367 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.035 -15.406 -24.850 1.00 0.00 C ATOM 0 HA PRO A 73 -14.481 -13.082 -26.188 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.069 -16.041 -26.745 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.399 -14.856 -27.848 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.726 -16.602 -26.647 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.221 -14.932 -26.817 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.313 -16.340 -24.362 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.063 -15.115 -24.452 1.00 0.00 H new ATOM 1144 N HIS A 74 -16.937 -14.844 -24.938 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.396 -14.839 -24.726 1.00 0.00 C ATOM 1146 C HIS A 74 -18.923 -13.680 -23.852 1.00 0.00 C ATOM 1147 O HIS A 74 -20.123 -13.403 -23.870 1.00 0.00 O ATOM 1148 CB HIS A 74 -18.826 -16.218 -24.191 1.00 0.00 C ATOM 1149 CG HIS A 74 -20.317 -16.449 -24.256 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -21.158 -16.657 -23.181 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -21.080 -16.481 -25.392 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -22.413 -16.812 -23.648 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -22.389 -16.703 -24.993 1.00 0.00 N ATOM 0 H HIS A 74 -16.458 -15.598 -24.445 1.00 0.00 H new ATOM 0 HA HIS A 74 -18.861 -14.653 -25.694 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.320 -16.995 -24.764 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -18.495 -16.318 -23.157 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -20.878 -16.688 -22.201 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -20.729 -16.357 -26.406 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -23.291 -16.993 -23.046 1.00 0.00 H new ATOM 1162 N LEU A 75 -18.051 -12.978 -23.116 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.410 -11.832 -22.262 1.00 0.00 C ATOM 1164 C LEU A 75 -17.841 -10.502 -22.774 1.00 0.00 C ATOM 1165 O LEU A 75 -18.373 -9.454 -22.411 1.00 0.00 O ATOM 1166 CB LEU A 75 -17.989 -12.092 -20.806 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.666 -13.315 -20.153 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.058 -13.656 -18.790 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -20.166 -13.092 -19.969 1.00 0.00 C ATOM 0 H LEU A 75 -17.054 -13.194 -23.096 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.495 -11.734 -22.303 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.908 -12.230 -20.773 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.216 -11.207 -20.212 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.496 -14.147 -20.836 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.568 -14.523 -18.371 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.998 -13.881 -18.910 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.174 -12.807 -18.117 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.611 -13.973 -19.507 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.329 -12.225 -19.329 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.630 -12.919 -20.940 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.827 -10.504 -23.652 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.294 -9.276 -24.278 1.00 0.00 C ATOM 1183 C LYS A 76 -17.402 -8.465 -24.964 1.00 0.00 C ATOM 1184 O LYS A 76 -17.386 -7.239 -24.888 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.153 -9.611 -25.252 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.844 -9.860 -24.486 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.692 -10.345 -25.376 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.281 -9.299 -26.421 1.00 0.00 C ATOM 1189 NZ LYS A 76 -11.119 -9.758 -27.228 1.00 0.00 N ATOM 0 H LYS A 76 -16.351 -11.355 -23.951 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.884 -8.649 -23.486 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.413 -10.494 -25.835 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.018 -8.791 -25.958 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.544 -8.938 -23.988 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.025 -10.599 -23.706 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.832 -10.589 -24.752 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.989 -11.263 -25.882 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.124 -9.092 -27.081 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.031 -8.363 -25.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.869 -9.027 -27.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.308 -9.931 -26.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.367 -10.638 -27.725 1.00 0.00 H new ATOM 1203 N THR A 77 -18.391 -9.136 -25.564 1.00 0.00 N ATOM 1204 CA THR A 77 -19.566 -8.497 -26.182 1.00 0.00 C ATOM 1205 C THR A 77 -20.403 -7.741 -25.142 1.00 0.00 C ATOM 1206 O THR A 77 -20.769 -6.587 -25.358 1.00 0.00 O ATOM 1207 CB THR A 77 -20.449 -9.546 -26.881 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.658 -10.353 -27.729 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.535 -8.904 -27.742 1.00 0.00 C ATOM 0 H THR A 77 -18.401 -10.153 -25.637 1.00 0.00 H new ATOM 0 HA THR A 77 -19.197 -7.784 -26.919 1.00 0.00 H new ATOM 0 HB THR A 77 -20.918 -10.135 -26.093 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.226 -11.019 -28.169 1.00 0.00 H new ATOM 0 HG21 THR A 77 -22.132 -9.683 -28.215 1.00 0.00 H new ATOM 0 HG22 THR A 77 -22.177 -8.284 -27.116 1.00 0.00 H new ATOM 0 HG23 THR A 77 -21.072 -8.285 -28.511 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.668 -8.357 -23.982 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.410 -7.731 -22.879 1.00 0.00 C ATOM 1219 C GLN A 78 -20.636 -6.528 -22.317 1.00 0.00 C ATOM 1220 O GLN A 78 -21.193 -5.443 -22.137 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.670 -8.757 -21.759 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.582 -9.923 -22.182 1.00 0.00 C ATOM 1223 CD GLN A 78 -22.951 -10.847 -21.015 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -22.977 -10.470 -19.851 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -23.260 -12.099 -21.277 1.00 0.00 N ATOM 0 H GLN A 78 -20.371 -9.312 -23.781 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.366 -7.379 -23.268 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.716 -9.160 -21.419 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.121 -8.246 -20.909 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.494 -9.522 -22.624 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.083 -10.506 -22.956 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -23.246 -12.437 -22.239 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -23.514 -12.731 -20.518 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.335 -6.715 -22.071 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.439 -5.681 -21.551 1.00 0.00 C ATOM 1236 C LEU A 79 -18.324 -4.476 -22.491 1.00 0.00 C ATOM 1237 O LEU A 79 -18.432 -3.347 -22.018 1.00 0.00 O ATOM 1238 CB LEU A 79 -17.062 -6.297 -21.260 1.00 0.00 C ATOM 1239 CG LEU A 79 -17.081 -7.295 -20.089 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.748 -8.025 -20.025 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.305 -6.599 -18.745 1.00 0.00 C ATOM 0 H LEU A 79 -18.868 -7.607 -22.231 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.866 -5.299 -20.624 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.701 -6.804 -22.155 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.354 -5.499 -21.038 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.904 -7.987 -20.266 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.760 -8.732 -19.196 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.583 -8.563 -20.958 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.945 -7.304 -19.875 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.311 -7.342 -17.947 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.503 -5.883 -18.568 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.261 -6.076 -18.761 1.00 0.00 H new ATOM 1253 N GLU A 80 -18.143 -4.668 -23.803 1.00 0.00 N ATOM 1254 CA GLU A 80 -18.075 -3.524 -24.725 1.00 0.00 C ATOM 1255 C GLU A 80 -19.414 -2.773 -24.810 1.00 0.00 C ATOM 1256 O GLU A 80 -19.411 -1.545 -24.857 1.00 0.00 O ATOM 1257 CB GLU A 80 -17.514 -3.884 -26.112 1.00 0.00 C ATOM 1258 CG GLU A 80 -18.457 -4.638 -27.060 1.00 0.00 C ATOM 1259 CD GLU A 80 -17.887 -4.650 -28.487 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -18.021 -3.614 -29.185 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -17.313 -5.679 -28.921 1.00 0.00 O ATOM 0 H GLU A 80 -18.043 -5.582 -24.244 1.00 0.00 H new ATOM 0 HA GLU A 80 -17.349 -2.836 -24.292 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -17.203 -2.962 -26.603 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -16.618 -4.488 -25.971 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -18.595 -5.660 -26.708 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -19.439 -4.165 -27.058 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.558 -3.469 -24.767 1.00 0.00 N ATOM 1269 CA ILE A 81 -21.889 -2.833 -24.762 1.00 0.00 C ATOM 1270 C ILE A 81 -22.047 -1.946 -23.516 1.00 0.00 C ATOM 1271 O ILE A 81 -22.544 -0.822 -23.618 1.00 0.00 O ATOM 1272 CB ILE A 81 -22.997 -3.906 -24.906 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -22.996 -4.415 -26.366 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.391 -3.365 -24.531 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.867 -5.655 -26.602 1.00 0.00 C ATOM 0 H ILE A 81 -20.590 -4.488 -24.735 1.00 0.00 H new ATOM 0 HA ILE A 81 -21.991 -2.173 -25.624 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.782 -4.720 -24.213 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -23.342 -3.613 -27.018 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -21.971 -4.644 -26.658 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -25.132 -4.156 -24.649 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.383 -3.026 -23.495 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.645 -2.530 -25.184 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -23.810 -5.946 -27.651 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.510 -6.475 -25.978 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.901 -5.427 -26.345 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.570 -2.406 -22.353 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.576 -1.612 -21.121 1.00 0.00 C ATOM 1289 C ASN A 82 -20.605 -0.414 -21.235 1.00 0.00 C ATOM 1290 O ASN A 82 -20.967 0.719 -20.914 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.201 -2.501 -19.918 1.00 0.00 C ATOM 1292 CG ASN A 82 -22.151 -3.647 -19.613 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -23.291 -3.709 -20.055 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -21.710 -4.575 -18.793 1.00 0.00 N ATOM 0 H ASN A 82 -21.170 -3.338 -22.241 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.580 -1.218 -20.967 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.208 -2.916 -20.094 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -21.130 -1.869 -19.033 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -22.318 -5.349 -18.524 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -20.760 -4.522 -18.426 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.376 -0.654 -21.712 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.321 0.355 -21.875 1.00 0.00 C ATOM 1303 C GLY A 83 -18.691 1.477 -22.846 1.00 0.00 C ATOM 1304 O GLY A 83 -18.446 2.646 -22.552 1.00 0.00 O ATOM 0 H GLY A 83 -19.080 -1.585 -22.004 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.092 0.789 -20.902 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.413 -0.134 -22.228 1.00 0.00 H new