USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 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 69 LYS NZ :NH3+ -156:sc= 0.761 (180deg=0) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= -1.65! F(o=-2.3,f=-0.89!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0.166 K(o=0.25,f=-0.67) USER MOD Set 2.2: A 26 SER OG : rot 101:sc= 0.0787 USER MOD Single : A 6 GLN :FLIP amide:sc= -2.44! C(o=-3.9!,f=-2.4!) USER MOD Single : A 13 CYS SG : rot -132:sc= -0.389 USER MOD Single : A 14 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.042) USER MOD Single : A 16 GLN : amide:sc= -0.853 K(o=-0.85,f=-4.6!) USER MOD Single : A 17 THR OG1 : rot 96:sc= 1.21 USER MOD Single : A 20 TYR OH : rot 32:sc= -0.678 USER MOD Single : A 29 SER OG : rot 180:sc= -0.502 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 67:sc= 0.255 USER MOD Single : A 39 CYS SG : rot 98:sc= -1.28 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -6.56 K(o=-6.6,f=-8.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 64 THR OG1 : rot 79:sc= 0.783 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 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -55:sc= 1.14 USER MOD Single : A 101 HIS : no HE2:sc= -0.259 X(o=-0.26,f=-0.44) USER MOD Single : A 103 HIS : no HD1:sc= -3 K(o=-3,f=-5.1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.208 -0.101 -3.066 1.00 0.00 N ATOM 202 CA GLN A 6 -0.362 1.212 -3.341 1.00 0.00 C ATOM 203 C GLN A 6 -1.046 1.242 -4.706 1.00 0.00 C ATOM 204 O GLN A 6 -2.034 1.949 -4.899 1.00 0.00 O ATOM 205 CB GLN A 6 0.726 2.285 -3.282 1.00 0.00 C ATOM 206 CG GLN A 6 1.371 2.421 -1.912 1.00 0.00 C ATOM 207 CD GLN A 6 1.765 3.851 -1.595 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.807 4.638 -1.120 1.00 0.00 O flip ATOM 209 NE2 GLN A 6 2.918 4.243 -1.775 1.00 0.00 N flip ATOM 0 HA GLN A 6 -1.112 1.418 -2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.497 2.050 -4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.295 3.244 -3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.679 2.061 -1.151 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.255 1.785 -1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.623 3.603 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.169 5.207 -1.557 1.00 0.00 H new ATOM 218 N GLU A 7 -0.509 0.476 -5.649 1.00 0.00 N ATOM 219 CA GLU A 7 -1.063 0.423 -6.998 1.00 0.00 C ATOM 220 C GLU A 7 -2.489 -0.121 -6.991 1.00 0.00 C ATOM 221 O GLU A 7 -3.381 0.442 -7.624 1.00 0.00 O ATOM 222 CB GLU A 7 -0.181 -0.442 -7.900 1.00 0.00 C ATOM 223 CG GLU A 7 1.182 0.168 -8.185 1.00 0.00 C ATOM 224 CD GLU A 7 1.111 1.312 -9.178 1.00 0.00 C ATOM 225 OE1 GLU A 7 0.714 2.425 -8.775 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.456 1.095 -10.360 1.00 0.00 O ATOM 0 H GLU A 7 0.309 -0.117 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.088 1.441 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.043 -1.417 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.698 -0.612 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.618 0.527 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.848 -0.603 -8.572 1.00 0.00 H new ATOM 233 N GLU A 8 -2.699 -1.221 -6.274 1.00 0.00 N ATOM 234 CA GLU A 8 -4.018 -1.839 -6.193 1.00 0.00 C ATOM 235 C GLU A 8 -4.994 -0.947 -5.429 1.00 0.00 C ATOM 236 O GLU A 8 -6.193 -0.941 -5.708 1.00 0.00 O ATOM 237 CB GLU A 8 -3.929 -3.212 -5.524 1.00 0.00 C ATOM 238 CG GLU A 8 -3.500 -3.157 -4.068 1.00 0.00 C ATOM 239 CD GLU A 8 -3.907 -4.395 -3.293 1.00 0.00 C ATOM 240 OE1 GLU A 8 -4.814 -5.117 -3.760 1.00 0.00 O ATOM 241 OE2 GLU A 8 -3.318 -4.645 -2.220 1.00 0.00 O ATOM 0 H GLU A 8 -1.974 -1.702 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.390 -1.966 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.901 -3.701 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.223 -3.831 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.418 -3.040 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.939 -2.277 -3.597 1.00 0.00 H new ATOM 248 N LEU A 9 -4.474 -0.196 -4.464 1.00 0.00 N ATOM 249 CA LEU A 9 -5.300 0.696 -3.659 1.00 0.00 C ATOM 250 C LEU A 9 -5.756 1.904 -4.472 1.00 0.00 C ATOM 251 O LEU A 9 -6.922 2.296 -4.419 1.00 0.00 O ATOM 252 CB LEU A 9 -4.528 1.161 -2.422 1.00 0.00 C ATOM 253 CG LEU A 9 -5.376 1.840 -1.346 1.00 0.00 C ATOM 254 CD1 LEU A 9 -6.543 0.951 -0.946 1.00 0.00 C ATOM 255 CD2 LEU A 9 -4.523 2.182 -0.135 1.00 0.00 C ATOM 0 H LEU A 9 -3.484 -0.187 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.184 0.142 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.029 0.299 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.748 1.853 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.777 2.767 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.135 1.451 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.168 0.757 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.164 0.007 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.142 