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 143:sc= 0.763 USER MOD Set 1.2: A 61 CYS SG : rot 138:sc= 0.439 USER MOD Set 1.3: A 66 CYS SG : rot 167:sc= 0.74 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.277 K(o=2.2,f=0.89) USER MOD Set 2.1: A 40 SER OG : rot -82:sc= 1.55 USER MOD Set 2.2: A 42 SER OG : rot 101:sc= 0.717 USER MOD Set 2.3: A 43 CYS SG : rot 180:sc= 0.876 USER MOD Set 3.1: A 19 CYS SG : rot 133:sc= 1.13 USER MOD Set 3.2: A 27 CYS SG : rot 115:sc= 1.24 USER MOD Set 3.3: A 34 CYS SG : rot 134:sc= 3.09 USER MOD Set 3.4: A 38 HIS : no HE2:sc= -0.947 K(o=4.5,f=2.5) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.00893 K(o=0.0089,f=-2.7) USER MOD Single : A 26 THR OG1 : rot -40:sc= 0.371 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.811 (180deg=0.706) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.457 K(o=0.46,f=-0.052) USER MOD Single : A 47 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.61) 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 67 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= 0.147 K(o=0.15,f=-2) 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= -0.0367 X(o=-0.037,f=-0.037) USER MOD Single : A 82 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.857 -0.570 -15.559 1.00 0.00 N ATOM 191 CA TRP A 13 -18.947 -1.369 -16.794 1.00 0.00 C ATOM 192 C TRP A 13 -18.121 -2.673 -16.756 1.00 0.00 C ATOM 193 O TRP A 13 -18.413 -3.610 -17.501 1.00 0.00 O ATOM 194 CB TRP A 13 -18.596 -0.477 -18.003 1.00 0.00 C ATOM 195 CG TRP A 13 -17.268 -0.658 -18.680 1.00 0.00 C ATOM 196 CD1 TRP A 13 -16.952 -1.684 -19.502 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.100 0.222 -18.690 1.00 0.00 C ATOM 198 NE1 TRP A 13 -15.688 -1.506 -20.020 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.112 -0.346 -19.554 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.775 1.450 -18.073 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.870 0.261 -19.788 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.533 2.072 -18.308 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.579 1.481 -19.157 1.00 0.00 C ATOM 0 HA TRP A 13 -19.976 -1.714 -16.893 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.371 -0.622 -18.755 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.660 0.561 -17.676 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.597 -2.522 -19.721 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.236 -2.152 -20.667 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.489 1.919 -17.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.148 -0.203 -20.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.310 3.015 -17.830 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.627 1.964 -19.322 1.00 0.00 H new ATOM 214 N LEU A 14 -17.111 -2.738 -15.882 1.00 0.00 N ATOM 215 CA LEU A 14 -16.181 -3.862 -15.703 1.00 0.00 C ATOM 216 C LEU A 14 -16.576 -4.834 -14.579 1.00 0.00 C ATOM 217 O LEU A 14 -16.062 -5.951 -14.540 1.00 0.00 O ATOM 218 CB LEU A 14 -14.790 -3.286 -15.369 1.00 0.00 C ATOM 219 CG LEU A 14 -14.184 -2.371 -16.445 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.923 -1.714 -15.892 1.00 0.00 C ATOM 221 CD2 LEU A 14 -13.815 -3.135 -17.715 1.00 0.00 C ATOM 0 H LEU A 14 -16.908 -1.967 -15.245 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.195 -4.431 -16.632 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.861 -2.726 -14.437 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.104 -4.115 -15.192 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.938 -1.627 -16.703 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.489 -1.064 -16.651 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.176 -1.124 -15.011 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.202 -2.484 -15.618 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.391 -2.445 -18.445 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.082 -3.906 -17.476 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.708 -3.600 -18.132 1.00 0.00 H new ATOM 233 N THR A 15 -17.441 -4.420 -13.648 1.00 0.00 N ATOM 234 CA THR A 15 -17.887 -5.219 -12.488 1.00 0.00 C ATOM 235 C THR A 15 -18.954 -6.248 -12.911 1.00 0.00 C ATOM 236 O THR A 15 -20.159 -6.048 -12.747 1.00 0.00 O ATOM 237 CB THR A 15 -18.350 -4.324 -11.324 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.450 -3.258 -11.091 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.426 -5.085 -10.003 1.00 0.00 C ATOM 0 H THR A 15 -17.866 -3.493 -13.676 1.00 0.00 H new ATOM 0 HA THR A 15 -17.032 -5.781 -12.113 1.00 0.00 H new ATOM 0 HB THR A 15 -19.333 -3.963 -11.628 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.777 -2.711 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.757 -4.411 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.134 -5.908 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.441 -5.480 -9.754 1.00 0.00 H new ATOM 247 N LEU A 16 -18.490 -7.352 -13.496 1.00 0.00 N ATOM 248 CA LEU A 16 -19.253 -8.475 -14.045 1.00 0.00 C ATOM 249 C LEU A 16 -19.778 -9.384 -12.927 1.00 0.00 C ATOM 250 O LEU A 16 -19.077 -9.612 -11.945 1.00 0.00 O ATOM 251 CB LEU A 16 -18.279 -9.280 -14.938 1.00 0.00 C ATOM 252 CG LEU A 16 -18.685 -9.362 -16.414 1.00 0.00 C ATOM 253 CD1 LEU A 16 -17.517 -9.932 -17.218 1.00 0.00 C ATOM 254 CD2 LEU A 16 -19.911 -10.257 -16.613 1.00 0.00 C ATOM 0 H LEU A 16 -17.487 -7.497 -13.608 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.112 -8.107 -14.605 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.289 -8.829 -14.872 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.195 -10.292 -14.541 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.938 -8.358 -16.755 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -17.796 -9.995 -18.270 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.649 -9.281 -17.110 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.272 -10.927 -16.848 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.169 -10.291 -17.672 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.687 -11.264 -16.262 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.751 -9.854 -16.047 1.00 0.00 H new ATOM 266 N GLU A 17 -20.971 -9.963 -13.063 1.00 0.00 N ATOM 267 CA GLU A 17 -21.464 -10.913 -12.052 1.00 0.00 C ATOM 268 C GLU A 17 -20.737 -12.264 -12.141 1.00 0.00 C ATOM 269 O GLU A 17 -20.330 -12.688 -13.228 1.00 0.00 O ATOM 270 CB GLU A 17 -22.976 -11.154 -12.167 1.00 0.00 C ATOM 271 CG GLU A 17 -23.799 -9.862 -12.201 1.00 0.00 C ATOM 272 CD GLU A 17 -25.174 -10.028 -11.531 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.903 -11.003 -11.839 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.523 -9.166 -10.686 1.00 0.00 O ATOM 0 H GLU A 17 -21.606 -9.799 -13.844 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.256 -10.452 -11.086 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.177 -11.727 -13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.304 -11.763 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.246 -9.068 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.937 -9.549 -13.236 1.00 0.00 H new ATOM 281 N VAL A 18 -20.619 -12.967 -11.009 1.00 0.00 N ATOM 282 CA VAL A 18 -20.069 -14.335 -10.983 1.00 0.00 C ATOM 283 C VAL A 18 -21.165 -15.334 -11.389 1.00 0.00 C ATOM 284 O VAL A 18 -22.350 -15.096 -11.123 1.00 0.00 O ATOM 285 CB VAL A 18 -19.462 -14.717 -9.616 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.407 -13.700 -9.168 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.478 -14.875 -8.480 1.00 0.00 C ATOM 0 H VAL A 18 -20.897 -12.613 -10.094 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.248 -14.371 -11.699 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.017 -15.696 -9.796 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.000 -13.999 -8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.604 -13.661 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.866 -12.715 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.957 -15.144 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.010 -13.935 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.191 -15.659 -8.736 1.00 0.00 H new ATOM 297 N CYS A 19 -20.801 -16.452 -12.023 1.00 0.00 N ATOM 298 CA CYS A 19 -21.776 -17.468 -12.429 1.00 0.00 C ATOM 299 C CYS A 19 -22.464 -18.099 -11.208 1.00 0.00 C ATOM 300 O CYS A 19 -21.820 -18.570 -10.265 1.00 0.00 O ATOM 301 CB CYS A 19 -21.096 -18.507 -13.315 1.00 0.00 C ATOM 302 SG CYS A 19 -22.297 -19.724 -13.942 1.00 0.00 S ATOM 0 H CYS A 19 -19.836 -16.677 -12.267 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.565 -16.994 -13.013 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.606 -18.010 -14.153 