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 127:sc= 0.795 USER MOD Set 1.2: A 61 CYS SG : rot -162:sc= 0.963 USER MOD Set 1.3: A 66 CYS SG : rot 126:sc= 1.13 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.419 K(o=3.3,f=1.7) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.864 K(o=1.9,f=-2.7) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 172:sc= 1 (180deg=0) USER MOD Set 3.1: A 40 SER OG : rot -70:sc= 1.29 USER MOD Set 3.2: A 43 CYS SG : rot 170:sc= 0.534 USER MOD Set 4.1: A 19 CYS SG : rot 139:sc= 1.15 USER MOD Set 4.2: A 27 CYS SG : rot 119:sc= 1.29 USER MOD Set 4.3: A 34 CYS SG : rot 136:sc= 1.33 USER MOD Set 4.4: A 38 HIS : no HE2:sc= -0.957 K(o=2.8,f=0.65) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00911 X(o=-0.0091,f=-0.0091) USER MOD Single : A 26 THR OG1 : rot -41:sc= 0.309 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.322 K(o=0.32,f=-5.4!) 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 HD1:sc= -0.292 X(o=-0.29,f=-0.31) 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= 0.502 K(o=0.5,f=-0.55) USER MOD Single : A 82 ASN : amide:sc= 0.419 K(o=0.42,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.726 -0.349 -15.381 1.00 0.00 N ATOM 191 CA TRP A 13 -18.970 -1.090 -16.633 1.00 0.00 C ATOM 192 C TRP A 13 -18.273 -2.463 -16.663 1.00 0.00 C ATOM 193 O TRP A 13 -18.797 -3.421 -17.239 1.00 0.00 O ATOM 194 CB TRP A 13 -18.591 -0.205 -17.843 1.00 0.00 C ATOM 195 CG TRP A 13 -17.434 -0.602 -18.720 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.401 -1.689 -19.526 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.171 0.098 -18.972 1.00 0.00 C ATOM 198 NE1 TRP A 13 -16.237 -1.705 -20.262 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.435 -0.629 -19.959 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.568 1.274 -18.475 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -14.178 -0.219 -20.426 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.299 1.690 -18.927 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.604 0.948 -19.899 1.00 0.00 C ATOM 0 HA TRP A 13 -20.035 -1.316 -16.691 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.472 -0.129 -18.480 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.384 0.796 -17.463 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -18.177 -2.438 -19.584 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.999 -2.424 -20.946 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.088 1.865 -17.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.659 -0.793 -21.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.856 2.588 -18.523 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.632 1.275 -20.238 1.00 0.00 H new ATOM 214 N LEU A 14 -17.105 -2.545 -16.022 1.00 0.00 N ATOM 215 CA LEU A 14 -16.238 -3.721 -15.925 1.00 0.00 C ATOM 216 C LEU A 14 -16.612 -4.682 -14.784 1.00 0.00 C ATOM 217 O LEU A 14 -16.106 -5.802 -14.750 1.00 0.00 O ATOM 218 CB LEU A 14 -14.794 -3.226 -15.710 1.00 0.00 C ATOM 219 CG LEU A 14 -14.224 -2.391 -16.872 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.900 -1.765 -16.444 1.00 0.00 C ATOM 221 CD2 LEU A 14 -13.957 -3.229 -18.123 1.00 0.00 C ATOM 0 H LEU A 14 -16.716 -1.743 -15.527 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.353 -4.287 -16.849 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.760 -2.628 -14.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.148 -4.089 -15.549 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.971 -1.635 -17.113 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.495 -1.174 -17.265 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.064 -1.121 -15.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.194 -2.552 -16.181 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.556 -2.590 -18.910 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.236 -4.012 -17.889 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.888 -3.683 -18.463 1.00 0.00 H new ATOM 233 N THR A 15 -17.458 -4.261 -13.839 1.00 0.00 N ATOM 234 CA THR A 15 -17.877 -5.065 -12.675 1.00 0.00 C ATOM 235 C THR A 15 -18.941 -6.095 -13.090 1.00 0.00 C ATOM 236 O THR A 15 -20.145 -5.911 -12.908 1.00 0.00 O ATOM 237 CB THR A 15 -18.325 -4.182 -11.500 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.406 -3.138 -11.252 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.409 -4.952 -10.183 1.00 0.00 C ATOM 0 H THR A 15 -17.882 -3.334 -13.857 1.00 0.00 H new ATOM 0 HA THR A 15 -17.013 -5.621 -12.312 1.00 0.00 H new ATOM 0 HB THR A 15 -19.303 -3.807 -11.801 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.723 -2.595 -10.500 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.730 -4.279 -9.388 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.128 -5.765 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.429 -5.362 -9.938 1.00 0.00 H new ATOM 247 N LEU A 16 -18.464 -7.182 -13.691 1.00 0.00 N ATOM 248 CA LEU A 16 -19.206 -8.317 -14.246 1.00 0.00 C ATOM 249 C LEU A 16 -19.723 -9.244 -13.136 1.00 0.00 C ATOM 250 O LEU A 16 -19.017 -9.499 -12.164 1.00 0.00 O ATOM 251 CB LEU A 16 -18.202 -9.086 -15.139 1.00 0.00 C ATOM 252 CG LEU A 16 -18.695 -9.366 -16.562 1.00 0.00 C ATOM 253 CD1 LEU A 16 -17.520 -9.885 -17.387 1.00 0.00 C ATOM 254 CD2 LEU A 16 -19.826 -10.393 -16.597 1.00 0.00 C ATOM 0 H LEU A 16 -17.459 -7.304 -13.814 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.076 -7.971 -14.804 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.276 -8.514 -15.196 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.962 -10.035 -14.659 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.089 -8.436 -16.972 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.852 -10.090 -18.405 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.730 -9.134 -17.408 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.137 -10.802 -16.939 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.139 -10.555 -17.629 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.476 -11.334 -16.172 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.671 -10.024 -16.016 1.00 0.00 H new ATOM 266 N GLU A 17 -20.936 -9.784 -13.251 1.00 0.00 N ATOM 267 CA GLU A 17 -21.446 -10.713 -12.229 1.00 0.00 C ATOM 268 C GLU A 17 -20.787 -12.097 -12.323 1.00 0.00 C ATOM 269 O GLU A 17 -20.401 -12.540 -13.410 1.00 0.00 O ATOM 270 CB GLU A 17 -22.969 -10.869 -12.297 1.00 0.00 C ATOM 271 CG GLU A 17 -23.712 -9.528 -12.342 1.00 0.00 C ATOM 272 CD GLU A 17 -25.118 -9.617 -11.727 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.524 -8.660 -11.023 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.802 -10.651 -11.925 1.00 0.00 O ATOM 0 H GLU A 17 -21.577 -9.603 -14.023 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.184 -10.267 -11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.229 -11.451 -13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.309 -11.436 -11.431 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.132 -8.776 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.791 -9.194 -13.377 1.00 0.00 H new ATOM 281 N VAL A 18 -20.694 -12.802 -11.190 1.00 0.00 N ATOM 282 CA VAL A 18 -20.177 -14.182 -11.147 1.00 0.00 C ATOM 283 C VAL A 18 -21.286 -15.186 -11.497 1.00 0.00 C ATOM 284 O VAL A 18 -22.480 -14.904 -11.309 1.00 0.00 O ATOM 285 CB VAL A 18 -19.546 -14.550 -9.788 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.472 -13.540 -9.371 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.556 -14.703 -8.645 1.00 0.00 C ATOM 0 H VAL A 18 -20.973 -12.438 -10.279 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.384 -14.235 -11.893 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.096 -15.529 -9.956 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.051 -13.833 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.682 -13.518 -10.122 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.918 -12.549 -9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.029 -14.962 -7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.091 -13.764 -8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.267 -15.492 -8.891 1.00 0.00 H new ATOM 297 N CYS A 19 -20.908 -16.372 -11.981 1.00 0.00 N ATOM 298 CA CYS A 19 -21.867 -17.432 -12.292 1.00 0.00 C ATOM 299 C CYS A 19 -22.381 -18.095 -11.001 1.00 0.00 C ATOM 300 O CYS A 19 -21.607 -18.482 -10.118 1.00 0.00 O ATOM 301 CB CYS A 19 -21.215 -18.448 -13.226 1.00 0.00 C ATOM 302 SG CYS A 19 -22.424 -19.673 -13.820 1.00 0.00 S ATOM 0 H CYS A 19 -19.937 -16.622 -12.167 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.731 -17.003 -12.799 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.771 -17.931 -14.076 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.405 -18.957 -12.704 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.222 -19.904 -15.083 1.00 0.00 H new ATOM 307 N ARG A 20 -23.706 -18.220 -10.874 1.00 0.00 N ATOM 308 CA ARG A 20 -24.378 -18.775 -9.688 1.00 0.00 C ATOM 309 C ARG A 20 -24.115 -20.268 -9.490 1.00 0.00 C ATOM 310 O ARG A 20 -24.106 -20.741 -8.355 1.00 0.00 O ATOM 311 CB ARG A 20 -25.891 -18.528 -9.752 1.00 0.00 C ATOM 312 CG ARG A 20 -26.318 -17.048 -9.726 1.00 0.00 C ATOM 313 CD ARG A 20 -26.049 -16.288 -11.036 1.00 0.00 C ATOM 314 NE ARG A 20 -26.877 -15.073 -11.136 1.00 0.00 N ATOM 315 CZ ARG A 20 -26.482 -13.838 -11.399 1.00 0.00 C ATOM 316 NH1 ARG A 20 -25.244 -13.479 -11.574 1.00 0.00 N ATOM 317 NH2 ARG A 20 -27.350 -12.878 -11.490 1.00 0.00 N ATOM 0 H ARG A 20 -24.357 -17.933 -11.605 1.00 0.00 H new ATOM 0 HA ARG A 20 -23.952 -18.252 -8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.279 -18.985 -10.662 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.362 -19.040 -8.913 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.383 -16.993 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.794 -16.545 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.995 -16.016 -11.090 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.254 -16.940 -11.885 1.00 0.00 H new ATOM 0 HE ARG A 20 -27.878 -15.200 -10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.498 -14.172 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.019 -12.504 -11.774 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -28.342 -13.074 -11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -27.040 -11.928 -11.693 1.00 0.00 H new ATOM 331 N GLU A 21 -23.872 -21.012 -10.564 1.00 0.00 N ATOM 332 CA GLU A 21 -23.575 -22.443 -10.485 1.00 0.00 C ATOM 333 C GLU A 21 -22.099 -22.675 -10.154 1.00 0.00 C ATOM 334 O GLU A 21 -21.763 -23.598 -9.412 1.00 0.00 O ATOM 335 CB GLU A 21 -23.942 -23.130 -11.799 1.00 0.00 C ATOM 336 CG GLU A 21 -25.430 -23.000 -12.165 1.00 0.00 C ATOM 337 CD GLU A 21 -26.354 -23.734 -11.171 1.00 0.00 C ATOM 338 OE1 GLU A 21 -26.572 -23.232 -10.041 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.882 -24.820 -11.514 1.00 0.00 O ATOM 0 H GLU A 21 -23.875 -20.643 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 21 -24.174 -22.875 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.340 -22.705 -12.602 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.684 -24.187 -11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.702 -21.945 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.590 -23.400 -13.166 1.00 0.00 H new ATOM 346 N PHE A 22 -21.213 -21.794 -10.626 1.00 0.00 N ATOM 347 CA PHE A 22 -19.792 -21.800 -10.270 1.00 0.00 C ATOM 348 C PHE A 22 -19.633 -21.495 -8.772 1.00 0.00 C ATOM 349 O PHE A 22 -18.814 -22.111 -8.089 1.00 0.00 O ATOM 350 CB PHE A 22 -19.079 -20.768 -11.141 1.00 0.00 C ATOM 351 CG PHE A 22 -17.574 -20.704 -10.990 1.00 0.00 C ATOM 352 CD1 PHE A 22 -16.759 -21.604 -11.701 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.986 -19.716 -10.177 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.360 -21.541 -11.567 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.588 -19.642 -10.058 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.775 -20.561 -10.746 1.00 0.00 C ATOM 0 H PHE A 22 -21.466 -21.048 -11.274 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.347 -22.779 -10.450 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.312 -20.979 -12.185 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.490 -19.784 -10.915 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.207 -22.343 -12.349 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.610 -19.014 -9.644 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.735 -22.246 -12.095 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.138 -18.880 -9.439 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.701 -20.514 -10.643 1.00 0.00 H new ATOM 366 N GLN A 23 -20.493 -20.616 -8.236 1.00 0.00 N ATOM 367 CA GLN A 23 -20.570 -20.307 -6.798 1.00 0.00 C ATOM 368 C GLN A 23 -21.023 -21.516 -5.956 1.00 0.00 C ATOM 369 O GLN A 23 -20.794 -21.552 -4.745 1.00 0.00 O ATOM 370 CB GLN A 23 -21.532 -19.129 -6.550 1.00 0.00 C ATOM 371 CG GLN A 23 -20.966 -17.761 -6.946 1.00 0.00 C ATOM 372 CD GLN A 23 -19.890 -17.269 -5.977 1.00 0.00 C ATOM 373 OE1 GLN A 23 -20.150 -16.937 -4.828 1.00 0.00 O ATOM 374 NE2 GLN A 23 -18.642 -17.203 -6.394 1.00 0.00 N ATOM 0 H GLN A 23 -21.165 -20.092 -8.796 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.561 -20.039 -6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.453 -19.303 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.797 -19.108 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -20.546 -17.822 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.777 -17.033 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.408 -17.476 -7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -17.910 -16.879 -5.762 1.00 0.00 H new ATOM 383 N ARG A 24 -21.640 -22.516 -6.601 1.00 0.00 N ATOM 384 CA ARG A 24 -22.126 -23.770 -6.008 1.00 0.00 C ATOM 385 C ARG A 24 -21.248 -24.979 -6.384 1.00 0.00 C ATOM 386 O ARG A 24 -21.571 -26.111 -6.021 1.00 0.00 O ATOM 387 CB ARG A 24 -23.587 -23.980 -6.431 1.00 0.00 C ATOM 388 CG ARG A 24 -24.519 -22.952 -5.775 1.00 0.00 C ATOM 389 CD ARG A 24 -25.917 -23.043 -6.382 1.00 0.00 C ATOM 390 NE ARG A 24 -26.608 -24.290 -5.996 1.00 0.00 N ATOM 391 CZ ARG A 24 -27.206 -25.171 -6.780 1.00 0.00 C ATOM 392 NH1 ARG A 24 -27.298 -25.048 -8.073 1.00 0.00 N ATOM 393 NH2 ARG A 24 -27.744 -26.237 -6.258 1.00 0.00 N ATOM 0 H ARG A 24 -21.823 -22.469 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 24 -22.066 -23.690 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -23.667 -23.904 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -23.904 -24.986 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -24.569 -23.129 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -24.119 -21.948 -5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.509 -22.186 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -25.845 -22.990 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.626 -24.498 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.895 -24.235 -8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.773 -25.765 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -27.702 -26.388 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -28.207 -26.920 -6.857 1.00 0.00 H new ATOM 407 N GLY A 25 -20.150 -24.756 -7.118 1.00 0.00 N ATOM 408 CA GLY A 25 -19.227 -25.793 -7.597 1.00 0.00 C ATOM 409 C GLY A 25 -19.878 -26.800 -8.558 1.00 0.00 C ATOM 410 O GLY A 25 -19.546 -27.986 -8.515 1.00 0.00 O ATOM 0 H GLY A 25 -19.871 -23.818 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.386 -25.315 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.822 -26.331 -6.740 1.00 0.00 H new ATOM 414 N THR A 26 -20.834 -26.352 -9.384 1.00 0.00 N ATOM 415 CA THR A 26 -21.627 -27.214 -10.285 1.00 0.00 C ATOM 416 C THR A 26 -21.865 -26.651 -11.703 1.00 0.00 C ATOM 417 O THR A 26 -22.732 -27.162 -12.421 1.00 0.00 O ATOM 418 CB THR A 26 -22.932 -27.618 -9.564 1.00 0.00 C ATOM 419 OG1 THR A 26 -23.552 -28.730 -10.176 1.00 0.00 O ATOM 420 CG2 THR A 26 -23.962 -26.491 -9.449 1.00 0.00 C ATOM 0 H THR A 26 -21.085 -25.366 -9.449 1.00 0.00 H new ATOM 0 HA THR A 26 -21.029 -28.102 -10.490 1.00 0.00 H new ATOM 0 HB THR A 26 -22.606 -27.875 -8.556 1.00 0.00 H new ATOM 0 HG1 THR A 26 -23.502 -28.637 -11.150 1.00 0.00 H new ATOM 0 HG21 THR A 26 -24.847 -26.859 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 26 -23.532 -25.661 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 26 -24.241 -26.150 -10.446 1.00 0.00 H new ATOM 428 N CYS A 27 -21.107 -25.632 -12.141 1.00 0.00 N ATOM 429 CA CYS A 27 -21.206 -25.099 -13.512 1.00 0.00 C ATOM 430 C CYS A 27 -20.771 -26.159 -14.568 1.00 0.00 C ATOM 431 O CYS A 27 -20.202 -27.205 -14.228 1.00 0.00 O ATOM 432 CB CYS A 27 -20.437 -23.766 -13.616 1.00 0.00 C ATOM 433 SG CYS A 27 -20.981 -22.823 -15.084 1.00 0.00 S ATOM 0 H CYS A 27 -20.414 -25.158 -11.562 1.00 0.00 H new ATOM 0 HA CYS A 27 -22.249 -24.880 -13.740 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.601 -23.174 -12.716 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.366 -23.961 -13.679 1.00 0.00 H new ATOM 0 HG CYS A 27 -21.485 -21.686 -14.707 1.00 0.00 H new ATOM 438 N SER A 28 -21.029 -25.889 -15.852 1.00 0.00 N ATOM 439 CA SER A 28 -20.783 -26.810 -16.984 1.00 0.00 C ATOM 440 C SER A 28 -19.987 -26.218 -18.161 1.00 0.00 C ATOM 441 O SER A 28 -19.852 -26.872 -19.200 1.00 0.00 O ATOM 442 CB SER A 28 -22.124 -27.364 -17.500 1.00 0.00 C ATOM 443 OG SER A 28 -22.837 -28.052 -16.482 1.00 0.00 O ATOM 0 H SER A 28 -21.427 -24.998 -16.149 1.00 0.00 H new ATOM 0 HA SER A 28 -20.150 -27.598 -16.576 1.00 0.00 H new ATOM 0 HB2 SER A 28 -22.734 -26.544 -17.880 1.00 0.00 H new ATOM 0 HB3 SER A 28 -21.941 -28.040 -18.336 1.00 0.00 H new ATOM 0 HG SER A 28 -23.683 -28.388 -16.845 1.00 0.00 H new ATOM 449 N ARG A 29 -19.453 -24.996 -18.033 1.00 0.00 N ATOM 450 CA ARG A 29 -18.687 -24.283 -19.071 1.00 0.00 C ATOM 451 C ARG A 29 -17.441 -23.589 -18.491 1.00 0.00 C ATOM 452 O ARG A 29 -17.505 -23.084 -17.368 1.00 0.00 O ATOM 453 CB ARG A 29 -19.594 -23.202 -19.676 1.00 0.00 C ATOM 454 CG ARG A 29 -20.722 -23.755 -20.560 1.00 0.00 C ATOM 455 CD ARG A 29 -21.485 -22.579 -21.174 1.00 0.00 C ATOM 456 NE ARG A 29 -22.547 -23.013 -22.098 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.092 -22.282 -23.055 1.00 0.00 C ATOM 458 NH1 ARG A 29 -24.077 -22.759 -23.761 1.00 0.00 N ATOM 459 NH2 ARG A 29 -22.683 -21.074 -23.337 1.00 0.00 N ATOM 0 H ARG A 29 -19.544 -24.455 -17.173 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.361 -25.010 -19.815 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -20.033 -22.617 -18.868 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -18.984 -22.520 -20.268 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -20.310 -24.390 -21.345 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.396 -24.375 -19.969 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -21.925 -21.980 -20.377 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -20.785 -21.935 -21.707 1.00 0.00 H new ATOM 0 HE ARG A 29 -22.894 -23.966 -21.989 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -24.429 -23.698 -23.576 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.496 -22.193 -24.499 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -21.914 -20.660 -22.810 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -23.132 -20.545 -24.084 1.00 0.00 H new ATOM 473 N PRO A 30 -16.321 -23.505 -19.232 1.00 0.00 N ATOM 474 CA PRO A 30 -15.160 -22.722 -18.806 1.00 0.00 C ATOM 475 C PRO A 30 -15.488 -21.214 -18.857 1.00 0.00 C ATOM 476 O PRO A 30 -16.484 -20.795 -19.456 1.00 0.00 O ATOM 477 CB PRO A 30 -14.047 -23.093 -19.794 1.00 0.00 C ATOM 478 CG PRO A 30 -14.812 -23.428 -21.073 1.00 0.00 C ATOM 479 CD PRO A 30 -16.086 -24.087 -20.546 1.00 0.00 C ATOM 0 HA PRO A 30 -14.863 -22.934 -17.779 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.352 -22.267 -19.945 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.462 -23.942 -19.441 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.031 -22.535 -21.658 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.246 -24.101 -21.718 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.928 -23.899 -21.213 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.968 -25.168 -20.479 1.00 0.00 H new ATOM 487 N ASP A 31 -14.633 -20.372 -18.265 1.00 0.00 N ATOM 488 CA ASP A 31 -14.793 -18.901 -18.281 1.00 0.00 C ATOM 489 C ASP A 31 -14.932 -18.337 -19.713 1.00 0.00 C ATOM 490 O ASP A 31 -15.644 -17.361 -19.947 1.00 0.00 O ATOM 491 CB ASP A 31 -13.589 -18.267 -17.571 1.00 0.00 C ATOM 492 CG ASP A 31 -13.757 -16.750 -17.364 1.00 0.00 C ATOM 493 OD1 ASP A 31 -12.942 -15.986 -17.933 1.00 0.00 O ATOM 494 OD2 ASP A 31 -14.671 -16.334 -16.612 1.00 0.00 O ATOM 0 H ASP A 31 -13.806 -20.686 -17.758 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.717 -18.652 -17.759 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.447 -18.749 -16.604 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.688 -18.453 -18.155 1.00 0.00 H new ATOM 499 N THR A 32 -14.291 -18.995 -20.685 1.00 0.00 N ATOM 500 CA THR A 32 -14.326 -18.678 -22.123 1.00 0.00 C ATOM 501 C THR A 32 -15.657 -18.990 -22.824 1.00 0.00 C ATOM 502 O THR A 32 -15.810 -18.634 -23.992 1.00 0.00 O ATOM 503 CB THR A 32 -13.183 -19.398 -22.861 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.159 -20.768 -22.521 1.00 0.00 O ATOM 505 CG2 THR A 32 -11.822 -18.808 -22.489 1.00 0.00 C ATOM 0 H THR A 32 -13.703 -19.804 -20.483 1.00 0.00 H new ATOM 0 HA THR A 32 -14.204 -17.596 -22.173 1.00 0.00 H new ATOM 0 HB THR A 32 -13.365 -19.269 -23.928 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.428 -21.211 -23.000 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.036 -19.338 -23.027 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.797 -17.752 -22.759 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.661 -18.912 -21.416 1.00 0.00 H new ATOM 513 N GLU A 33 -16.620 -19.638 -22.155 1.00 0.00 N ATOM 514 CA GLU A 33 -17.907 -20.064 -22.738 1.00 0.00 C ATOM 515 C GLU A 33 -19.171 -19.734 -21.920 1.00 0.00 C ATOM 516 O GLU A 33 -20.263 -19.711 -22.502 1.00 0.00 O ATOM 517 CB GLU A 33 -17.844 -21.587 -22.974 1.00 0.00 C ATOM 518 CG GLU A 33 -17.101 -21.944 -24.267 1.00 0.00 C ATOM 519 CD GLU A 33 -17.184 -23.455 -24.561 1.00 0.00 C ATOM 520 OE1 GLU A 33 -18.217 -23.912 -25.108 1.00 0.00 O ATOM 521 OE2 GLU A 33 -16.214 -24.194 -24.265 1.00 0.00 O ATOM 0 H GLU A 33 -16.527 -19.888 -21.170 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.017 -19.488 -23.657 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.348 -22.063 -22.129 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -18.857 -21.988 -23.016 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.527 -21.385 -25.100 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.056 -21.644 -24.183 1.00 0.00 H new ATOM 528 N CYS A 34 -19.074 -19.501 -20.606 1.00 0.00 N ATOM 529 CA CYS A 34 -20.245 -19.224 -19.762 1.00 0.00 C ATOM 530 C CYS A 34 -20.874 -17.823 -19.986 1.00 0.00 C ATOM 531 O CYS A 34 -20.320 -16.956 -20.673 1.00 0.00 O ATOM 532 CB CYS A 34 -19.892 -19.517 -18.294 1.00 0.00 C ATOM 533 SG CYS A 34 -21.395 -19.924 -17.335 1.00 0.00 S ATOM 0 H CYS A 34 -18.189 -19.499 -20.099 1.00 0.00 H new ATOM 0 HA CYS A 34 -21.045 -19.899 -20.066 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.187 -20.347 -18.243 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.398 -18.651 -17.854 1.00 0.00 H new ATOM 0 HG CYS A 34 -21.160 -20.952 -16.575 1.00 0.00 H new ATOM 538 N LYS A 35 -22.058 -17.617 -19.394 1.00 0.00 N ATOM 539 CA LYS A 35 -22.881 -16.388 -19.473 1.00 0.00 C ATOM 540 C LYS A 35 -22.546 -15.339 -18.401 1.00 0.00 C ATOM 541 O LYS A 35 -22.987 -14.192 -18.510 1.00 0.00 O ATOM 542 CB LYS A 35 -24.370 -16.759 -19.407 1.00 0.00 C ATOM 543 CG LYS A 35 -24.808 -17.605 -20.617 1.00 0.00 C ATOM 544 CD LYS A 35 -26.325 -17.843 -20.663 1.00 0.00 C ATOM 545 CE LYS A 35 -26.809 -18.615 -19.429 1.00 0.00 C ATOM 546 NZ LYS A 35 -28.265 -18.903 -19.499 1.00 0.00 N ATOM 0 H LYS A 35 -22.496 -18.335 -18.816 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.645 -15.920 -20.429 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.565 -17.312 -18.488 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -24.969 -15.849 -19.365 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -24.496 -17.106 -21.535 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.295 -18.566 -20.586 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -26.843 -16.886 -20.721 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -26.580 -18.399 -21.565 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -26.256 -19.551 -19.345 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -26.595 -18.036 -18.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -28.557 -19.426 -18.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -28.793 -18.009 -19.