2.665 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.093 1.269 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.722 2.858 -0.434 1.00 0.00 H new ATOM 267 N LEU A 10 -4.829 2.493 -5.220 1.00 0.00 N ATOM 268 CA LEU A 10 -5.136 3.661 -6.040 1.00 0.00 C ATOM 269 C LEU A 10 -6.155 3.321 -7.123 1.00 0.00 C ATOM 270 O LEU A 10 -7.114 4.060 -7.340 1.00 0.00 O ATOM 271 CB LEU A 10 -3.859 4.211 -6.679 1.00 0.00 C ATOM 272 CG LEU A 10 -4.002 5.589 -7.329 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.799 6.462 -7.006 1.00 0.00 C ATOM 274 CD2 LEU A 10 -4.175 5.453 -8.835 1.00 0.00 C ATOM 0 H LEU A 10 -3.859 2.182 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.568 4.422 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.083 4.265 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.515 3.504 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.892 6.069 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.920 7.437 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.720 6.588 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.893 5.987 -7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.275 6.443 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.304 4.951 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.070 4.867 -9.047 1.00 0.00 H new ATOM 286 N ARG A 11 -5.939 2.199 -7.803 1.00 0.00 N ATOM 287 CA ARG A 11 -6.840 1.767 -8.867 1.00 0.00 C ATOM 288 C ARG A 11 -8.249 1.533 -8.331 1.00 0.00 C ATOM 289 O ARG A 11 -9.234 1.875 -8.984 1.00 0.00 O ATOM 290 CB ARG A 11 -6.313 0.490 -9.525 1.00 0.00 C ATOM 291 CG ARG A 11 -6.273 -0.706 -8.588 1.00 0.00 C ATOM 292 CD ARG A 11 -5.870 -1.975 -9.322 1.00 0.00 C ATOM 293 NE ARG A 11 -6.119 -3.172 -8.521 1.00 0.00 N ATOM 294 CZ ARG A 11 -6.220 -4.397 -9.030 1.00 0.00 C ATOM 295 NH1 ARG A 11 -6.094 -4.595 -10.337 1.00 0.00 N ATOM 296 NH2 ARG A 11 -6.448 -5.431 -8.230 1.00 0.00 N ATOM 0 H ARG A 11 -5.150 1.574 -7.637 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.884 2.561 -9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.940 0.248 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.309 0.676 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.568 -0.513 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.253 -0.844 -8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.423 -2.044 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.812 -1.925 -9.580 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.221 -3.062 -7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.919 -3.805 -10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.173 -5.537 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.546 -5.286 -7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.525 -6.370 -8.620 1.00 0.00 H new ATOM 310 N TRP A 12 -8.338 0.950 -7.140 1.00 0.00 N ATOM 311 CA TRP A 12 -9.630 0.672 -6.521 1.00 0.00 C ATOM 312 C TRP A 12 -10.401 1.963 -6.265 1.00 0.00 C ATOM 313 O TRP A 12 -11.615 2.021 -6.460 1.00 0.00 O ATOM 314 CB TRP A 12 -9.440 -0.089 -5.208 1.00 0.00 C ATOM 315 CG TRP A 12 -10.719 -0.642 -4.654 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.338 -1.800 -5.024 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.535 -0.058 -3.633 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.489 -1.974 -4.294 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.631 -0.917 -3.434 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.443 1.108 -2.866 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.629 -0.648 -2.500 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.434 1.374 -1.940 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.513 0.500 -1.763 1.00 0.00 C ATOM 0 H TRP A 12 -7.533 0.661 -6.585 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.207 0.055 -7.210 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.738 -0.907 -5.368 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.991 0.577 -4.471 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.976 -2.481 -5.780 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.132 -2.761 -4.379 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.613 1.787 -2.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.463 -1.320 -2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.375 2.272 -1.343 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.270 0.736 -1.030 1.00 0.00 H new ATOM 334 N CYS A 13 -9.689 2.998 -5.828 1.00 0.00 N ATOM 335 CA CYS A 13 -10.308 4.286 -5.546 1.00 0.00 C ATOM 336 C CYS A 13 -10.773 4.961 -6.834 1.00 0.00 C ATOM 337 O CYS A 13 -11.888 5.480 -6.907 1.00 0.00 O ATOM 338 CB CYS A 13 -9.328 5.198 -4.806 1.00 0.00 C ATOM 339 SG CYS A 13 -9.281 4.931 -3.018 1.00 0.00 S ATOM 0 H CYS A 13 -8.683 2.968 -5.662 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.178 4.110 -4.913 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.328 5.045 -5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.596 6.236 -5.001 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.360 