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.318 -19.019 -12.749 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.123 -19.887 -15.220 1.00 0.00 H new ATOM 307 N ARG A 20 -23.799 -18.086 -11.221 1.00 0.00 N ATOM 308 CA ARG A 20 -24.651 -18.583 -10.134 1.00 0.00 C ATOM 309 C ARG A 20 -24.499 -20.081 -9.890 1.00 0.00 C ATOM 310 O ARG A 20 -24.704 -20.535 -8.764 1.00 0.00 O ATOM 311 CB ARG A 20 -26.122 -18.236 -10.402 1.00 0.00 C ATOM 312 CG ARG A 20 -26.410 -16.718 -10.428 1.00 0.00 C ATOM 313 CD ARG A 20 -26.105 -16.039 -11.778 1.00 0.00 C ATOM 314 NE ARG A 20 -26.534 -14.625 -11.814 1.00 0.00 N ATOM 315 CZ ARG A 20 -27.722 -14.151 -12.145 1.00 0.00 C ATOM 316 NH1 ARG A 20 -28.734 -14.927 -12.419 1.00 0.00 N ATOM 317 NH2 ARG A 20 -27.921 -12.867 -12.208 1.00 0.00 N ATOM 0 H ARG A 20 -24.333 -17.720 -12.009 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.316 -18.081 -9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.420 -18.669 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.741 -18.701 -9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.459 -16.554 -10.181 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.820 -16.234 -9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -25.034 -16.095 -11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.605 -16.587 -12.577 1.00 0.00 H new ATOM 0 HE ARG A 20 -25.830 -13.934 -11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -28.624 -15.940 -12.382 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -29.635 -14.520 -12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -27.158 -12.222 -12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -28.840 -12.505 -12.464 1.00 0.00 H new ATOM 331 N GLU A 21 -24.103 -20.844 -10.904 1.00 0.00 N ATOM 332 CA GLU A 21 -23.863 -22.279 -10.768 1.00 0.00 C ATOM 333 C GLU A 21 -22.451 -22.520 -10.205 1.00 0.00 C ATOM 334 O GLU A 21 -22.246 -23.378 -9.343 1.00 0.00 O ATOM 335 CB GLU A 21 -24.025 -22.964 -12.130 1.00 0.00 C ATOM 336 CG GLU A 21 -25.398 -22.747 -12.791 1.00 0.00 C ATOM 337 CD GLU A 21 -26.548 -23.365 -11.971 1.00 0.00 C ATOM 338 OE1 GLU A 21 -26.846 -24.572 -12.148 1.00 0.00 O ATOM 339 OE2 GLU A 21 -27.179 -22.646 -11.158 1.00 0.00 O ATOM 0 H GLU A 21 -23.939 -20.486 -11.845 1.00 0.00 H new ATOM 0 HA GLU A 21 -24.590 -22.704 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.250 -22.597 -12.802 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.860 -24.034 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.575 -21.678 -12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.391 -23.184 -13.789 1.00 0.00 H new ATOM 346 N PHE A 22 -21.475 -21.708 -10.627 1.00 0.00 N ATOM 347 CA PHE A 22 -20.100 -21.718 -10.117 1.00 0.00 C ATOM 348 C PHE A 22 -20.062 -21.359 -8.622 1.00 0.00 C ATOM 349 O PHE A 22 -19.228 -21.891 -7.886 1.00 0.00 O ATOM 350 CB PHE A 22 -19.273 -20.745 -10.961 1.00 0.00 C ATOM 351 CG PHE A 22 -17.782 -20.698 -10.695 1.00 0.00 C ATOM 352 CD1 PHE A 22 -17.258 -19.776 -9.767 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.909 -21.522 -11.430 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.868 -19.691 -9.566 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.520 -21.440 -11.224 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.999 -20.523 -10.292 1.00 0.00 C ATOM 0 H PHE A 22 -21.624 -21.007 -11.353 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.675 -22.718 -10.200 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.422 -20.997 -12.011 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.675 -19.743 -10.813 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.924 -19.134 -9.210 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.306 -22.218 -12.153 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.468 -18.985 -8.853 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.853 -22.081 -11.781 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.932 -20.459 -10.135 1.00 0.00 H new ATOM 366 N GLN A 23 -21.006 -20.532 -8.140 1.00 0.00 N ATOM 367 CA GLN A 23 -21.144 -20.193 -6.711 1.00 0.00 C ATOM 368 C GLN A 23 -21.392 -21.432 -5.821 1.00 0.00 C ATOM 369 O GLN A 23 -21.119 -21.390 -4.619 1.00 0.00 O ATOM 370 CB GLN A 23 -22.285 -19.185 -6.469 1.00 0.00 C ATOM 371 CG GLN A 23 -22.010 -17.746 -6.925 1.00 0.00 C ATOM 372 CD GLN A 23 -23.110 -16.783 -6.476 1.00 0.00 C ATOM 373 OE1 GLN A 23 -24.277 -16.914 -6.826 1.00 0.00 O ATOM 374 NE2 GLN A 23 -22.797 -15.785 -5.677 1.00 0.00 N ATOM 0 H GLN A 23 -21.699 -20.077 -8.734 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.190 -19.746 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -23.177 -19.545 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -22.513 -19.171 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.052 -17.415 -6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.926 -17.720 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.831 -15.658 -5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.520 -15.139 -5.361 1.00 0.00 H new ATOM 383 N ARG A 24 -21.883 -22.537 -6.406 1.00 0.00 N ATOM 384 CA ARG A 24 -22.149 -23.829 -5.743 1.00 0.00 C ATOM 385 C ARG A 24 -21.300 -24.966 -6.342 1.00 0.00 C ATOM 386 O ARG A 24 -21.574 -26.142 -6.100 1.00 0.00 O ATOM 387 CB ARG A 24 -23.663 -24.151 -5.769 1.00 0.00 C ATOM 388 CG ARG A 24 -24.542 -23.170 -4.971 1.00 0.00 C ATOM 389 CD ARG A 24 -25.089 -22.013 -5.818 1.00 0.00 C ATOM 390 NE ARG A 24 -25.778 -21.016 -4.974 1.00 0.00 N ATOM 391 CZ ARG A 24 -26.019 -19.756 -5.289 1.00 0.00 C ATOM 392 NH1 ARG A 24 -26.480 -18.925 -4.400 1.00 0.00 N ATOM 393 NH2 ARG A 24 -25.793 -19.287 -6.479 1.00 0.00 N ATOM 0 H ARG A 24 -22.117 -22.557 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.848 -23.742 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -24.001 -24.161 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -23.814 -25.156 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -25.377 -23.716 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -23.960 -22.762 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -24.271 -21.535 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -25.780 -22.401 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.099 -21.331 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.659 -19.244 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.662 -17.954 -4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -25.418 -19.897 -7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -25.991 -18.308 -6.688 1.00 0.00 H new ATOM 407 N GLY A 25 -20.266 -24.625 -7.122 1.00 0.00 N ATOM 408 CA GLY A 25 -19.351 -25.569 -7.776 1.00 0.00 C ATOM 409 C GLY A 25 -20.041 -26.561 -8.721 1.00 0.00 C ATOM 410 O GLY A 25 -19.649 -27.729 -8.769 1.00 0.00 O ATOM 0 H GLY A 25 -20.036 -23.652 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.607 -25.006 -8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.814 -26.128 -7.009 1.00 0.00 H new ATOM 414 N THR A 26 -21.084 -26.120 -9.438 1.00 0.00 N ATOM 415 CA THR A 26 -21.903 -26.974 -10.321 1.00 0.00 C ATOM 416 C THR A 26 -22.082 -26.435 -11.755 1.00 0.00 C ATOM 417 O THR A 26 -22.948 -26.921 -12.490 1.00 0.00 O ATOM 418 CB THR A 26 -23.223 -27.336 -9.608 1.00 0.00 C ATOM 419 OG1 THR A 26 -23.896 -28.400 -10.249 1.00 0.00 O ATOM 420 CG2 THR A 26 -24.197 -26.169 -9.448 1.00 0.00 C ATOM 0 H THR A 26 -21.390 -25.147 -9.423 1.00 0.00 H new ATOM 0 HA THR A 26 -21.349 -27.896 -10.494 1.00 0.00 H new ATOM 0 HB THR A 26 -22.905 -27.637 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 26 -23.826 -28.293 -11.221 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.096 -26.513 -8.937 1.00 0.00 H new ATOM 0 HG22 THR A 26 -23.726 -25.380 -8.862 1.00 0.00 H new ATOM 0 HG23 THR A 26 -24.464 -25.781 -10.431 1.00 0.00 H new ATOM 428 N CYS A 27 -21.249 -25.474 -12.190 1.00 0.00 N ATOM 429 CA CYS A 27 -21.239 -24.998 -13.582 1.00 0.00 C ATOM 430 C CYS A 27 -20.714 -26.113 -14.536 1.00 0.00 C ATOM 431 O CYS A 27 -20.226 -27.162 -14.090 1.00 0.00 O ATOM 432 CB CYS A 27 -20.454 -23.673 -13.684 1.00 0.00 C ATOM 433 SG CYS A 27 -20.825 -22.842 -15.270 1.00 0.00 S ATOM 0 H CYS A 27 -20.568 -25.008 -11.590 1.00 0.00 H new ATOM 0 HA CYS A 27 -22.256 -24.779 -13.907 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.718 -23.020 -12.852 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.384 -23.868 -13.609 1.00 0.00 H new ATOM 0 HG CYS A 27 -21.447 -21.724 -15.039 1.00 0.00 H new ATOM 438 N SER A 28 -20.799 -25.889 -15.850 1.00 0.00 N ATOM 439 CA SER A 28 -20.431 -26.855 -16.908 1.00 0.00 C ATOM 440 C SER A 28 -19.577 -26.269 -18.048 1.00 0.00 C ATOM 441 O SER A 28 -19.413 -26.915 -19.088 1.00 0.00 O ATOM 442 