USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 754 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 13 CYS SG : rot 172:sc= 0.0351 USER MOD Set 1.2: A 17 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 6 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 14 GLN : amide:sc= -0.0484 K(o=-0.048,f=-2.1) USER MOD Single : A 16 GLN : amide:sc= -0.051 K(o=-0.051,f=-3!) USER MOD Single : A 20 TYR OH : rot 10:sc= -1.01 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 26 SER OG : rot 180:sc= -0.049 USER MOD Single : A 29 SER OG : rot 46:sc= 1.15 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -80:sc= 0 USER MOD Single : A 39 CYS SG : rot 89:sc= -1.01 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.42 K(o=-3.4,f=-2.4) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0347 USER MOD Single : A 56 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.7!) USER MOD Single : A 64 THR OG1 : rot 140:sc= -0.247 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.6!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0697 K(o=-0.07,f=-1.4) USER MOD Single : A 90 SER OG : rot -54:sc= 0.0173 USER MOD Single : A 98 TYR OH : rot -30:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.4) USER MOD Single : A 103 HIS : no HE2:sc= -11.1! C(o=-11!,f=-9.2!) USER MOD Single : A 104 SER OG : rot -69:sc= 1.07 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.138 0.484 -3.044 1.00 0.00 N ATOM 202 CA GLN A 6 -0.566 1.729 -3.329 1.00 0.00 C ATOM 203 C GLN A 6 -1.268 1.662 -4.683 1.00 0.00 C ATOM 204 O GLN A 6 -2.325 2.262 -4.876 1.00 0.00 O ATOM 205 CB GLN A 6 0.412 2.907 -3.301 1.00 0.00 C ATOM 206 CG GLN A 6 0.003 4.015 -2.343 1.00 0.00 C ATOM 207 CD GLN A 6 1.112 4.399 -1.383 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.069 4.061 -0.201 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.114 5.108 -1.888 1.00 0.00 N ATOM 0 HA GLN A 6 -1.323 1.876 -2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.400 2.542 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.499 3.320 -4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.296 4.893 -2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.869 3.694 -1.774 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.109 5.367 -2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.889 5.394 -1.289 1.00 0.00 H new ATOM 218 N GLU A 7 -0.666 0.935 -5.620 1.00 0.00 N ATOM 219 CA GLU A 7 -1.225 0.795 -6.960 1.00 0.00 C ATOM 220 C GLU A 7 -2.586 0.106 -6.928 1.00 0.00 C ATOM 221 O GLU A 7 -3.535 0.559 -7.566 1.00 0.00 O ATOM 222 CB GLU A 7 -0.265 0.007 -7.854 1.00 0.00 C ATOM 223 CG GLU A 7 -0.539 0.176 -9.338 1.00 0.00 C ATOM 224 CD GLU A 7 0.330 -0.723 -10.196 1.00 0.00 C ATOM 225 OE1 GLU A 7 0.171 -1.959 -10.112 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.170 -0.191 -10.952 1.00 0.00 O ATOM 0 H GLU A 7 0.210 0.433 -5.475 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.361 1.796 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.757 0.323 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.330 -1.051 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.588 -0.041 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.370 1.215 -9.619 1.00 0.00 H new ATOM 233 N GLU A 8 -2.678 -0.994 -6.185 1.00 0.00 N ATOM 234 CA GLU A 8 -3.928 -1.739 -6.083 1.00 0.00 C ATOM 235 C GLU A 8 -4.998 -0.920 -5.369 1.00 0.00 C ATOM 236 O GLU A 8 -6.183 -1.015 -5.688 1.00 0.00 O ATOM 237 CB GLU A 8 -3.704 -3.063 -5.348 1.00 0.00 C ATOM 238 CG GLU A 8 -3.193 -2.897 -3.927 1.00 0.00 C ATOM 239 CD GLU A 8 -3.482 -4.106 -3.059 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.302 -5.241 -3.546 1.00 0.00 O ATOM 241 OE2 GLU A 8 -3.887 -3.916 -1.893 1.00 0.00 O ATOM 0 H GLU A 8 -1.905 -1.387 -5.647 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.275 -1.950 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.642 -3.618 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.992 -3.665 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.118 -2.719 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.652 -2.015 -3.480 1.00 0.00 H new ATOM 248 N LEU A 9 -4.573 -0.110 -4.406 1.00 0.00 N ATOM 249 CA LEU A 9 -5.496 0.729 -3.652 1.00 0.00 C ATOM 250 C LEU A 9 -5.978 1.900 -4.500 1.00 0.00 C ATOM 251 O LEU A 9 -7.173 2.195 -4.548 1.00 0.00 O ATOM 252 CB LEU A 9 -4.824 1.248 -2.380 1.00 0.00 C ATOM 253 CG LEU A 9 -4.332 0.165 -1.419 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.506 0.778 -0.301 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.509 -0.615 -0.850 1.00 0.00 C ATOM 0 H LEU A 9 -3.596 -0.017 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.358 0.122 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.977 1.872 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.529 1.889 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.697 -0.526 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.165 -0.008 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.643 1.292 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.116 1.491 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.142 -1.382 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.169 0.064 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.060 -1.087 -1.663 1.00 0.00 H new ATOM 267 N LEU A 10 -5.041 2.565 -5.166 1.00 0.00 N ATOM 268 CA LEU A 10 -5.368 3.708 -6.014 1.00 0.00 C ATOM 269 C LEU A 10 -6.258 3.288 -7.180 1.00 0.00 C ATOM 270 O LEU A 10 -7.251 3.948 -7.482 1.00 0.00 O ATOM 271 CB LEU A 10 -4.088 4.359 -6.541 1.00 0.00 C ATOM 272 CG LEU A 10 -3.548 5.507 -5.682 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.205 5.133 -5.070 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.422 6.779 -6.509 1.00 0.00 C ATOM 0 H LEU A 10 -4.048 2.333 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.915 4.432 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.317 3.594 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.276 4.734 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.254 5.691 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.838 5.961 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.324 4.249 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.490 4.920 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.037 7.584 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.738 6.607 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.401 7.059 -6.898 1.00 0.00 H new ATOM 286 N ARG A 11 -5.893 2.189 -7.835 1.00 0.00 N ATOM 287 CA ARG A 11 -6.659 1.689 -8.970 1.00 0.00 C ATOM 288 C ARG A 11 -8.093 1.365 -8.562 1.00 0.00 C ATOM 289 O ARG A 11 -9.039 1.676 -9.286 1.00 0.00 O ATOM 290 CB ARG A 11 -5.986 0.450 -9.566 1.00 0.00 C ATOM 291 CG ARG A 11 -6.029 -0.768 -8.659 1.00 0.00 C ATOM 292 CD ARG A 11 -5.405 -1.983 -9.326 1.00 0.00 C ATOM 293 NE ARG A 11 -5.647 -3.210 -8.571 1.00 0.00 N ATOM 294 CZ ARG A 11 -6.823 -3.831 -8.522 1.00 0.00 C ATOM 295 NH1 ARG A 11 -7.869 -3.340 -9.176 1.00 0.00 N ATOM 296 NH2 ARG A 11 -6.955 -4.947 -7.816 1.00 0.00 N ATOM 0 H ARG A 11 -5.073 1.630 -7.599 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.688 2.472 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.470 0.205 -10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.946 0.686 -9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.501 -0.550 -7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.063 -0.989 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.810 -2.091 -10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.331 -1.828 -9.430 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.869 -3.615 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.774 -2.482 -9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.768 -3.821 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.155 -5.329 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.856 -5.423 -7.778 1.00 0.00 H new ATOM 310 N TRP A 12 -8.250 0.740 -7.398 1.00 0.00 N ATOM 311 CA TRP A 12 -9.573 0.379 -6.901 1.00 0.00 C ATOM 312 C TRP A 12 -10.410 1.625 -6.637 1.00 0.00 C ATOM 313 O TRP A 12 -11.588 1.681 -6.991 1.00 0.00 O ATOM 314 CB TRP A 12 -9.456 -0.450 -5.622 1.00 0.00 C ATOM 315 CG TRP A 12 -10.779 -0.921 -5.098 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.359 -2.138 -5.312 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.688 -0.182 -4.274 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.572 -2.201 -4.672 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.797 -1.013 -4.028 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.671 1.102 -3.719 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.878 -0.601 -3.251 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.745 1.508 -2.949 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.836 0.660 -2.721 1.00 0.00 C ATOM 0 H TRP A 12 -7.480 0.474 -6.784 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.069 -0.218 -7.666 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.821 -1.314 -5.814 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.960 0.146 -4.855 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.927 -2.935 -5.899 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.203 -3.002 -4.675 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.835 1.764 -3.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.720 -1.254 -3.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.743 2.497 -2.515 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.660 1.008 -2.115 1.00 0.00 H new ATOM 334 N CYS A 13 -9.795 2.625 -6.011 1.00 0.00 N ATOM 335 CA CYS A 13 -10.486 3.870 -5.698 1.00 0.00 C ATOM 336 C CYS A 13 -10.891 4.601 -6.974 1.00 0.00 C ATOM 337 O CYS A 13 -12.018 5.080 -7.094 1.00 0.00 O ATOM 338 CB CYS A 13 -9.595 4.769 -4.841 1.00 0.00 C ATOM 339 SG CYS A 13 -10.490 6.073 -3.963 1.00 0.00 S ATOM 0 H CYS A 13 -8.820 2.596 -5.711 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.389 3.626 -5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -9.067 4.152 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.839 5.228 -5.479 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.685 6.669 -3.134 1.00 0.00 H new ATOM 345 N GLN A 14 -9.966 4.683 -7.925 1.00 0.00 N ATOM 346 CA GLN A 14 -10.229 5.357 -9.191 1.00 0.00 C ATOM 347 C GLN A 14 -11.370 4.680 -9.941 1.00 0.00 C ATOM 348 O GLN A 14 -12.226 5.347 -10.522 1.00 0.00 O ATOM 349 CB GLN A 14 -8.970 5.372 -10.058 1.00 0.00 C ATOM 350 CG GLN A 14 -9.078 6.277 -11.275 1.00 0.00 C ATOM 351 CD GLN A 14 -9.187 5.501 -12.573 1.00 0.00 C ATOM 352 OE1 GLN A 14 -9.707 4.385 -12.601 1.00 0.00 O ATOM 353 NE2 GLN A 14 -8.696 6.090 -13.657 1.00 0.00 N ATOM 0 H GLN A 14 -9.028 4.291 -7.843 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.521 6.384 -8.972 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.125 5.694 -9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.755 4.356 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.951 6.921 -11.167 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.205 6.928 -11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.274 7.016 -13.587 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.741 5.617 -14.559 1.00 0.00 H new ATOM 362 N GLU A 15 -11.379 3.350 -9.921 1.00 0.00 N ATOM 363 CA GLU A 15 -12.418 2.584 -10.597 1.00 0.00 C ATOM 364 C GLU A 15 -13.774 2.809 -9.934 1.00 0.00 C ATOM 365 O GLU A 15 -14.778 3.031 -10.611 1.00 0.00 O ATOM 366 CB GLU A 15 -12.074 1.094 -10.586 1.00 0.00 C ATOM 367 CG GLU A 15 -13.025 0.243 -11.410 1.00 0.00 C ATOM 368 CD GLU A 15 -12.487 -0.058 -12.796 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.249 -0.119 -12.951 1.00 0.00 O ATOM 370 OE2 GLU A 15 -13.304 -0.231 -13.725 1.00 0.00 O ATOM 0 H GLU A 15 -10.679 2.782 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.474 2.928 -11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.060 0.961 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.079 0.736 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.214 -0.694 -10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.982 