6.075 -2.406 1.00 0.00 H new ATOM 345 N GLN A 14 -9.912 4.952 -7.846 1.00 0.00 N ATOM 346 CA GLN A 14 -10.235 5.562 -9.129 1.00 0.00 C ATOM 347 C GLN A 14 -11.412 4.853 -9.790 1.00 0.00 C ATOM 348 O GLN A 14 -12.252 5.488 -10.429 1.00 0.00 O ATOM 349 CB GLN A 14 -9.019 5.529 -10.055 1.00 0.00 C ATOM 350 CG GLN A 14 -9.261 6.184 -11.406 1.00 0.00 C ATOM 351 CD GLN A 14 -9.116 5.214 -12.562 1.00 0.00 C ATOM 352 OE1 GLN A 14 -9.965 5.155 -13.449 1.00 0.00 O ATOM 353 NE2 GLN A 14 -8.032 4.447 -12.556 1.00 0.00 N ATOM 0 H GLN A 14 -8.985 4.529 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.516 6.599 -8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.185 6.029 -9.563 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.721 4.492 -10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.262 6.615 -11.422 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.558 7.007 -11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.353 4.530 -11.799 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.878 3.775 -13.308 1.00 0.00 H new ATOM 362 N GLU A 15 -11.471 3.535 -9.630 1.00 0.00 N ATOM 363 CA GLU A 15 -12.549 2.745 -10.211 1.00 0.00 C ATOM 364 C GLU A 15 -13.885 3.093 -9.560 1.00 0.00 C ATOM 365 O GLU A 15 -14.891 3.283 -10.245 1.00 0.00 O ATOM 366 CB GLU A 15 -12.263 1.251 -10.047 1.00 0.00 C ATOM 367 CG GLU A 15 -13.111 0.366 -10.945 1.00 0.00 C ATOM 368 CD GLU A 15 -12.331 -0.802 -11.517 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.847 -1.636 -10.726 1.00 0.00 O ATOM 370 OE2 GLU A 15 -12.206 -0.881 -12.757 1.00 0.00 O ATOM 0 H GLU A 15 -10.786 2.993 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.608 2.980 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.210 1.066 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.433 0.969 -9.008 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.961 -0.013 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.514 0.964 -11.762 1.00 0.00 H new ATOM 377 N GLN A 16 -13.885 3.175 -8.235 1.00 0.00 N ATOM 378 CA GLN A 16 -15.093 3.503 -7.487 1.00 0.00 C ATOM 379 C GLN A 16 -15.493 4.957 -7.712 1.00 0.00 C ATOM 380 O GLN A 16 -16.674 5.300 -7.675 1.00 0.00 O ATOM 381 CB GLN A 16 -14.883 3.244 -5.995 1.00 0.00 C ATOM 382 CG GLN A 16 -14.589 1.790 -5.665 1.00 0.00 C ATOM 383 CD GLN A 16 -15.787 0.887 -5.884 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.764 1.276 -6.523 1.00 0.00 O ATOM 385 NE2 GLN A 16 -15.717 -0.329 -5.352 1.00 0.00 N ATOM 0 H GLN A 16 -13.060 3.019 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.898 2.863 -7.848 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.058 3.862 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.774 3.558 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.760 1.442 -6.281 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.268 1.715 -4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.887 -0.610 -4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.493 -0.981 -5.466 1.00 0.00 H new ATOM 394 N THR A 17 -14.500 5.810 -7.945 1.00 0.00 N ATOM 395 CA THR A 17 -14.748 7.229 -8.174 1.00 0.00 C ATOM 396 C THR A 17 -14.891 7.539 -9.663 1.00 0.00 C ATOM 397 O THR A 17 -14.965 8.702 -10.057 1.00 0.00 O ATOM 398 CB THR A 17 -13.617 8.067 -7.576 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.314 7.637 -6.261 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.936 9.546 -7.514 1.00 0.00 C ATOM 0 H THR A 17 -13.516 5.543 -7.980 1.00 0.00 H new ATOM 0 HA THR A 17 -15.687 7.484 -7.683 1.00 0.00 H new ATOM 0 HB THR A 17 -12.767 7.923 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.559 7.013 -6.287 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.092 10.082 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.125 9.920 -8.520 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.821 9.702 -6.897 1.00 0.00 H new ATOM 408 N ALA A 18 -14.928 6.496 -10.490 1.00 0.00 N ATOM 409 CA ALA A 18 -15.061 6.674 -11.932 1.00 0.00 C ATOM 410 C ALA A 18 -16.504 6.987 -12.314 1.00 0.00 C ATOM 411 O ALA A 18 -17.422 6.241 -11.971 1.00 0.00 O ATOM 412 CB ALA A 18 -14.576 5.431 -12.664 1.00 0.00 C ATOM 0 H ALA A 18 -14.868 5.524 -10.187 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.442 7.521 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.681 5.578 -13.739 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.528 5.252 -12.423 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.171 4.572 -12.355 1.00 0.00 H new ATOM 418 N GLY A 19 -16.696 8.093 -13.024 1.00 0.00 N ATOM 419 CA GLY A 19 -18.030 8.484 -13.441 1.00 0.00 C ATOM 420 C GLY A 19 -18.288 9.965 -13.247 1.00 0.00 C ATOM 421 O GLY A 19 -18.936 10.603 -14.077 1.00 0.00 O ATOM 0 H GLY A 19 -15.952 8.726 -13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.168 8.229 -14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.766 7.913 -12.875 1.00 0.00 H new ATOM 425 N TYR A 20 -17.780 10.513 -12.148 1.00 0.00 N ATOM 426 CA TYR A 20 -17.958 11.929 -11.848 1.00 0.00 C ATOM 427 C TYR A 20 -17.197 12.796 -12.852 1.00 0.00 C ATOM 428 O TYR A 20 -16.000 12.601 -13.066 1.00 0.00 O ATOM 429 CB TYR A 20 -17.480 12.236 -10.428 1.00 0.00 C ATOM 430 CG TYR A 20 -18.157 11.400 -9.363 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.716 10.115 -9.076 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.236 11.899 -8.644 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.332 9.349 -8.105 1.00 0.00 C ATOM 434 CE2 TYR A 20 -19.856 11.140 -7.669 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.401 9.867 -7.404 1.00 0.00 C ATOM 436 OH TYR A 20 -20.015 9.107 -6.436 1.00 0.00 O ATOM 0 H TYR A 20 -17.242 9.998 -11.451 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.020 12.161 -11.923 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.403 12.075 -10.374 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -17.655 13.291 -10.215 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.877 9.707 -9.621 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.596 12.896 -8.850 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.978 8.350 -7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.693 11.543 -7.118 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.354 8.519 -6.014 1.00 0.00 H new ATOM 446 N PRO A 21 -17.880 13.766 -13.487 1.00 0.00 N ATOM 447 CA PRO A 21 -17.252 14.656 -14.471 1.00 0.00 C ATOM 448 C PRO A 21 -16.310 15.665 -13.826 1.00 0.00 C ATOM 449 O PRO A 21 -16.747 16.582 -13.130 1.00 0.00 O ATOM 450 CB PRO A 21 -18.443 15.370 -15.111 1.00 0.00 C ATOM 451 CG PRO A 21 -19.499 15.358 -14.061 1.00 0.00 C ATOM 452 CD PRO A 21 -19.312 14.074 -13.300 1.00 0.00 C ATOM 0 HA PRO A 21 -16.633 14.106 -15.181 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.185 16.388 -15.402 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.775 14.856 -16.013 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.403 16.220 -13.401 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.493 15.407 -14.506 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.562 14.192 -12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -19.948 13.280 -13.691 1.00 0.00 H new ATOM 460 N GLY A 22 -15.012 15.492 -14.061 1.00 0.00 N ATOM 461 CA GLY A 22 -14.029 16.395 -13.497 1.00 0.00 C ATOM 462 C GLY A 22 -13.189 15.736 -12.423 1.00 0.00 C ATOM 463 O GLY A 22 -12.060 16.155 -12.163 1.00 0.00 O ATOM 0 H GLY A 22 -14.625 14.741 -14.633 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.378 16.760 -14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.536 17.263 -13.076 1.00 0.00 H new ATOM 467 N VAL A 23 -13.739 14.704 -11.794 1.00 0.00 N ATOM 468 CA VAL A 23 -13.033 13.987 -10.741 1.00 0.00 C ATOM 469 C VAL A 23 -12.018 13.012 -11.325 1.00 0.00 C ATOM 470 O VAL A 23 -12.373 12.106 -12.080 1.00 0.00 O ATOM 471 CB VAL A 23 -14.008 13.214 -9.835 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.288 12.680 -8.607 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.180 14.097 -9.433 1.00 0.00 C ATOM 0 H VAL A 23 -14.672 14.345 -11.996 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.512 14.736 -10.144 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.399 12.365 -10.396 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.994 12.137 -7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.487 12.009 -8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.866 13.511 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.858 13.533 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -14.810 14.968 -8.892 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.712 14.424 -10.326 1.00 0.00 H new ATOM 483 N HIS A 24 -10.754 13.204 -10.966 1.00 0.00 N ATOM 484 CA HIS A 24 -9.681 12.342 -11.448 1.00 0.00 C ATOM 485 C HIS A 24 -8.852 11.807 -10.284 1.00 0.00 C ATOM 486 O HIS A 24 -7.809 12.364 -9.943 1.00 0.00 O ATOM 487 CB HIS A 24 -8.779 13.105 -12.420 1.00 0.00 C ATOM 488 CG HIS A 24 -8.037 12.216 -13.369 1.00 0.00 C ATOM 489 ND1 HIS A 24 -7.856 10.866 -13.151 1.00 0.00 N ATOM 490 CD2 HIS A 24 -7.427 12.489 -14.547 1.00 0.00 C ATOM 491 CE1 HIS A 24 -7.167 10.347 -14.151 1.00 0.00 C ATOM 492 NE2 HIS A 24 -6.895 11.311 -15.012 1.00 0.00 N ATOM 0 H HIS A 24 -10.447 13.950 -10.342 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.134 11.499 -11.970 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.386 13.807 -12.992 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.061 13.695 -11.850 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.370 13.453 -15.031 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.876 9.312 -14.248 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.374 11.199 -15.882 1.00 0.00 H new ATOM 501 N VAL A 25 -9.327 10.726 -9.674 1.00 0.00 N ATOM 502 CA VAL A 25 -8.634 10.119 -8.545 1.00 0.00 C ATOM 503 C VAL A 25 -7.433 9.300 -9.008 1.00 0.00 C ATOM 504 O VAL A 25 -7.584 8.188 -9.514 1.00 0.00 O ATOM 505 CB VAL A 25 -9.574 9.211 -7.731 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.892 