USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 CYS SG : rot 141:sc= 0.74 USER MOD Set 1.2: A 61 CYS SG : rot 116:sc= 0.475 USER MOD Set 1.3: A 66 CYS SG : rot 159:sc= 0.444 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.201 K(o=1.9,f=1.2) USER MOD Set 2.1: A 44 GLN : amide:sc= 1.96 K(o=3,f=-2.5) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 155:sc= 1.03 (180deg=0) USER MOD Set 3.1: A 40 SER OG : rot -39:sc= 0.743 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0.538 USER MOD Set 4.1: A 19 CYS SG : rot 132:sc= 1.26 USER MOD Set 4.2: A 27 CYS SG : rot 115:sc= 1.11 USER MOD Set 4.3: A 34 CYS SG : rot 133:sc= 3.11 USER MOD Set 4.4: A 38 HIS : no HE2:sc= -0.901 K(o=4.6,f=2.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 26 THR OG1 : rot -37:sc= 0.38 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 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 100:sc= 0.988 USER MOD Single : A 47 ASN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : A 56 SER OG : rot -48:sc= 1.25 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.3!) 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= -0.086 X(o=-0.086,f=-0.18) USER MOD Single : A 82 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.546 -0.431 -15.816 1.00 0.00 N ATOM 191 CA TRP A 13 -18.915 -1.415 -16.849 1.00 0.00 C ATOM 192 C TRP A 13 -18.171 -2.762 -16.743 1.00 0.00 C ATOM 193 O TRP A 13 -18.504 -3.704 -17.464 1.00 0.00 O ATOM 194 CB TRP A 13 -18.704 -0.771 -18.229 1.00 0.00 C ATOM 195 CG TRP A 13 -17.353 -0.912 -18.859 1.00 0.00 C ATOM 196 CD1 TRP A 13 -16.993 -1.908 -19.699 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.189 -0.037 -18.764 1.00 0.00 C ATOM 198 NE1 TRP A 13 -15.705 -1.702 -20.148 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.152 -0.572 -19.588 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.904 1.159 -18.069 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -13.891 0.031 -19.702 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.640 1.771 -18.177 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.633 1.211 -18.984 1.00 0.00 C ATOM 0 HA TRP A 13 -19.963 -1.672 -16.695 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.440 -1.193 -18.913 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.925 0.293 -18.141 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.621 -2.742 -19.977 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.223 -2.310 -20.811 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.664 1.609 -17.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.130 -0.405 -20.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.441 2.683 -17.633 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.665 1.686 -19.051 1.00 0.00 H new ATOM 214 N LEU A 14 -17.168 -2.857 -15.863 1.00 0.00 N ATOM 215 CA LEU A 14 -16.294 -4.023 -15.683 1.00 0.00 C ATOM 216 C LEU A 14 -16.718 -4.977 -14.557 1.00 0.00 C ATOM 217 O LEU A 14 -16.246 -6.113 -14.530 1.00 0.00 O ATOM 218 CB LEU A 14 -14.864 -3.515 -15.411 1.00 0.00 C ATOM 219 CG LEU A 14 -14.256 -2.653 -16.535 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.895 -2.122 -16.101 1.00 0.00 C ATOM 221 CD2 LEU A 14 -14.044 -3.433 -17.832 1.00 0.00 C ATOM 0 H LEU A 14 -16.933 -2.092 -15.230 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.359 -4.608 -16.600 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.870 -2.933 -14.490 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.215 -4.374 -15.241 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.967 -1.848 -16.719 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.470 -1.514 -16.899 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.011 -1.514 -15.204 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.229 -2.958 -15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.614 -2.774 -18.586 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.366 -4.266 -17.649 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.001 -3.815 -18.187 1.00 0.00 H new ATOM 233 N THR A 15 -17.563 -4.542 -13.617 1.00 0.00 N ATOM 234 CA THR A 15 -18.023 -5.349 -12.469 1.00 0.00 C ATOM 235 C THR A 15 -19.073 -6.397 -12.887 1.00 0.00 C ATOM 236 O THR A 15 -20.279 -6.230 -12.689 1.00 0.00 O ATOM 237 CB THR A 15 -18.520 -4.469 -11.308 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.714 -3.319 -11.156 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.481 -5.206 -9.971 1.00 0.00 C ATOM 0 H THR A 15 -17.957 -3.601 -13.628 1.00 0.00 H new ATOM 0 HA THR A 15 -17.156 -5.897 -12.101 1.00 0.00 H new ATOM 0 HB THR A 15 -19.545 -4.201 -11.563 1.00 0.00 H new ATOM 0 HG1 THR A 15 -18.053 -2.778 -10.413 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.840 -4.546 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.118 -6.089 -10.024 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.457 -5.509 -9.752 1.00 0.00 H new ATOM 247 N LEU A 16 -18.602 -7.485 -13.496 1.00 0.00 N ATOM 248 CA LEU A 16 -19.377 -8.627 -13.997 1.00 0.00 C ATOM 249 C LEU A 16 -19.836 -9.544 -12.851 1.00 0.00 C ATOM 250 O LEU A 16 -19.100 -9.752 -11.889 1.00 0.00 O ATOM 251 CB LEU A 16 -18.457 -9.419 -14.959 1.00 0.00 C ATOM 252 CG LEU A 16 -18.948 -9.447 -16.412 1.00 0.00 C ATOM 253 CD1 LEU A 16 -17.835 -9.976 -17.316 1.00 0.00 C ATOM 254 CD2 LEU A 16 -20.179 -10.341 -16.578 1.00 0.00 C ATOM 0 H LEU A 16 -17.603 -7.603 -13.665 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.273 -8.268 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.459 -8.982 -14.932 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.366 -10.443 -14.597 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.220 -8.428 -16.688 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -18.184 -9.996 -18.349 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.964 -9.325 -17.240 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.563 -10.985 -17.005 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.496 -10.334 -17.621 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.931 -11.360 -16.281 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.988 -9.967 -15.951 1.00 0.00 H new ATOM 266 N GLU A 17 -21.025 -10.142 -12.937 1.00 0.00 N ATOM 267 CA GLU A 17 -21.471 -11.096 -11.908 1.00 0.00 C ATOM 268 C GLU A 17 -20.725 -12.434 -12.023 1.00 0.00 C ATOM 269 O GLU A 17 -20.347 -12.848 -13.124 1.00 0.00 O ATOM 270 CB GLU A 17 -22.984 -11.357 -11.973 1.00 0.00 C ATOM 271 CG GLU A 17 -23.823 -10.073 -11.944 1.00 0.00 C ATOM 272 CD GLU A 17 -25.187 -10.279 -11.261 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.540 -9.443 -10.393 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.905 -11.259 -11.582 1.00 0.00 O ATOM 0 H GLU A 17 -21.691 -9.989 -13.694 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.240 -10.634 -10.948 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.211 -11.911 -12.884 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.273 -11.991 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.271 -9.293 -11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.980 -9.721 -12.964 1.00 0.00 H new ATOM 281 N VAL A 18 -20.558 -13.143 -10.899 1.00 0.00 N ATOM 282 CA VAL A 18 -19.990 -14.504 -10.905 1.00 0.00 C ATOM 283 C VAL A 18 -21.109 -15.498 -11.239 1.00 0.00 C ATOM 284 O VAL A 18 -22.262 -15.284 -10.845 1.00 0.00 O ATOM 285 CB VAL A 18 -19.294 -14.890 -9.582 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.252 -13.845 -9.171 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.237 -15.127 -8.397 1.00 0.00 C ATOM 0 H VAL A 18 -20.807 -12.799 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.207 -14.533 -11.663 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.820 -15.845 -9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -17.782 -14.148 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.493 -13.763 -9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.739 -12.879 -9.036 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.654 -15.393 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.805 -14.218 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.924 -15.939 -8.636 1.00 0.00 H new ATOM 297 N CYS A 19 -20.797 -16.583 -11.952 1.00 0.00 N ATOM 298 CA CYS A 19 -21.804 -17.585 -12.307 1.00 0.00 C ATOM 299 C CYS A 19 -22.437 -18.205 -11.053 1.00 0.00 C ATOM 300 O CYS A 19 -21.748 -18.660 -10.137 1.00 0.00 O ATOM 301 CB CYS A 19 -21.179 -18.623 -13.230 1.00 0.00 C ATOM 302 SG CYS A 19 -22.420 -19.836 -13.782 1.00 0.00 S ATOM 0 H CYS A 19 -19.858 -16.789 -12.294 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.621 -17.107 -12.847 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.739 -18.128 -14.096 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.369 -19.136 -12.711 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.333 -19.990 -15.070 1.00 0.00 H new ATOM 307 N ARG A 20 -23.772 -18.188 -11.001 1.00 0.00 N ATOM 308 CA ARG A 20 -24.577 -18.661 -9.866 1.00 0.00 C ATOM 309 C ARG A 20 -24.350 -20.133 -9.550 1.00 0.00 C ATOM 310 O ARG A 20 -24.412 -20.521 -8.385 1.00 0.00 O ATOM 311 CB ARG A 20 -26.070 -18.390 -10.109 1.00 0.00 C ATOM 312 CG ARG A 20 -26.427 -16.890 -10.160 1.00 0.00 C ATOM 313 CD ARG A 20 -26.186 -16.230 -11.532 1.00 0.00 C ATOM 314 NE ARG A 20 -26.609 -14.814 -11.559 1.00 0.00 N ATOM 315 CZ ARG A 20 -27.810 -14.333 -11.822 1.00 0.00 C ATOM 316 NH1 ARG A 20 -28.841 -15.103 -12.038 1.00 0.00 N ATOM 317 NH2 ARG A 20 -28.002 -13.049 -11.873 1.00 0.00 N ATOM 0 H ARG A 20 -24.342 -17.834 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.246 -18.096 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.367 -18.857 -11.048 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.650 -18.866 -9.318 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.476 -16.768 -9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.841 -16.363 -9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -25.127 -16.295 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.729 -16.783 -12.298 1.00 0.00 H new ATOM 0 HE ARG A 20 -25.886 -14.126 -11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -28.736 -16.117 -12.007 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -29.752 -14.691 -12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -27.224 -12.410 -11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -28.931 -12.680 -12.076 1.00 0.00 H new ATOM 331 N GLU A 21 -24.055 -20.948 -10.559 1.00 0.00 N ATOM 332 CA GLU A 21 -23.768 -22.372 -10.385 1.00 0.00 C ATOM 333 C GLU A 21 -22.309 -22.585 -9.946 1.00 0.00 C ATOM 334 O GLU A 21 -22.015 -23.439 -9.104 1.00 0.00 O ATOM 335 CB GLU A 21 -24.087 -23.133 -11.679 1.00 0.00 C ATOM 336 CG GLU A 21 -25.530 -22.926 -12.183 1.00 0.00 C ATOM 337 CD GLU A 21 -26.587 -23.253 -11.110 1.00 0.00 C ATOM 338 OE1 GLU A 21 -27.222 -22.319 -10.565 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.767 -24.437 -10.743 1.00 0.00 O ATOM 0 H GLU A 21 -24.008 -20.638 -11.529 1.00 0.00 H new ATOM 0 HA GLU A 21 -24.404 -22.768 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.392 -22.817 -12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.919 -24.197 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.653 -21.892 -12.505 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.699 -23.555 -13.057 1.00 0.00 H new ATOM 346 N PHE A 22 -21.391 -21.750 -10.438 1.00 0.00 N ATOM 347 CA PHE A 22 -19.987 -21.732 -10.028 1.00 0.00 C ATOM 348 C PHE A 22 -19.840 -21.343 -8.545 1.00 0.00 C ATOM 349 O PHE A 22 -18.882 -21.770 -7.898 1.00 0.00 O ATOM 350 CB PHE A 22 -19.233 -20.777 -10.956 1.00 0.00 C ATOM 351 CG PHE A 22 -17.722 -20.766 -10.850 1.00 0.00 C ATOM 352 CD1 PHE A 22 -17.080 -19.869 -9.976 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.954 -21.597 -11.688 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.676 -19.818 -9.926 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.549 -21.549 -11.633 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.910 -20.661 -10.751 1.00 0.00 C ATOM 0 H PHE A 22 -21.609 -21.052 -11.149 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.558 -22.730 -10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.499 -21.023 -11.984 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.593 -19.766 -10.767 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.666 -19.219 -9.343 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.444 -22.272 -12.374 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.185 -19.131 -9.253 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.961 -22.195 -12.269 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.831 -20.626 -10.707 1.00 0.00 H new ATOM 366 N GLN A 23 -20.809 -20.609 -7.969 1.00 0.00 N ATOM 367 CA GLN A 23 -20.818 -20.250 -6.537 1.00 0.00 C ATOM 368 C GLN A 23 -20.810 -21.483 -5.608 1.00 0.00 C ATOM 369 O GLN A 23 -20.352 -21.388 -4.467 1.00 0.00 O ATOM 370 CB GLN A 23 -22.021 -19.360 -6.159 1.00 0.00 C ATOM 371 CG GLN A 23 -21.990 -17.949 -6.767 1.00 0.00 C ATOM 372 CD GLN A 23 -23.176 -17.074 -6.354 1.00 0.00 C ATOM 373 OE1 GLN A 23 -23.781 -17.224 -5.300 1.00 0.00 O ATOM 374 NE2 GLN A 23 -23.563 -16.119 -7.175 1.00 0.00 N ATOM 0 H GLN A 23 -21.611 -20.246 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.894 -19.691 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.938 -19.858 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -22.064 -19.273 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -21.065 -17.455 -6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -21.972 -18.032 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.073 -15.976 -8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.352 -15.522 -6.927 1.00 0.00 H new ATOM 383 N ARG A 24 -21.279 -22.644 -6.100 1.00 0.00 N ATOM 384 CA ARG A 24 -21.290 -23.937 -5.385 1.00 0.00 C ATOM 385 C ARG A 24 -20.420 -24.993 -6.092 1.00 0.00 C ATOM 386 O ARG A 24 -20.512 -26.182 -5.784 1.00 0.00 O ATOM 387 CB ARG A 24 -22.732 -24.451 -5.180 1.00 0.00 C ATOM 388 CG ARG A 24 -23.729 -23.447 -4.566 1.00 0.00 C ATOM 389 CD ARG A 24 -24.661 -22.804 -5.607 1.00 0.00 C ATOM 390 NE ARG A 24 -25.536 -23.808 -6.250 1.00 0.00 N ATOM 391 CZ ARG A 24 -26.230 -23.652 -7.363 1.00 0.00 C ATOM 392 NH1 ARG A 24 -26.339 -22.505 -7.957 1.00 0.00 N ATOM 393 NH2 ARG A 24 -26.813 -24.660 -7.938 1.00 0.00 N ATOM 0 H ARG A 24 -21.674 -22.712 -7.038 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.852 -23.763 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -23.121 -24.775 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -22.694 -25.332 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -24.332 -23.957 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -23.174 -22.663 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -25.274 -22.042 -5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -24.065 -22.300 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.611 -24.714 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -25.880 -21.683 -7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -26.884 -22.425 -8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -26.739 -25.592 -7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -27.345 -24.520 -8.797 1.00 0.00 H new ATOM 407 N GLY A 25 -19.585 -24.571 -7.049 1.00 0.00 N ATOM 408 CA GLY A 25 -18.703 -25.437 -7.838 1.00 0.00 C ATOM 409 C GLY A 25 -19.446 -26.472 -8.691 1.00 0.00 C ATOM 410 O GLY A 25 -18.991 -27.613 -8.797 1.00 0.00 O ATOM 0 H GLY A 25 -19.503 -23.587 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.090 -24.816 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.023 -25.958 -7.163 1.00 0.00 H new ATOM 414 N THR A 26 -20.599 -26.101 -9.266 1.00 0.00 N ATOM 415 CA THR A 26 -21.465 -27.009 -10.049 1.00 0.00 C ATOM 416 C THR A 26 -21.835 -26.493 -11.456 1.00 0.00 C ATOM 417 O THR A 26 -22.767 -27.012 -12.079 1.00 0.00 O ATOM 418 CB THR A 26 -22.670 -27.446 -9.191 1.00 0.00 C ATOM 419 OG1 THR A 26 -23.352 -28.546 -9.760 1.00 0.00 O ATOM 420 CG2 THR A 26 -23.684 -26.337 -8.911 1.00 0.00 C ATOM 0 H THR A 26 -20.965 -25.151 -9.202 1.00 0.00 H new ATOM 0 HA THR A 26 -20.882 -27.900 -10.282 1.00 0.00 H new ATOM 0 HB THR A 26 -22.222 -27.729 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 26 -23.362 -28.455 -10.736 1.00 0.00 H new ATOM 0 HG21 THR A 26 -24.497 -26.733 -8.302 1.00 0.00 H new ATOM 0 HG22 THR A 26 -23.194 -25.522 -8.378 1.00 0.00 H new ATOM 0 HG23 THR A 26 -24.085 -25.964 -9.854 1.00 0.00 H new ATOM 428 N CYS A 27 -21.086 -25.518 -11.995 1.00 0.00 N ATOM 429 CA CYS A 27 -21.246 -25.057 -13.383 1.00 0.00 C ATOM 430 C CYS A 27 -20.820 -26.178 -14.378 1.00 0.00 C ATOM 431 O CYS A 27 -20.284 -27.222 -13.982 1.00 0.00 O ATOM 432 CB CYS A 27 -20.495 -23.722 -13.580 1.00 0.00 C ATOM 433 SG CYS A 27 -20.985 -22.920 -15.148 1.00 0.00 S ATOM 0 H CYS A 27 -20.354 -25.028 -11.482 1.00 0.00 H new ATOM 0 HA CYS A 27 -22.295 -24.854 -13.597 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.707 -23.055 -12.744 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.420 -23.902 -13.580 1.00 0.00 H new ATOM 0 HG CYS A 27 -21.594 -21.801 -14.891 1.00 0.00 H new ATOM 438 N SER A 28 -21.059 -25.976 -15.674 1.00 0.00 N ATOM 439 CA SER A 28 -20.805 -26.952 -16.753 1.00 0.00 C ATOM 440 C SER A 28 -20.061 -26.392 -17.977 1.00 0.00 C ATOM 441 O SER A 28 -19.928 -27.089 -18.990 1.00 0.00 O ATOM 442 CB SER A 28 -22.136 -27.595 -17.171 1.00 0.00 C ATOM 443 OG SER