CB SER A 28 -21.705 -27.491 -17.494 1.00 0.00 C ATOM 443 OG SER A 28 -22.475 -28.154 -16.500 1.00 0.00 O ATOM 0 H SER A 28 -21.136 -25.003 -16.227 1.00 0.00 H new ATOM 0 HA SER A 28 -19.804 -27.601 -16.420 1.00 0.00 H new ATOM 0 HB2 SER A 28 -22.311 -26.718 -17.967 1.00 0.00 H new ATOM 0 HB3 SER A 28 -21.430 -28.202 -18.273 1.00 0.00 H new ATOM 0 HG SER A 28 -23.275 -28.542 -16.911 1.00 0.00 H new ATOM 449 N ARG A 29 -19.040 -25.052 -17.889 1.00 0.00 N ATOM 450 CA ARG A 29 -18.255 -24.327 -18.907 1.00 0.00 C ATOM 451 C ARG A 29 -16.981 -23.689 -18.328 1.00 0.00 C ATOM 452 O ARG A 29 -17.009 -23.218 -17.188 1.00 0.00 O ATOM 453 CB ARG A 29 -19.139 -23.193 -19.445 1.00 0.00 C ATOM 454 CG ARG A 29 -20.319 -23.679 -20.305 1.00 0.00 C ATOM 455 CD ARG A 29 -21.288 -22.529 -20.597 1.00 0.00 C ATOM 456 NE ARG A 29 -21.893 -22.016 -19.350 1.00 0.00 N ATOM 457 CZ ARG A 29 -22.911 -22.502 -18.669 1.00 0.00 C ATOM 458 NH1 ARG A 29 -23.695 -23.438 -19.132 1.00 0.00 N ATOM 459 NH2 ARG A 29 -23.141 -22.038 -17.483 1.00 0.00 N ATOM 0 H ARG A 29 -19.141 -24.525 -17.022 1.00 0.00 H new ATOM 0 HA ARG A 29 -17.955 -25.039 -19.676 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -19.527 -22.618 -18.604 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -18.524 -22.516 -20.038 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -19.946 -24.093 -21.242 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -20.845 -24.482 -19.789 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -20.759 -21.724 -21.107 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -22.072 -22.872 -21.272 1.00 0.00 H new ATOM 0 HE ARG A 29 -21.466 -21.174 -18.965 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -23.532 -23.827 -20.061 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.470 -23.781 -18.565 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -22.540 -21.311 -17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -23.923 -22.399 -16.937 1.00 0.00 H new ATOM 473 N PRO A 30 -15.878 -23.609 -19.098 1.00 0.00 N ATOM 474 CA PRO A 30 -14.686 -22.875 -18.676 1.00 0.00 C ATOM 475 C PRO A 30 -14.981 -21.362 -18.651 1.00 0.00 C ATOM 476 O PRO A 30 -15.970 -20.891 -19.223 1.00 0.00 O ATOM 477 CB PRO A 30 -13.610 -23.229 -19.710 1.00 0.00 C ATOM 478 CG PRO A 30 -14.419 -23.492 -20.979 1.00 0.00 C ATOM 479 CD PRO A 30 -15.693 -24.143 -20.442 1.00 0.00 C ATOM 0 HA PRO A 30 -14.362 -23.139 -17.669 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.899 -22.414 -19.847 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.036 -24.105 -19.410 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.633 -22.570 -21.520 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.888 -24.150 -21.668 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.548 -23.910 -21.076 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.598 -25.229 -20.421 1.00 0.00 H new ATOM 487 N ASP A 31 -14.102 -20.575 -18.023 1.00 0.00 N ATOM 488 CA ASP A 31 -14.219 -19.107 -17.954 1.00 0.00 C ATOM 489 C ASP A 31 -14.358 -18.430 -19.333 1.00 0.00 C ATOM 490 O ASP A 31 -14.976 -17.373 -19.451 1.00 0.00 O ATOM 491 CB ASP A 31 -13.023 -18.518 -17.191 1.00 0.00 C ATOM 492 CG ASP A 31 -11.682 -18.698 -17.926 1.00 0.00 C ATOM 493 OD1 ASP A 31 -11.189 -17.719 -18.532 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.117 -19.817 -17.883 1.00 0.00 O ATOM 0 H ASP A 31 -13.279 -20.939 -17.542 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.145 -18.898 -17.418 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.197 -17.455 -17.022 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.958 -18.990 -16.211 1.00 0.00 H new ATOM 499 N THR A 32 -13.814 -19.056 -20.379 1.00 0.00 N ATOM 500 CA THR A 32 -13.864 -18.591 -21.772 1.00 0.00 C ATOM 501 C THR A 32 -15.205 -18.819 -22.483 1.00 0.00 C ATOM 502 O THR A 32 -15.400 -18.271 -23.568 1.00 0.00 O ATOM 503 CB THR A 32 -12.764 -19.266 -22.612 1.00 0.00 C ATOM 504 OG1 THR A 32 -12.709 -20.653 -22.338 1.00 0.00 O ATOM 505 CG2 THR A 32 -11.388 -18.672 -22.318 1.00 0.00 C ATOM 0 H THR A 32 -13.306 -19.935 -20.278 1.00 0.00 H new ATOM 0 HA THR A 32 -13.715 -17.514 -21.700 1.00 0.00 H new ATOM 0 HB THR A 32 -13.017 -19.094 -23.658 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.006 -21.066 -22.882 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.637 -19.173 -22.929 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.394 -17.607 -22.551 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.149 -18.811 -21.264 1.00 0.00 H new ATOM 513 N GLU A 33 -16.126 -19.608 -21.918 1.00 0.00 N ATOM 514 CA GLU A 33 -17.401 -19.998 -22.552 1.00 0.00 C ATOM 515 C GLU A 33 -18.679 -19.577 -21.812 1.00 0.00 C ATOM 516 O GLU A 33 -19.725 -19.441 -22.454 1.00 0.00 O ATOM 517 CB GLU A 33 -17.420 -21.535 -22.655 1.00 0.00 C ATOM 518 CG GLU A 33 -16.598 -22.108 -23.814 1.00 0.00 C ATOM 519 CD GLU A 33 -17.224 -21.828 -25.195 1.00 0.00 C ATOM 520 OE1 GLU A 33 -18.385 -22.234 -25.440 1.00 0.00 O ATOM 521 OE2 GLU A 33 -16.564 -21.195 -26.056 1.00 0.00 O ATOM 0 H GLU A 33 -16.008 -20.005 -20.986 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.423 -19.477 -23.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.046 -21.953 -21.720 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -18.453 -21.866 -22.761 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.594 -21.684 -23.784 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.494 -23.185 -23.680 1.00 0.00 H new ATOM 528 N CYS A 34 -18.635 -19.416 -20.486 1.00 0.00 N ATOM 529 CA CYS A 34 -19.827 -19.121 -19.692 1.00 0.00 C ATOM 530 C CYS A 34 -20.461 -17.728 -19.922 1.00 0.00 C ATOM 531 O CYS A 34 -19.860 -16.802 -20.481 1.00 0.00 O ATOM 532 CB CYS A 34 -19.527 -19.433 -18.222 1.00 0.00 C ATOM 533 SG CYS A 34 -21.071 -19.835 -17.349 1.00 0.00 S ATOM 0 H CYS A 34 -17.778 -19.486 -19.938 1.00 0.00 H new ATOM 0 HA CYS A 34 -20.623 -19.776 -20.046 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -18.831 -20.269 -18.153 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.044 -18.577 -17.750 1.00 0.00 H new ATOM 0 HG CYS A 34 -20.894 -20.899 -16.623 1.00 0.00 H new ATOM 538 N LYS A 35 -21.711 -17.607 -19.461 1.00 0.00 N ATOM 539 CA LYS A 35 -22.588 -16.422 -19.521 1.00 0.00 C ATOM 540 C LYS A 35 -22.243 -15.373 -18.446 1.00 0.00 C ATOM 541 O LYS A 35 -22.719 -14.237 -18.506 1.00 0.00 O ATOM 542 CB LYS A 35 -24.054 -16.905 -19.395 1.00 0.00 C ATOM 543 CG LYS A 35 -25.038 -16.291 -20.412 1.00 0.00 C ATOM 544 CD LYS A 35 -25.199 -14.765 -20.354 1.00 0.00 C ATOM 545 CE LYS A 35 -25.759 -14.291 -19.004 1.00 0.00 C ATOM 546 NZ LYS A 35 -25.265 -12.935 -18.665 1.00 0.00 N ATOM 0 H LYS A 35 -22.175 -18.391 -19.001 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.439 -15.916 -20.475 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.073 -17.989 -19.504 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -24.409 -16.680 -18.389 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -24.711 -16.564 -21.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -26.017 -16.746 -20.261 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -24.233 -14.293 -20.531 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -25.863 -14.441 -21.155 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -26.848 -14.285 -19.041 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -25.470 -14.992 -18.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -25.473 -12.729 -17.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -24.238 -12.891 -18.