8.743 -6.454 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.873 9.936 -7.413 1.00 0.00 C ATOM 0 H VAL A 25 -10.189 10.253 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.290 10.937 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.811 8.333 -8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.572 8.103 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.992 8.183 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.623 9.608 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.525 9.279 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.657 10.832 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.370 10.217 -8.342 1.00 0.00 H new ATOM 517 N SER A 26 -6.241 9.857 -8.826 1.00 0.00 N ATOM 518 CA SER A 26 -5.010 9.178 -9.219 1.00 0.00 C ATOM 519 C SER A 26 -3.843 9.607 -8.333 1.00 0.00 C ATOM 520 O SER A 26 -2.681 9.498 -8.725 1.00 0.00 O ATOM 521 CB SER A 26 -4.686 9.471 -10.685 1.00 0.00 C ATOM 522 OG SER A 26 -5.836 9.323 -11.501 1.00 0.00 O ATOM 0 H SER A 26 -6.100 10.777 -8.409 1.00 0.00 H new ATOM 0 HA SER A 26 -5.162 8.106 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.297 10.485 -10.779 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.902 8.796 -11.029 1.00 0.00 H new ATOM 0 HG SER A 26 -6.213 10.206 -11.699 1.00 0.00 H new ATOM 528 N ASP A 27 -4.161 10.093 -7.137 1.00 0.00 N ATOM 529 CA ASP A 27 -3.142 10.535 -6.194 1.00 0.00 C ATOM 530 C ASP A 27 -3.481 10.079 -4.778 1.00 0.00 C ATOM 531 O ASP A 27 -4.652 9.974 -4.415 1.00 0.00 O ATOM 532 CB ASP A 27 -3.003 12.057 -6.236 1.00 0.00 C ATOM 533 CG ASP A 27 -2.841 12.584 -7.648 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.850 12.212 -8.310 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.707 13.369 -8.092 1.00 0.00 O ATOM 0 H ASP A 27 -5.118 10.190 -6.799 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.192 10.085 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.882 12.512 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.142 12.357 -5.638 1.00 0.00 H new ATOM 540 N LEU A 28 -2.453 9.806 -3.984 1.00 0.00 N ATOM 541 CA LEU A 28 -2.651 9.359 -2.611 1.00 0.00 C ATOM 542 C LEU A 28 -2.532 10.527 -1.637 1.00 0.00 C ATOM 543 O LEU A 28 -1.990 10.380 -0.541 1.00 0.00 O ATOM 544 CB LEU A 28 -1.634 8.272 -2.256 1.00 0.00 C ATOM 545 CG LEU A 28 -2.070 6.844 -2.596 1.00 0.00 C ATOM 546 CD1 LEU A 28 -0.884 6.026 -3.086 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.713 6.183 -1.386 1.00 0.00 C ATOM 0 H LEU A 28 -1.476 9.886 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.656 8.945 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.700 8.485 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.423 8.327 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.808 6.889 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.213 5.014 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.466 6.490 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.122 5.987 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.017 5.169 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.996 6.149 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.587 6.757 -1.080 1.00 0.00 H new ATOM 559 N SER A 29 -3.040 11.688 -2.042 1.00 0.00 N ATOM 560 CA SER A 29 -2.987 12.876 -1.197 1.00 0.00 C ATOM 561 C SER A 29 -3.744 14.042 -1.830 1.00 0.00 C ATOM 562 O SER A 29 -4.867 14.354 -1.432 1.00 0.00 O ATOM 563 CB SER A 29 -1.534 13.277 -0.940 1.00 0.00 C ATOM 564 OG SER A 29 -1.459 14.534 -0.286 1.00 0.00 O ATOM 0 H SER A 29 -3.491 11.831 -2.946 1.00 0.00 H new ATOM 0 HA SER A 29 -3.467 12.633 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.046 12.517 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.993 13.323 -1.885 1.00 0.00 H new ATOM 0 HG SER A 29 -0.520 14.767 -0.132 1.00 0.00 H new ATOM 570 N SER A 30 -3.118 14.689 -2.809 1.00 0.00 N ATOM 571 CA SER A 30 -3.725 15.828 -3.491 1.00 0.00 C ATOM 572 C SER A 30 -5.106 15.481 -4.044 1.00 0.00 C ATOM 573 O SER A 30 -5.971 16.348 -4.166 1.00 0.00 O ATOM 574 CB SER A 30 -2.820 16.308 -4.627 1.00 0.00 C ATOM 575 OG SER A 30 -1.550 16.699 -4.136 1.00 0.00 O ATOM 0 H SER A 30 -2.188 14.443 -3.149 1.00 0.00 H new ATOM 0 HA SER A 30 -3.844 16.626 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.700 15.512 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.289 17.147 -5.140 1.00 0.00 H new ATOM 0 HG SER A 30 -0.990 17.000 -4.881 1.00 0.00 H new ATOM 581 N SER A 31 -5.306 14.211 -4.376 1.00 0.00 N ATOM 582 CA SER A 31 -6.582 13.756 -4.916 1.00 0.00 C ATOM 583 C SER A 31 -7.692 13.868 -3.872 1.00 0.00 C ATOM 584 O SER A 31 -8.865 14.014 -4.215 1.00 0.00 O ATOM 585 CB SER A 31 -6.468 12.311 -5.404 1.00 0.00 C ATOM 586 OG SER A 31 -6.400 12.253 -6.818 1.00 0.00 O ATOM 0 H SER A 31 -4.602 13.479 -4.281 1.00 0.00 H new ATOM 0 HA SER A 31 -6.838 14.398 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.579 11.848 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.326 