A 28 -23.036 -26.631 -17.700 1.00 0.00 O ATOM 0 H SER A 28 -21.449 -25.100 -16.022 1.00 0.00 H new ATOM 0 HA SER A 28 -20.124 -27.696 -16.339 1.00 0.00 H new ATOM 0 HB2 SER A 28 -21.950 -28.368 -17.916 1.00 0.00 H new ATOM 0 HB3 SER A 28 -22.591 -28.085 -16.310 1.00 0.00 H new ATOM 0 HG SER A 28 -23.872 -27.071 -17.958 1.00 0.00 H new ATOM 449 N ARG A 29 -19.558 -25.153 -17.906 1.00 0.00 N ATOM 450 CA ARG A 29 -18.856 -24.451 -18.992 1.00 0.00 C ATOM 451 C ARG A 29 -17.557 -23.781 -18.514 1.00 0.00 C ATOM 452 O ARG A 29 -17.518 -23.279 -17.388 1.00 0.00 O ATOM 453 CB ARG A 29 -19.778 -23.329 -19.495 1.00 0.00 C ATOM 454 CG ARG A 29 -21.067 -23.812 -20.184 1.00 0.00 C ATOM 455 CD ARG A 29 -22.050 -22.646 -20.368 1.00 0.00 C ATOM 456 NE ARG A 29 -22.490 -22.105 -19.065 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.393 -22.588 -18.237 1.00 0.00 C ATOM 458 NH1 ARG A 29 -24.197 -23.568 -18.552 1.00 0.00 N ATOM 459 NH2 ARG A 29 -23.491 -22.073 -17.054 1.00 0.00 N ATOM 0 H ARG A 29 -19.631 -24.589 -17.059 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.609 -25.184 -19.760 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -20.050 -22.695 -18.651 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -19.220 -22.706 -20.194 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -20.826 -24.248 -21.153 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.533 -24.597 -19.588 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -21.576 -21.856 -20.951 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -22.917 -22.984 -20.935 1.00 0.00 H new ATOM 0 HE ARG A 29 -22.034 -21.243 -18.767 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -24.142 -23.996 -19.476 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.880 -23.906 -17.874 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -22.876 -21.308 -16.778 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -24.184 -22.432 -16.397 1.00 0.00 H new ATOM 473 N PRO A 30 -16.509 -23.700 -19.357 1.00 0.00 N ATOM 474 CA PRO A 30 -15.317 -22.918 -19.036 1.00 0.00 C ATOM 475 C PRO A 30 -15.662 -21.414 -19.061 1.00 0.00 C ATOM 476 O PRO A 30 -16.699 -21.002 -19.592 1.00 0.00 O ATOM 477 CB PRO A 30 -14.296 -23.285 -20.119 1.00 0.00 C ATOM 478 CG PRO A 30 -15.172 -23.616 -21.327 1.00 0.00 C ATOM 479 CD PRO A 30 -16.401 -24.268 -20.694 1.00 0.00 C ATOM 0 HA PRO A 30 -14.923 -23.129 -18.042 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.617 -22.459 -20.329 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.682 -24.135 -19.822 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.436 -22.721 -21.891 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.668 -24.292 -22.018 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.297 -24.063 -21.279 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.290 -25.351 -20.651 1.00 0.00 H new ATOM 487 N ASP A 31 -14.775 -20.566 -18.532 1.00 0.00 N ATOM 488 CA ASP A 31 -14.942 -19.099 -18.549 1.00 0.00 C ATOM 489 C ASP A 31 -15.187 -18.539 -19.965 1.00 0.00 C ATOM 490 O ASP A 31 -15.905 -17.555 -20.143 1.00 0.00 O ATOM 491 CB ASP A 31 -13.718 -18.421 -17.913 1.00 0.00 C ATOM 492 CG ASP A 31 -12.421 -18.598 -18.725 1.00 0.00 C ATOM 493 OD1 ASP A 31 -11.968 -17.619 -19.360 1.00 0.00 O ATOM 494 OD2 ASP A 31 -11.852 -19.716 -18.714 1.00 0.00 O ATOM 0 H ASP A 31 -13.915 -20.873 -18.077 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.834 -18.874 -17.964 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.922 -17.356 -17.798 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.568 -18.826 -16.912 1.00 0.00 H new ATOM 499 N THR A 32 -14.620 -19.200 -20.974 1.00 0.00 N ATOM 500 CA THR A 32 -14.741 -18.865 -22.403 1.00 0.00 C ATOM 501 C THR A 32 -16.110 -19.181 -23.032 1.00 0.00 C ATOM 502 O THR A 32 -16.340 -18.810 -24.184 1.00 0.00 O ATOM 503 CB THR A 32 -13.640 -19.559 -23.224 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.647 -20.951 -22.977 1.00 0.00 O ATOM 505 CG2 THR A 32 -12.248 -19.035 -22.869 1.00 0.00 C ATOM 0 H THR A 32 -14.036 -20.022 -20.816 1.00 0.00 H new ATOM 0 HA THR A 32 -14.629 -17.781 -22.438 1.00 0.00 H new ATOM 0 HB THR A 32 -13.852 -19.346 -24.272 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.943 -21.381 -23.507 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.500 -19.551 -23.471 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.200 -17.965 -23.070 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.050 -19.215 -21.812 1.00 0.00 H new ATOM 513 N GLU A 33 -17.028 -19.839 -22.313 1.00 0.00 N ATOM 514 CA GLU A 33 -18.358 -20.244 -22.812 1.00 0.00 C ATOM 515 C GLU A 33 -19.545 -19.822 -21.935 1.00 0.00 C ATOM 516 O GLU A 33 -20.664 -19.727 -22.449 1.00 0.00 O ATOM 517 CB GLU A 33 -18.392 -21.779 -22.947 1.00 0.00 C ATOM 518 CG GLU A 33 -17.916 -22.244 -24.322 1.00 0.00 C ATOM 519 CD GLU A 33 -17.971 -23.779 -24.451 1.00 0.00 C ATOM 520 OE1 GLU A 33 -19.081 -24.335 -24.646 1.00 0.00 O ATOM 521 OE2 GLU A 33 -16.908 -24.442 -24.385 1.00 0.00 O ATOM 0 H GLU A 33 -16.867 -20.114 -21.344 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.480 -19.726 -23.764 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.763 -22.225 -22.176 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.408 -22.135 -22.775 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.536 -21.791 -25.095 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.895 -21.900 -24.490 1.00 0.00 H new ATOM 528 N CYS A 34 -19.347 -19.591 -20.635 1.00 0.00 N ATOM 529 CA CYS A 34 -20.439 -19.258 -19.723 1.00 0.00 C ATOM 530 C CYS A 34 -21.058 -17.857 -19.930 1.00 0.00 C ATOM 531 O CYS A 34 -20.519 -16.989 -20.627 1.00 0.00 O ATOM 532 CB CYS A 34 -19.970 -19.528 -18.289 1.00 0.00 C ATOM 533 SG CYS A 34 -21.405 -19.896 -17.236 1.00 0.00 S ATOM 0 H CYS A 34 -18.430 -19.630 -20.189 1.00 0.00 H new ATOM 0 HA CYS A 34 -21.283 -19.908 -19.953 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.272 -20.365 -18.276 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.435 -18.661 -17.902 1.00 0.00 H new ATOM 0 HG CYS A 34 -21.162 -20.958 -16.527 1.00 0.00 H new ATOM 538 N LYS A 35 -22.224 -17.656 -19.308 1.00 0.00 N ATOM 539 CA LYS A 35 -23.037 -16.422 -19.317 1.00 0.00 C ATOM 540 C LYS A 35 -22.573 -15.387 -18.281 1.00 0.00 C ATOM 541 O LYS A 35 -23.018 -14.239 -18.325 1.00 0.00 O ATOM 542 CB LYS A 35 -24.507 -16.791 -19.028 1.00 0.00 C ATOM 543 CG LYS A 35 -25.204 -17.594 -20.142 1.00 0.00 C ATOM 544 CD LYS A 35 -25.422 -16.820 -21.456 1.00 0.00 C ATOM 545 CE LYS A 35 -26.289 -15.555 -21.325 1.00 0.00 C ATOM 546 NZ LYS A 35 -27.702 -15.865 -20.977 1.00 0.00 N ATOM 0 H LYS A 35 -22.657 -18.391 -18.749 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.923 -15.968 -20.301 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.547 -17.368 -18.104 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -25.070 -15.874 -18.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -24.611 -18.484 -20.355 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -26.171 -17.936 -19.773 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -24.450 -16.537 -21.860 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -25.886 -17.488 -22.182 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -25.864 -14.905 -20.560 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -26.263 -15.002 -22.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -28.243 -14.980 -20.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -28.119 -16.463 -21.