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -25.738 -12.232 -19.269 1.00 0.00 H new ATOM 560 N PHE A 36 -21.410 -15.738 -17.476 1.00 0.00 N ATOM 561 CA PHE A 36 -20.948 -14.909 -16.361 1.00 0.00 C ATOM 562 C PHE A 36 -19.471 -15.226 -16.039 1.00 0.00 C ATOM 563 O PHE A 36 -18.883 -16.142 -16.620 1.00 0.00 O ATOM 564 CB PHE A 36 -21.853 -15.174 -15.151 1.00 0.00 C ATOM 565 CG PHE A 36 -23.304 -14.750 -15.295 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.322 -15.716 -15.411 1.00 0.00 C ATOM 567 CD2 PHE A 36 -23.643 -13.384 -15.254 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.670 -15.319 -15.473 1.00 0.00 C ATOM 569 CE2 PHE A 36 -24.992 -12.987 -15.299 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.006 -13.955 -15.407 1.00 0.00 C ATOM 0 H PHE A 36 -21.014 -16.677 -17.443 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.005 -13.853 -16.625 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.828 -16.241 -14.931 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.430 -14.661 -14.287 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -24.067 -16.765 -15.452 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -22.865 -12.638 -15.188 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -26.447 -16.062 -15.571 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -25.249 -11.939 -15.251 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.042 -13.651 -15.439 1.00 0.00 H new ATOM 580 N ALA A 37 -18.840 -14.463 -15.142 1.00 0.00 N ATOM 581 CA ALA A 37 -17.431 -14.653 -14.805 1.00 0.00 C ATOM 582 C ALA A 37 -17.163 -15.818 -13.823 1.00 0.00 C ATOM 583 O ALA A 37 -17.993 -16.140 -12.968 1.00 0.00 O ATOM 584 CB ALA A 37 -16.925 -13.333 -14.233 1.00 0.00 C ATOM 0 H ALA A 37 -19.290 -13.702 -14.633 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.896 -14.935 -15.712 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.873 -13.431 -13.967 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.039 -12.546 -14.978 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.501 -13.077 -13.344 1.00 0.00 H new ATOM 590 N HIS A 38 -15.959 -16.399 -13.913 1.00 0.00 N ATOM 591 CA HIS A 38 -15.459 -17.495 -13.068 1.00 0.00 C ATOM 592 C HIS A 38 -14.097 -17.093 -12.445 1.00 0.00 C ATOM 593 O HIS A 38 -13.053 -17.324 -13.066 1.00 0.00 O ATOM 594 CB HIS A 38 -15.326 -18.796 -13.892 1.00 0.00 C ATOM 595 CG HIS A 38 -16.606 -19.423 -14.397 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.709 -20.332 -15.430 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.875 -19.226 -13.922 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.009 -20.645 -15.586 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.762 -19.980 -14.699 1.00 0.00 N ATOM 0 H HIS A 38 -15.274 -16.105 -14.609 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.171 -17.680 -12.264 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.688 -18.589 -14.751 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.806 -19.533 -13.280 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -15.934 -20.703 -15.980 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.146 -18.595 -13.088 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.392 -21.336 -16.323 1.00 0.00 H new ATOM 607 N PRO A 39 -14.068 -16.454 -11.255 1.00 0.00 N ATOM 608 CA PRO A 39 -12.825 -15.990 -10.625 1.00 0.00 C ATOM 609 C PRO A 39 -11.841 -17.111 -10.244 1.00 0.00 C ATOM 610 O PRO A 39 -12.236 -18.214 -9.860 1.00 0.00 O ATOM 611 CB PRO A 39 -13.257 -15.204 -9.380 1.00 0.00 C ATOM 612 CG PRO A 39 -14.657 -15.726 -9.068 1.00 0.00 C ATOM 613 CD PRO A 39 -15.219 -16.091 -10.439 1.00 0.00 C ATOM 0 HA PRO A 39 -12.269 -15.385 -11.341 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.575 -15.373 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.267 -14.131 -9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.624 -16.591 -8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.266 -14.969 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.923 -16.920 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.759 -15.252 -10.876 1.00 0.00 H new ATOM 621 N SER A 40 -10.544 -16.792 -10.307 1.00 0.00 N ATOM 622 CA SER A 40 -9.430 -17.668 -9.913 1.00 0.00 C ATOM 623 C SER A 40 -9.095 -17.547 -8.415 1.00 0.00 C ATOM 624 O SER A 40 -9.753 -16.826 -7.657 1.00 0.00 O ATOM 625 CB SER A 40 -8.176 -17.292 -10.720 1.00 0.00 C ATOM 626 OG SER A 40 -7.656 -16.059 -10.244 1.00 0.00 O ATOM 0 H SER A 40 -10.227 -15.884 -10.646 1.00 0.00 H new ATOM 0 HA SER A 40 -9.738 -18.694 -10.114 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.424 -18.075 -10.628 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.423 -17.210 -11.778 1.00 0.00 H new ATOM 0 HG SER A 40 -8.155 -15.317 -10.645 1.00 0.00 H new ATOM 632 N LYS A 41 -8.006 -18.208 -7.999 1.00 0.00 N ATOM 633 CA LYS A 41 -7.421 -18.137 -6.650 1.00 0.00 C ATOM 634 C LYS A 41 -6.924 -16.727 -6.269 1.00 0.00 C ATOM 635 O LYS A 41 -6.761 -16.455 -5.078 1.00 0.00 O ATOM 636 CB LYS A 41 -6.264 -19.149 -6.566 1.00 0.00 C ATOM 637 CG LYS A 41 -6.760 -20.605 -6.578 1.00 0.00 C ATOM 638 CD LYS A 41 -5.583 -21.586 -6.457 1.00 0.00 C ATOM 639 CE LYS A 41 -6.026 -23.055 -6.542 1.00 0.00 C ATOM 640 NZ LYS A 41 -6.812 -23.484 -5.353 1.00 0.00 N ATOM 0 H LYS A 41 -7.487 -18.832 -8.617 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.207 -18.379 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.585 -18.992 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.693 -18.970 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.456 -20.763 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.307 -20.799 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.862 -21.382 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.072 -21.419 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.626 -23.199 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.146 -23.691 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.086 -24.481 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.233 -23.374 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.666 -22.897 -5.271 1.00 0.00 H new ATOM 654 N SER A 42 -6.689 -15.836 -7.243 1.00 0.00 N ATOM 655 CA SER A 42 -6.212 -14.455 -7.032 1.00 0.00 C ATOM 656 C SER A 42 -7.264 -13.373 -7.312 1.00 0.00 C ATOM 657 O SER A 42 -7.160 -12.277 -6.757 1.00 0.00 O ATOM 658 CB SER A 42 -4.948 -14.185 -7.865 1.00 0.00 C ATOM 659 OG SER A 42 -5.161 -14.432 -9.247 1.00 0.00 O ATOM 0 H SER A 42 -6.828 -16.059 -8.228 1.00 0.00 H new ATOM 0 HA SER A 42 -5.983 -14.388 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.636 -13.150 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.135 -14.815 -7.505 1.00 0.00 H new ATOM 0 HG SER A 42 -5.306 -13.582 -9.713 1.00 0.00 H new ATOM 665 N CYS A 43 -8.280 -13.645 -8.140 1.00 0.00 N ATOM 666 CA CYS A 43 -9.338 -12.684 -8.471 1.00 0.00 C ATOM 667 C CYS A 43 -10.145 -12.233 -7.239 1.00 0.00 C ATOM 668 O CYS A 43 -10.659 -13.059 -6.480 1.00 0.00 O ATOM 669 CB CYS A 43 -10.267 -13.281 -9.531 1.00 0.00 C ATOM 670 SG CYS A 43 -9.349 -13.551 -11.075 1.00 0.00 S ATOM 0 H CYS A 43 -8.391 -14.547 -8.603 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.852 -11.792 -8.866 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.682 -14.224 -9.174 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.108 -12.611 -9.710 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.144 -14.060 -11.969 1.00 0.00 H new ATOM 676 N GLN A 44 -10.292 -10.918 -7.061 1.00 0.00 N ATOM 677 CA GLN A 44 -11.068 -10.317 -5.975 1.00 0.00 C ATOM 678 C GLN A 44 -12.566 -10.312 -6.325 1.00 0.00 C ATOM 679 O GLN A 44 -12.955 -9.941 -7.435 1.00 0.00 O ATOM 680 CB GLN A 44 -10.537 -8.895 -5.717 1.00 0.00 C ATOM 681 CG GLN A 44 -11.207 -8.174 -4.533 1.00 0.00 C ATOM 682 CD GLN A 44 -11.074 -8.928 -3.209 1.00 0.00 C ATOM 683 OE1 GLN A 44 -9.983 -9.187 -2.718 1.00 0.00 O ATOM 684 NE2 GLN A 44 -12.161 -9.331 -2.581 1.00 0.00 N ATOM 0 H GLN A 44 -9.866 -10.228 -7.680 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.956 -10.904 -5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.464 -8.948 -5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.678 -8.298 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.766 -7.183 -4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.264 -8.030 -4.756 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.081 -9.127 -2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.082 -9.847 -1.705 1.00 0.00 H new ATOM 693 N VAL A 45 -13.403 -10.699 -5.360 1.00 0.00 N ATOM 694 CA VAL A 45 -14.872 -10.775 -5.474 1.00 0.00 C ATOM 695 C VAL A 45 -15.509 -9.800 -4.476 1.00 0.00 C ATOM 696 O VAL A 45 -14.989 -9.608 -3.375 1.00 0.00 O ATOM 697 CB VAL A 45 -15.368 -12.213 -5.191 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.849 -12.408 -5.546 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.573 -13.305 -5.924 1.00 0.00 C ATOM 0 H VAL A 45 -13.068 -10.981 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.162 -10.505 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.215 -12.324 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.143 -13.434 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.458 -11.722 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.999 -12.206 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.982 -14.284 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.644 -13.147 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.527 -13.260 -5.619 1.00 0.00 H new ATOM 709 N GLU A 46 -16.631 -9.184 -4.849 1.00 0.00 N ATOM 710 CA GLU A 46 -17.395 -8.227 -4.036 1.00 0.00 C ATOM 711 C GLU A 46 -18.903 -8.361 -4.324 1.00 0.00 C ATOM 712 O GLU A 46 -19.331 -8.242 -5.472 1.00 0.00 O ATOM 713 CB GLU A 46 -16.949 -6.782 -4.341 1.00 0.00 C ATOM 714 CG GLU A 46 -15.490 -6.480 -3.966 1.00 0.00 C ATOM 