0.757 -11.500 1.00 0.00 H new ATOM 377 N GLN A 16 -13.792 2.753 -8.606 1.00 0.00 N ATOM 378 CA GLN A 16 -15.023 2.952 -7.849 1.00 0.00 C ATOM 379 C GLN A 16 -15.443 4.418 -7.869 1.00 0.00 C ATOM 380 O GLN A 16 -16.629 4.735 -7.780 1.00 0.00 O ATOM 381 CB GLN A 16 -14.836 2.477 -6.405 1.00 0.00 C ATOM 382 CG GLN A 16 -15.672 1.257 -6.053 1.00 0.00 C ATOM 383 CD GLN A 16 -15.294 0.036 -6.870 1.00 0.00 C ATOM 384 OE1 GLN A 16 -14.311 0.050 -7.608 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.078 -1.028 -6.738 1.00 0.00 N ATOM 0 H GLN A 16 -12.969 2.572 -8.032 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.812 2.364 -8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.784 2.246 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.093 3.291 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.552 1.032 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.726 1.485 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.884 -0.994 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.874 -1.880 -7.261 1.00 0.00 H new ATOM 394 N THR A 17 -14.464 5.310 -7.985 1.00 0.00 N ATOM 395 CA THR A 17 -14.735 6.743 -8.017 1.00 0.00 C ATOM 396 C THR A 17 -14.925 7.244 -9.448 1.00 0.00 C ATOM 397 O THR A 17 -15.027 8.448 -9.683 1.00 0.00 O ATOM 398 CB THR A 17 -13.594 7.510 -7.345 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.384 7.043 -6.024 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.837 9.001 -7.271 1.00 0.00 C ATOM 0 H THR A 17 -13.476 5.066 -8.058 1.00 0.00 H new ATOM 0 HA THR A 17 -15.662 6.919 -7.471 1.00 0.00 H new ATOM 0 HB THR A 17 -12.719 7.331 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.847 6.224 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.990 9.484 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.952 9.401 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.744 9.194 -6.698 1.00 0.00 H new ATOM 408 N ALA A 18 -14.972 6.318 -10.403 1.00 0.00 N ATOM 409 CA ALA A 18 -15.151 6.678 -11.804 1.00 0.00 C ATOM 410 C ALA A 18 -16.616 6.960 -12.114 1.00 0.00 C ATOM 411 O ALA A 18 -17.512 6.310 -11.574 1.00 0.00 O ATOM 412 CB ALA A 18 -14.621 5.573 -12.705 1.00 0.00 C ATOM 0 H ALA A 18 -14.889 5.316 -10.231 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.584 7.589 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.761 5.856 -13.748 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.559 5.422 -12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.162 4.648 -12.504 1.00 0.00 H new ATOM 418 N GLY A 19 -16.856 7.932 -12.988 1.00 0.00 N ATOM 419 CA GLY A 19 -18.215 8.283 -13.355 1.00 0.00 C ATOM 420 C GLY A 19 -18.469 9.776 -13.282 1.00 0.00 C ATOM 421 O GLY A 19 -19.207 10.328 -14.099 1.00 0.00 O ATOM 0 H GLY A 19 -16.132 8.483 -13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.417 7.933 -14.367 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.911 7.767 -12.694 1.00 0.00 H new ATOM 425 N TYR A 20 -17.858 10.430 -12.301 1.00 0.00 N ATOM 426 CA TYR A 20 -18.020 11.868 -12.123 1.00 0.00 C ATOM 427 C TYR A 20 -17.322 12.638 -13.245 1.00 0.00 C ATOM 428 O TYR A 20 -16.146 12.403 -13.529 1.00 0.00 O ATOM 429 CB TYR A 20 -17.464 12.297 -10.762 1.00 0.00 C ATOM 430 CG TYR A 20 -18.069 11.542 -9.599 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.587 10.293 -9.229 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.125 12.079 -8.873 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.140 9.600 -8.169 1.00 0.00 C ATOM 434 CE2 TYR A 20 -19.683 11.393 -7.811 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.187 10.153 -7.463 1.00 0.00 C ATOM 436 OH TYR A 20 -19.741 9.466 -6.408 1.00 0.00 O ATOM 0 H TYR A 20 -17.245 9.987 -11.616 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.084 12.100 -12.161 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.384 12.151 -10.757 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -17.642 13.364 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.766 9.856 -9.779 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.516 13.049 -9.143 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.754 8.629 -7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.503 11.825 -7.256 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.183 8.690 -6.194 1.00 0.00 H new ATOM 446 N PRO A 21 -18.037 13.568 -13.906 1.00 0.00 N ATOM 447 CA PRO A 21 -17.477 14.364 -15.006 1.00 0.00 C ATOM 448 C PRO A 21 -16.427 15.363 -14.529 1.00 0.00 C ATOM 449 O PRO A 21 -16.644 16.574 -14.570 1.00 0.00 O ATOM 450 CB PRO A 21 -18.696 15.097 -15.572 1.00 0.00 C ATOM 451 CG PRO A 21 -19.655 15.171 -14.437 1.00 0.00 C ATOM 452 CD PRO A 21 -19.448 13.912 -13.639 1.00 0.00 C ATOM 0 HA PRO A 21 -16.961 13.740 -15.736 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.429 16.091 -15.930 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.124 14.558 -16.417 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.470 16.055 -13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.681 15.241 -14.797 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.628 14.075 -12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.123 13.118 -13.958 1.00 0.00 H new ATOM 460 N GLY A 22 -15.287 14.849 -14.081 1.00 0.00 N ATOM 461 CA GLY A 22 -14.222 15.711 -13.607 1.00 0.00 C ATOM 462 C GLY A 22 -13.497 15.125 -12.414 1.00 0.00 C ATOM 463 O GLY A 22 -13.126 15.846 -11.489 1.00 0.00 O ATOM 0 H GLY A 22 -15.082 13.851 -14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.510 15.882 -14.414 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.637 16.682 -13.336 1.00 0.00 H new ATOM 467 N VAL A 23 -13.297 13.811 -12.434 1.00 0.00 N ATOM 468 CA VAL A 23 -12.614 13.130 -11.346 1.00 0.00 C ATOM 469 C VAL A 23 -11.328 12.471 -11.829 1.00 0.00 C ATOM 470 O VAL A 23 -11.347 11.614 -12.713 1.00 0.00 O ATOM 471 CB VAL A 23 -13.521 12.063 -10.704 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.870 10.974 -11.708 1.00 0.00 C ATOM 473 CG2 VAL A 23 -12.857 11.468 -9.471 1.00 0.00 C ATOM 0 H VAL A 23 -13.599 13.199 -13.192 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.367 13.885 -10.600 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.448 12.545 -10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.511 10.232 -11.232 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.394 11.415 -12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.956 10.494 -12.056 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.513 10.716 -9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.912 11.004 -9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.670 12.257 -8.742 1.00 0.00 H new ATOM 483 N HIS A 24 -10.214 12.877 -11.237 1.00 0.00 N ATOM 484 CA HIS A 24 -8.910 12.332 -11.592 1.00 0.00 C ATOM 485 C HIS A 24 -8.238 11.707 -10.373 1.00 0.00 C ATOM 486 O HIS A 24 -7.240 12.221 -9.868 1.00 0.00 O ATOM 487 CB HIS A 24 -8.016 13.426 -12.181 1.00 0.00 C ATOM 488 CG HIS A 24 -6.913 12.898 -13.047 1.00 0.00 C ATOM 489 ND1 HIS A 24 -7.139 12.264 -14.251 1.00 0.00 N ATOM 490 CD2 HIS A 24 -5.569 12.912 -12.877 1.00 0.00 C ATOM 491 CE1 HIS A 24 -5.983 11.911 -14.785 1.00 0.00 C ATOM 492 NE2 HIS A 24 -5.016 12.294 -13.972 1.00 0.00 N ATOM 0 H HIS A 24 -10.187 13.586 -10.504 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.058 11.556 -12.343 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.631 14.110 -12.767 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.581 14.006 -11.367 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.033 13.331 -12.038 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.852 11.397 -15.726 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.018 12.154 -14.131 1.00 0.00 H new ATOM 501 N VAL A 25 -8.800 10.599 -9.901 1.00 0.00 N ATOM 502 CA VAL A 25 -8.265 9.905 -8.735 1.00 0.00 C ATOM 503 C VAL A 25 -6.953 9.199 -9.062 1.00 0.00 C ATOM 504 O VAL A 25 -6.952 8.058 -9.525 1.00 0.00 O ATOM 505 CB VAL A 25 -9.266 8.871 -8.189 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.782 8.308 -6.861 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.650 9.489 -8.043 1.00 0.00 C ATOM 0 H VAL A 25 -9.627 10.162 -10.309 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.084 10.665 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.335 8.049 -8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.503 7.579 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.816 7.824 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.681 9.117 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.343 8.742 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.601 10.331 -7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.998 9.837 -9.016 1.00 0.00 H new ATOM 517 N SER A 26 -5.840 9.879 -8.809 1.00 0.00 N ATOM 518 CA SER A 26 -4.522 9.312 -9.069 1.00 0.00 C ATOM 519 C SER A 26 -3.494 9.840 -8.072 1.00 0.00 C ATOM 520 O SER A 26 -2.290 9.794 -8.322 1.00 0.00 O ATOM 521 CB SER A 26 -4.076 9.631 -10.497 1.00 0.00 C ATOM 522 OG SER A 26 -5.070 9.259 -11.436 1.00 0.00 O ATOM 0 H SER A 26 -5.824 10.823 -8.424 1.00 0.00 H new ATOM 0 HA SER A 26 -4.592 8.231 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.867 10.697 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.147 9.105 -10.718 1.00 0.00 H new ATOM 0 HG SER A 26 -4.762 9.474 -12.341 1.00 0.00 H new ATOM 528 N ASP A 27 -3.980 10.336 -6.938 1.00 0.00 N ATOM 529 CA ASP A 27 -3.108 10.869 -5.899 1.00 0.00 C ATOM 530 C ASP A 27 -3.587 10.433 -4.518 1.00 0.00 C ATOM 531 O ASP A 27 -4.790 10.355 -4.265 1.00 0.00 O ATOM 532 CB ASP A 27 -3.059 12.396 -5.978 1.00 0.00 C ATOM 533 CG ASP A 27 -2.722 12.891 -7.371 1.00 0.00 C ATOM 534 OD1 ASP A 27 -3.656 13.061 -8.182 1.00 0.00 O ATOM 535 OD2 ASP A 27 -1.525 13.108 -7.651 1.00 0.00 O ATOM 0 H ASP A 27 -4.975 10.379 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.105 10.474 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.023 12.804 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.317 12.770 -5.273 1.00 0.00 H new ATOM 540 N LEU A 28 -2.645 10.143 -3.630 1.00 0.00 N ATOM 541 CA LEU A 28 -2.982 9.711 -2.279 1.00 0.00 C ATOM 542 C LEU A 28 -2.888 10.874 -1.296 1.00 0.00 C ATOM 543 O LEU A 28 -2.431 10.709 -0.165 1.00 0.00 O ATOM 544 CB LEU A 28 -2.056 8.575 -1.838 1.00 0.00 C ATOM 545 CG LEU A 28 -2.754 7.409 -1.132 1.00 0.00 C ATOM 546 CD1 LEU A 28 -2.120 6.086 -1.529 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.705 7.597 0.377 1.00 0.00 C ATOM 0 H LEU A 28 -1.644 10.199 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.010 9.349 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.535 8.190 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.298 8.983 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.799 7.392 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.630 5.270 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.208 5.949 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.067 6.089 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.205 6.760 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.666 7.640 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.208 8.526 0.644 1.00 0.00 H new ATOM 559 N SER A 29 -3.325 12.051 -1.734 1.00 0.00 N ATOM 560 CA SER A 29 -3.287 13.240 -0.888 1.00 0.00 C ATOM 561 C SER A 29 -4.086 14.385 -1.505 1.00 0.00 C ATOM 562 O SER A 29 -5.207 14.671 -1.085 1.00 0.00 O ATOM 563 CB SER A 29 -1.841 13.677 -0.655 1.00 0.00 C ATOM 564 OG SER A 29 -1.254 12.956 0.415 1.00 0.00 O ATOM 0 H SER A 29 -3.708 12.207 -2.666 1.00 0.00 H new ATOM 0 HA SER A 29 -3.743 12.985 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.260 13.521 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.812 14.745 -0.437 1.00 0.00 H new ATOM 0 HG SER A 29 -1.455 12.002 0.316 1.00 0.00 H new ATOM 570 N SER A 30 -3.499 15.044 -2.500 1.00 0.00 N ATOM 571 CA SER A 30 -4.148 16.167 -3.171 1.00 0.00 C ATOM 572 C SER A 30 -5.509 15.767 -3.733 1.00 0.00 C ATOM 573 O SER A 30 -6.464 16.541 -3.682 1.00 0.00 O ATOM 574 CB SER A 30 -3.258 