11.737 -5.054 1.00 0.00 H new ATOM 0 HG SER A 31 -5.562 12.661 -7.122 1.00 0.00 H new ATOM 592 N TRP A 32 -7.315 13.793 -2.600 1.00 0.00 N ATOM 593 CA TRP A 32 -8.283 13.884 -1.510 1.00 0.00 C ATOM 594 C TRP A 32 -8.376 15.305 -0.960 1.00 0.00 C ATOM 595 O TRP A 32 -8.949 15.527 0.107 1.00 0.00 O ATOM 596 CB TRP A 32 -7.903 12.914 -0.390 1.00 0.00 C ATOM 597 CG TRP A 32 -7.688 11.512 -0.867 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.616 11.039 -1.569 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.567 10.397 -0.677 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.775 9.700 -1.828 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.965 9.281 -1.291 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.805 10.234 -0.049 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.559 8.022 -1.294 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.393 8.983 -0.052 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.769 7.891 -0.670 1.00 0.00 C ATOM 0 H TRP A 32 -6.349 13.670 -2.298 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.261 13.614 -1.908 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.994 13.269 0.095 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.689 12.917 0.365 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.767 11.632 -1.876 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.115 9.112 -2.337 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.293 11.070 0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.082 7.179 -1.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.350 8.845 0.430 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.254 6.926 -0.653 1.00 0.00 H new ATOM 616 N ALA A 33 -7.813 16.267 -1.688 1.00 0.00 N ATOM 617 CA ALA A 33 -7.842 17.661 -1.260 1.00 0.00 C ATOM 618 C ALA A 33 -9.275 18.148 -1.070 1.00 0.00 C ATOM 619 O ALA A 33 -9.641 18.627 0.004 1.00 0.00 O ATOM 620 CB ALA A 33 -7.112 18.539 -2.266 1.00 0.00 C ATOM 0 H ALA A 33 -7.333 16.106 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.333 17.730 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.142 19.576 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.075 18.214 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.595 18.456 -3.239 1.00 0.00 H new ATOM 626 N ASP A 34 -10.083 18.021 -2.118 1.00 0.00 N ATOM 627 CA ASP A 34 -11.479 18.446 -2.063 1.00 0.00 C ATOM 628 C ASP A 34 -12.380 17.326 -1.539 1.00 0.00 C ATOM 629 O ASP A 34 -13.605 17.456 -1.540 1.00 0.00 O ATOM 630 CB ASP A 34 -11.954 18.897 -3.446 1.00 0.00 C ATOM 631 CG ASP A 34 -11.619 17.892 -4.531 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.444 16.700 -4.202 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.533 18.297 -5.708 1.00 0.00 O ATOM 0 H ASP A 34 -9.796 17.628 -3.015 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.544 19.286 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.032 19.056 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.496 19.856 -3.689 1.00 0.00 H new ATOM 638 N GLY A 35 -11.773 16.229 -1.089 1.00 0.00 N ATOM 639 CA GLY A 35 -12.544 15.113 -0.569 1.00 0.00 C ATOM 640 C GLY A 35 -13.446 14.487 -1.615 1.00 0.00 C ATOM 641 O GLY A 35 -14.538 14.017 -1.300 1.00 0.00 O ATOM 0 H GLY A 35 -10.762 16.094 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.863 14.355 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.150 15.455 0.270 1.00 0.00 H new ATOM 645 N LEU A 36 -12.990 14.485 -2.863 1.00 0.00 N ATOM 646 CA LEU A 36 -13.765 13.914 -3.959 1.00 0.00 C ATOM 647 C LEU A 36 -13.740 12.388 -3.919 1.00 0.00 C ATOM 648 O LEU A 36 -14.757 11.735 -4.150 1.00 0.00 O ATOM 649 CB LEU A 36 -13.228 14.413 -5.303 1.00 0.00 C ATOM 650 CG LEU A 36 -14.072 15.500 -5.972 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.400 14.928 -6.442 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.296 16.663 -5.014 1.00 0.00 C ATOM 0 H LEU A 36 -12.088 14.872 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.799 14.239 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.219 14.797 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.149 13.565 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.532 15.872 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.988 15.714 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.218 14.129 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.948 14.530 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.898 17.428 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.816 16.307 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.334 17.088 -4.726 1.00 0.00 H new ATOM 664 N ALA A 37 -12.571 11.824 -3.631 1.00 0.00 N ATOM 665 CA ALA A 37 -12.419 10.375 -3.568 1.00 0.00 C ATOM 666 C ALA A 37 -13.292 9.775 -2.471 1.00 0.00 C ATOM 667 O ALA A 37 -13.999 8.791 -2.693 1.00 0.00 O ATOM 668 CB ALA A 37 -10.960 10.009 -3.341 1.00 0.00 C ATOM 0 H ALA A 37 -11.717 12.347 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.745 9.960 