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -27.733 -16.369 -20.068 1.00 0.00 H new ATOM 560 N PHE A 36 -21.691 -15.786 -17.369 1.00 0.00 N ATOM 561 CA PHE A 36 -21.148 -14.980 -16.274 1.00 0.00 C ATOM 562 C PHE A 36 -19.646 -15.269 -16.075 1.00 0.00 C ATOM 563 O PHE A 36 -19.080 -16.155 -16.722 1.00 0.00 O ATOM 564 CB PHE A 36 -21.949 -15.309 -15.008 1.00 0.00 C ATOM 565 CG PHE A 36 -23.431 -14.988 -15.056 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.382 -16.025 -15.102 1.00 0.00 C ATOM 567 CD2 PHE A 36 -23.863 -13.648 -15.036 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.756 -15.725 -15.127 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.237 -13.347 -15.051 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.184 -14.385 -15.097 1.00 0.00 C ATOM 0 H PHE A 36 -21.313 -16.733 -17.372 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.238 -13.918 -16.504 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.835 -16.372 -14.796 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.507 -14.767 -14.172 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -24.055 -17.054 -15.118 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.137 -12.849 -15.009 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -26.482 -16.523 -15.169 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -25.565 -12.318 -15.027 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.239 -14.154 -15.109 1.00 0.00 H new ATOM 580 N ALA A 37 -18.976 -14.518 -15.195 1.00 0.00 N ATOM 581 CA ALA A 37 -17.547 -14.683 -14.947 1.00 0.00 C ATOM 582 C ALA A 37 -17.225 -15.860 -13.999 1.00 0.00 C ATOM 583 O ALA A 37 -18.020 -16.212 -13.122 1.00 0.00 O ATOM 584 CB ALA A 37 -17.025 -13.361 -14.387 1.00 0.00 C ATOM 0 H ALA A 37 -19.411 -13.782 -14.638 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.051 -14.934 -15.885 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.957 -13.446 -14.189 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.197 -12.565 -15.112 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.548 -13.126 -13.460 1.00 0.00 H new ATOM 590 N HIS A 38 -16.022 -16.429 -14.149 1.00 0.00 N ATOM 591 CA HIS A 38 -15.497 -17.550 -13.354 1.00 0.00 C ATOM 592 C HIS A 38 -14.109 -17.187 -12.762 1.00 0.00 C ATOM 593 O HIS A 38 -13.091 -17.406 -13.429 1.00 0.00 O ATOM 594 CB HIS A 38 -15.426 -18.829 -14.223 1.00 0.00 C ATOM 595 CG HIS A 38 -16.746 -19.446 -14.634 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.939 -20.314 -15.688 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.967 -19.285 -14.032 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.244 -20.640 -15.732 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.917 -20.022 -14.752 1.00 0.00 N ATOM 0 H HIS A 38 -15.360 -16.109 -14.856 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.172 -17.746 -12.521 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.864 -18.595 -15.127 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.855 -19.580 -13.677 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.217 -20.651 -16.325 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.164 -18.691 -13.152 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.687 -21.307 -16.457 1.00 0.00 H new ATOM 607 N PRO A 39 -14.034 -16.598 -11.546 1.00 0.00 N ATOM 608 CA PRO A 39 -12.770 -16.182 -10.917 1.00 0.00 C ATOM 609 C PRO A 39 -11.792 -17.331 -10.604 1.00 0.00 C ATOM 610 O PRO A 39 -12.155 -18.510 -10.584 1.00 0.00 O ATOM 611 CB PRO A 39 -13.167 -15.436 -9.635 1.00 0.00 C ATOM 612 CG PRO A 39 -14.569 -15.940 -9.317 1.00 0.00 C ATOM 613 CD PRO A 39 -15.162 -16.249 -10.689 1.00 0.00 C ATOM 0 HA PRO A 39 -12.215 -15.559 -11.619 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.474 -15.650 -8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.158 -14.356 -9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.542 -16.827 -8.684 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.154 -15.188 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.876 -17.071 -10.629 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.700 -15.388 -11.084 1.00 0.00 H new ATOM 621 N SER A 40 -10.539 -16.961 -10.314 1.00 0.00 N ATOM 622 CA SER A 40 -9.423 -17.856 -9.959 1.00 0.00 C ATOM 623 C SER A 40 -8.718 -17.438 -8.655 1.00 0.00 C ATOM 624 O SER A 40 -9.154 -16.518 -7.957 1.00 0.00 O ATOM 625 CB SER A 40 -8.413 -17.914 -11.114 1.00 0.00 C ATOM 626 OG SER A 40 -7.766 -16.659 -11.251 1.00 0.00 O ATOM 0 H SER A 40 -10.258 -15.980 -10.320 1.00 0.00 H new ATOM 0 HA SER A 40 -9.845 -18.846 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.676 -18.695 -10.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.923 -18.174 -12.042 1.00 0.00 H new ATOM 0 HG SER A 40 -8.413 -15.939 -11.098 1.00 0.00 H new ATOM 632 N LYS A 41 -7.619 -18.133 -8.332 1.00 0.00 N ATOM 633 CA LYS A 41 -6.755 -17.998 -7.143 1.00 0.00 C ATOM 634 C LYS A 41 -6.474 -16.580 -6.614 1.00 0.00 C ATOM 635 O LYS A 41 -6.390 -16.401 -5.398 1.00 0.00 O ATOM 636 CB LYS A 41 -5.471 -18.796 -7.396 1.00 0.00 C ATOM 637 CG LYS A 41 -4.529 -18.111 -8.387 1.00 0.00 C ATOM 638 CD LYS A 41 -3.334 -19.008 -8.696 1.00 0.00 C ATOM 639 CE LYS A 41 -2.453 -18.208 -9.647 1.00 0.00 C ATOM 640 NZ LYS A 41 -1.233 -18.957 -10.049 1.00 0.00 N ATOM 0 H LYS A 41 -7.278 -18.871 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.331 -18.407 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.950 -18.945 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.732 -19.784 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.065 -17.880 -9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.183 -17.164 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.793 -19.267 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.655 -19.944 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.026 -17.947 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.162 -17.273 -9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.665 -18.373 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.671 -19.185 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.509 -19.837 -10.529 1.00 0.00 H new ATOM 654 N SER A 42 -6.310 -15.593 -7.498 1.00 0.00 N ATOM 655 CA SER A 42 -5.992 -14.193 -7.156 1.00 0.00 C ATOM 656 C SER A 42 -7.135 -13.194 -7.381 1.00 0.00 C ATOM 657 O SER A 42 -7.079 -12.084 -6.850 1.00 0.00 O ATOM 658 CB SER A 42 -4.742 -13.753 -7.932 1.00 0.00 C ATOM 659 OG SER A 42 -4.884 -14.000 -9.323 1.00 0.00 O ATOM 0 H SER A 42 -6.396 -15.744 -8.503 1.00 0.00 H new ATOM 0 HA SER A 42 -5.814 -14.179 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.563 -12.691 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.870 -14.286 -7.553 1.00 0.00 H new ATOM 0 HG SER A 42 -5.129 -13.168 -9.780 1.00 0.00 H new ATOM 665 N CYS A 43 -8.169 -13.556 -8.149 1.00 0.00 N ATOM 666 CA CYS A 43 -9.297 -12.683 -8.480 1.00 0.00 C ATOM 667 C CYS A 43 -10.094 -12.220 -7.244 1.00 0.00 C ATOM 668 O CYS A 43 -10.540 -13.032 -6.430 1.00 0.00 O ATOM 669 CB CYS A 43 -10.202 -13.386 -9.499 1.00 0.00 C ATOM 670 SG CYS A 43 -9.278 -13.751 -11.024 1.00 0.00 S ATOM 0 H CYS A 43 -8.245 -14.484 -8.566 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.890 -11.772 -8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.591 -14.310 -9.072 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.060 -12.755 -9.729 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.061 -14.348 -11.873 1.00 0.00 H new ATOM 676 N GLN A 44 -10.301 -10.906 -7.126 1.00 0.00 N ATOM 677 CA GLN A 44 -11.063 -10.262 -6.055 1.00 0.00 C ATOM 678 C GLN A 44 -12.569 -10.335 -6.363 1.00 0.00 C ATOM 679 O GLN A 44 -13.006 -9.961 -7.454 1.00 0.00 O ATOM 680 CB GLN A 44 -10.558 -8.816 -5.920 1.00 0.00 C ATOM 681 CG GLN A 44 -11.143 -8.048 -4.723 1.00 0.00 C ATOM 682 CD GLN A 44 -10.424 -6.716 -4.489 1.00 0.00 C ATOM 683 OE1 GLN A 44 -9.200 -6.630 -4.451 1.00 0.00 O ATOM 684 NE2 GLN A 44 -11.132 -5.620 -4.314 1.00 0.00 N ATOM 0 H GLN A 44 -9.928 -10.237 -7.800 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.917 -10.773 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.472 -8.830 -5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.796 -8.274 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.203 -7.862 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.068 -8.663 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.151 -5.661 -4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.662 -4.729 -4.152 1.00 0.00 H new ATOM 693 N VAL A 45 -13.355 -10.809 -5.394 1.00 0.00 N ATOM 694 CA VAL A 45 -14.817 -10.998 -5.491 1.00 0.00 C ATOM 695 C VAL A 45 -15.514 -10.199 -4.387 1.00 0.00 C ATOM 696 O VAL A 45 -15.103 -10.249 -3.226 1.00 0.00 O ATOM 697 CB VAL A 45 -15.206 -12.487 -5.346 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.687 -12.724 -5.678 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.367 -13.462 -6.184 1.00 0.00 C ATOM 0 H VAL A 45 -12.984 -11.084 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.132 -10.648 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.003 -12.700 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.921 -13.783 -5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.310 -12.140 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.883 -12.418 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.716 -14.481 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.469 -13.215 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.320 -13.384 -5.893 1.00 0.00 H new ATOM 709 N GLU A 46 -16.576 -9.474 -4.736 1.00 0.00 N ATOM 710 CA GLU A 46 -17.367 -8.638 -3.822 1.00 0.00 C ATOM 711 C GLU A 46 -18.862 -8.700 -4.184 1.00 0.00 C ATOM 712 O GLU A 46 -19.233 -8.526 -5.345 1.00 0.00 O ATOM 713 CB GLU A 46 -16.873 -7.178 -3.891 1.00 0.00 C ATOM 714 CG GLU A 46 -15.468 -6.987 -3.295 1.00 0.00 C ATOM 715 CD GLU A 46 -14.961 -5.543 -3.450 1.00 0.00 C ATOM 716 OE1 GLU A 46 -15.554 -4.612 -2.850 1.00 0.00 O ATOM 717 OE2 GLU A 46 -13.940 -5.338 -4.152 1.00 0.00 O ATOM 0 H GLU A 46 -16.924 -9.449 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.240 -9.017 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.867 -6.852 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.577 -6.537 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.485 -7.253 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.772 -7.669 -3.784 1.00 0.00 H new ATOM 724 N ASN A 47 -19.724 -8.943 -3.188 1.00 0.00 N ATOM 725 CA ASN A 47 -21.192 -9.033 -3.309 1.00 0.00 C ATOM 726 C ASN A 47 -21.706 -9.893 -4.498 1.00 0.00 C ATOM 727 O ASN A 47 -22.712 -9.567 -5.133 1.00 0.00 O ATOM 728 CB ASN A 47 -21.765 -7.598 -3.275 1.00 0.00 C ATOM 729 CG ASN A 47 -23.155 -7.508 -2.655 1.00 0.00 C ATOM 730 OD1 ASN A 47 -23.340 -6.997 -1.560 1.00 0.00 O ATOM 731 ND2 ASN A 47 -24.174 -8.009 -3.316 1.00 0.00 N ATOM 0 H ASN A 47 -19.406 -9.090 -2.230 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.571 -9.596 -2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -21.084 -6.958 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.804 -7.208 -4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -25.111 -7.970 -2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -24.028 -8.437 -4.230 1.00 0.00 H new ATOM 738 N GLY A 48 -21.010 -10.989 -4.825 1.00 0.00 N ATOM 739 CA GLY A 48 -21.383 -11.883 -5.933 1.00 0.00 C ATOM 740 C GLY A 48 -20.955 -11.392 -7.325 1.00 0.00 C ATOM 741 O GLY A 48 -21.503 -11.834 -8.338 1.00 0.00 O ATOM 0 H GLY A 48 -20.169 -11.283 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -20.940 -12.863 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.465 -12.016 -5.926 1.00 0.00 H new ATOM 745 N ARG A 49 -19.985 -10.473 -7.391 1.00 0.00 N ATOM 746 CA ARG A 49 -19.450 -9.871 -8.621 1.00 0.00 C ATOM 747 C ARG A 49 -17.923 -9.773 -8.570 1.00 0.00 C ATOM 748 O ARG A 49 -17.312 -9.854 -7.506 1.00 0.00 O ATOM 749 CB ARG A 49 -20.105 -8.498 -8.893 1.00 0.00 C ATOM 750 CG ARG A 49 -21.641 -8.518 -8.811 1.00 0.00 C ATOM 751 CD ARG A 49 -22.270 -7.228 -9.347 1.00 0.00 C ATOM 752 NE ARG A 49 -23.734 -7.378 -9.455 1.00 0.00 N ATOM 753 CZ ARG A 49 -24.677 -6.474 -9.282 1.00 0.00 C ATOM 754 NH1 ARG A 49 -25.909 -6.835 -9.470 1.00 0.00 N ATOM 755 NH2 ARG A 49 -24.430 -5.241 -8.938 1.00 0.00 N ATOM 0 H ARG A 49 -19.530 -10.112 -6.552 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.702 -10.524 -9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.721 -7.774 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.807 -8.153 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.022 -9.368 -9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.945 -8.664 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -22.031 -6.396 -8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.849 -6.989 -10.324 1.00 0.00 H new ATOM 0 HE ARG A 49 -24.062 -8.313 -9.698 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -26.123 -7.794 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -26.663 -6.160 -9.344 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.468 -4.936 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -25.199 -4.581 -8.817 1.00 0.00 H new ATOM 769 N VAL A 50 -17.316 -9.616 -9.740 1.00 0.00 N ATOM 770 CA VAL A 50 -15.869 -9.558 -9.988 1.00 0.00 C ATOM 771 C VAL A 50 -15.565 -8.456 -11.007 1.00 0.00 C ATOM 772 O VAL A 50 -16.271 -8.314 -12.003 1.00 0.00 O ATOM 773 CB VAL A 50 -15.360 -10.903 -10.549 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.211 -11.933 -9.435 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.225 -11.537 -11.651 1.00 0.00 C ATOM 0 H VAL A 50 -17.852 -9.519 -10.602 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.367 -9.348 -9.043 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.404 -10.642 -11.003 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.851 -12.873 -9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.498 -11.569 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.177 -12.095 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.775 -12.477 -11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.226 -11.728 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.288 -10.857 -12.500 1.00 0.00 H new ATOM 785 N ILE A 51 -14.514 -7.667 -10.791 1.00 0.00 N ATOM 786 CA ILE A 51 -14.126 -6.588 -11.717 1.00 0.00 C ATOM 787 C ILE A 51 -13.191 -7.158 -12.799 1.00 0.00 C ATOM 788 O ILE A 51 -12.229 -7.864 -12.488 1.00 0.00 O ATOM 789 CB ILE A 51 -13.502 -5.411 -10.929 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.573 -4.798 -10.001 1.00 0.00 C ATOM 791 CG2 ILE A 51 -12.932 -4.336 -11.874 1.00 0.00 C ATOM 792 CD1 ILE A 51 -14.097 -3.653 -9.100 1.00 0.00 C ATOM 0 H ILE A 51 -13.906 -7.751 -9.976 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.002 -6.187 -12.227 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.672 -5.793 -10.334 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.395 -4.433 -10.617 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.975 -5.590 -9.369 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.502 -3.525 -11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.159 -4.777 -12.503 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.731 -3.944 -12.503 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.929 -3.299 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.298 -4.010 -8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.724 -2.835 -9.717 1.00 0.00 H new ATOM 804 N ALA A 52 -13.468 -6.871 -14.074 1.00 0.00 N ATOM 805 CA ALA A 52 -12.643 -7.301 -15.207 1.00 0.00 C ATOM 806 C ALA A 52 -11.324 -6.493 -15.302 1.00 0.00 C ATOM 807 O ALA A 52 -11.276 -5.324 -14.911 1.00 0.00 O ATOM 808 CB ALA A 52 -13.483 -7.217 -16.487 1.00 0.00 C ATOM 0 H ALA A 52 -14.284 -6.325 -14.352 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.334 -8.336 -15.060 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.881 -7.534 -17.339 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.353 -7.868 -16.395 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.813 -6.189 -16.639 1.00 0.00 H new ATOM 814 N CYS A 53 -10.253 -7.116 -15.810 1.00 0.00 N ATOM 815 CA CYS A 53 -8.915 -6.529 -15.937 1.00 0.00 C ATOM 816 C CYS A 53 -8.891 -5.384 -16.969 1.00 0.00 C ATOM 817 O CYS A 53 -8.768 -5.601 -18.180 1.00 0.00 O ATOM 818 CB CYS A 53 -7.884 -7.644 -16.234 1.00 0.00 C ATOM 819 SG CYS A 53 -6.163 -7.120 -15.890 1.00 0.00 S ATOM 0 H CYS A 53 -10.297 -8.075 -16.155 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.634 -6.067 -14.991 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.120 -8.522 -15.632 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.967 -7.942 -17.279 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.509 -8.106 -15.351 1.00 0.00 H new ATOM 824 N PHE A 54 -9.028 -4.146 -16.486 1.00 0.00 N ATOM 825 CA PHE A 54 -8.982 -2.940 -17.317 1.00 0.00 C ATOM 826 C PHE A 54 -7.653 -2.842 -18.079 1.00 0.00 C ATOM 827 O PHE A 54 -7.640 -2.442 -19.240 1.00 0.00 O ATOM 828 CB PHE A 54 -9.216 -1.685 -16.461 1.00 0.00 C ATOM 829 CG PHE A 54 -8.403 -1.611 -15.182 1.00 0.00 C ATOM 830 CD1 PHE A 54 -8.931 -2.125 -13.982 1.00 0.00 C ATOM 831 CD2 PHE A 54 -7.112 -1.053 -15.196 1.00 0.00 C ATOM 832 CE1 PHE A 54 -8.163 -2.098 -12.804 1.00 0.00 C ATOM 833 CE2 PHE A 54 -6.340 -1.032 -14.022 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.865 -1.555 -12.825 1.00 0.00 C ATOM 0 H PHE A 54 -9.176 -3.951 -15.496 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.783 -3.007 -18.054 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.992 -0.806 -17.066 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.274 -1.633 -16.203 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.928 -2.541 -13.966 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.713 -0.640 -16.111 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.569 -2.493 -11.885 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.344 -0.615 -14.038 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.272 -1.539 -11.923 1.00 0.00 H new ATOM 844 N ASP A 55 -6.542 -3.254 -17.464 1.00 0.00 N ATOM 845 CA ASP A 55 -5.228 -3.266 -18.110 1.00 0.00 C ATOM 846 C ASP A 55 -5.205 -4.185 -19.347 1.00 0.00 C ATOM 847 O ASP A 55 -4.552 -3.853 -20.340 1.00 0.00 O ATOM 848 CB ASP A 55 -4.144 -3.692 -17.112 1.00 0.00 C ATOM 849 CG ASP A 55 -3.894 -2.699 -15.972 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.781 -3.158 -14.809 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.724 -1.486 -16.242 1.00 0.00 O ATOM 0 H ASP A 55 -6.529 -3.590 -16.501 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.022 -2.251 -18.449 