16.696 -4.297 1.00 0.00 C ATOM 575 OG SER A 30 -2.008 17.136 -3.793 1.00 0.00 O ATOM 0 H SER A 30 -2.572 14.819 -2.861 1.00 0.00 H new ATOM 0 HA SER A 30 -4.302 16.953 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.100 15.913 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.759 17.520 -4.805 1.00 0.00 H new ATOM 0 HG SER A 30 -1.456 17.468 -4.532 1.00 0.00 H new ATOM 581 N SER A 31 -5.591 14.556 -4.274 1.00 0.00 N ATOM 582 CA SER A 31 -6.834 14.055 -4.853 1.00 0.00 C ATOM 583 C SER A 31 -7.982 14.115 -3.847 1.00 0.00 C ATOM 584 O SER A 31 -9.151 14.167 -4.232 1.00 0.00 O ATOM 585 CB SER A 31 -6.645 12.621 -5.348 1.00 0.00 C ATOM 586 OG SER A 31 -6.530 12.579 -6.760 1.00 0.00 O ATOM 0 H SER A 31 -4.810 13.902 -4.324 1.00 0.00 H new ATOM 0 HA SER A 31 -7.092 14.696 -5.696 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.752 12.191 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.489 12.009 -5.031 1.00 0.00 H new ATOM 0 HG SER A 31 -7.422 12.633 -7.163 1.00 0.00 H new ATOM 592 N TRP A 32 -7.646 14.106 -2.561 1.00 0.00 N ATOM 593 CA TRP A 32 -8.657 14.158 -1.509 1.00 0.00 C ATOM 594 C TRP A 32 -8.760 15.558 -0.905 1.00 0.00 C ATOM 595 O TRP A 32 -9.346 15.741 0.162 1.00 0.00 O ATOM 596 CB TRP A 32 -8.329 13.143 -0.412 1.00 0.00 C ATOM 597 CG TRP A 32 -8.016 11.777 -0.941 1.00 0.00 C ATOM 598 CD1 TRP A 32 -7.002 11.439 -1.790 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.723 10.564 -0.659 1.00 0.00 C ATOM 600 NE1 TRP A 32 -7.034 10.091 -2.052 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.082 9.532 -1.370 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.836 10.250 0.127 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.517 8.210 -1.319 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.267 8.937 0.178 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.608 7.931 -0.541 1.00 0.00 C ATOM 0 H TRP A 32 -6.685 14.063 -2.222 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.619 13.909 -1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.478 13.505 0.165 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.173 13.074 0.274 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.279 12.131 -2.197 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.384 9.588 -2.656 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.350 11.019 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.012 7.433 -1.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.126 8.683 0.782 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.968 6.915 -0.480 1.00 0.00 H new ATOM 616 N ALA A 33 -8.185 16.544 -1.589 1.00 0.00 N ATOM 617 CA ALA A 33 -8.212 17.921 -1.114 1.00 0.00 C ATOM 618 C ALA A 33 -9.642 18.427 -0.954 1.00 0.00 C ATOM 619 O ALA A 33 -10.024 18.905 0.115 1.00 0.00 O ATOM 620 CB ALA A 33 -7.436 18.822 -2.064 1.00 0.00 C ATOM 0 H ALA A 33 -7.695 16.413 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.737 17.946 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.464 19.848 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.401 18.485 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.886 18.779 -3.056 1.00 0.00 H new ATOM 626 N ASP A 34 -10.430 18.323 -2.020 1.00 0.00 N ATOM 627 CA ASP A 34 -11.818 18.776 -1.990 1.00 0.00 C ATOM 628 C ASP A 34 -12.757 17.675 -1.500 1.00 0.00 C ATOM 629 O ASP A 34 -13.978 17.812 -1.580 1.00 0.00 O ATOM 630 CB ASP A 34 -12.253 19.253 -3.378 1.00 0.00 C ATOM 631 CG ASP A 34 -11.937 18.242 -4.463 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.715 17.061 -4.127 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.911 18.634 -5.648 1.00 0.00 O ATOM 0 H ASP A 34 -10.133 17.930 -2.913 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.878 19.608 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.325 19.452 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.756 20.195 -3.608 1.00 0.00 H new ATOM 638 N GLY A 35 -12.190 16.585 -0.990 1.00 0.00 N ATOM 639 CA GLY A 35 -13.003 15.489 -0.496 1.00 0.00 C ATOM 640 C GLY A 35 -13.787 14.800 -1.596 1.00 0.00 C ATOM 641 O GLY A 35 -14.882 14.289 -1.358 1.00 0.00 O ATOM 0 H GLY A 35 -11.183 16.442 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.361 14.760 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.695 15.866 0.257 1.00 0.00 H new ATOM 645 N LEU A 36 -13.229 14.787 -2.802 1.00 0.00 N ATOM 646 CA LEU A 36 -13.888 14.155 -3.939 1.00 0.00 C ATOM 647 C LEU A 36 -13.816 12.635 -3.834 1.00 0.00 C ATOM 648 O LEU A 36 -14.737 11.931 -4.245 1.00 0.00 O ATOM 649 CB LEU A 36 -13.248 14.623 -5.248 1.00 0.00 C ATOM 650 CG LEU A 36 -14.070 15.641 -6.043 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.297 14.979 -6.647 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.473 16.813 -5.156 1.00 0.00 C ATOM 0 H LEU A 36 -12.324 15.206 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.937 14.449 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.275 15.060 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.068 13.752 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.452 16.024 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.869 15.717 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.985 14.176 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.918 14.568 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.056 17.526 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.073 16.449 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.578 17.304 -4.773 1.00 0.00 H new ATOM 664 N ALA A 37 -12.715 12.136 -3.283 1.00 0.00 N ATOM 665 CA ALA A 37 -12.522 10.699 -3.127 1.00 0.00 C ATOM 666 C ALA A 37 -13.482 10.121 -2.091 1.00 0.00 C ATOM 667 O ALA A 37 -14.119 9.092 -2.327 1.00 0.00 O ATOM 668 CB ALA A 37 -11.083 10.400 -2.736 1.00 0.00 C ATOM 0 H ALA A 37 -11.943 12.705 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.736 10.225 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.953 9.324 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.411 10.767 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.852 10.895 -1.793 1.00 0.00 H new ATOM 674 N LEU A 38 -13.580 10.784 -0.945 1.00 0.00 N ATOM 675 CA LEU A 38 -14.459 10.334 0.128 1.00 0.00 C ATOM 676 C LEU A 38 -15.927 10.494 -0.258 1.00 0.00 C ATOM 677 O LEU A 38 -16.734 9.586 -0.058 1.00 0.00 O ATOM 678 CB LEU A 38 -14.172 11.116 1.412 1.00 0.00 C ATOM 679 CG LEU A 38 -12.722 11.045 1.900 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.068 12.419 1.844 1.00 0.00 C ATOM 681 CD2 LEU A 38 -12.657 10.481 3.313 1.00 0.00 C ATOM 0 H LEU A 38 -13.061 11.636 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.263 9.276 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.435 12.161 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.824 10.742 2.201 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.173 10.376 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.039 12.347 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.077 12.784 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.620 13.111 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.618 10.439 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.224 11.122 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.082 9.477 3.324 1.00 0.00 H new ATOM 693 N CYS A 39 -16.267 11.653 -0.811 1.00 0.00 N ATOM 694 CA CYS A 39 -17.639 11.929 -1.223 1.00 0.00 C ATOM 695 C CYS A 39 -18.057 11.026 -2.380 1.00 0.00 C ATOM 696 O CYS A 39 -19.167 10.494 -2.394 1.00 0.00 O ATOM 697 CB CYS A 39 -17.788 13.397 -1.624 1.00 0.00 C ATOM 698 SG CYS A 39 -17.575 14.560 -0.257 1.00 0.00 S ATOM 0 H CYS A 39 -15.613 12.416 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.293 11.723 -0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.057 13.627 -2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.775 13.545 -2.062 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.319 14.879 -0.151 1.00 0.00 H new ATOM 704 N ALA A 40 -17.162 10.857 -3.348 1.00 0.00 N ATOM 705 CA ALA A 40 -17.440 10.018 -4.510 1.00 0.00 C ATOM 706 C ALA A 40 -17.803 8.596 -4.089 1.00 0.00 C ATOM 707 O ALA A 40 -18.766 8.016 -4.590 1.00 0.00 O ATOM 708 CB ALA A 40 -16.243 9.999 -5.446 1.00 0.00 C ATOM 0 H ALA A 40 -16.238 11.289 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.294 10.444 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.465 9.369 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.029 11.013 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.376 9.601 -4.919 1.00 0.00 H new ATOM 714 N LEU A 41 -17.022 8.038 -3.168 1.00 0.00 N ATOM 715 CA LEU A 41 -17.259 6.683 -2.683 1.00 0.00 C ATOM 716 C LEU A 41 -18.595 6.585 -1.954 1.00 0.00 C ATOM 717 O LEU A 41 -19.406 5.705 -2.240 1.00 0.00 O ATOM 718 CB LEU A 41 -16.125 6.246 -1.750 1.00 0.00 C ATOM 719 CG LEU A 41 -14.804 5.920 -2.447 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.638 6.089 -1.486 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.833 4.507 -3.009 1.00 0.00 C ATOM 0 H LEU A 41 -16.220 8.504 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.289 6.019 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.948 7.038 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.451 5.368 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.670 6.617 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.706 5.853 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.606 7.119 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.765 5.417 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.885 4.292 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.990 3.796 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.645 4.419 -3.731 1.00 0.00 H new ATOM 733 N VAL A 42 -18.817 7.495 -1.010 1.00 0.00 N ATOM 734 CA VAL A 42 -20.055 7.507 -0.239 1.00 0.00 C ATOM 735 C VAL A 42 -21.273 7.652 -1.146 1.00 0.00 C ATOM 736 O VAL A 42 -22.305 7.024 -0.916 1.00 0.00 O ATOM 737 CB VAL A 42 -20.061 8.651 0.794 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.272 8.537 1.709 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.771 8.650 1.603 1.00 0.00 C ATOM 0 H VAL A 42 -18.157 8.232 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.109 6.552 0.283 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.125 9.598 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.260 9.353 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.184 8.593 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.241 7.584 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.795 9.465 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.672 7.700 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.921 8.784 0.933 1.00 0.00 H new ATOM 749 N TYR A 43 -21.146 8.483 -2.175 1.00 0.00 N ATOM 750 CA TYR A 43 -22.240 8.711 -3.113 1.00 0.00 C ATOM 751 C TYR A 43 -22.501 7.471 -3.962 1.00 0.00 C ATOM 752 O TYR A 43 -23.651 7.119 -4.228 1.00 0.00 O ATOM 753 CB TYR A 43 -21.925 9.903 -4.017 1.00 0.00 C ATOM 754 CG TYR A 43 -23.031 10.230 -4.995 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.218 10.807 -4.562 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.887 9.960 -6.351 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.231 11.108 -5.455 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.896 10.257 -7.248 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.064 10.829 -6.795 1.00 0.00 C ATOM 760 OH TYR A 43 -26.071 11.127 -7.686 1.00 0.00 O ATOM 0 H TYR A 43 -20.297 9.010 -2.381 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.138 8.928 -2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.730 10.778 -3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.010 9.696 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.352 11.024 -3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -21.972 9.511 -6.709 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -26.148 11.559 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -23.769 10.042 -8.299 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.795 10.869 -8.590 1.00 0.00 H new ATOM 770 N ARG A 44 -21.427 6.812 -4.387 1.00 0.00 N ATOM 771 CA ARG A 44 -21.543 5.612 -5.209 1.00 0.00 C ATOM 772 C ARG A 44 -22.256 4.497 -4.452 1.00 0.00 C ATOM 773 O ARG A 44 -22.937 3.664 -5.050 1.00 0.00 O ATOM 774 CB ARG A 44 -20.159 5.138 -5.653 1.00 0.00 C ATOM 775 CG ARG A 44 -20.170 4.375 -6.967 1.00 0.00 C ATOM 776 CD ARG A 44 -19.824 5.280 -8.139 1.00 0.00 C ATOM 777 NE ARG A 44 -20.185 4.676 -9.421 1.00 0.00 N ATOM 778 CZ ARG A 44 -21.421 4.666 -9.913 1.00 0.00 C ATOM 779 NH1 ARG A 44 -22.419 5.221 -9.237 1.00 0.00 N ATOM 780 NH2 ARG A 44 -21.662 4.098 -11.088 1.00 0.00 N ATOM 0 H ARG A 44 -20.468 7.088 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.135 5.863 -6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.502 6.002 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -19.736 4.501 -4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.456 3.553 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -21.154 3.934 -7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -20.343 6.232 -8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.756 5.496 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.446 4.237 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -22.241 5.659 -8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -23.364 5.209 -9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.900 3.669 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.609 4.090 -11.466 1.00 0.00 H new ATOM 794 N LEU A 45 -22.093 4.486 -3.133 1.00 0.00 N ATOM 795 CA LEU A 45 -22.722 3.472 -2.294 1.00 0.00 C ATOM 796 C LEU A 45 -24.069 3.958 -1.770 1.00 0.00 C ATOM 797 O LEU A 45 -25.080 3.265 -1.889 1.00 0.00 O ATOM 798 CB LEU A 45 -21.802 3.108 -1.127 1.00 0.00 C ATOM 799 CG LEU A 45 -20.327 2.938 -1.497 1.00 0.00 C ATOM 800 CD1 LEU A 45 -19.428 3.355 -0.341 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.046 1.500 -1.908 1.00 0.00 C ATOM 0 H LEU A 45 -21.531 5.167 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 45 -22.893 2.584 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.883 3.883 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.158 2.181 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.108 3.587 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -18.384 3.226 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -19.610 4.402 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -19.645 2.737 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.993 1.395 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.283 0.832 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -20.660 1.241 -2.771 1.00 0.00 H new ATOM 813 N GLN A 46 -24.076 5.157 -1.196 1.00 0.00 N ATOM 814 CA GLN A 46 -25.300 5.743 -0.660 1.00 0.00 C ATOM 815 C GLN A 46 -25.599 7.073 -1.343 1.00 0.00 C ATOM 816 O GLN A 46 -25.537 8.131 -0.721 1.00 0.00 O ATOM 817 CB GLN A 46 -25.178 5.940 0.853 1.00 0.00 C ATOM 818 CG GLN A 46 -23.945 6.727 1.268 1.00 0.00 C ATOM 819 CD GLN A 46 -24.023 7.221 2.701 1.00 0.00 C ATOM 820 OE1 GLN A 46 -23.295 6.747 3.573 1.00 0.00 O ATOM 821 NE2 GLN A 46 -24.909 8.177 2.949 1.00 0.00 N ATOM 0 H GLN A 46 -23.247 5.742 -1.090 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.125 5.059 -0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -26.067 6.456 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -25.155 4.964 1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -23.062 6.099 1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -23.821 7.579 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -25.492 8.540 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -25.007 8.549 3.894 1.00 0.00 H new ATOM 830 N PRO A 47 -25.934 7.031 -2.645 1.00 0.00 N ATOM 831 CA PRO A 47 -26.247 8.236 -3.419 1.00 0.00 C ATOM 832 C PRO A 47 -27.548 8.884 -2.969 1.00 0.00 C ATOM 833 O PRO A 47 -27.730 10.095 -3.100 1.00 0.00 O ATOM 834 CB PRO A 47 -26.370 7.721 -4.855 1.00 0.00 C ATOM 835 CG PRO A 47 -26.710 6.277 -4.717 1.00 0.00 C ATOM 836 CD PRO A 47 -26.037 5.807 -3.458 1.00 0.00 C ATOM 0 HA PRO A 47 -25.487 9.008 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.144 8.259 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.438 7.857 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.789 6.135 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.361 5.710 -5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -26.622 5.038 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.056 5.378 -3.663 1.00 0.00 H new ATOM 844 N GLY A 48 -28.450 8.071 -2.430 1.00 0.00 N ATOM 845 CA GLY A 48 -29.722 8.583 -1.961 1.00 0.00 C ATOM 846 C GLY A 48 -29.580 9.430 -0.710 1.00 0.00 C ATOM 847 O GLY A 48 -30.499 10.164 -0.343 1.00 0.00 O ATOM 0 H GLY A 48 -28.322 7.066 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.183 9.178 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.393 7.749 -1.757 1.00 0.00 H new ATOM 851 N LEU A 49 -28.428 9.330 -0.050 1.00 0.00 N ATOM 852 CA LEU A 49 -28.182 10.096 1.168 1.00 0.00 C ATOM 853 C LEU A 49 -26.848 10.835 1.095 1.00 0.00 C ATOM 854 O LEU A 49 -26.162 10.995 2.105 1.00 0.00 O ATOM 855 CB LEU A 49 -28.199 9.170 2.386 1.00 0.00 C ATOM 856 CG LEU A 49 -29.536 8.475 2.651 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.432 7.559 3.859 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.639 9.502 2.850 1.00 0.00 C ATOM 0 H LEU A 49 -27.655 8.730 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 49 -28.977 10.835 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.430 8.408 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.927 9.750 3.268 1.00 0.00 H new ATOM 0 HG LEU A 49 -29.786 7.866 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.393 7.074 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -28.670 6.801 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.158 8.144 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.583 8.990 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -30.395 10.137 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.731 10.116 1.954 1.00 0.00 H new ATOM 870 N LEU A 50 -26.485 11.285 -0.103 1.00 0.00 N ATOM 871 CA LEU A 50 -25.233 12.007 -0.297 1.00 0.00 C ATOM 872 C LEU A 50 -25.356 13.030 -1.423 1.00 0.00 C ATOM 873 O LEU A 50 -26.226 12.919 -2.288 1.00 0.00 O ATOM 874 CB LEU A 50 -24.098 11.027 -0.606 1.00 0.00 C ATOM 875 CG LEU A 50 -22.898 11.100 0.341 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.159 12.418 0.168 1.00 0.00 C ATOM 877 CD2 LEU A 50 -23.340 10.918 1.785 1.00 0.00 C ATOM 0 H LEU A 50 -27.039 11.163 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.006 12.539 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.498 10.013 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.750 11.208 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.215 10.289 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.309 12.451 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.804 12.504 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.834 13.245 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.471 10.973 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -24.046 11.704 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -23.819 9.946 1.899 1.00 0.00 H new ATOM 889 N GLU A 51 -24.473 14.022 -1.405 1.00 0.00 N ATOM 890 CA GLU A 51 -24.466 15.067 -2.420 1.00 0.00 C ATOM 891 C GLU A 51 -23.041 15.564 -2.659 1.00 0.00 C ATOM 892 O GLU A 51 -22.688 16.680 -2.275 1.00 0.00 O ATOM 893 CB GLU A 51 -25.367 16.229 -1.996 1.00 0.00 C ATOM 894 CG GLU A 51 -26.845 15.968 -2.237 1.00 0.00 C ATOM 895 CD GLU A 51 -27.727 17.088 -1.720 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.737 18.171 -2.340 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.408 16.881 -0.693 1.00 0.00 O ATOM 0 H GLU A 51 -23.749 14.124 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.852 14.649 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.210 16.433 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.071 17.126 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.018 15.838 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.129 15.034 -1.752 1.00 0.00 H new ATOM 904 N PRO A 52 -22.199 14.732 -3.294 1.00 0.00 N ATOM 905 CA PRO A 52 -20.803 15.078 -3.583 1.00 0.00 C ATOM 906 C PRO A 52 -20.672 16.364 -4.387 1.00 0.00 C ATOM 907 O PRO A 52 -19.858 17.227 -4.063 1.00 0.00 O ATOM 908 CB PRO A 52 -20.286 13.883 -4.399 1.00 0.00 C ATOM 909 CG PRO A 52 -21.508 13.156 -4.849 1.00 0.00 C ATOM 910 CD PRO A 52 -22.537 13.386 -3.783 1.00 0.00 C ATOM 0 HA PRO A 52 -20.241 15.257 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.691 14.215 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.647 13.240 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.853 13.531 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.306 12.092 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.550 13.343 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.474 12.640 -2.991 1.00 0.00 H new ATOM 918 N SER A 53 -21.472 16.486 -5.440 1.00 0.00 N ATOM 919 CA SER A 53 -21.436 17.670 -6.295 1.00 0.00 C ATOM 920 C SER A 53 -21.614 18.947 -5.479 1.00 0.00 C ATOM 921 O SER A 53 -21.073 19.998 -5.828 1.00 0.00 O ATOM 922 CB SER A 53 -22.526 17.581 -7.364 1.00 0.00 C ATOM 923 OG SER A 53 -23.656 16.873 -6.885 1.00 0.00 O ATOM 0 H SER A 53 -22.153 15.781 -5.723 1.00 0.00 H new ATOM 0 HA SER A 53 -20.459 17.706 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 53 -22.824 18.584 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.131 17.084 -8.250 1.00 0.00 H new ATOM 0 HG SER A 53 -24.338 16.832 -7.587 1.00 0.00 H new ATOM 929 N GLU A 54 -22.378 18.855 -4.395 1.00 0.00 N ATOM 930 CA GLU A 54 -22.628 20.007 -3.536 1.00 0.00 C ATOM 931 C GLU A 54 -21.383 20.392 -2.739 1.00 0.00 C ATOM 932 O GLU A 54 -20.986 21.554 -2.718 1.00 0.00 O ATOM 933 CB GLU A 54 -23.785 19.711 -2.581 1.00 0.00 C ATOM 934 CG GLU A 54 -24.191 20.902 -1.728 1.00 0.00 C ATOM 935 CD GLU A 54 -25.343 20.585 -0.796 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.273 19.867 -1.222 1.00 0.00 O ATOM 937 OE2 GLU A 54 -25.316 21.054 0.362 1.00 0.00 O ATOM 0 H GLU A 54 -22.834 17.995 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.892 20.848 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.647 19.379 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.503 18.886 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.334 21.233 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.472 21.731 -2.378 1.00 0.00 H new ATOM 944 N LEU A 55 -20.778 19.410 -2.080 1.00 0.00 N ATOM 945 CA LEU A 55 -19.584 19.644 -1.270 1.00 0.00 C ATOM 946 C LEU A 55 -18.308 19.616 -2.112 1.00 0.00 C ATOM 947 O LEU A 55 -17.229 19.950 -1.625 1.00 0.00 O ATOM 948 CB LEU A 55 -19.492 18.600 -0.156 1.00 0.00 C ATOM 949 CG LEU A 55 -20.482 18.791 0.994 1.00 0.00 C ATOM 950 CD1 LEU A 55 -20.372 20.194 1.568 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.903 18.515 0.523 1.00 0.00 C ATOM 0 H LEU A 55 -21.095 18.440 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.674 20.639 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.649 17.613 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.480 18.612 0.250 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.235 18.080 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.084 20.310 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.361 20.356 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.591 20.924 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.595 18.655 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -22.159 19.203 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.974 17.489 0.161 1.00 0.00 H new ATOM 963 N GLN A 56 -18.433 19.199 -3.367 1.00 0.00 N ATOM 964 CA GLN A 56 -17.284 19.107 -4.261 1.00 0.00 C ATOM 965 C GLN A 56 -16.615 20.462 -4.467 1.00 0.00 C ATOM 966 O GLN A 56 -15.390 20.547 -4.561 1.00 0.00 O ATOM 967 CB GLN A 56 -17.716 18.531 -5.612 1.00 0.00 C ATOM 968 CG GLN A 56 -16.581 18.401 -6.614 1.00 0.00 C ATOM 969 CD GLN A 56 -16.941 18.954 -7.981 1.00 0.00 C ATOM 970 OE1 GLN A 56 -18.091 19.312 -8.234 1.00 0.00 O ATOM 971 NE2 GLN A 56 -15.956 19.027 -8.868 1.00 0.00 N ATOM 0 H GLN A 56 -19.319 18.919 -3.789 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.556 18.444 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.161 17.549 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.492 19.168 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.704 18.925 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.307 17.351 -6.712 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.017 18.719 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.138 19.392 -9.803 1.00 0.00 H new ATOM 980 N GLY A 57 -17.417 21.515 -4.544 1.00 0.00 N ATOM 981 CA GLY A 57 -16.865 22.843 -4.748 1.00 0.00 C ATOM 982 C GLY A 57 -17.130 23.778 -3.584 1.00 0.00 C ATOM 983 O GLY A 57 -16.375 24.725 -3.359 1.00 0.00 O ATOM 0 H GLY A 57 -18.434 21.476 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.789 22.763 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.290 23.272 -5.656 1.00 0.00 H new ATOM 987 N LEU A 58 -18.203 23.518 -2.843 1.00 0.00 N ATOM 988 CA LEU A 58 -18.562 24.349 -1.699 1.00 0.00 C ATOM 989 C LEU A 58 -17.371 24.553 -0.768 1.00 0.00 C ATOM 990 O LEU A 58 -17.217 25.616 -0.166 1.00 0.00 O ATOM 991 CB LEU A 58 -19.724 23.719 -0.932 1.00 0.00 C ATOM 992 CG LEU A 58 -21.062 24.434 -1.105 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.658 24.135 -2.472 1.00 0.00 C ATOM 994 CD2 LEU A 58 -22.027 24.039 0.002 1.00 0.00 C ATOM 0 H LEU A 58 -18.839 22.739 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.869 25.325 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.836 22.684 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.473 23.697 0.128 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.888 25.508 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.611 24.654 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.974 24.475 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.817 23.061 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.975 24.559 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.196 22.963 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.603 24.312 0.969 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.532 23.531 -0.654 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.368 23.625 0.207 1.00 0.00 C ATOM 1008 C GLY A 59 -14.694 22.286 0.428 1.00 0.00 C ATOM 1009 O GLY A 59 -15.346 21.242 0.404 1.00 0.00 O ATOM 0 H GLY A 59 -16.636 22.641 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.652 24.320 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.666 24.040 1.170 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.385 22.318 0.652 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.619 21.100 0.884 1.00 0.00 C ATOM 1015 C ALA A 60 -12.830 20.584 2.303 1.00 0.00 C ATOM 1016 O ALA A 60 -13.286 19.458 2.503 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.141 21.350 0.626 1.00 0.00 C ATOM 0 H ALA A 60 -12.832 23.175 0.678 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.974 20.338 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.580 20.432 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.001 21.667 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.781 22.130 1.297 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.499 21.416 3.284 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.655 21.047 4.686 1.00 0.00 C ATOM 1025 C LEU A 61 -14.107 20.709 4.999 1.00 0.00 C ATOM 1026 O LEU A 61 -14.390 19.797 5.775 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.178 22.185 5.591 1.00 0.00 C ATOM 1028 CG LEU A 61 -10.779 22.720 5.276 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.725 24.227 5.476 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -9.737 22.029 6.143 1.00 0.00 C ATOM 0 H LEU A 61 -12.121 22.351 3.134 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.045 20.163 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.889 23.008 5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.194 21.838 6.624 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.556 22.505 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.723 24.589 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.444 24.708 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.969 24.466 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.748 22.421 5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.958 22.213 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.757 20.956 5.951 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.025 21.452 4.390 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.451 21.233 4.602 1.00 0.00 C ATOM 1044 C GLU A 62 -16.891 19.894 4.015 1.00 0.00 C ATOM 1045 O GLU A 62 -17.690 19.176 4.616 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.263 22.370 3.976 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.753 23.395 4.986 1.00 0.00 C ATOM 1048 CD GLU A 62 -16.628 24.245 5.545 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -15.573 24.343 4.884 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -16.803 24.814 6.643 1.00 0.00 O ATOM 0 H GLU A 62 -14.807 22.212 3.745 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.633 21.215 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.651 22.873 3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.121 21.948 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.492 24.042 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.257 22.881 5.805 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.365 19.566 2.841 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.704 18.315 2.174 1.00 0.00 C ATOM 1059 C ALA A 63 -16.245 17.114 2.994 1.00 0.00 C ATOM 1060 O ALA A 63 -16.973 16.130 3.132 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.086 18.272 0.785 1.00 0.00 C ATOM 0 H ALA A 63 -15.702 20.149 2.331 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.789 18.266 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.348 17.332 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.465 19.105 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.002 18.349 0.867 1.00 0.00 H new ATOM 1067 N THR A 64 -15.037 17.201 3.537 1.00 0.00 N ATOM 1068 CA THR A 64 -14.483 16.120 4.344 1.00 0.00 C ATOM 1069 C THR A 64 -15.288 15.927 5.625 1.00 0.00 C ATOM 1070 O THR A 64 -15.636 14.803 5.989 1.00 0.00 O ATOM 1071 CB THR A 64 -13.021 16.413 4.689 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.454 17.307 3.748 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.155 15.172 4.723 1.00 0.00 C ATOM 0 H THR A 64 -14.422 18.008 3.434 1.00 0.00 H new ATOM 0 HA THR A 64 -14.537 15.201 3.760 1.00 0.00 H new ATOM 0 HB THR A 64 -13.041 16.850 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.880 17.951 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.131 15.450 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.538 14.482 5.475 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.172 14.690 3.746 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.580 17.030 6.305 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.342 16.983 7.547 1.00 0.00 C ATOM 1083 C ALA A 65 -17.774 16.517 7.304 1.00 0.00 C ATOM 1084 O ALA A 65 -18.306 15.701 8.057 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.339 18.348 8.219 1.00 0.00 C ATOM 0 H ALA A 65 -15.300 17.968 6.017 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.862 16.260 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.912 18.299 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.313 18.642 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.790 19.083 7.552 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.394 17.038 6.250 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.767 16.673 5.914 1.00 0.00 C ATOM 1093 C TRP A 66 -19.861 15.202 5.522 1.00 0.00 C ATOM 1094 O TRP A 66 -20.707 14.466 6.032 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.286 17.549 4.773 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.766 17.784 4.831 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.410 18.795 5.483 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.786 16.990 4.212 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.768 18.679 5.309 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.023 17.579 4.533 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.773 15.840 3.420 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.235 17.056 4.087 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.976 15.320 2.978 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.192 15.929 3.313 1.00 0.00 C ATOM 0 H TRP A 66 -17.969 17.713 5.614 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.384 16.835 6.798 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.771 18.510 4.799 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.037 17.079 3.821 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -21.923 19.573 6.053 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.471 19.309 5.695 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.840 15.365 3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.174 17.523 4.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.978 14.431 2.365 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.115 15.500 2.953 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.989 14.779 4.613 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.978 13.396 4.152 1.00 0.00 C ATOM 1117 C ALA A 67 -18.612 12.440 5.282 1.00 0.00 C ATOM 1118 O ALA A 67 -19.176 11.353 5.396 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.008 13.236 2.990 1.00 0.00 C ATOM 0 H ALA A 67 -18.281 15.374 4.181 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.983 13.146 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.009 12.199 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.315 13.883 2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.004 13.512 3.313 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.660 12.852 6.113 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.216 12.031 7.234 1.00 0.00 C ATOM 1127 C LEU A 68 -18.332 11.847 8.258 1.00 0.00 C ATOM 1128 O LEU A 68 -18.559 10.741 8.747 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.994 12.662 7.902 1.00 0.00 C ATOM 1130 CG LEU A 68 -15.295 11.780 8.939 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -14.225 10.927 8.278 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.692 12.634 10.045 1.00 0.00 C ATOM 0 H LEU A 68 -17.181 13.749 6.031 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.945 11.050 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.273 12.928 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.301 13.590 8.384 1.00 0.00 H new ATOM 0 HG LEU A 68 -16.036 11.116 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.738 10.306 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.684 10.289 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.485 11.573 7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -14.199 11.991 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.963 13.322 9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.481 13.202 10.538 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.021 12.937 8.581 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.108 12.893 9.554 1.00 0.00 C ATOM 1146 C LYS A 69 -21.270 12.045 9.043 1.00 0.00 C ATOM 1147 O LYS A 69 -21.784 11.183 9.756 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.593 14.310 9.872 1.00 0.00 C ATOM 1149 CG LYS A 69 -20.759 14.578 11.359 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.224 14.593 11.771 1.00 0.00 C ATOM 1151 CE LYS A 69 -22.572 15.851 12.550 1.00 0.00 C ATOM 1152 NZ LYS A 69 -24.027 15.927 12.863 1.00 0.00 N ATOM 0 H LYS A 69 -18.847 13.860 8.184 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.725 12.434 10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.885 15.028 