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -28.465 -19.476 -20.343 1.00 0.00 H new ATOM 560 N PHE A 36 -21.739 -15.717 -17.411 1.00 0.00 N ATOM 561 CA PHE A 36 -21.229 -14.887 -16.313 1.00 0.00 C ATOM 562 C PHE A 36 -19.745 -15.235 -16.053 1.00 0.00 C ATOM 563 O PHE A 36 -19.209 -16.178 -16.641 1.00 0.00 O ATOM 564 CB PHE A 36 -22.085 -15.101 -15.057 1.00 0.00 C ATOM 565 CG PHE A 36 -23.545 -14.699 -15.157 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.558 -15.675 -15.077 1.00 0.00 C ATOM 567 CD2 PHE A 36 -23.894 -13.339 -15.269 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.911 -15.293 -15.109 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.247 -12.957 -15.299 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.257 -13.934 -15.218 1.00 0.00 C ATOM 0 H PHE A 36 -21.399 -16.677 -17.348 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.291 -13.833 -16.583 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -22.039 -16.156 -14.788 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.633 -14.543 -14.237 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -24.295 -16.719 -14.991 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.121 -12.588 -15.332 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -26.685 -16.044 -15.050 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -25.511 -11.913 -15.384 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.296 -13.641 -15.240 1.00 0.00 H new ATOM 580 N ALA A 37 -19.053 -14.467 -15.204 1.00 0.00 N ATOM 581 CA ALA A 37 -17.622 -14.657 -14.956 1.00 0.00 C ATOM 582 C ALA A 37 -17.287 -15.763 -13.929 1.00 0.00 C ATOM 583 O ALA A 37 -18.045 -16.015 -12.988 1.00 0.00 O ATOM 584 CB ALA A 37 -17.060 -13.310 -14.504 1.00 0.00 C ATOM 0 H ALA A 37 -19.467 -13.701 -14.673 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.163 -15.003 -15.882 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.992 -13.408 -14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.218 -12.568 -15.287 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.568 -12.991 -13.594 1.00 0.00 H new ATOM 590 N HIS A 38 -16.114 -16.385 -14.092 1.00 0.00 N ATOM 591 CA HIS A 38 -15.574 -17.449 -13.235 1.00 0.00 C ATOM 592 C HIS A 38 -14.187 -17.043 -12.670 1.00 0.00 C ATOM 593 O HIS A 38 -13.162 -17.332 -13.299 1.00 0.00 O ATOM 594 CB HIS A 38 -15.487 -18.768 -14.033 1.00 0.00 C ATOM 595 CG HIS A 38 -16.790 -19.355 -14.523 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.936 -20.261 -15.553 1.00 0.00 N ATOM 597 CD2 HIS A 38 -18.043 -19.136 -14.014 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.244 -20.563 -15.661 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.962 -19.894 -14.751 1.00 0.00 N ATOM 0 H HIS A 38 -15.485 -16.150 -14.860 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.244 -17.600 -12.389 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.844 -18.601 -14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.993 -19.512 -13.407 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.185 -20.637 -16.132 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.282 -18.488 -13.184 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.657 -21.251 -16.383 1.00 0.00 H new ATOM 607 N PRO A 39 -14.113 -16.351 -11.511 1.00 0.00 N ATOM 608 CA PRO A 39 -12.844 -15.897 -10.926 1.00 0.00 C ATOM 609 C PRO A 39 -11.873 -17.027 -10.551 1.00 0.00 C ATOM 610 O PRO A 39 -12.282 -18.112 -10.126 1.00 0.00 O ATOM 611 CB PRO A 39 -13.215 -15.088 -9.677 1.00 0.00 C ATOM 612 CG PRO A 39 -14.627 -15.548 -9.330 1.00 0.00 C ATOM 613 CD PRO A 39 -15.232 -15.923 -10.681 1.00 0.00 C ATOM 0 HA PRO A 39 -12.308 -15.312 -11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.522 -15.282 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.184 -14.016 -9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.614 -16.398 -8.648 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.197 -14.757 -8.843 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.966 -16.721 -10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.748 -15.073 -11.128 1.00 0.00 H new ATOM 621 N SER A 40 -10.572 -16.740 -10.656 1.00 0.00 N ATOM 622 CA SER A 40 -9.487 -17.643 -10.248 1.00 0.00 C ATOM 623 C SER A 40 -9.209 -17.560 -8.740 1.00 0.00 C ATOM 624 O SER A 40 -9.809 -16.765 -8.007 1.00 0.00 O ATOM 625 CB SER A 40 -8.193 -17.287 -10.998 1.00 0.00 C ATOM 626 OG SER A 40 -7.657 -16.063 -10.513 1.00 0.00 O ATOM 0 H SER A 40 -10.235 -15.855 -11.035 1.00 0.00 H new ATOM 0 HA SER A 40 -9.807 -18.656 -10.492 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.462 -18.086 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.396 -17.204 -12.066 1.00 0.00 H new ATOM 0 HG SER A 40 -8.234 -15.321 -10.789 1.00 0.00 H new ATOM 632 N LYS A 41 -8.217 -18.336 -8.285 1.00 0.00 N ATOM 633 CA LYS A 41 -7.683 -18.322 -6.914 1.00 0.00 C ATOM 634 C LYS A 41 -7.072 -16.963 -6.509 1.00 0.00 C ATOM 635 O LYS A 41 -6.894 -16.724 -5.312 1.00 0.00 O ATOM 636 CB LYS A 41 -6.616 -19.427 -6.806 1.00 0.00 C ATOM 637 CG LYS A 41 -7.152 -20.867 -6.942 1.00 0.00 C ATOM 638 CD LYS A 41 -8.210 -21.283 -5.905 1.00 0.00 C ATOM 639 CE LYS A 41 -7.692 -21.169 -4.464 1.00 0.00 C ATOM 640 NZ LYS A 41 -8.698 -21.653 -3.481 1.00 0.00 N ATOM 0 H LYS A 41 -7.746 -19.016 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.513 -18.497 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.864 -19.261 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.113 -19.332 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.580 -20.984 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.311 -21.557 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.095 -20.657 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.519 -22.310 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.774 -21.747 -4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.441 -20.130 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.315 -21.561 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.565 -21.085 -3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.918 -22.651 -3.672 1.00 0.00 H new ATOM 654 N SER A 42 -6.758 -16.089 -7.474 1.00 0.00 N ATOM 655 CA SER A 42 -6.144 -14.766 -7.251 1.00 0.00 C ATOM 656 C SER A 42 -7.082 -13.575 -7.509 1.00 0.00 C ATOM 657 O SER A 42 -6.799 -12.474 -7.029 1.00 0.00 O ATOM 658 CB SER A 42 -4.865 -14.628 -8.091 1.00 0.00 C ATOM 659 OG SER A 42 -3.947 -15.657 -7.751 1.00 0.00 O ATOM 0 H SER A 42 -6.927 -16.285 -8.461 1.00 0.00 H new ATOM 0 HA SER A 42 -5.906 -14.726 -6.188 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.109 -14.683 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.410 -13.652 -7.919 1.00 0.00 H new ATOM 0 HG SER A 42 -3.135 -15.563 -8.292 1.00 0.00 H new ATOM 665 N CYS A 43 -8.197 -13.752 -8.232 1.00 0.00 N ATOM 666 CA CYS A 43 -9.164 -12.680 -8.483 1.00 0.00 C ATOM 667 C CYS A 43 -9.935 -12.265 -7.213 1.00 0.00 C ATOM 668 O CYS A 43 -10.126 -13.065 -6.293 1.00 0.00 O ATOM 669 CB CYS A 43 -10.124 -13.108 -9.603 1.00 0.00 C ATOM 670 SG CYS A 43 -9.179 -13.309 -11.141 1.00 0.00 S ATOM 0 H CYS A 43 -8.452 -14.643 -8.658 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.610 -11.796 -8.799 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.618 -14.043 -9.339 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.906 -12.360 -9.736 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.929 -13.873 -12.041 1.00 0.00 H new ATOM 676 N GLN A 44 -10.412 -11.016 -7.185 1.00 0.00 N ATOM 677 CA GLN A 44 -11.192 -10.447 -6.075 1.00 0.00 C ATOM 678 C GLN A 44 -12.658 -10.223 -6.475 1.00 0.00 C ATOM 679 O GLN A 44 -12.947 -9.820 -7.604 1.00 0.00 O ATOM 680 CB GLN A 44 -10.553 -9.130 -5.599 1.00 0.00 C ATOM 681 CG GLN A 44 -9.249 -9.392 -4.831 1.00 0.00 C ATOM 682 CD GLN A 44 -8.656 -8.118 -4.230 1.00 0.00 C ATOM 683 OE1 GLN A 44 -7.657 -7.578 -4.691 1.00 0.00 O ATOM 684 NE2 GLN A 44 -9.230 -7.586 -3.171 1.00 0.00 N ATOM 0 H GLN A 44 -10.265 -10.356 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.181 -11.163 -5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.350 -8.490 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.253 -8.593 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.439 -10.111 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.521 -9.846 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.062 -8.019 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.842 -6.741 -2.751 1.00 0.00 H new ATOM 693 N VAL A 45 -13.579 -10.494 -5.541 1.00 0.00 N ATOM 694 CA VAL A 45 -15.033 -10.398 -5.736 1.00 0.00 C ATOM 695 C VAL A 45 -15.735 -9.663 -4.588 1.00 0.00 C ATOM 696 O VAL A 45 -15.323 -9.757 -3.430 1.00 0.00 O ATOM 697 CB VAL A 45 -15.679 -11.780 -6.038 1.00 0.00 C ATOM 698 CG1 VAL A 45 -14.706 -12.966 -6.117 1.00 0.00 C ATOM 699 CG2 VAL A 45 -16.863 -12.198 -5.157 1.00 0.00 C ATOM 0 H VAL A 45 -13.326 -10.795 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.183 -9.784 -6.624 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.064 -11.563 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.262 -13.879 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.980 -12.788 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.185 -13.073 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -17.221 -13.179 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -16.544 -12.244 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -17.667 -11.469 -5.258 1.00 0.00 H new ATOM 709 N GLU A 46 -16.826 -8.966 -4.912 1.00 0.00 N ATOM 710 CA GLU A 46 -17.694 -8.236 -3.975 1.00 0.00 C ATOM 711 C GLU A 46 -19.161 -8.288 -4.445 1.00 0.00 C ATOM 712 O GLU A 46 -19.430 -8.172 -5.641 1.00 0.00 O ATOM 713 CB GLU A 46 -17.271 -6.759 -3.872 1.00 0.00 C ATOM 714 CG GLU A 46 -15.900 -6.544 -3.217 1.00 0.00 C ATOM 715 CD GLU A 46 -15.637 -5.046 -2.971 1.00 0.00 C ATOM 716 OE1 GLU A 46 -15.974 -4.538 -1.872 1.00 0.00 O ATOM 717 OE2 GLU A 46 -15.084 -4.364 -3.868 1.00 0.00 O ATOM 0 H GLU A 46 -17.146 -8.889 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.597 -8.714 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.256 -6.326 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.024 -6.216 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.855 -7.085 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.119 -6.954 -3.857 1.00 0.00 H new ATOM 724 N ASN A 47 -20.115 -8.440 -3.514 1.00 0.00 N ATOM 725 CA ASN A 47 -21.572 -8.496 -3.761 1.00 0.00 C ATOM 726 C ASN A 47 -22.011 -9.424 -4.926 1.00 0.00 C ATOM 727 O ASN A 47 -23.004 -9.160 -5.608 1.00 0.00 O ATOM 728 CB ASN A 47 -22.086 -7.047 -3.908 1.00 0.00 C ATOM 729 CG ASN A 47 -23.593 -6.899 -3.730 1.00 0.00 C ATOM 730 OD1 ASN A 47 -24.327 -6.538 -4.642 1.00 0.00 O ATOM 731 ND2 ASN A 47 -24.105 -7.138 -2.543 1.00 0.00 N ATOM 0 H ASN A 47 -19.887 -8.532 -2.524 1.00 0.00 H new ATOM 0 HA ASN A 47 -22.040 -8.975 -2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.581 -6.418 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.809 -6.673 -4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -25.106 -7.023 -2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.501 -7.439 -1.778 1.00 0.00 H new ATOM 738 N GLY A 48 -21.265 -10.504 -5.183 1.00 0.00 N ATOM 739 CA GLY A 48 -21.553 -11.438 -6.280 1.00 0.00 C ATOM 740 C GLY A 48 -21.032 -10.979 -7.651 1.00 0.00 C ATOM 741 O GLY A 48 -21.561 -11.398 -8.684 1.00 0.00 O ATOM 0 H GLY A 48 -20.442 -10.757 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.113 -12.407 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.631 -11.584 -6.344 1.00 0.00 H new ATOM 745 N ARG A 49 -20.021 -10.100 -7.685 1.00 0.00 N ATOM 746 CA ARG A 49 -19.427 -9.535 -8.908 1.00 0.00 C ATOM 747 C ARG A 49 -17.905 -9.467 -8.828 1.00 0.00 C ATOM 748 O ARG A 49 -17.322 -9.511 -7.747 1.00 0.00 O ATOM 749 CB ARG A 49 -20.025 -8.147 -9.218 1.00 0.00 C ATOM 750 CG ARG A 49 -21.557 -8.126 -9.148 1.00 0.00 C ATOM 751 CD ARG A 49 -22.181 -6.857 -9.733 1.00 0.00 C ATOM 752 NE ARG A 49 -23.649 -6.956 -9.640 1.00 0.00 N ATOM 753 CZ ARG A 49 -24.382 -6.824 -8.551 1.00 0.00 C ATOM 754 NH1 ARG A 49 -23.916 -6.295 -7.456 1.00 0.00 N ATOM 755 NH2 ARG A 49 -25.603 -7.264 -8.571 1.00 0.00 N ATOM 0 H ARG A 49 -19.579 -9.750 -6.835 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.675 -10.209 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.624 -7.419 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.708 -7.835 -10.213 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.948 -8.992 -9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.866 -8.226 -8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.828 -5.980 -9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.877 -6.733 -10.772 1.00 0.00 H new ATOM 0 HE ARG A 49 -24.150 -7.146 -10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -22.952 -5.965 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -24.515 -6.211 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -25.974 -7.699 -9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -26.191 -7.174 -7.742 1.00 0.00 H new ATOM 769 N VAL A 50 -17.277 -9.358 -9.994 1.00 0.00 N ATOM 770 CA VAL A 50 -15.828 -9.333 -10.236 1.00 0.00 C ATOM 771 C VAL A 50 -15.491 -8.251 -11.258 1.00 0.00 C ATOM 772 O VAL A 50 -16.196 -8.077 -12.248 1.00 0.00 O ATOM 773 CB VAL A 50 -15.335 -10.696 -10.767 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.258 -11.740 -9.658 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.181 -11.311 -11.894 1.00 0.00 C ATOM 0 H VAL A 50 -17.803 -9.278 -10.865 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.331 -9.120 -9.290 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.353 -10.454 -11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.907 -12.685 -10.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.565 -11.402 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.247 -11.880 -9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.749 -12.266 -12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.200 -11.469 -11.540 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.195 -10.635 -12.749 1.00 0.00 H new ATOM 785 N ILE A 51 -14.410 -7.504 -11.038 1.00 0.00 N ATOM 786 CA ILE A 51 -14.005 -6.421 -11.946 1.00 0.00 C ATOM 787 C ILE A 51 -13.092 -6.984 -13.046 1.00 0.00 C ATOM 788 O ILE A 51 -12.126 -7.699 -12.766 1.00 0.00 O ATOM 789 CB ILE A 51 -13.370 -5.252 -11.156 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.368 -4.783 -10.073 1.00 0.00 C ATOM 791 CG2 ILE A 51 -12.999 -4.101 -12.109 1.00 0.00 C ATOM 792 CD1 ILE A 51 -14.006 -3.518 -9.293 1.00 0.00 C ATOM 0 H ILE A 51 -13.793 -7.627 -10.235 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.881 -6.003 -12.441 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.451 -5.585 -10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.334 -4.621 -10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.498 -5.596 -9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.553 -3.286 -11.539 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.284 -4.458 -12.850 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.896 -3.743 -12.613 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.790 -3.302 -8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.061 -3.670 -8.772 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.910 -2.680 -9.983 1.00 0.00 H new ATOM 804 N ALA A 52 -13.406 -6.674 -14.304 1.00 0.00 N ATOM 805 CA ALA A 52 -12.623 -7.091 -15.464 1.00 0.00 C ATOM 806 C ALA A 52 -11.330 -6.258 -15.589 1.00 0.00 C ATOM 807 O ALA A 52 -11.299 -5.078 -15.223 1.00 0.00 O ATOM 808 CB ALA A 52 -13.503 -7.004 -16.716 1.00 0.00 C ATOM 0 H ALA A 52 -14.225 -6.117 -14.548 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.303 -8.126 -15.343 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.927 -7.314 -17.588 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.366 -7.659 -16.600 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.843 -5.977 -16.851 1.00 0.00 H new ATOM 814 N CYS A 53 -10.258 -6.874 -16.093 1.00 0.00 N ATOM 815 CA CYS A 53 -8.938 -6.261 -16.227 1.00 0.00 C ATOM 816 C CYS A 53 -8.907 -5.155 -17.297 1.00 0.00 C ATOM 817 O CYS A 53 -8.796 -5.406 -18.505 1.00 0.00 O ATOM 818 CB CYS A 53 -7.887 -7.362 -16.444 1.00 0.00 C ATOM 819 SG CYS A 53 -6.190 -6.730 -16.187 1.00 0.00 S ATOM 0 H CYS A 53 -10.287 -7.837 -16.427 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.690 -5.742 -15.301 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.077 -8.188 -15.758 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.979 -7.760 -17.455 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.571 -7.485 -15.329 1.00 0.00 H new ATOM 824 N PHE A 54 -9.008 -3.905 -16.836 1.00 0.00 N ATOM 825 CA PHE A 54 -8.906 -2.719 -17.686 1.00 0.00 C ATOM 826 C PHE A 54 -7.528 -2.671 -18.362 1.00 0.00 C ATOM 827 O PHE A 54 -7.429 -2.332 -19.539 1.00 0.00 O ATOM 828 CB PHE A 54 -9.165 -1.440 -16.872 1.00 0.00 C ATOM 829 CG PHE A 54 -8.371 -1.296 -15.585 1.00 0.00 C ATOM 830 CD1 PHE A 54 -8.899 -1.774 -14.369 1.00 0.00 C ATOM 831 CD2 PHE A 54 -7.100 -0.690 -15.602 1.00 0.00 C ATOM 832 CE1 PHE A 54 -8.153 -1.660 -13.182 1.00 0.00 C ATOM 833 CE2 PHE A 54 -6.351 -0.584 -14.417 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.876 -1.068 -13.207 1.00 0.00 C ATOM 0 H PHE A 54 -9.164 -3.688 -15.852 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.669 -2.779 -18.462 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.950 -0.580 -17.506 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.226 -1.398 -16.627 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.878 -2.229 -14.348 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.699 -0.305 -16.528 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.560 -2.027 -12.251 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.371 -0.130 -14.437 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.300 -0.986 -12.297 1.00 0.00 H new ATOM 844 N ASP A 55 -6.468 -3.060 -17.651 1.00 0.00 N ATOM 845 CA ASP A 55 -5.111 -3.122 -18.191 1.00 0.00 C ATOM 846 C ASP A 55 -5.006 -4.127 -19.352 1.00 0.00 C ATOM 847 O ASP A 55 -4.305 -3.851 -20.326 1.00 0.00 O ATOM 848 CB ASP A 55 -4.105 -3.450 -17.080 1.00 0.00 C ATOM 849 CG ASP A 55 -3.926 -2.321 -16.063 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.808 -1.147 -16.487 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.840 -2.625 -14.848 1.00 0.00 O ATOM 0 H ASP A 55 -6.530 -3.344 -16.673 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.867 -2.140 -18.595 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.433 -4.349 -16.558 