715 CD GLU A 46 -15.159 -4.992 -4.169 1.00 0.00 C ATOM 716 OE1 GLU A 46 -14.951 -4.259 -3.173 1.00 0.00 O ATOM 717 OE2 GLU A 46 -15.093 -4.524 -5.328 1.00 0.00 O ATOM 0 H GLU A 46 -17.053 -9.342 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.205 -8.449 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.086 -6.588 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.600 -6.092 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.315 -6.755 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.822 -7.090 -4.574 1.00 0.00 H new ATOM 724 N ASN A 47 -19.717 -8.594 -3.285 1.00 0.00 N ATOM 725 CA ASN A 47 -21.188 -8.715 -3.332 1.00 0.00 C ATOM 726 C ASN A 47 -21.774 -9.561 -4.497 1.00 0.00 C ATOM 727 O ASN A 47 -22.818 -9.222 -5.062 1.00 0.00 O ATOM 728 CB ASN A 47 -21.777 -7.292 -3.266 1.00 0.00 C ATOM 729 CG ASN A 47 -23.250 -7.255 -2.875 1.00 0.00 C ATOM 730 OD1 ASN A 47 -23.746 -8.069 -2.106 1.00 0.00 O ATOM 731 ND2 ASN A 47 -23.998 -6.296 -3.374 1.00 0.00 N ATOM 0 H ASN A 47 -19.353 -8.710 -2.339 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.492 -9.305 -2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.205 -6.705 -2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.656 -6.813 -4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -24.984 -6.234 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.592 -5.614 -4.015 1.00 0.00 H new ATOM 738 N GLY A 48 -21.106 -10.655 -4.884 1.00 0.00 N ATOM 739 CA GLY A 48 -21.560 -11.534 -5.977 1.00 0.00 C ATOM 740 C GLY A 48 -21.106 -11.106 -7.382 1.00 0.00 C ATOM 741 O GLY A 48 -21.666 -11.551 -8.388 1.00 0.00 O ATOM 0 H GLY A 48 -20.234 -10.959 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.198 -12.544 -5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.649 -11.578 -5.960 1.00 0.00 H new ATOM 745 N ARG A 49 -20.098 -10.234 -7.466 1.00 0.00 N ATOM 746 CA ARG A 49 -19.518 -9.689 -8.701 1.00 0.00 C ATOM 747 C ARG A 49 -17.992 -9.635 -8.607 1.00 0.00 C ATOM 748 O ARG A 49 -17.413 -9.742 -7.527 1.00 0.00 O ATOM 749 CB ARG A 49 -20.116 -8.300 -9.018 1.00 0.00 C ATOM 750 CG ARG A 49 -21.654 -8.277 -9.007 1.00 0.00 C ATOM 751 CD ARG A 49 -22.217 -6.976 -9.584 1.00 0.00 C ATOM 752 NE ARG A 49 -23.673 -7.089 -9.794 1.00 0.00 N ATOM 753 CZ ARG A 49 -24.569 -6.125 -9.869 1.00 0.00 C ATOM 754 NH1 ARG A 49 -25.798 -6.450 -10.131 1.00 0.00 N ATOM 755 NH2 ARG A 49 -24.277 -4.866 -9.700 1.00 0.00 N ATOM 0 H ARG A 49 -19.639 -9.869 -6.632 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.773 -10.355 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.745 -7.579 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.763 -7.976 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.032 -9.122 -9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.010 -8.403 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.005 -6.149 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.724 -6.748 -10.529 1.00 0.00 H new ATOM 0 HE ARG A 49 -24.034 -8.038 -9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -26.048 -7.429 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -26.514 -5.727 -10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.316 -4.588 -9.499 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.009 -4.159 -9.769 1.00 0.00 H new ATOM 769 N VAL A 50 -17.342 -9.484 -9.753 1.00 0.00 N ATOM 770 CA VAL A 50 -15.886 -9.445 -9.945 1.00 0.00 C ATOM 771 C VAL A 50 -15.540 -8.369 -10.976 1.00 0.00 C ATOM 772 O VAL A 50 -16.282 -8.160 -11.932 1.00 0.00 O ATOM 773 CB VAL A 50 -15.361 -10.808 -10.436 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.330 -11.832 -9.305 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.148 -11.427 -11.601 1.00 0.00 C ATOM 0 H VAL A 50 -17.844 -9.378 -10.635 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.416 -9.215 -8.989 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.359 -10.580 -10.799 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.955 -12.782 -9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.676 -11.476 -8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.337 -11.971 -8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.702 -12.383 -11.874 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.183 -11.583 -11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.118 -10.755 -12.458 1.00 0.00 H new ATOM 785 N ILE A 51 -14.420 -7.668 -10.807 1.00 0.00 N ATOM 786 CA ILE A 51 -14.016 -6.580 -11.715 1.00 0.00 C ATOM 787 C ILE A 51 -13.071 -7.121 -12.801 1.00 0.00 C ATOM 788 O ILE A 51 -12.128 -7.856 -12.501 1.00 0.00 O ATOM 789 CB ILE A 51 -13.400 -5.420 -10.896 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.454 -4.888 -9.899 1.00 0.00 C ATOM 791 CG2 ILE A 51 -12.905 -4.292 -11.821 1.00 0.00 C ATOM 792 CD1 ILE A 51 -14.020 -3.720 -9.010 1.00 0.00 C ATOM 0 H ILE A 51 -13.765 -7.832 -10.042 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.887 -6.178 -12.233 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.537 -5.792 -10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.334 -4.579 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.762 -5.712 -9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.477 -3.490 -11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.145 -4.683 -12.498 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.742 -3.903 -12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.843 -3.436 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.163 -4.021 -8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.744 -2.870 -9.635 1.00 0.00 H new ATOM 804 N ALA A 52 -13.319 -6.774 -14.066 1.00 0.00 N ATOM 805 CA ALA A 52 -12.493 -7.178 -15.207 1.00 0.00 C ATOM 806 C ALA A 52 -11.154 -6.403 -15.272 1.00 0.00 C ATOM 807 O ALA A 52 -11.084 -5.239 -14.867 1.00 0.00 O ATOM 808 CB ALA A 52 -13.315 -7.000 -16.490 1.00 0.00 C ATOM 0 H ALA A 52 -14.115 -6.193 -14.331 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.217 -8.226 -15.090 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.715 -7.296 -17.350 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.208 -7.622 -16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.606 -5.955 -16.593 1.00 0.00 H new ATOM 814 N CYS A 53 -10.097 -7.040 -15.794 1.00 0.00 N ATOM 815 CA CYS A 53 -8.756 -6.463 -15.945 1.00 0.00 C ATOM 816 C CYS A 53 -8.775 -5.360 -17.024 1.00 0.00 C ATOM 817 O CYS A 53 -8.700 -5.629 -18.230 1.00 0.00 O ATOM 818 CB CYS A 53 -7.724 -7.583 -16.231 1.00 0.00 C ATOM 819 SG CYS A 53 -5.995 -7.058 -15.905 1.00 0.00 S ATOM 0 H CYS A 53 -10.154 -8.000 -16.133 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.446 -5.985 -15.015 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -7.957 -8.452 -15.615 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.814 -7.896 -17.271 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.326 -8.054 -15.405 1.00 0.00 H new ATOM 824 N PHE A 54 -8.921 -4.102 -16.591 1.00 0.00 N ATOM 825 CA PHE A 54 -8.946 -2.938 -17.483 1.00 0.00 C ATOM 826 C PHE A 54 -7.665 -2.845 -18.317 1.00 0.00 C ATOM 827 O PHE A 54 -7.723 -2.496 -19.494 1.00 0.00 O ATOM 828 CB PHE A 54 -9.172 -1.644 -16.686 1.00 0.00 C ATOM 829 CG PHE A 54 -8.261 -1.447 -15.489 1.00 0.00 C ATOM 830 CD1 PHE A 54 -6.974 -0.904 -15.658 1.00 0.00 C ATOM 831 CD2 PHE A 54 -8.694 -1.834 -14.206 1.00 0.00 C ATOM 832 CE1 PHE A 54 -6.106 -0.787 -14.559 1.00 0.00 C ATOM 833 CE2 PHE A 54 -7.835 -1.696 -13.102 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.537 -1.180 -13.279 1.00 0.00 C ATOM 0 H PHE A 54 -9.026 -3.862 -15.605 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.781 -3.067 -18.171 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.046 -0.796 -17.360 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.206 -1.626 -16.341 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.652 -0.576 -16.635 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.687 -2.237 -14.070 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.109 -0.396 -14.697 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.171 -1.986 -12.117 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.873 -1.086 -12.433 1.00 0.00 H new ATOM 844 N ASP A 55 -6.514 -3.205 -17.744 1.00 0.00 N ATOM 845 CA ASP A 55 -5.233 -3.220 -18.449 1.00 0.00 C ATOM 846 C ASP A 55 -5.277 -4.148 -19.677 1.00 0.00 C ATOM 847 O ASP A 55 -4.693 -3.821 -20.710 1.00 0.00 O ATOM 848 CB ASP A 55 -4.102 -3.650 -17.502 1.00 0.00 C ATOM 849 CG ASP A 55 -3.768 -2.641 -16.401 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.502 -3.071 -15.253 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.694 -1.426 -16.708 1.00 0.00 O ATOM 0 H ASP A 55 -6.446 -3.497 -16.769 