9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.547 14.479 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -20.230 13.813 11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -20.301 15.535 11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.853 14.528 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.441 13.715 12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -22.000 15.874 13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.279 16.728 11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -24.223 16.799 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -24.573 15.931 11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -24.302 15.104 13.435 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.681 12.294 7.805 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.781 11.549 7.205 1.00 0.00 C ATOM 1168 C VAL A 70 -22.389 10.099 6.953 1.00 0.00 C ATOM 1169 O VAL A 70 -23.163 9.183 7.224 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.241 12.186 5.879 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.781 13.588 6.119 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -22.101 12.213 4.873 1.00 0.00 C ATOM 0 H VAL A 70 -21.270 13.004 7.199 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.607 11.581 7.916 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.045 11.576 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.101 14.022 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.630 13.539 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.999 14.209 6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.446 12.666 3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.274 12.797 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.765 11.195 4.677 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.179 9.895 6.440 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.689 8.551 6.162 1.00 0.00 C ATOM 1184 C ALA A 71 -20.755 7.687 7.415 1.00 0.00 C ATOM 1185 O ALA A 71 -21.224 6.550 7.376 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.265 8.606 5.628 1.00 0.00 C ATOM 0 H ALA A 71 -20.523 10.641 6.209 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.328 8.102 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.913 7.594 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.244 9.189 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.617 9.074 6.369 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.294 8.245 8.529 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.313 7.540 9.802 1.00 0.00 C ATOM 1194 C GLU A 72 -21.743 7.385 10.308 1.00 0.00 C ATOM 1195 O GLU A 72 -22.098 6.368 10.900 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.459 8.276 10.840 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.027 9.623 11.261 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.353 10.174 12.502 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -19.141 9.398 13.457 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -19.038 11.383 12.519 1.00 0.00 O ATOM 0 H GLU A 72 -19.902 9.186 8.574 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.890 6.547 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.353 7.645 11.723 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.459 8.425 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.912 10.334 10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.096 9.521 11.447 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.557 8.410 10.079 1.00 0.00 N ATOM 1208 CA ASN A 73 -23.947 8.399 10.517 1.00 0.00 C ATOM 1209 C ASN A 73 -24.778 7.398 9.716 1.00 0.00 C ATOM 1210 O ASN A 73 -25.626 6.698 10.272 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.551 9.799 10.386 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.582 10.541 11.707 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -23.921 10.149 12.668 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -25.353 11.621 11.760 1.00 0.00 N ATOM 0 H ASN A 73 -22.277 9.261 9.591 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.964 8.092 11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.973 10.375 9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.565 9.719 9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -25.414 12.162 12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -25.884 11.909 10.938 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.545 7.348 8.410 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.285 6.445 7.534 1.00 0.00 C ATOM 1223 C GLU A 74 -24.734 5.020 7.575 1.00 0.00 C ATOM 1224 O GLU A 74 -25.498 4.055 7.595 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.259 6.973 6.096 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.605 7.487 5.612 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.948 8.849 6.185 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -26.230 9.822 5.872 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.934 8.943 6.945 1.00 0.00 O ATOM 0 H GLU A 74 -23.850 7.922 7.933 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.313 6.409 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.526 7.777 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.923 6.177 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.598 7.546 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.383 6.774 5.887 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.411 4.889 7.568 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.778 3.573 7.583 1.00 0.00 C ATOM 1238 C LEU A 75 -22.505 3.089 9.005 1.00 0.00 C ATOM 1239 O LEU A 75 -22.576 1.892 9.284 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.472 3.606 6.785 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.169 2.334 5.989 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.896 1.169 6.927 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -22.319 2.006 5.049 1.00 0.00 C ATOM 0 H LEU A 75 -22.759 5.673 7.552 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.471 2.871 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.506 4.449 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.647 3.791 7.473 1.00 0.00 H new ATOM 0 HG LEU A 75 -20.275 2.508 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.683 0.274 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.039 1.403 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -21.771 0.994 7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -22.086 1.099 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -23.230 1.852 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.467 2.832 4.353 1.00 0.00 H new ATOM 1255 N GLY A 76 -22.190 4.019 9.898 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.909 3.654 11.277 1.00 0.00 C ATOM 1257 C GLY A 76 -20.431 3.406 11.521 1.00 0.00 C ATOM 1258 O GLY A 76 -20.061 2.647 12.417 1.00 0.00 O ATOM 0 H GLY A 76 -22.124 5.016 9.695 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.255 4.449 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.472 2.757 11.535 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.585 4.049 10.720 1.00 0.00 N ATOM 1263 CA ILE A 77 -18.142 3.895 10.852 1.00 0.00 C ATOM 1264 C ILE A 77 -17.532 5.058 11.630 1.00 0.00 C ATOM 1265 O ILE A 77 -17.717 6.220 11.273 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.458 3.803 9.473 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -18.157 2.757 8.602 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.983 3.466 9.633 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.939 2.962 7.120 1.00 0.00 C ATOM 0 H ILE A 77 -19.875 4.681 9.974 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.973 2.967 11.398 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.537 4.772 8.980 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.798 1.766 8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.227 2.779 8.810 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.515 3.405 8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.494 4.243 10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.882 2.508 10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.463 2.184 6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.324 3.939 6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.873 2.910 6.898 1.00 0.00 H new ATOM 1281 N THR A 78 -16.805 4.736 12.695 1.00 0.00 N ATOM 1282 CA THR A 78 -16.173 5.756 13.523 1.00 0.00 C ATOM 1283 C THR A 78 -14.958 6.357 12.816 1.00 0.00 C ATOM 1284 O THR A 78 -14.129 5.630 12.268 1.00 0.00 O ATOM 1285 CB THR A 78 -15.750 5.159 14.867 1.00 0.00 C ATOM 1286 OG1 THR A 78 -15.161 6.150 15.691 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.758 4.024 14.734 1.00 0.00 C ATOM 0 H THR A 78 -16.639 3.778 13.004 1.00 0.00 H new ATOM 0 HA THR A 78 -16.900 6.550 13.696 1.00 0.00 H new ATOM 0 HB THR A 78 -16.666 4.768 15.310 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.898 5.750 16.546 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.501 3.647 15.724 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.200 3.221 14.144 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.857 4.385 14.238 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.834 7.697 12.816 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.711 8.387 12.170 1.00 0.00 C ATOM 1297 C PRO A 79 -12.359 7.894 12.672 1.00 0.00 C ATOM 1298 O PRO A 79 -12.210 7.548 13.844 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.917 9.855 12.554 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.369 9.971 12.859 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.774 8.647 13.443 1.00 0.00 C ATOM 0 HA PRO A 79 -13.698 8.213 11.094 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.309 10.127 13.417 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.630 10.520 11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.557 10.782 13.563 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.941 10.192 11.958 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.685 8.643 14.529 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.810 8.403 13.207 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.377 7.864 11.777 1.00 0.00 N ATOM 1310 CA VAL A 80 -10.034 7.413 12.128 1.00 0.00 C ATOM 1311 C VAL A 80 -9.008 8.529 11.946 1.00 0.00 C ATOM 1312 O VAL A 80 -7.980 8.554 12.622 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.610 6.198 11.281 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.285 5.638 11.775 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.691 5.127 11.304 1.00 0.00 C ATOM 0 H VAL A 80 -11.485 8.147 10.803 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.065 7.123 13.178 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.477 6.526 10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.002 4.781 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.515 6.406 11.701 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.387 5.326 12.814 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.374 4.277 10.700 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.858 4.801 12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.616 5.535 10.898 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.292 9.451 11.031 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.390 10.567 10.765 1.00 0.00 C ATOM 1327 C VAL A 81 -9.161 11.876 10.634 1.00 0.00 C ATOM 1328 O VAL A 81 -10.363 11.877 10.373 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.574 10.334 9.480 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.505 11.404 9.324 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -6.954 8.946 9.485 1.00 0.00 C ATOM 0 H VAL A 81 -10.138 9.448 10.462 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.708 10.633 11.613 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.249 10.401 8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.939 11.222 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.977 12.385 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.831 11.373 10.180 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.381 8.800 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.293 