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.423 -4.654 -16.682 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.211 -3.844 -17.654 1.00 0.00 H new ATOM 856 N SER A 56 -5.934 -5.310 -19.335 1.00 0.00 N ATOM 857 CA SER A 56 -6.024 -6.225 -20.484 1.00 0.00 C ATOM 858 C SER A 56 -6.790 -5.590 -21.657 1.00 0.00 C ATOM 859 O SER A 56 -6.367 -5.700 -22.811 1.00 0.00 O ATOM 860 CB SER A 56 -6.642 -7.570 -20.065 1.00 0.00 C ATOM 861 OG SER A 56 -8.050 -7.509 -19.940 1.00 0.00 O ATOM 0 H SER A 56 -6.479 -5.612 -18.528 1.00 0.00 H new ATOM 0 HA SER A 56 -5.010 -6.419 -20.835 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.379 -8.331 -20.800 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.210 -7.883 -19.114 1.00 0.00 H new ATOM 0 HG SER A 56 -8.298 -6.723 -19.410 1.00 0.00 H new ATOM 867 N LEU A 57 -7.892 -4.885 -21.366 1.00 0.00 N ATOM 868 CA LEU A 57 -8.727 -4.178 -22.345 1.00 0.00 C ATOM 869 C LEU A 57 -8.052 -2.919 -22.921 1.00 0.00 C ATOM 870 O LEU A 57 -8.174 -2.649 -24.118 1.00 0.00 O ATOM 871 CB LEU A 57 -10.061 -3.797 -21.668 1.00 0.00 C ATOM 872 CG LEU A 57 -11.052 -4.965 -21.538 1.00 0.00 C ATOM 873 CD1 LEU A 57 -12.178 -4.584 -20.578 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.684 -5.332 -22.885 1.00 0.00 C ATOM 0 H LEU A 57 -8.237 -4.788 -20.411 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.892 -4.849 -23.188 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.852 -3.399 -20.675 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.531 -2.997 -22.240 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.490 -5.821 -21.165 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.878 -5.415 -20.489 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.759 -4.356 -19.598 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.702 -3.708 -20.961 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.377 -6.162 -22.748 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.222 -4.471 -23.281 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.902 -5.625 -23.586 1.00 0.00 H new ATOM 886 N LYS A 58 -7.350 -2.139 -22.086 1.00 0.00 N ATOM 887 CA LYS A 58 -6.659 -0.892 -22.477 1.00 0.00 C ATOM 888 C LYS A 58 -5.260 -1.111 -23.083 1.00 0.00 C ATOM 889 O LYS A 58 -4.686 -0.170 -23.633 1.00 0.00 O ATOM 890 CB LYS A 58 -6.596 0.065 -21.270 1.00 0.00 C ATOM 891 CG LYS A 58 -7.951 0.498 -20.666 1.00 0.00 C ATOM 892 CD LYS A 58 -8.861 1.355 -21.565 1.00 0.00 C ATOM 893 CE LYS A 58 -9.746 0.513 -22.498 1.00 0.00 C ATOM 894 NZ LYS A 58 -10.617 1.374 -23.343 1.00 0.00 N ATOM 0 H LYS A 58 -7.242 -2.359 -21.096 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.249 -0.445 -23.278 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.009 -0.413 -20.485 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.054 0.961 -21.572 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.500 -0.400 -20.381 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.754 1.055 -19.750 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.496 1.982 -20.938 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.244 2.025 -22.164 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.117 -0.108 -23.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.364 -0.162 -21.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.202 0.776 -23.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.233 1.949 -22.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.026 2.000 -23.926 1.00 0.00 H new ATOM 908 N GLY A 59 -4.713 -2.330 -23.015 1.00 0.00 N ATOM 909 CA GLY A 59 -3.408 -2.687 -23.593 1.00 0.00 C ATOM 910 C GLY A 59 -2.197 -2.317 -22.723 1.00 0.00 C ATOM 911 O GLY A 59 -1.178 -1.860 -23.247 1.00 0.00 O ATOM 0 H GLY A 59 -5.172 -3.112 -22.548 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.390 -3.761 -23.779 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.307 -2.194 -24.560 1.00 0.00 H new ATOM 915 N ARG A 60 -2.312 -2.492 -21.399 1.00 0.00 N ATOM 916 CA ARG A 60 -1.287 -2.168 -20.383 1.00 0.00 C ATOM 917 C ARG A 60 -0.903 -3.357 -19.485 1.00 0.00 C ATOM 918 O ARG A 60 0.066 -3.249 -18.730 1.00 0.00 O ATOM 919 CB ARG A 60 -1.810 -0.963 -19.566 1.00 0.00 C ATOM 920 CG ARG A 60 -0.841 -0.289 -18.574 1.00 0.00 C ATOM 921 CD ARG A 60 0.491 0.193 -19.177 1.00 0.00 C ATOM 922 NE ARG A 60 1.503 -0.880 -19.222 1.00 0.00 N ATOM 923 CZ ARG A 60 2.745 -0.797 -19.661 1.00 0.00 C ATOM 924 NH1 ARG A 60 3.536 -1.831 -19.606 1.00 0.00 N ATOM 925 NH2 ARG A 60 3.228 0.304 -20.162 1.00 0.00 N ATOM 0 H ARG A 60 -3.158 -2.881 -20.983 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.356 -1.914 -20.889 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.149 -0.203 -20.270 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.685 -1.293 -19.007 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.346 0.565 -18.122 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.623 -0.992 -17.770 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.317 0.568 -20.185 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.874 1.027 -18.588 1.00 0.00 H new ATOM 0 HE ARG A 60 1.208 -1.792 -18.873 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.197 -2.713 -19.222 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.494 -1.759 -19.947 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.642 1.136 -20.224 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.193 0.334 -20.492 1.00 0.00 H new ATOM 939 N CYS A 61 -1.627 -4.479 -19.543 1.00 0.00 N ATOM 940 CA CYS A 61 -1.374 -5.642 -18.688 1.00 0.00 C ATOM 941 C CYS A 61 0.069 -6.173 -18.823 1.00 0.00 C ATOM 942 O CYS A 61 0.558 -6.440 -19.928 1.00 0.00 O ATOM 943 CB CYS A 61 -2.459 -6.702 -18.922 1.00 0.00 C ATOM 944 SG CYS A 61 -2.776 -7.582 -17.361 1.00 0.00 S ATOM 0 H CYS A 61 -2.408 -4.606 -20.187 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.444 -5.336 -17.644 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.374 -6.231 -19.281 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.139 -7.404 -19.692 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.994 -7.350 -16.971 1.00 0.00 H new ATOM 1013 N CYS A 66 -3.000 -11.021 -11.826 1.00 0.00 N ATOM 1014 CA CYS A 66 -4.063 -10.020 -11.691 1.00 0.00 C ATOM 1015 C CYS A 66 -5.167 -10.420 -10.694 1.00 0.00 C ATOM 1016 O CYS A 66 -5.587 -11.580 -10.611 1.00 0.00 O ATOM 1017 CB CYS A 66 -4.723 -9.767 -13.062 1.00 0.00 C ATOM 1018 SG CYS A 66 -3.549 -9.370 -14.385 1.00 0.00 S ATOM 0 HA CYS A 66 -3.579 -9.122 -11.306 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.292 -10.652 -13.349 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.435 -8.948 -12.965 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.097 -9.612 -15.539 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.700 -9.414 -9.990 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.859 -9.565 -9.092 1.00 0.00 C ATOM 1025 C LYS A 67 -8.182 -9.359 -9.836 1.00 0.00 C ATOM 1026 O LYS A 67 -9.240 -9.268 -9.215 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.789 -8.578 -7.920 1.00 0.00 C ATOM 1028 CG LYS A 67 -5.398 -8.460 -7.287 1.00 0.00 C ATOM 1029 CD LYS A 67 -5.472 -7.771 -5.918 1.00 0.00 C ATOM 1030 CE LYS A 67 -5.964 -6.317 -6.018 1.00 0.00 C ATOM 1031 NZ LYS A 67 -6.454 -5.807 -4.712 1.00 0.00 N ATOM 0 H LYS A 67 -5.337 -8.461 -10.026 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.822 -10.585 -8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.103 -7.594 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.500 -8.888 -7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.960 -9.452 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.741 -7.894 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.141 -8.334 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.486 -7.787 -5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.152 -5.683 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.764 -6.254 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.376 -4.770 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.449 -6.082 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.881 -6.212 -3.944 1.00 0.00 H new ATOM 1045 N TYR A 68 -8.108 -9.244 -11.156 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.204 -8.893 -12.041 1.00 0.00 C ATOM 1047 C TYR A 68 -9.366 -9.915 -13.174 1.00 0.00 C ATOM 1048 O TYR A 68 -8.406 -10.554 -13.613 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.908 -7.478 -12.553 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.645 -6.461 -11.453 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -7.326 -6.120 -11.087 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.730 -5.909 -10.750 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -7.098 -5.231 -10.019 