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.037 -2.206 -18.799 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.377 -4.596 -17.037 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.204 -3.834 -18.092 1.00 0.00 H new ATOM 856 N SER A 56 -5.984 -5.282 -19.611 1.00 0.00 N ATOM 857 CA SER A 56 -6.115 -6.210 -20.742 1.00 0.00 C ATOM 858 C SER A 56 -7.000 -5.624 -21.858 1.00 0.00 C ATOM 859 O SER A 56 -6.665 -5.745 -23.039 1.00 0.00 O ATOM 860 CB SER A 56 -6.605 -7.576 -20.243 1.00 0.00 C ATOM 861 OG SER A 56 -6.741 -8.488 -21.321 1.00 0.00 O ATOM 0 H SER A 56 -6.481 -5.583 -18.773 1.00 0.00 H new ATOM 0 HA SER A 56 -5.134 -6.359 -21.194 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.902 -7.974 -19.511 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.563 -7.460 -19.736 1.00 0.00 H new ATOM 0 HG SER A 56 -7.053 -9.353 -20.981 1.00 0.00 H new ATOM 867 N LEU A 57 -8.080 -4.907 -21.509 1.00 0.00 N ATOM 868 CA LEU A 57 -8.945 -4.211 -22.478 1.00 0.00 C ATOM 869 C LEU A 57 -8.240 -3.009 -23.135 1.00 0.00 C ATOM 870 O LEU A 57 -8.356 -2.810 -24.346 1.00 0.00 O ATOM 871 CB LEU A 57 -10.230 -3.726 -21.778 1.00 0.00 C ATOM 872 CG LEU A 57 -11.267 -4.816 -21.474 1.00 0.00 C ATOM 873 CD1 LEU A 57 -12.434 -4.204 -20.707 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.826 -5.494 -22.729 1.00 0.00 C ATOM 0 H LEU A 57 -8.380 -4.793 -20.541 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.187 -4.926 -23.265 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.952 -3.241 -20.842 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.699 -2.966 -22.403 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.750 -5.577 -20.889 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.172 -4.976 -20.490 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.071 -3.776 -19.773 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.895 -3.421 -21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.553 -6.253 -22.439 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.311 -4.749 -23.360 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.012 -5.963 -23.282 1.00 0.00 H new ATOM 886 N LYS A 58 -7.507 -2.208 -22.348 1.00 0.00 N ATOM 887 CA LYS A 58 -6.766 -1.015 -22.807 1.00 0.00 C ATOM 888 C LYS A 58 -5.466 -1.343 -23.565 1.00 0.00 C ATOM 889 O LYS A 58 -4.866 -0.442 -24.154 1.00 0.00 O ATOM 890 CB LYS A 58 -6.479 -0.094 -21.602 1.00 0.00 C ATOM 891 CG LYS A 58 -7.734 0.492 -20.920 1.00 0.00 C ATOM 892 CD LYS A 58 -8.632 1.389 -21.789 1.00 0.00 C ATOM 893 CE LYS A 58 -7.876 2.601 -22.352 1.00 0.00 C ATOM 894 NZ LYS A 58 -8.773 3.489 -23.139 1.00 0.00 N ATOM 0 H LYS A 58 -7.408 -2.373 -21.346 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.403 -0.504 -23.529 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.909 -0.655 -20.861 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.846 0.729 -21.934 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.337 -0.336 -20.547 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.413 1.069 -20.053 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.039 0.803 -22.613 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.478 1.735 -21.196 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.431 3.166 -21.533 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.057 2.258 -22.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.229 4.297 -23.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.178 2.956 -23.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.541 3.836 -22.529 1.00 0.00 H new ATOM 908 N GLY A 59 -5.026 -2.605 -23.564 1.00 0.00 N ATOM 909 CA GLY A 59 -3.808 -3.062 -24.253 1.00 0.00 C ATOM 910 C GLY A 59 -2.510 -2.734 -23.501 1.00 0.00 C ATOM 911 O GLY A 59 -1.503 -2.380 -24.122 1.00 0.00 O ATOM 0 H GLY A 59 -5.514 -3.355 -23.075 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.868 -4.140 -24.401 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.769 -2.606 -25.242 1.00 0.00 H new ATOM 915 N ARG A 60 -2.544 -2.821 -22.165 1.00 0.00 N ATOM 916 CA ARG A 60 -1.450 -2.498 -21.229 1.00 0.00 C ATOM 917 C ARG A 60 -0.997 -3.680 -20.354 1.00 0.00 C ATOM 918 O ARG A 60 0.135 -3.655 -19.867 1.00 0.00 O ATOM 919 CB ARG A 60 -1.916 -1.296 -20.377 1.00 0.00 C ATOM 920 CG ARG A 60 -0.806 -0.678 -19.508 1.00 0.00 C ATOM 921 CD ARG A 60 -1.197 0.707 -18.976 1.00 0.00 C ATOM 922 NE ARG A 60 -2.351 0.631 -18.064 1.00 0.00 N ATOM 923 CZ ARG A 60 -3.113 1.613 -17.631 1.00 0.00 C ATOM 924 NH1 ARG A 60 -2.928 2.860 -17.961 1.00 0.00 N ATOM 925 NH2 ARG A 60 -4.094 1.313 -16.837 1.00 0.00 N ATOM 0 H ARG A 60 -3.382 -3.136 -21.677 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.560 -2.249 -21.807 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.316 -0.528 -21.039 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.733 -1.617 -19.731 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.590 -1.341 -18.670 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.110 -0.596 -20.094 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.349 1.150 -18.454 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.436 1.365 -19.812 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.590 -0.301 -17.725 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.162 3.114 -18.584 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.549 3.582 -17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.254 0.342 -16.568 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.705 2.048 -16.482 1.00 0.00 H new ATOM 939 N CYS A 61 -1.839 -4.699 -20.145 1.00 0.00 N ATOM 940 CA CYS A 61 -1.511 -5.842 -19.285 1.00 0.00 C ATOM 941 C CYS A 61 -0.397 -6.747 -19.857 1.00 0.00 C ATOM 942 O CYS A 61 -0.336 -7.040 -21.057 1.00 0.00 O ATOM 943 CB CYS A 61 -2.784 -6.650 -18.959 1.00 0.00 C ATOM 944 SG CYS A 61 -2.601 -7.556 -17.383 1.00 0.00 S ATOM 0 H CYS A 61 -2.766 -4.754 -20.567 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.104 -5.432 -18.361 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.640 -5.978 -18.899 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.988 -7.354 -19.766 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.706 -7.472 -16.703 1.00 0.00 H new ATOM 1013 N CYS A 66 -3.006 -11.344 -11.847 1.00 0.00 N ATOM 1014 CA CYS A 66 -4.079 -10.353 -11.745 1.00 0.00 C ATOM 1015 C CYS A 66 -5.158 -10.713 -10.703 1.00 0.00 C ATOM 1016 O CYS A 66 -5.580 -11.868 -10.564 1.00 0.00 O ATOM 1017 CB CYS A 66 -4.765 -10.176 -13.118 1.00 0.00 C ATOM 1018 SG CYS A 66 -3.657 -9.624 -14.449 1.00 0.00 S ATOM 0 HA CYS A 66 -3.602 -9.429 -11.417 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.217 -11.124 -13.409 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.576 -9.455 -13.015 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.248 -9.777 -15.597 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.665 -9.675 -10.030 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.802 -9.756 -9.093 1.00 0.00 C ATOM 1025 C LYS A 67 -8.127 -9.447 -9.802 1.00 0.00 C ATOM 1026 O LYS A 67 -9.160 -9.273 -9.155 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.608 -8.798 -7.908 1.00 0.00 C ATOM 1028 CG LYS A 67 -5.212 -8.909 -7.285 1.00 0.00 C ATOM 1029 CD LYS A 67 -5.112 -8.172 -5.943 1.00 0.00 C ATOM 1030 CE LYS A 67 -5.261 -6.652 -6.103 1.00 0.00 C ATOM 1031 NZ LYS A 67 -5.101 -5.948 -4.803 1.00 0.00 N ATOM 0 H LYS A 67 -5.291 -8.730 -10.120 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.841 -10.778 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.772 -7.774 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.360 -9.009 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.965 -9.960 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.475 -8.501 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.884 -8.542 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.151 -8.394 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.517 -6.285 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.240 -6.424 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.208 -4.924 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.826 -6.281 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.157 -6.146 -4.415 1.00 0.00 H new ATOM 1045 N TYR A 68 -8.074 -9.352 -11.127 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.150 -8.944 -12.014 1.00 0.00 C ATOM 1047 C TYR A 68 -9.334 -9.944 -13.168 1.00 0.00 C ATOM 1048 O TYR A 68 -8.388 -10.607 -13.601 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.793 -7.541 -12.519 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.518 -6.523 -11.422 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -9.593 -5.841 -10.823 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -7.201 -6.286 -10.973 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -9.363 -4.924 -9.779 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -6.965 -5.369 -9.930 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.045 -4.688 -9.328 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.807 -3.816 -8.310 1.00 0.00 O ATOM 0 H TYR A 68 -7.221 -9.573 -11.640 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.105 -8.926 -11.489 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.913 -7.613 -13.159 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.610 -7.174 -13.140 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.601 -6.022 -11.166 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.373 -6.808 -11.430 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.192 -4.402 -9.324 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.956 -5.187 -9.590 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.844 -3.778 -8.130 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.571 -10.076 -13.648 1.00 0.00 N ATOM 1067 CA LEU A 69 -10.957 -11.038 -14.688 1.00 0.00 C ATOM 1068 C LEU A 69 -10.490 -10.623 -16.087 1.00 0.00 C ATOM 1069 O LEU A 69 -10.955 -9.617 -16.623 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.492 -11.213 -14.673 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.039 -12.268 -13.699 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.742 -13.690 -14.178 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.495 -12.114 -12.283 1.00 0.00 C ATOM 0 H LEU A 69 -11.351 -9.507 -13.320 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.462 -11.982 -14.461 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.945 -10.252 -14.429 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.818 -11.473 -15.680 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.116 -12.099 -13.677 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.145 -14.407 -13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.205 -13.850 -15.152 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.664 -13.828 -14.262 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.919 -12.888 -11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.409 -12.210 -12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.767 -11.133 -11.893 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.622 -11.417 -16.716 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.220 -11.169 -18.106 1.00 0.00 C ATOM 1087 C HIS A 70 -10.435 -11.412 -19.027 1.00 0.00 C ATOM 1088 O HIS A 70 -10.974 -12.523 -19.001 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.033 -12.056 -18.508 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.708 -11.362 -18.342 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.700 -11.303 -19.281 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.338 -10.553 -17.300 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.761 -10.455 -18.825 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.111 -9.969 -17.625 1.00 0.00 N ATOM 0 H HIS A 70 -9.184 -12.234 -16.290 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.891 -10.135 -18.207 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.042 -12.963 -17.904 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.150 -12.364 -19.547 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.672 -11.812 -20.164 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.896 -10.395 -16.389 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.853 -10.201 -19.351 1.00 0.00 H new ATOM 1102 N PRO A 71 -10.883 -10.416 -19.821 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.042 -10.513 -20.717 1.00 0.00 C ATOM 1104 C PRO A 71 -12.112 -11.796 -21.572 1.00 0.00 C ATOM 1105 O PRO A 71 -11.339 -11.928 -22.527 1.00 0.00 O ATOM 1106 CB PRO A 71 -11.978 -9.258 -21.591 1.00 0.00 C ATOM 1107 CG PRO A 71 -11.229 -8.243 -20.752 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.301 -9.078 -19.895 1.00 0.00 C ATOM 0 HA PRO A 71 -12.952 -10.576 -20.121 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.460 -9.455 -22.530 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.976 -8.902 -21.846 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.673 -7.544 -21.376 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.911 -7.652 -20.141 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.302 -9.115 -20.330 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.200 -8.645 -18.900 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.024 -12.749 -21.290 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.169 -13.937 -22.125 1.00 0.00 C ATOM 1118 C PRO A 72 -13.918 -13.596 -23.428 1.00 0.00 C ATOM 1119 O PRO A 72 -14.706 -12.644 -23.453 1.00 0.00 O ATOM 1120 CB PRO A 72 -13.944 -14.931 -21.264 1.00 0.00 C ATOM 1121 CG PRO A 72 -14.814 -14.047 -20.385 1.00 0.00 C ATOM 1122 CD PRO A 72 -13.984 -12.777 -20.191 1.00 0.00 C ATOM 0 HA PRO A 72 -12.209 -14.349 -22.437 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.546 -15.605 -21.874 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.274 -15.552 -20.669 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.770 -13.829 -20.862 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.035 -14.528 -19.432 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.619 -11.891 -20.205 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.474 -12.788 -19.228 1.00 0.00 H new ATOM 1130 N PRO A 73 -13.731 -14.362 -24.519 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.363 -14.083 -25.814 1.00 0.00 C ATOM 1132 C PRO A 73 -15.900 -13.989 -25.777 1.00 0.00 C ATOM 1133 O PRO A 73 -16.480 -13.225 -26.550 1.00 0.00 O ATOM 1134 CB PRO A 73 -13.843 -15.165 -26.772 1.00 0.00 C ATOM 1135 CG PRO A 73 -13.325 -16.276 -25.861 1.00 0.00 C ATOM 1136 CD PRO A 73 -12.863 -15.525 -24.617 1.00 0.00 C ATOM 0 HA PRO A 73 -14.089 -13.084 -26.153 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.635 -15.528 -27.427 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.051 -14.778 -27.414 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.105 -17.000 -25.627 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.507 -16.827 -26.325 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.944 -16.151 -23.728 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.818 -15.228 -24.704 1.00 0.00 H new ATOM 1144 N HIS A 74 -16.567 -14.707 -24.861 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.032 -14.656 -24.688 1.00 0.00 C ATOM 1146 C HIS A 74 -18.540 -13.448 -23.882 1.00 0.00 C ATOM 1147 O HIS A 74 -19.737 -13.163 -23.935 1.00 0.00 O ATOM 1148 CB HIS A 74 -18.531 -15.970 -24.050 1.00 0.00 C ATOM 1149 CG HIS A 74 -18.613 -17.145 -24.994 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -19.734 -17.931 -25.205 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -17.571 -17.731 -25.658 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -19.370 -18.989 -25.957 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -18.058 -18.883 -26.245 1.00 0.00 N ATOM 0 H HIS A 74 -16.104 -15.345 -24.213 1.00 0.00 H new ATOM 0 HA HIS A 74 -18.446 -14.533 -25.689 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -17.868 -16.231 -23.225 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -19.519 -15.797 -23.622 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -16.557 -17.362 -25.713 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -20.022 -19.789 -26.276 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -17.515 -19.543 -26.803 1.00 0.00 H new ATOM 1162 N LEU A 75 -17.670 -12.722 -23.166 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.051 -11.542 -22.366 1.00 0.00 C ATOM 1164 C LEU A 75 -17.415 -10.242 -22.862 1.00 0.00 C ATOM 1165 O LEU A 75 -17.925 -9.176 -22.528 1.00 0.00 O ATOM 1166 CB LEU A 75 -17.775 -11.762 -20.871 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.456 -13.000 -20.259 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.024 -13.170 -18.805 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -19.980 -12.887 -20.292 1.00 0.00 C ATOM 0 H LEU A 75 -16.674 -12.936 -23.123 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.126 -11.425 -22.501 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.698 -11.849 -20.725 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.101 -10.878 -20.323 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.152 -13.859 -20.857 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.511 -14.048 -18.381 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.942 -13.297 -18.759 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.310 -12.286 -18.235 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.421 -13.781 -19.851 