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.860 8.925 -3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.356 10.395 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.617 10.444 -2.402 1.00 0.00 H new ATOM 674 N LEU A 38 -13.244 10.376 -1.285 1.00 0.00 N ATOM 675 CA LEU A 38 -14.033 9.901 -0.155 1.00 0.00 C ATOM 676 C LEU A 38 -15.519 10.133 -0.399 1.00 0.00 C ATOM 677 O LEU A 38 -16.348 9.271 -0.107 1.00 0.00 O ATOM 678 CB LEU A 38 -13.597 10.607 1.131 1.00 0.00 C ATOM 679 CG LEU A 38 -14.090 9.956 2.424 1.00 0.00 C ATOM 680 CD1 LEU A 38 -13.383 8.630 2.656 1.00 0.00 C ATOM 681 CD2 LEU A 38 -13.874 10.890 3.604 1.00 0.00 C ATOM 0 H LEU A 38 -12.667 11.192 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.863 8.830 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.508 10.647 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.953 11.637 1.101 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.158 9.763 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.746 8.181 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.586 7.958 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.309 8.799 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.230 10.412 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.812 11.113 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.425 11.816 3.441 1.00 0.00 H new ATOM 693 N CYS A 39 -15.846 11.302 -0.938 1.00 0.00 N ATOM 694 CA CYS A 39 -17.233 11.651 -1.224 1.00 0.00 C ATOM 695 C CYS A 39 -17.821 10.720 -2.279 1.00 0.00 C ATOM 696 O CYS A 39 -18.926 10.202 -2.119 1.00 0.00 O ATOM 697 CB CYS A 39 -17.324 13.100 -1.701 1.00 0.00 C ATOM 698 SG CYS A 39 -17.502 14.307 -0.365 1.00 0.00 S ATOM 0 H CYS A 39 -15.170 12.024 -1.186 1.00 0.00 H new ATOM 0 HA CYS A 39 -17.808 11.539 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.429 13.339 -2.275 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.173 13.196 -2.378 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.340 14.820 -0.086 1.00 0.00 H new ATOM 704 N ALA A 40 -17.075 10.515 -3.360 1.00 0.00 N ATOM 705 CA ALA A 40 -17.518 9.646 -4.445 1.00 0.00 C ATOM 706 C ALA A 40 -17.855 8.251 -3.932 1.00 0.00 C ATOM 707 O ALA A 40 -18.854 7.654 -4.335 1.00 0.00 O ATOM 708 CB ALA A 40 -16.451 9.569 -5.527 1.00 0.00 C ATOM 0 H ALA A 40 -16.159 10.940 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.425 10.074 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.794 8.917 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.263 10.567 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.531 9.168 -5.103 1.00 0.00 H new ATOM 714 N LEU A 41 -17.015 7.735 -3.040 1.00 0.00 N ATOM 715 CA LEU A 41 -17.223 6.409 -2.472 1.00 0.00 C ATOM 716 C LEU A 41 -18.551 6.338 -1.721 1.00 0.00 C ATOM 717 O LEU A 41 -19.367 5.449 -1.964 1.00 0.00 O ATOM 718 CB LEU A 41 -16.073 6.048 -1.530 1.00 0.00 C ATOM 719 CG LEU A 41 -14.704 5.921 -2.201 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.594 6.253 -1.217 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.519 4.520 -2.765 1.00 0.00 C ATOM 0 H LEU A 41 -16.184 8.216 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.252 5.692 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.010 6.807 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.309 5.104 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.654 6.634 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.628 6.157 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.719 7.275 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.639 5.565 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.540 4.445 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.588 3.791 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.296 4.319 -3.503 1.00 0.00 H new ATOM 733 N VAL A 42 -18.757 7.281 -0.805 1.00 0.00 N ATOM 734 CA VAL A 42 -19.981 7.324 -0.016 1.00 0.00 C ATOM 735 C VAL A 42 -21.207 7.501 -0.907 1.00 0.00 C ATOM 736 O VAL A 42 -22.214 6.811 -0.737 1.00 0.00 O ATOM 737 CB VAL A 42 -19.946 8.467 1.015 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.119 8.356 1.978 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.623 8.465 1.771 1.00 0.00 C ATOM 0 H VAL A 42 -18.092 8.024 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.049 6.371 0.508 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.033 9.414 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.077 9.173 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.054 8.412 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.068 7.403 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.617 9.280 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.503 7.515 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.802 8.599 1.067 1.00 0.00 H new ATOM 749 N TYR A 43 -21.117 8.427 -1.856 1.00 0.00 N ATOM 750 CA TYR A 43 -22.220 8.695 -2.774 1.00 0.00 C ATOM 751 C TYR A 43 -22.658 7.421 -3.491 1.00 0.00 C ATOM 752 O TYR A 43 -23.847 7.205 -3.722 1.00 0.00 O ATOM 753 CB