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -9.509 -5.018 -9.682 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.188 -4.681 -9.310 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.956 -3.842 -8.263 1.00 0.00 O ATOM 0 H TYR A 68 -7.236 -9.402 -11.661 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.159 -8.910 -11.516 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.041 -7.516 -13.213 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.751 -7.137 -13.154 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.490 -6.541 -11.626 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.740 -6.170 -11.031 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.087 -4.969 -9.742 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.347 -4.593 -9.149 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.810 -3.549 -7.883 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.607 -10.098 -13.624 1.00 0.00 N ATOM 1067 CA LEU A 69 -10.977 -11.089 -14.639 1.00 0.00 C ATOM 1068 C LEU A 69 -10.543 -10.690 -16.054 1.00 0.00 C ATOM 1069 O LEU A 69 -11.062 -9.717 -16.603 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.511 -11.291 -14.604 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.024 -12.386 -13.659 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.756 -13.783 -14.217 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.422 -12.301 -12.260 1.00 0.00 C ATOM 0 H LEU A 69 -11.400 -9.552 -13.288 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.453 -12.015 -14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.975 -10.347 -14.320 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.850 -11.522 -15.614 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.098 -12.214 -13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.133 -14.532 -13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.260 -13.894 -15.177 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.683 -13.921 -14.352 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.825 -13.102 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.339 -12.402 -12.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.671 -11.338 -11.814 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.662 -11.466 -16.690 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.360 -11.253 -18.113 1.00 0.00 C ATOM 1087 C HIS A 70 -10.660 -11.562 -18.892 1.00 0.00 C ATOM 1088 O HIS A 70 -11.289 -12.595 -18.628 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.168 -12.111 -18.567 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.830 -11.465 -18.292 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.735 -11.481 -19.129 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.520 -10.624 -17.252 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.809 -10.645 -18.623 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.244 -10.096 -17.480 1.00 0.00 N ATOM 0 H HIS A 70 -9.152 -12.235 -16.255 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.052 -10.225 -18.305 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.209 -13.075 -18.061 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.256 -12.308 -19.635 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.642 -12.031 -19.983 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.152 -10.407 -16.404 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.849 -10.444 -19.075 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.121 -10.680 -19.798 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.421 -10.828 -20.449 1.00 0.00 C ATOM 1104 C PRO A 71 -12.454 -11.973 -21.486 1.00 0.00 C ATOM 1105 O PRO A 71 -11.692 -11.942 -22.458 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.684 -9.456 -21.064 1.00 0.00 C ATOM 1107 CG PRO A 71 -11.293 -8.940 -21.408 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.481 -9.438 -20.218 1.00 0.00 C ATOM 0 HA PRO A 71 -13.201 -11.118 -19.745 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.314 -9.529 -21.950 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.194 -8.795 -20.364 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.927 -9.344 -22.352 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.268 -7.854 -21.496 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.441 -9.608 -20.497 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.479 -8.706 -19.411 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.331 -12.985 -21.323 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.459 -14.085 -22.276 1.00 0.00 C ATOM 1118 C PRO A 72 -14.215 -13.636 -23.542 1.00 0.00 C ATOM 1119 O PRO A 72 -15.085 -12.765 -23.446 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.241 -15.167 -21.529 1.00 0.00 C ATOM 1121 CG PRO A 72 -15.104 -14.389 -20.542 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.274 -13.148 -20.223 1.00 0.00 C ATOM 0 HA PRO A 72 -12.487 -14.443 -22.615 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.851 -15.760 -22.210 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.573 -15.859 -21.015 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.067 -14.124 -20.977 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.310 -14.973 -19.645 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.912 -12.269 -20.126 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.748 -13.266 -19.276 1.00 0.00 H new ATOM 1130 N PRO A 73 -13.955 -14.227 -24.728 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.630 -13.873 -25.985 1.00 0.00 C ATOM 1132 C PRO A 73 -16.161 -13.763 -25.899 1.00 0.00 C ATOM 1133 O PRO A 73 -16.754 -12.856 -26.486 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.203 -14.948 -26.992 1.00 0.00 C ATOM 1135 CG PRO A 73 -12.830 -15.379 -26.484 1.00 0.00 C ATOM 1136 CD PRO A 73 -12.970 -15.276 -24.967 1.00 0.00 C ATOM 0 HA PRO A 73 -14.331 -12.867 -26.279 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.905 -15.782 -27.012 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.151 -14.551 -28.006 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.585 -16.394 -26.798 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.040 -14.730 -26.860 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.297 -16.224 -24.539 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.015 -15.029 -24.502 1.00 0.00 H new ATOM 1144 N HIS A 74 -16.805 -14.659 -25.138 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.263 -14.690 -24.937 1.00 0.00 C ATOM 1146 C HIS A 74 -18.832 -13.524 -24.107 1.00 0.00 C ATOM 1147 O HIS A 74 -20.032 -13.257 -24.182 1.00 0.00 O ATOM 1148 CB HIS A 74 -18.630 -16.061 -24.336 1.00 0.00 C ATOM 1149 CG HIS A 74 -20.089 -16.421 -24.450 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -20.925 -16.784 -23.411 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -20.792 -16.557 -25.616 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -22.110 -17.151 -23.936 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -22.056 -17.005 -25.277 1.00 0.00 N ATOM 0 H HIS A 74 -16.317 -15.399 -24.633 1.00 0.00 H new ATOM 0 HA HIS A 74 -18.734 -14.553 -25.911 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.039 -16.831 -24.831 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -18.347 -16.070 -23.283 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -20.686 -16.775 -22.419 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -20.429 -16.353 -26.612 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -22.963 -17.504 -23.376 1.00 0.00 H new ATOM 1162 N LEU A 75 -17.990 -12.808 -23.349 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.375 -11.645 -22.532 1.00 0.00 C ATOM 1164 C LEU A 75 -17.740 -10.336 -23.018 1.00 0.00 C ATOM 1165 O LEU A 75 -18.248 -9.270 -22.673 1.00 0.00 O ATOM 1166 CB LEU A 75 -18.074 -11.905 -21.046 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.833 -13.104 -20.442 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.431 -13.301 -18.982 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -20.350 -12.908 -20.490 1.00 0.00 C ATOM 0 H LEU A 75 -16.996 -13.026 -23.284 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.451 -11.515 -22.649 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.003 -12.072 -20.929 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.321 -11.010 -20.476 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.568 -13.976 -21.040 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.973 -14.150 -18.567 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.359 -13.491 -18.922 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.673 -12.403 -18.414 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.843 -13.777 -20.054 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.620 -12.016 -19.925 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.669 -12.791 -21.526 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.702 -10.375 -23.869 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.122 -9.168 -24.491 1.00 0.00 C ATOM 1183 C LYS A 76 -17.193 -8.356 -25.226 1.00 0.00 C ATOM 1184 O LYS A 76 -17.157 -7.131 -25.171 1.00 0.00 O ATOM 1185 CB LYS A 76 -14.960 -9.528 -25.432 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.669 -9.780 -24.637 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.496 -10.265 -25.499 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.046 -9.211 -26.521 1.00 0.00 C ATOM 1189 NZ LYS A 76 -10.871 -9.678 -27.306 1.00 0.00 N ATOM 0 H LYS A 76 -16.240 -11.241 -24.146 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.721 -8.546 -23.691 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.216 -10.417 -26.009 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.801 -8.720 -26.146 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.379 -8.859 -24.131 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.869 -10.520 -23.862 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.656 -10.523 -24.853 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.786 -11.175 -26.024 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.870 -8.984 -27.198 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.794 -8.285 -26.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.593 -8.942 -27.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.078 -9.871 -26.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.120 -10.548 -27.819 1.00 0.00 H new ATOM 1203 N THR A 77 -18.179 -9.013 -25.847 1.00 0.00 N ATOM 1204 CA THR A 77 -19.316 -8.351 -26.515 1.00 0.00 C ATOM 1205 C THR A 77 -20.177 -7.561 -25.520 1.00 0.00 C ATOM 1206 O THR A 77 -20.574 -6.432 -25.798 1.00 0.00 O ATOM 1207 CB THR A 77 -20.194 -9.394 -27.233 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.399 -10.267 -28.008 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.224 -8.761 -28.166 1.00 0.00 C ATOM 0 H THR A 77 -18.215 -10.031 -25.903 1.00 0.00 H new ATOM 0 HA THR A 77 -18.903 -7.652 -27.242 1.00 0.00 H new ATOM 0 HB THR A 77 -20.716 -9.933 -26.443 1.00 0.00 H new ATOM 0 HG1 THR A 77 -19.974 -10.923 -28.455 1.00 0.00 H new ATOM 0 HG21 THR A 77 -21.813 -9.544 -28.643 1.00 0.00 H new ATOM 0 HG22 THR A 77 -21.884 -8.110 -27.592 1.00 0.00 H new ATOM 0 HG23 THR A 77 -20.712 -8.176 -28.930 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.432 -8.113 -24.328 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.193 -7.431 -23.274 1.00 0.00 C ATOM 1219 C GLN A 78 -20.388 -6.269 -22.677 1.00 0.00 C ATOM 1220 O GLN A 78 -20.926 -5.175 -22.501 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.584 -8.437 -22.176 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.541 -9.543 -22.659 1.00 0.00 C ATOM 1223 CD GLN A 78 -23.878 -9.015 -23.186 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -24.435 -8.033 -22.710 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -24.448 -9.639 -24.196 1.00 0.00 N ATOM 0 H GLN A 78 -20.116 -9.047 -24.066 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.099 -7.017 -23.715 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.679 -8.899 -21.781 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.053 -7.898 -21.352 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -22.051 -10.116 -23.446 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.732 -10.231 -21.835 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.001 -10.459 -24.607 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.336 -9.303 -24.567 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.098 -6.482 -22.392 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.197 -5.448 -21.865 1.00 0.00 C ATOM 1236 C LEU A 79 -18.030 -4.284 -22.859 1.00 0.00 C ATOM 1237 O LEU A 79 -18.075 -3.127 -22.449 1.00 0.00 O ATOM 1238 CB LEU A 79 -16.849 -6.085 -21.486 1.00 0.00 C ATOM 1239 CG LEU A 79 -16.936 -7.073 -20.306 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.605 -7.797 -20.146 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.253 -6.376 -18.983 1.00 0.00 C ATOM 0 H LEU A 79 -18.645 -7.386 -22.522 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.638 -5.018 -20.965 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.447 -6.606 -22.355 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.142 -5.294 -21.234 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.744 -7.768 -20.535 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.669 -8.495 -19.311 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.376 -8.345 -21.060 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.816 -7.070 -19.952 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.303 -7.116 -18.185 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.471 -5.651 -18.757 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.211 -5.863 -19.063 1.00 0.00 H new ATOM 1253 N GLU A 80 -17.917 -4.573 -24.162 1.00 0.00 N ATOM 1254 CA GLU A 80 -17.871 -3.576 -25.245 1.00 0.00 C ATOM 1255 C GLU A 80 -19.052 -2.605 -25.136 1.00 0.00 C ATOM 1256 O GLU A 80 -18.888 -1.388 -25.092 1.00 0.00 O ATOM 1257 CB GLU A 80 -18.019 -4.284 -26.614 1.00 0.00 C ATOM 1258 CG GLU A 80 -16.755 -4.554 -27.415 1.00 0.00 C ATOM 1259 CD GLU A 80 -16.145 -3.247 -27.957 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -16.757 -2.622 -28.857 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -15.059 -2.836 -27.482 1.00 0.00 O ATOM 0 H GLU A 80 -17.853 -5.532 -24.503 1.00 0.00 H new ATOM 0 HA GLU A 80 -16.922 -3.046 -25.163 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -18.518 -5.238 -26.445 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -18.684 -3.681 -27.232 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.026 -5.065 -26.786 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.984 -5.222 -28.245 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.254 -3.180 -25.129 1.00 0.00 N ATOM 1269 CA ILE A 81 -21.537 -2.480 -25.163 1.00 0.00 C ATOM 1270 C ILE A 81 -21.806 -1.713 -23.865 1.00 0.00 C ATOM 1271 O ILE A 81 -22.150 -0.533 -23.923 1.00 0.00 O ATOM 1272 CB ILE A 81 -22.608 -3.519 -25.570 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -22.341 -3.898 -27.054 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.044 -3.005 -25.391 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.010 -5.185 -27.536 1.00 0.00 C ATOM 0 H ILE A 81 -20.365 -4.194 -25.098 1.00 0.00 H new ATOM 0 HA ILE A 81 -21.549 -1.684 -25.907 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.527 -4.387 -24.916 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -22.676 -3.076 -27.687 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -21.265 -3.993 -27.198 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -24.748 -3.780 -25.694 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.212 -2.751 -24.344 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.193 -2.119 -26.008 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -22.759 -5.356 -28.583 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -22.658 -6.025 -26.937 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.091 -5.094 -27.433 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.581 -2.319 -22.693 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.733 -1.612 -21.412 1.00 0.00 C ATOM 1289 C ASN A 82 -20.715 -0.462 -21.277 1.00 0.00 C ATOM 1290 O ASN A 82 -21.049 0.590 -20.725 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.666 -2.598 -20.231 1.00 0.00 C ATOM 1292 CG ASN A 82 -22.948 -3.403 -20.089 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -23.880 -3.007 -19.403 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -23.056 -4.538 -20.736 1.00 0.00 N ATOM 0 H ASN A 82 -21.294 -3.294 -22.603 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.721 -1.153 -21.392 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.825 -3.277 -20.373 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -21.479 -2.047 -19.309 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -23.914 -5.085 -20.666 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -22.282 -4.874 -21.310 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.498 -0.621 -21.810 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.468 0.421 -21.809 1.00 0.00 C ATOM 1303 C GLY A 83 -18.826 1.569 -22.752 1.00 0.00 C ATOM 1304 O GLY A 83 -18.878 2.725 -22.333 1.00 0.00 O ATOM 0 H GLY A 83 -19.199 -1.487 -22.259 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.341 0.807 -20.797 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.513 -0.011 -22.107 1.00 0.00 H new