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.139 -3.678 -17.531 1.00 0.00 H new ATOM 856 N SER A 56 -5.711 -5.262 -19.309 1.00 0.00 N ATOM 857 CA SER A 56 -5.724 -6.235 -20.409 1.00 0.00 C ATOM 858 C SER A 56 -6.407 -5.651 -21.659 1.00 0.00 C ATOM 859 O SER A 56 -5.882 -5.785 -22.768 1.00 0.00 O ATOM 860 CB SER A 56 -6.390 -7.538 -19.946 1.00 0.00 C ATOM 861 OG SER A 56 -6.535 -8.466 -21.011 1.00 0.00 O ATOM 0 H SER A 56 -6.288 -5.533 -18.513 1.00 0.00 H new ATOM 0 HA SER A 56 -4.696 -6.463 -20.691 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.795 -7.988 -19.151 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.369 -7.315 -19.523 1.00 0.00 H new ATOM 0 HG SER A 56 -6.961 -9.283 -20.677 1.00 0.00 H new ATOM 867 N LEU A 57 -7.530 -4.934 -21.499 1.00 0.00 N ATOM 868 CA LEU A 57 -8.239 -4.261 -22.604 1.00 0.00 C ATOM 869 C LEU A 57 -7.439 -3.088 -23.201 1.00 0.00 C ATOM 870 O LEU A 57 -7.434 -2.901 -24.419 1.00 0.00 O ATOM 871 CB LEU A 57 -9.611 -3.759 -22.110 1.00 0.00 C ATOM 872 CG LEU A 57 -10.684 -4.859 -22.025 1.00 0.00 C ATOM 873 CD1 LEU A 57 -11.868 -4.364 -21.192 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.212 -5.270 -23.403 1.00 0.00 C ATOM 0 H LEU A 57 -7.977 -4.802 -20.592 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.368 -4.996 -23.398 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.489 -3.308 -21.125 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.962 -2.974 -22.779 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.210 -5.725 -21.563 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.625 -5.146 -21.135 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.527 -4.115 -20.187 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.297 -3.478 -21.660 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.966 -6.048 -23.286 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.656 -4.405 -23.895 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.390 -5.650 -24.009 1.00 0.00 H new ATOM 886 N LYS A 58 -6.764 -2.293 -22.358 1.00 0.00 N ATOM 887 CA LYS A 58 -5.959 -1.120 -22.759 1.00 0.00 C ATOM 888 C LYS A 58 -4.549 -1.469 -23.275 1.00 0.00 C ATOM 889 O LYS A 58 -3.852 -0.584 -23.773 1.00 0.00 O ATOM 890 CB LYS A 58 -5.888 -0.125 -21.584 1.00 0.00 C ATOM 891 CG LYS A 58 -7.240 0.453 -21.105 1.00 0.00 C ATOM 892 CD LYS A 58 -7.869 1.562 -21.967 1.00 0.00 C ATOM 893 CE LYS A 58 -8.553 1.047 -23.242 1.00 0.00 C ATOM 894 NZ LYS A 58 -9.289 2.133 -23.942 1.00 0.00 N ATOM 0 H LYS A 58 -6.760 -2.449 -21.350 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.466 -0.664 -23.610 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.408 -0.622 -20.741 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.243 0.704 -21.874 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.954 -0.368 -21.035 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.103 0.844 -20.097 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.601 2.104 -21.367 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.094 2.276 -22.245 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.805 0.623 -23.912 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.244 0.244 -22.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.739 1.751 -24.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.019 2.521 -23.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.624 2.888 -24.207 1.00 0.00 H new ATOM 908 N GLY A 59 -4.123 -2.731 -23.176 1.00 0.00 N ATOM 909 CA GLY A 59 -2.811 -3.206 -23.646 1.00 0.00 C ATOM 910 C GLY A 59 -1.651 -2.862 -22.700 1.00 0.00 C ATOM 911 O GLY A 59 -0.568 -2.483 -23.154 1.00 0.00 O ATOM 0 H GLY A 59 -4.689 -3.470 -22.759 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.852 -4.287 -23.777 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.608 -2.774 -24.626 1.00 0.00 H new ATOM 915 N ARG A 60 -1.889 -2.965 -21.386 1.00 0.00 N ATOM 916 CA ARG A 60 -0.958 -2.635 -20.291 1.00 0.00 C ATOM 917 C ARG A 60 -0.648 -3.822 -19.362 1.00 0.00 C ATOM 918 O ARG A 60 0.435 -3.849 -18.773 1.00 0.00 O ATOM 919 CB ARG A 60 -1.559 -1.440 -19.522 1.00 0.00 C ATOM 920 CG ARG A 60 -0.586 -0.814 -18.508 1.00 0.00 C ATOM 921 CD ARG A 60 -1.124 0.420 -17.773 1.00 0.00 C ATOM 922 NE ARG A 60 -1.729 1.427 -18.667 1.00 0.00 N ATOM 923 CZ ARG A 60 -3.017 1.695 -18.814 1.00 0.00 C ATOM 924 NH1 ARG A 60 -3.958 1.041 -18.193 1.00 0.00 N ATOM 925 NH2 ARG A 60 -3.391 2.654 -19.613 1.00 0.00 N ATOM 0 H ARG A 60 -2.786 -3.300 -21.035 1.00 0.00 H new ATOM 0 HA ARG A 60 0.011 -2.374 -20.716 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.869 -0.677 -20.236 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.456 -1.769 -18.998 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.317 -1.570 -17.770 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.331 -0.537 -19.029 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.868 0.101 -17.043 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.310 0.884 -17.216 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.083 1.977 -19.234 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.716 0.281 -17.557 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.936 1.289 -18.343 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.692 3.195 -20.122 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.382 2.864 -19.729 1.00 0.00 H new ATOM 939 N CYS A 61 -1.559 -4.793 -19.224 1.00 0.00 N ATOM 940 CA CYS A 61 -1.370 -5.944 -18.335 1.00 0.00 C ATOM 941 C CYS A 61 -0.213 -6.856 -18.798 1.00 0.00 C ATOM 942 O CYS A 61 -0.144 -7.281 -19.958 1.00 0.00 O ATOM 943 CB CYS A 61 -2.698 -6.704 -18.160 1.00 0.00 C ATOM 944 SG CYS A 61 -2.631 -7.755 -16.669 1.00 0.00 S ATOM 0 H CYS A 61 -2.447 -4.802 -19.726 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.071 -5.574 -17.355 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.523 -5.996 -18.078 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.892 -7.319 -19.039 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.571 -8.651 -16.727 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.496 -11.793 -11.827 1.00 0.00 N ATOM 1014 CA CYS A 66 -3.505 -10.737 -11.903 1.00 0.00 C ATOM 1015 C CYS A 66 -4.664 -11.001 -10.916 1.00 0.00 C ATOM 1016 O CYS A 66 -4.873 -12.132 -10.458 1.00 0.00 O ATOM 1017 CB CYS A 66 -3.932 -10.618 -13.378 1.00 0.00 C ATOM 1018 SG CYS A 66 -4.595 -8.969 -13.757 1.00 0.00 S ATOM 0 HA CYS A 66 -3.106 -9.773 -11.588 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.077 -10.823 -14.022 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.686 -11.373 -13.600 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.956 -8.467 -14.772 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.405 -9.941 -10.573 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.523 -9.946 -9.606 1.00 0.00 C ATOM 1025 C LYS A 67 -7.871 -9.571 -10.228 1.00 0.00 C ATOM 1026 O LYS A 67 -8.881 -9.481 -9.524 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.220 -8.991 -8.442 1.00 0.00 C ATOM 1028 CG LYS A 67 -4.816 -9.166 -7.845 1.00 0.00 C ATOM 1029 CD LYS A 67 -4.691 -8.500 -6.467 1.00 0.00 C ATOM 1030 CE LYS A 67 -4.888 -6.979 -6.530 1.00 0.00 C ATOM 1031 NZ LYS A 67 -5.102 -6.409 -5.176 1.00 0.00 N ATOM 0 H LYS A 67 -5.241 -9.018 -10.974 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.609 -10.972 -9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.331 -7.964 -8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.960 -9.144 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.589 -10.228 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.078 -8.738 -8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.429 -8.931 -5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.709 -8.719 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.015 -6.515 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.743 -6.746 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.097 -5.371 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.018 -6.731 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.341 -6.725 -4.542 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.873 -9.350 -11.536 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.017 -8.923 -12.329 1.00 0.00 C ATOM 1047 C TYR A 68 -9.283 -9.920 -13.469 1.00 0.00 C ATOM 1048 O TYR A 68 -8.383 -10.619 -13.942 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.726 -7.510 -12.846 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.502 -6.458 -11.769 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -7.213 -6.242 -11.237 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.586 -5.685 -11.308 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -7.008 -5.253 -10.253 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -9.387 -4.697 -10.325 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.096 -4.476 -9.797 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.909 -3.514 -8.852 1.00 0.00 O ATOM 0 H TYR A 68 -7.033 -9.470 -12.101 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.924 -8.901 -11.725 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.842 -7.549 -13.483 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.558 -7.192 -13.474 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.381 -6.836 -11.585 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.574 -5.851 -11.711 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.020 -5.090 -9.848 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.222 -4.108 -9.975 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.764 -3.076 -8.657 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.544 -10.020 -13.896 1.00 0.00 N ATOM 1067 CA LEU A 69 -10.968 -10.981 -14.920 1.00 0.00 C ATOM 1068 C LEU A 69 -10.533 -10.552 -16.326 1.00 0.00 C ATOM 1069 O LEU A 69 -11.018 -9.544 -16.837 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.500 -11.166 -14.853 1.00 0.00 C ATOM 1071 CG LEU A 69 -12.991 -12.255 -13.883 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.699 -13.661 -14.409 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.384 -12.137 -12.486 1.00 0.00 C ATOM 0 H LEU A 69 -11.302 -9.437 -13.542 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.479 -11.933 -14.715 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.951 -10.217 -14.565 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.865 -11.402 -15.853 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.067 -12.096 -13.812 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.062 -14.400 -13.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.203 -13.804 -15.365 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.624 -13.783 -14.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.772 -12.935 -11.852 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.299 -12.221 -12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.647 -11.171 -12.055 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.656 -11.324 -16.974 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.245 -11.072 -18.362 1.00 0.00 C ATOM 1087 C HIS A 70 -10.442 -11.397 -19.287 1.00 0.00 C ATOM 1088 O HIS A 70 -10.855 -12.559 -19.329 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.005 -11.902 -18.719 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.707 -11.332 -18.189 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.456 -11.525 -18.735 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.564 -10.405 -17.190 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.595 -10.703 -18.106 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.230 -9.992 -17.160 1.00 0.00 N ATOM 0 H HIS A 70 -9.211 -12.140 -16.554 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.967 -10.026 -18.491 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.132 -12.912 -18.329 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.937 -11.986 -19.804 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.223 -12.177 -19.484 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.349 -10.054 -16.537 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.541 -10.626 -18.331 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.036 -10.406 -19.983 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.248 -10.556 -20.796 1.00 0.00 C ATOM 1104 C PRO A 71 -12.305 -11.761 -21.760 1.00 0.00 C ATOM 1105 O PRO A 71 -11.603 -11.760 -22.778 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.400 -9.229 -21.541 1.00 0.00 C ATOM 1107 CG PRO A 71 -11.829 -8.243 -20.538 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.628 -9.007 -19.992 1.00 0.00 C ATOM 0 HA PRO A 71 -13.077 -10.784 -20.126 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.848 -9.222 -22.481 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.441 -9.012 -21.781 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.536 -7.305 -21.009 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.546 -7.996 -19.755 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.749 -8.857 -20.618 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.367 -8.667 -18.990 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.146 -12.781 -21.493 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.317 -13.922 -22.390 1.00 0.00 C ATOM 1118 C PRO A 72 -14.211 -13.560 -23.596 1.00 0.00 C ATOM 1119 O PRO A 72 -15.102 -12.718 -23.454 1.00 0.00 O ATOM 1120 CB PRO A 72 -13.988 -14.996 -21.533 1.00 0.00 C ATOM 1121 CG PRO A 72 -14.807 -14.201 -20.525 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.002 -12.921 -20.321 1.00 0.00 C ATOM 0 HA PRO A 72 -12.365 -14.253 -22.806 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.620 -15.650 -22.134 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.252 -15.630 -21.039 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.807 -13.987 -20.903 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.930 -14.748 -19.590 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.662 -12.060 -20.217 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.406 -12.978 -19.410 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.046 -14.202 -24.772 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.859 -13.943 -25.969 1.00 0.00 C ATOM 1132 C PRO A 73 -16.380 -13.889 -25.738 1.00 0.00 C ATOM 1133 O PRO A 73 -17.057 -13.017 -26.287 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.483 -15.049 -26.962 1.00 0.00 C ATOM 1135 CG PRO A 73 -13.048 -15.396 -26.576 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.039 -15.215 -25.060 1.00 0.00 C ATOM 0 HA PRO A 73 -14.639 -12.941 -26.337 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.143 -15.912 -26.872 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.549 -14.703 -27.993 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.790 -16.416 -26.861 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.330 -14.737 -27.064 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.272 -16.152 -24.554 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.056 -14.899 -24.710 1.00 0.00 H new ATOM 1144 N HIS A 74 -16.924 -14.786 -24.901 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.361 -14.841 -24.567 1.00 0.00 C ATOM 1146 C HIS A 74 -18.866 -13.683 -23.687 1.00 0.00 C ATOM 1147 O HIS A 74 -20.077 -13.468 -23.626 1.00 0.00 O ATOM 1148 CB HIS A 74 -18.702 -16.208 -23.938 1.00 0.00 C ATOM 1149 CG HIS A 74 -18.927 -17.302 -24.957 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -20.073 -18.069 -25.075 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -18.049 -17.728 -25.917 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -19.896 -18.944 -26.086 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -18.669 -18.752 -26.614 1.00 0.00 N ATOM 0 H HIS A 74 -16.374 -15.504 -24.430 1.00 0.00 H new ATOM 0 HA HIS A 74 -18.893 -14.720 -25.511 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -17.892 -16.504 -23.271 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -19.597 -16.104 -23.325 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -17.058 -17.338 -26.097 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -20.617 -19.677 -26.418 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -18.267 -19.272 -27.394 1.00 0.00 H new ATOM 1162 N LEU A 75 -17.976 -12.921 -23.034 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.337 -11.775 -22.183 1.00 0.00 C ATOM 1164 C LEU A 75 -17.806 -10.436 -22.702 1.00 0.00 C ATOM 1165 O LEU A 75 -18.325 -9.399 -22.291 1.00 0.00 O ATOM 1166 CB LEU A 75 -17.903 -12.002 -20.730 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.481 -13.260 -20.063 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -17.919 -13.408 -18.651 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -19.999 -13.185 -19.957 1.00 0.00 C ATOM 0 H LEU A 75 -16.970 -13.085 -23.082 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.424 -11.711 -22.221 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.815 -12.060 -20.698 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.193 -11.132 -20.141 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.202 -14.112 -20.682 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.334 -14.302 -18.186 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.833 -13.494 -18.699 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.188 -12.533 -18.059 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.376 -14.090 -19.481 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.280 -12.317 -19.360 