8.846 10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.742 8.196 9.544 1.00 0.00 H new ATOM 1341 N SER A 82 -8.461 12.992 10.820 1.00 0.00 N ATOM 1342 CA SER A 82 -9.083 14.308 10.723 1.00 0.00 C ATOM 1343 C SER A 82 -9.103 14.798 9.278 1.00 0.00 C ATOM 1344 O SER A 82 -8.295 14.368 8.453 1.00 0.00 O ATOM 1345 CB SER A 82 -8.336 15.311 11.602 1.00 0.00 C ATOM 1346 OG SER A 82 -9.226 16.261 12.162 1.00 0.00 O ATOM 0 H SER A 82 -7.465 13.011 11.038 1.00 0.00 H new ATOM 0 HA SER A 82 -10.112 14.222 11.072 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.815 14.782 12.400 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.577 15.823 11.010 1.00 0.00 H new ATOM 0 HG SER A 82 -8.724 16.890 12.721 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.032 15.701 8.979 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.160 16.250 7.634 1.00 0.00 C ATOM 1354 C ALA A 83 -8.897 17.001 7.225 1.00 0.00 C ATOM 1355 O ALA A 83 -8.418 16.859 6.101 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.371 17.167 7.554 1.00 0.00 C ATOM 0 H ALA A 83 -10.707 16.068 9.650 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.298 15.421 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.456 17.571 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.271 16.602 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.255 17.986 8.264 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.363 17.800 8.145 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.155 18.574 7.878 1.00 0.00 C ATOM 1364 C GLN A 84 -6.015 17.669 7.423 1.00 0.00 C ATOM 1365 O GLN A 84 -5.228 18.038 6.551 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.736 19.351 9.128 1.00 0.00 C ATOM 1367 CG GLN A 84 -7.459 20.677 9.292 1.00 0.00 C ATOM 1368 CD GLN A 84 -6.709 21.832 8.656 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -6.844 22.093 7.461 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -5.912 22.531 9.456 1.00 0.00 N ATOM 0 H GLN A 84 -8.748 17.928 9.081 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.376 19.278 7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.921 18.735 10.008 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.662 19.535 9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.451 20.603 8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.601 20.881 10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.830 22.279 10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.382 23.320 9.085 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.934 16.485 8.018 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.892 15.526 7.673 1.00 0.00 C ATOM 1381 C ALA A 85 -5.090 14.979 6.264 1.00 0.00 C ATOM 1382 O ALA A 85 -4.139 14.863 5.492 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.866 14.388 8.684 1.00 0.00 C ATOM 0 H ALA A 85 -6.578 16.166 8.742 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.934 16.045 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.083 13.679 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.666 14.789 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.830 13.880 8.685 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.333 14.643 5.935 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.657 14.106 4.618 1.00 0.00 C ATOM 1391 C VAL A 86 -6.474 15.160 3.531 1.00 0.00 C ATOM 1392 O VAL A 86 -5.808 14.919 2.524 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.103 13.578 4.566 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.359 12.848 3.256 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.382 12.671 5.755 1.00 0.00 C ATOM 0 H VAL A 86 -7.132 14.733 6.562 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.969 13.280 4.438 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.783 14.428 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.386 12.482 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.203 13.532 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.672 12.006 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.408 12.307 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.695 11.825 5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.243 13.231 6.680 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.072 16.329 3.739 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.976 17.420 2.776 1.00 0.00 C ATOM 1407 C VAL A 87 -5.533 17.890 2.619 1.00 0.00 C ATOM 1408 O VAL A 87 -5.103 18.251 1.523 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.855 18.617 3.195 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.791 19.724 2.153 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.292 18.169 3.419 1.00 0.00 C ATOM 0 H VAL A 87 -7.628 16.545 4.566 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.333 17.033 1.822 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.469 19.014 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.418 20.558 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.761 20.065 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.148 19.344 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.898 19.025 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.689 17.744 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.320 17.416 4.207 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.790 17.884 3.720 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.396 18.311 3.703 1.00 0.00 C ATOM 1423 C ALA A 88 -2.470 17.175 3.274 1.00 0.00 C ATOM 1424 O ALA A 88 -1.300 17.404 2.964 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.990 18.836 5.072 1.00 0.00 C ATOM 0 H ALA A 88 -5.130 17.588 4.635 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.300 19.113 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.947 19.152 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.620 19.685 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.112 18.048 5.815 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.993 15.952 3.257 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.190 14.809 2.863 1.00 0.00 C ATOM 1433 C GLY A 89 -1.021 14.570 3.799 1.00 0.00 C ATOM 1434 O GLY A 89 0.010 14.035 3.391 1.00 0.00 O ATOM 0 H GLY A 89 -3.957 15.733 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.819 13.919 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.815 14.964 1.851 1.00 0.00 H new ATOM 1438 N SER A 90 -1.182 14.970 5.056 1.00 0.00 N ATOM 1439 CA SER A 90 -0.133 14.798 6.054 1.00 0.00 C ATOM 1440 C SER A 90 -0.392 13.561 6.909 1.00 0.00 C ATOM 1441 O SER A 90 -0.028 13.520 8.084 1.00 0.00 O ATOM 1442 CB SER A 90 -0.041 16.038 6.946 1.00 0.00 C ATOM 1443 OG SER A 90 1.242 16.146 7.538 1.00 0.00 O ATOM 0 H SER A 90 -2.029 15.416 5.408 1.00 0.00 H new ATOM 0 HA SER A 90 0.813 14.664 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.249 16.931 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.801 15.987 7.725 1.00 0.00 H new ATOM 0 HG SER A 90 1.459 15.311 8.004 1.00 0.00 H new ATOM 1449 N ASP A 91 -1.024 12.557 6.311 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.332 11.318 7.017 1.00 0.00 C ATOM 1451 C ASP A 91 -1.627 10.189 6.031 1.00 0.00 C ATOM 1452 O ASP A 91 -2.766 9.734 5.917 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.525 11.525 7.954 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.097 11.882 9.363 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -0.954 11.550 9.739 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.906 12.496 10.091 1.00 0.00 O ATOM 0 H ASP A 91 -1.333 12.577 5.339 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.461 11.037 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.161 12.317 7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.126 10.616 7.979 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.599 9.720 5.303 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.751 8.639 4.323 1.00 0.00 C ATOM 1463 C PRO A 92 -1.210 7.335 4.968 1.00 0.00 C ATOM 1464 O PRO A 92 -2.048 6.621 4.416 1.00 0.00 O ATOM 1465 CB PRO A 92 0.656 8.478 3.735 1.00 0.00 C ATOM 1466 CG PRO A 92 1.569 9.091 4.740 1.00 0.00 C ATOM 1467 CD PRO A 92 0.789 10.205 5.377 1.00 0.00 C ATOM 0 HA PRO A 92 -1.510 8.874 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.897 7.428 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.740 8.978 2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.881 8.357 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.475 9.469 4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.101 10.379 6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.917 11.146 4.841 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.658 7.032 6.137 1.00 0.00 N ATOM 1476 CA LEU A 93 -1.013 5.815 6.858 1.00 0.00 C ATOM 1477 C LEU A 93 -2.509 5.774 7.155 1.00 0.00 C ATOM 1478 O LEU A 93 -3.130 4.712 7.120 1.00 0.00 O ATOM 1479 CB LEU A 93 -0.221 5.719 8.164 1.00 0.00 C ATOM 1480 CG LEU A 93 1.250 6.131 8.062 1.00 0.00 C ATOM 1481 CD1 LEU A 93 1.474 7.486 8.717 1.00 0.00 C ATOM 1482 CD2 LEU A 93 2.146 5.076 8.697 1.00 0.00 C ATOM 0 H LEU A 93 0.037 7.612 6.606 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.762 4.964 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.707 6.345 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.271 4.692 8.526 1.00 0.00 H new ATOM 0 HG LEU A 93 1.510 6.213 7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.525 7.761 8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.862 8.237 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.195 7.432 9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.188 5.386 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.883 4.961 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.009 4.125 8.183 1.00 0.00 H new ATOM 1494 N GLY A 94 -3.080 6.937 7.447 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.497 7.013 7.746 1.00 0.00 C ATOM 1496 C GLY A 94 -5.360 6.840 6.513 1.00 0.00 C ATOM 1497 O GLY A 94 -6.410 6.200 6.568 1.00 0.00 O ATOM 0 H GLY A 94 -2.586 7.829 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.753 6.244 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.717 7.976 8.207 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.918 7.413 5.397 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.660 7.320 4.144 1.00 0.00 C ATOM 1503 C LEU A 95 -5.824 5.864 3.715 1.00 0.00 C ATOM 1504 O LEU A 95 -6.901 5.452 3.284 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.947 8.115 3.049 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.743 9.297 2.485 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -5.031 10.610 2.778 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -5.963 9.130 0.988 1.00 0.00 C ATOM 0 H LEU A 95 -4.051 7.946 5.335 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.652 7.743 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.004 8.489 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.701 7.438 2.231 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.717 9.318 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.611 11.438 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.928 10.736 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.043 10.598 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.530 9.979 0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.999 9.081 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.518 8.210 0.802 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.750 5.092 3.837 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.776 3.682 3.461 1.00 0.00 C ATOM 1522 C ILE A 96 -5.672 2.882 4.401 1.00 0.00 C ATOM 1523 O ILE A 96 -6.494 2.081 3.957 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.363 3.071 3.469 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.410 3.921 2.625 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.397 1.638 2.954 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.766 3.945 1.154 1.00 0.00 C ATOM 0 H ILE A 96 -3.851 5.418 4.193 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.177 3.631 2.449 