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.292 -12.010 -19.724 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.315 -12.789 -21.324 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.373 -10.290 -23.705 1.00 0.00 N ATOM 1182 CA LYS A 76 -15.789 -9.095 -24.346 1.00 0.00 C ATOM 1183 C LYS A 76 -16.866 -8.264 -25.055 1.00 0.00 C ATOM 1184 O LYS A 76 -16.833 -7.037 -24.980 1.00 0.00 O ATOM 1185 CB LYS A 76 -14.687 -9.519 -25.330 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.335 -9.695 -24.627 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.315 -10.332 -25.581 1.00 0.00 C ATOM 1188 CE LYS A 76 -10.867 -10.105 -25.134 1.00 0.00 C ATOM 1189 NZ LYS A 76 -9.896 -10.677 -26.104 1.00 0.00 N ATOM 0 H LYS A 76 -15.908 -11.160 -23.964 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.348 -8.466 -23.573 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.970 -10.454 -25.813 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.593 -8.770 -26.116 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.967 -8.728 -24.284 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.456 -10.321 -23.743 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.506 -11.403 -25.649 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.451 -9.920 -26.581 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.684 -9.036 -25.023 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.713 -10.558 -24.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.927 -10.504 -25.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.055 -11.701 -26.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.026 -10.226 -27.032 1.00 0.00 H new ATOM 1203 N THR A 77 -17.850 -8.925 -25.677 1.00 0.00 N ATOM 1204 CA THR A 77 -18.992 -8.264 -26.334 1.00 0.00 C ATOM 1205 C THR A 77 -19.845 -7.493 -25.320 1.00 0.00 C ATOM 1206 O THR A 77 -20.204 -6.340 -25.550 1.00 0.00 O ATOM 1207 CB THR A 77 -19.868 -9.299 -27.061 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.059 -10.133 -27.866 1.00 0.00 O ATOM 1209 CG2 THR A 77 -20.899 -8.644 -27.978 1.00 0.00 C ATOM 0 H THR A 77 -17.879 -9.943 -25.741 1.00 0.00 H new ATOM 0 HA THR A 77 -18.591 -7.557 -27.060 1.00 0.00 H new ATOM 0 HB THR A 77 -20.386 -9.866 -26.288 1.00 0.00 H new ATOM 0 HG1 THR A 77 -19.622 -10.791 -28.325 1.00 0.00 H new ATOM 0 HG21 THR A 77 -21.492 -9.416 -28.468 1.00 0.00 H new ATOM 0 HG22 THR A 77 -21.554 -8.002 -27.389 1.00 0.00 H new ATOM 0 HG23 THR A 77 -20.387 -8.046 -28.732 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.129 -8.099 -24.163 1.00 0.00 N ATOM 1218 CA GLN A 78 -20.907 -7.484 -23.083 1.00 0.00 C ATOM 1219 C GLN A 78 -20.147 -6.317 -22.434 1.00 0.00 C ATOM 1220 O GLN A 78 -20.729 -5.257 -22.196 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.273 -8.551 -22.034 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.045 -9.760 -22.597 1.00 0.00 C ATOM 1223 CD GLN A 78 -23.291 -9.363 -23.388 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -23.313 -9.373 -24.612 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -24.369 -8.986 -22.731 1.00 0.00 N ATOM 0 H GLN A 78 -19.820 -9.047 -23.947 1.00 0.00 H new ATOM 0 HA GLN A 78 -21.823 -7.074 -23.509 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.358 -8.908 -21.562 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -21.873 -8.084 -21.253 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -21.382 -10.338 -23.241 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.337 -10.412 -21.774 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.366 -8.972 -21.711 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.207 -8.708 -23.242 1.00 0.00 H new ATOM 1234 N LEU A 79 -18.842 -6.490 -22.185 1.00 0.00 N ATOM 1235 CA LEU A 79 -17.973 -5.451 -21.624 1.00 0.00 C ATOM 1236 C LEU A 79 -17.903 -4.231 -22.554 1.00 0.00 C ATOM 1237 O LEU A 79 -18.095 -3.111 -22.082 1.00 0.00 O ATOM 1238 CB LEU A 79 -16.568 -6.017 -21.333 1.00 0.00 C ATOM 1239 CG LEU A 79 -16.529 -7.075 -20.212 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.183 -7.795 -20.210 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -16.738 -6.440 -18.837 1.00 0.00 C ATOM 0 H LEU A 79 -18.356 -7.367 -22.370 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.403 -5.119 -20.679 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.171 -6.458 -22.247 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.906 -5.194 -21.063 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.336 -7.781 -20.407 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.170 -8.539 -19.414 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.033 -8.289 -21.170 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.384 -7.072 -20.045 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.705 -7.214 -18.070 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -15.951 -5.710 -18.650 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.708 -5.943 -18.809 1.00 0.00 H new ATOM 1253 N GLU A 80 -17.682 -4.408 -23.866 1.00 0.00 N ATOM 1254 CA GLU A 80 -17.664 -3.255 -24.779 1.00 0.00 C ATOM 1255 C GLU A 80 -19.032 -2.559 -24.864 1.00 0.00 C ATOM 1256 O GLU A 80 -19.073 -1.333 -24.910 1.00 0.00 O ATOM 1257 CB GLU A 80 -17.086 -3.568 -26.172 1.00 0.00 C ATOM 1258 CG GLU A 80 -17.964 -4.395 -27.124 1.00 0.00 C ATOM 1259 CD GLU A 80 -17.578 -4.127 -28.589 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -18.091 -3.137 -29.168 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -16.771 -4.894 -29.168 1.00 0.00 O ATOM 0 H GLU A 80 -17.518 -5.312 -24.309 1.00 0.00 H new ATOM 0 HA GLU A 80 -16.967 -2.548 -24.330 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -16.853 -2.623 -26.662 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -16.143 -4.097 -26.036 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -17.852 -5.456 -26.901 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -19.014 -4.146 -26.968 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.150 -3.299 -24.834 1.00 0.00 N ATOM 1269 CA ILE A 81 -21.502 -2.715 -24.850 1.00 0.00 C ATOM 1270 C ILE A 81 -21.720 -1.859 -23.596 1.00 0.00 C ATOM 1271 O ILE A 81 -22.171 -0.719 -23.710 1.00 0.00 O ATOM 1272 CB ILE A 81 -22.575 -3.819 -25.024 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -22.548 -4.315 -26.488 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -23.991 -3.323 -24.667 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.347 -5.602 -26.733 1.00 0.00 C ATOM 0 H ILE A 81 -20.144 -4.318 -24.798 1.00 0.00 H new ATOM 0 HA ILE A 81 -21.602 -2.053 -25.710 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.338 -4.631 -24.337 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -22.941 -3.529 -27.133 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -21.512 -4.482 -26.784 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -24.706 -4.134 -24.806 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.011 -2.996 -23.628 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.258 -2.489 -25.315 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -23.275 -5.880 -27.785 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -22.942 -6.405 -26.117 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.392 -5.437 -26.472 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.365 -2.362 -22.407 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.489 -1.595 -21.163 1.00 0.00 C ATOM 1289 C ASN A 82 -20.580 -0.346 -21.187 1.00 0.00 C ATOM 1290 O ASN A 82 -21.003 0.742 -20.792 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.215 -2.513 -19.953 1.00 0.00 C ATOM 1292 CG ASN A 82 -21.892 -2.041 -18.674 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -22.230 -0.881 -18.487 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -22.121 -2.935 -17.740 1.00 0.00 N ATOM 0 H ASN A 82 -20.988 -3.301 -22.281 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.509 -1.224 -21.067 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -21.557 -3.521 -20.186 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -20.139 -2.572 -19.786 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -22.576 -2.659 -16.870 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -21.844 -3.906 -17.884 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.350 -0.472 -21.700 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.411 0.648 -21.842 1.00 0.00 C ATOM 1303 C GLY A 83 -18.945 1.726 -22.794 1.00 0.00 C ATOM 1304 O GLY A 83 -18.988 2.906 -22.440 1.00 0.00 O ATOM 0 H GLY A 83 -18.975 -1.361 -22.031 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.222 1.089 -20.863 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.456 0.276 -22.214 1.00 0.00 H new