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.429 -13.094 -20.954 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.848 -10.419 -23.641 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.401 -9.173 -24.292 1.00 0.00 C ATOM 1183 C LYS A 76 -17.590 -8.442 -24.928 1.00 0.00 C ATOM 1184 O LYS A 76 -17.617 -7.219 -24.902 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.289 -9.443 -25.317 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.922 -9.598 -24.626 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.819 -10.098 -25.571 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.551 -9.120 -26.725 1.00 0.00 C ATOM 1189 NZ LYS A 76 -11.432 -9.584 -27.587 1.00 0.00 N ATOM 0 H LYS A 76 -16.365 -11.256 -23.969 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.977 -8.523 -23.526 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.520 -10.348 -25.879 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.246 -8.624 -26.035 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.624 -8.637 -24.206 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.020 -10.294 -23.793 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.900 -10.249 -25.005 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.105 -11.068 -25.979 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.453 -9.010 -27.327 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.316 -8.135 -26.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.279 -8.900 -28.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.566 -9.665 -27.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.668 -10.512 -27.992 1.00 0.00 H new ATOM 1203 N THR A 77 -18.602 -9.166 -25.416 1.00 0.00 N ATOM 1204 CA THR A 77 -19.850 -8.591 -25.952 1.00 0.00 C ATOM 1205 C THR A 77 -20.620 -7.825 -24.867 1.00 0.00 C ATOM 1206 O THR A 77 -21.040 -6.692 -25.087 1.00 0.00 O ATOM 1207 CB THR A 77 -20.744 -9.702 -26.530 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.993 -10.517 -27.407 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.926 -9.151 -27.326 1.00 0.00 C ATOM 0 H THR A 77 -18.581 -10.185 -25.452 1.00 0.00 H new ATOM 0 HA THR A 77 -19.580 -7.892 -26.744 1.00 0.00 H new ATOM 0 HB THR A 77 -21.121 -10.266 -25.677 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.568 -11.223 -27.770 1.00 0.00 H new ATOM 0 HG21 THR A 77 -22.523 -9.978 -27.711 1.00 0.00 H new ATOM 0 HG22 THR A 77 -22.543 -8.529 -26.678 1.00 0.00 H new ATOM 0 HG23 THR A 77 -21.557 -8.552 -28.159 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.759 -8.399 -23.666 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.411 -7.737 -22.528 1.00 0.00 C ATOM 1219 C GLN A 78 -20.602 -6.504 -22.085 1.00 0.00 C ATOM 1220 O GLN A 78 -21.161 -5.422 -21.902 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.567 -8.721 -21.352 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.478 -9.928 -21.645 1.00 0.00 C ATOM 1223 CD GLN A 78 -22.706 -10.822 -20.419 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -22.560 -10.423 -19.271 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -23.080 -12.069 -20.611 1.00 0.00 N ATOM 0 H GLN A 78 -20.422 -9.338 -23.455 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.401 -7.408 -22.843 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.580 -9.087 -21.068 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -21.966 -8.181 -20.493 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -23.441 -9.569 -22.009 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.036 -10.523 -22.444 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -23.208 -12.423 -21.559 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -23.242 -12.682 -19.812 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.278 -6.650 -21.950 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.359 -5.567 -21.574 1.00 0.00 C ATOM 1236 C LEU A 79 -18.347 -4.415 -22.597 1.00 0.00 C ATOM 1237 O LEU A 79 -18.349 -3.253 -22.198 1.00 0.00 O ATOM 1238 CB LEU A 79 -16.952 -6.152 -21.361 1.00 0.00 C ATOM 1239 CG LEU A 79 -16.852 -7.078 -20.132 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.530 -7.836 -20.178 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -16.911 -6.292 -18.821 1.00 0.00 C ATOM 0 H LEU A 79 -18.806 -7.541 -22.102 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.713 -5.126 -20.642 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.660 -6.709 -22.251 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.240 -5.334 -21.249 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.699 -7.763 -20.165 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.456 -8.492 -19.310 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.484 -8.433 -21.089 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.703 -7.126 -20.168 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.837 -6.981 -17.980 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.083 -5.584 -18.784 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.855 -5.750 -18.764 1.00 0.00 H new ATOM 1253 N GLU A 80 -18.396 -4.715 -23.899 1.00 0.00 N ATOM 1254 CA GLU A 80 -18.498 -3.727 -24.989 1.00 0.00 C ATOM 1255 C GLU A 80 -19.721 -2.828 -24.783 1.00 0.00 C ATOM 1256 O GLU A 80 -19.632 -1.603 -24.790 1.00 0.00 O ATOM 1257 CB GLU A 80 -18.720 -4.450 -26.339 1.00 0.00 C ATOM 1258 CG GLU A 80 -17.495 -4.783 -27.177 1.00 0.00 C ATOM 1259 CD GLU A 80 -16.806 -3.516 -27.717 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -17.446 -2.766 -28.494 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -15.629 -3.261 -27.369 1.00 0.00 O ATOM 0 H GLU A 80 -18.365 -5.677 -24.238 1.00 0.00 H new ATOM 0 HA GLU A 80 -17.576 -3.146 -24.990 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -19.250 -5.381 -26.137 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -19.382 -3.831 -26.945 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.787 -5.352 -26.575 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -17.788 -5.420 -28.011 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.878 -3.470 -24.619 1.00 0.00 N ATOM 1269 CA ILE A 81 -22.193 -2.841 -24.489 1.00 0.00 C ATOM 1270 C ILE A 81 -22.303 -2.058 -23.172 1.00 0.00 C ATOM 1271 O ILE A 81 -22.811 -0.935 -23.172 1.00 0.00 O ATOM 1272 CB ILE A 81 -23.246 -3.947 -24.729 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -23.151 -4.351 -26.228 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.674 -3.506 -24.380 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.741 -5.715 -26.579 1.00 0.00 C ATOM 0 H ILE A 81 -20.926 -4.488 -24.571 1.00 0.00 H new ATOM 0 HA ILE A 81 -22.370 -2.067 -25.236 1.00 0.00 H new ATOM 0 HB ILE A 81 -23.033 -4.789 -24.071 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -23.657 -3.591 -26.824 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -22.102 -4.341 -26.523 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -25.365 -4.327 -24.571 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.722 -3.228 -23.327 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.950 -2.649 -24.994 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -23.623 -5.899 -27.647 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.221 -6.492 -26.018 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.800 -5.730 -26.323 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.743 -2.579 -22.075 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.647 -1.856 -20.803 1.00 0.00 C ATOM 1289 C ASN A 82 -20.783 -0.588 -20.969 1.00 0.00 C ATOM 1290 O ASN A 82 -21.149 0.484 -20.483 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.031 -2.769 -19.726 1.00 0.00 C ATOM 1292 CG ASN A 82 -21.947 -3.830 -19.141 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -23.101 -4.003 -19.508 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -21.447 -4.551 -18.162 1.00 0.00 N ATOM 0 H ASN A 82 -21.343 -3.517 -22.045 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.649 -1.560 -20.494 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.161 -3.266 -20.155 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.669 -2.142 -18.911 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -22.022 -5.259 -17.705 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -20.484 -4.403 -17.860 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.648 -0.691 -21.673 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.741 0.428 -21.942 1.00 0.00 C ATOM 1303 C GLY A 83 -19.405 1.503 -22.800 1.00 0.00 C ATOM 1304 O GLY A 83 -19.409 2.677 -22.431 1.00 0.00 O ATOM 0 H GLY A 83 -19.330 -1.572 -22.078 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.415 0.866 -20.999 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.849 0.059 -22.448 1.00 0.00 H new