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.998 3.058 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.410 4.942 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.396 3.538 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.389 1.223 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.045 1.037 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.781 1.627 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.049 4.566 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.738 2.931 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.768 4.356 1.029 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.506 3.103 5.700 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.299 2.400 6.701 1.00 0.00 C ATOM 1541 C ALA A 97 -7.787 2.677 6.517 1.00 0.00 C ATOM 1542 O ALA A 97 -8.615 1.771 6.624 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.855 2.799 8.101 1.00 0.00 C ATOM 0 H ALA A 97 -4.830 3.763 6.084 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.137 1.330 6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.455 2.267 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.804 2.544 8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.987 3.873 8.232 1.00 0.00 H new ATOM 1549 N TYR A 98 -8.121 3.933 6.240 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.510 4.329 6.039 1.00 0.00 C ATOM 1551 C TYR A 98 -10.063 3.740 4.744 1.00 0.00 C ATOM 1552 O TYR A 98 -11.151 3.166 4.727 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.630 5.853 6.011 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.886 6.376 6.674 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.080 6.235 8.043 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.876 7.007 5.931 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.227 6.711 8.652 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -13.024 7.485 6.534 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.194 7.333 7.894 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.336 7.809 8.497 1.00 0.00 O ATOM 0 H TYR A 98 -7.448 4.694 6.150 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.095 3.941 6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.761 6.286 6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.609 6.191 4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.324 5.747 8.640 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.746 7.126 4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.364 6.595 9.717 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.784 7.975 5.943 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.548 7.257 9.278 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.303 3.889 3.663 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.716 3.373 2.363 1.00 0.00 C ATOM 1572 C LEU A 99 -9.957 1.868 2.425 1.00 0.00 C ATOM 1573 O LEU A 99 -10.924 1.360 1.859 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.655 3.686 1.306 1.00 0.00 C ATOM 1575 CG LEU A 99 -9.195 3.888 -0.111 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -8.230 4.729 -0.933 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.442 2.545 -0.782 1.00 0.00 C ATOM 0 H LEU A 99 -8.399 4.362 3.662 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.651 3.862 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.119 4.586 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.929 2.873 1.290 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.144 4.420 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.629 4.863 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.103 5.703 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.265 4.225 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.826 2.707 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.507 1.987 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.170 1.977 -0.203 1.00 0.00 H new ATOM 1589 N SER A 100 -9.071 1.161 3.117 1.00 0.00 N ATOM 1590 CA SER A 100 -9.187 -0.287 3.254 1.00 0.00 C ATOM 1591 C SER A 100 -10.480 -0.663 3.970 1.00 0.00 C ATOM 1592 O SER A 100 -11.114 -1.665 3.644 1.00 0.00 O ATOM 1593 CB SER A 100 -7.985 -0.846 4.017 1.00 0.00 C ATOM 1594 OG SER A 100 -7.873 -2.247 3.836 1.00 0.00 O ATOM 0 H SER A 100 -8.264 1.566 3.592 1.00 0.00 H new ATOM 0 HA SER A 100 -9.207 -0.722 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.073 -0.358 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.087 -0.620 5.078 1.00 0.00 H new ATOM 0 HG SER A 100 -7.096 -2.580 4.332 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.864 0.149 4.950 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.082 -0.097 5.715 1.00 0.00 C ATOM 1602 C HIS A 101 -13.319 0.105 4.847 1.00 0.00 C ATOM 1603 O HIS A 101 -14.268 -0.676 4.911 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.139 0.829 6.932 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.656 0.158 8.167 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -12.397 -1.161 8.473 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -13.419 0.633 9.179 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.980 -1.470 9.618 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.607 -0.397 10.066 1.00 0.00 N ATOM 0 H HIS A 101 -10.350 0.983 5.233 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.066 -1.132 6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.140 1.218 7.130 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.774 1.684 6.699 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.808 1.636 9.271 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.949 -2.434 10.104 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.144 -0.343 10.931 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.303 1.159 4.036 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.424 1.461 3.155 1.00 0.00 C ATOM 1620 C PHE A 102 -14.610 0.364 2.111 1.00 0.00 C ATOM 1621 O PHE A 102 -15.723 -0.103 1.876 1.00 0.00 O ATOM 1622 CB PHE A 102 -14.204 2.808 2.462 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.877 3.958 3.156 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -16.195 3.855 3.577 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -14.194 5.140 3.386 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.815 4.911 4.214 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -14.811 6.201 4.022 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.123 6.087 4.438 1.00 0.00 C ATOM 0 H PHE A 102 -12.526 1.817 3.972 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.327 1.514 3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.134 3.006 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.574 2.745 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.741 2.939 3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.167 5.234 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -17.841 4.819 4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -14.267 7.118 4.193 1.00 0.00 H new ATOM 0 HZ PHE A 102 -16.607 6.914 4.937 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.510 -0.043 1.487 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.549 -1.085 0.465 1.00 0.00 C ATOM 1640 C HIS A 103 -13.942 -2.433 1.066 1.00 0.00 C ATOM 1641 O HIS A 103 -14.846 -3.104 0.571 1.00 0.00 O ATOM 1642 CB HIS A 103 -12.187 -1.196 -0.226 1.00 0.00 C ATOM 1643 CG HIS A 103 -12.110 -2.307 -1.228 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -10.924 -2.735 -1.788 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -13.079 -3.083 -1.768 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -11.168 -3.724 -2.628 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -12.467 -3.955 -2.633 1.00 0.00 N ATOM 0 H HIS A 103 -12.580 0.332 1.670 1.00 0.00 H new ATOM 0 HA HIS A 103 -14.304 -0.808 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.964 -0.253 -0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.417 -1.346 0.530 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -10.002 -2.348 -1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -14.137 -3.026 -1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.430 -4.254 -3.212 1.00 0.00 H new ATOM 1656 N SER A 104 -13.250 -2.826 2.131 1.00 0.00 N ATOM 1657 CA SER A 104 -13.520 -4.098 2.792 1.00 0.00 C ATOM 1658 C SER A 104 -14.928 -4.132 3.381 1.00 0.00 C ATOM 1659 O SER A 104 -15.629 -5.139 3.278 1.00 0.00 O ATOM 1660 CB SER A 104 -12.489 -4.350 3.894 1.00 0.00 C ATOM 1661 OG SER A 104 -12.604 -3.389 4.930 1.00 0.00 O ATOM 0 H SER A 104 -12.498 -2.282 2.555 1.00 0.00 H new ATOM 0 HA SER A 104 -13.447 -4.885 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.628 -5.350 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.485 -4.315 3.472 1.00 0.00 H new ATOM 0 HG SER A 104 -12.313 -2.514 4.598 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.333 -3.031 4.003 1.00 0.00 N ATOM 1668 CA ALA A 105 -16.655 -2.942 4.615 1.00 0.00 C ATOM 1669 C ALA A 105 -17.760 -3.000 3.565 1.00 0.00 C ATOM 1670 O ALA A 105 -18.757 -3.700 3.741 1.00 0.00 O ATOM 1671 CB ALA A 105 -16.771 -1.667 5.435 1.00 0.00 C ATOM 0 H ALA A 105 -14.766 -2.188 4.097 1.00 0.00 H new ATOM 0 HA ALA A 105 -16.777 -3.801 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -17.762 -1.613 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.015 -1.669 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -16.620 -0.803 4.788 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.579 -2.261 2.477 1.00 0.00 N ATOM 1678 CA PHE A 106 -18.568 -2.233 1.405 1.00 0.00 C ATOM 1679 C PHE A 106 -18.383 -3.408 0.445 1.00 0.00 C ATOM 1680 O PHE A 106 -19.111 -3.533 -0.540 1.00 0.00 O ATOM 1681 CB PHE A 106 -18.481 -0.912 0.638 1.00 0.00 C ATOM 1682 CG PHE A 106 -19.258 0.202 1.279 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -20.635 0.272 1.143 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -18.612 1.180 2.020 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -21.353 1.295 1.731 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -19.325 2.206 2.611 1.00 0.00 C ATOM 1687 CZ PHE A 106 -20.697 2.263 2.466 1.00 0.00 C ATOM 0 H PHE A 106 -16.760 -1.675 2.313 1.00 0.00 H new ATOM 0 HA PHE A 106 -19.555 -2.320 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -17.435 -0.616 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -18.849 -1.065 -0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -21.153 -0.483 0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -17.539 1.140 2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -22.426 1.338 1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -18.810 2.962 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 106 -21.257 3.064 2.927 1.00 0.00 H new ATOM 1697 N LYS A 107 -17.413 -4.274 0.736 1.00 0.00 N ATOM 1698 CA LYS A 107 -17.151 -5.435 -0.103 1.00 0.00 C ATOM 1699 C LYS A 107 -18.053 -6.600 0.290 1.00 0.00 C ATOM 1700 O LYS A 107 -18.414 -7.430 -0.546 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.680 -5.848 0.001 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.887 -5.596 -1.271 1.00 0.00 C ATOM 1703 CD LYS A 107 -15.056 -6.731 -2.267 1.00 0.00 C ATOM 1704 CE LYS A 107 -14.780 -6.272 -3.689 1.00 0.00 C ATOM 1705 NZ LYS A 107 -15.775 -6.819 -4.654 1.00 0.00 N ATOM 0 H LYS A 107 -16.798 -4.191 1.546 1.00 0.00 H new ATOM 0 HA LYS A 107 -17.368 -5.164 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -15.215 -5.303 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.625 -6.908 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.214 -4.660 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.831 -5.480 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -14.380 -7.546 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -16.070 -7.126 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -14.797 -5.183 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -13.779 -6.586 -3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -15.551 -6.482 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -15.741 -7.858 -4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -16.728 -6.499 -4.389 1.00 0.00 H new