TYR A 43 -21.807 9.751 -3.801 1.00 0.00 C ATOM 754 CG TYR A 43 -22.961 10.289 -4.617 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.999 10.987 -4.010 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.013 10.101 -5.992 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.055 11.481 -4.752 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.065 10.591 -6.741 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.084 11.281 -6.117 1.00 0.00 C ATOM 760 OH TYR A 43 -26.134 11.771 -6.858 1.00 0.00 O ATOM 0 H TYR A 43 -20.291 9.005 -2.010 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.061 9.069 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.323 10.579 -3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.067 9.320 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -23.980 11.146 -2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.217 9.562 -6.484 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.854 12.021 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.090 10.435 -7.809 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.001 11.545 -7.802 1.00 0.00 H new ATOM 770 N ARG A 44 -21.691 6.582 -3.842 1.00 0.00 N ATOM 771 CA ARG A 44 -21.977 5.330 -4.532 1.00 0.00 C ATOM 772 C ARG A 44 -22.742 4.370 -3.627 1.00 0.00 C ATOM 773 O ARG A 44 -23.683 3.707 -4.064 1.00 0.00 O ATOM 774 CB ARG A 44 -20.678 4.676 -5.006 1.00 0.00 C ATOM 775 CG ARG A 44 -20.867 3.727 -6.179 1.00 0.00 C ATOM 776 CD ARG A 44 -20.926 4.478 -7.499 1.00 0.00 C ATOM 777 NE ARG A 44 -21.381 3.624 -8.594 1.00 0.00 N ATOM 778 CZ ARG A 44 -21.821 4.087 -9.761 1.00 0.00 C ATOM 779 NH1 ARG A 44 -21.871 5.395 -9.988 1.00 0.00 N ATOM 780 NH2 ARG A 44 -22.215 3.243 -10.704 1.00 0.00 N ATOM 0 H ARG A 44 -20.701 6.746 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.599 5.557 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.971 5.456 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.232 4.129 -4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.047 3.010 -6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -21.786 3.156 -6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -21.598 5.331 -7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -19.939 4.875 -7.735 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.360 2.614 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.571 6.050 -9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -22.209 5.744 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -22.181 2.238 -10.535 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.552 3.599 -11.598 1.00 0.00 H new ATOM 794 N LEU A 45 -22.332 4.298 -2.366 1.00 0.00 N ATOM 795 CA LEU A 45 -22.978 3.418 -1.400 1.00 0.00 C ATOM 796 C LEU A 45 -24.286 4.018 -0.894 1.00 0.00 C ATOM 797 O LEU A 45 -25.227 3.294 -0.568 1.00 0.00 O ATOM 798 CB LEU A 45 -22.037 3.147 -0.222 1.00 0.00 C ATOM 799 CG LEU A 45 -21.135 1.920 -0.381 1.00 0.00 C ATOM 800 CD1 LEU A 45 -21.944 0.642 -0.237 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.420 1.954 -1.724 1.00 0.00 C ATOM 0 H LEU A 45 -21.554 4.839 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.207 2.478 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.408 4.024 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.636 3.024 0.681 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.383 1.940 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.287 -0.220 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.408 0.614 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.718 0.613 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.783 1.074 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.156 1.958 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.808 2.854 -1.788 1.00 0.00 H new ATOM 813 N GLN A 46 -24.338 5.344 -0.829 1.00 0.00 N ATOM 814 CA GLN A 46 -25.532 6.039 -0.359 1.00 0.00 C ATOM 815 C GLN A 46 -25.738 7.349 -1.118 1.00 0.00 C ATOM 816 O GLN A 46 -25.602 8.433 -0.551 1.00 0.00 O ATOM 817 CB GLN A 46 -25.427 6.312 1.143 1.00 0.00 C ATOM 818 CG GLN A 46 -24.118 6.969 1.551 1.00 0.00 C ATOM 819 CD GLN A 46 -24.181 7.578 2.937 1.00 0.00 C ATOM 820 OE1 GLN A 46 -23.380 7.248 3.810 1.00 0.00 O ATOM 821 NE2 GLN A 46 -25.137 8.477 3.145 1.00 0.00 N ATOM 0 H GLN A 46 -23.569 5.959 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.394 5.398 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -26.255 6.952 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -25.536 5.372 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -23.318 6.229 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -23.864 7.744 0.828 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -25.780 8.721 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -25.228 8.923 4.058 1.00 0.00 H new ATOM 830 N PRO A 47 -26.073 7.263 -2.417 1.00 0.00 N ATOM 831 CA PRO A 47 -26.303 8.446 -3.252 1.00 0.00 C ATOM 832 C PRO A 47 -27.593 9.168 -2.882 1.00 0.00 C ATOM 833 O PRO A 47 -27.717 10.377 -3.076 1.00 0.00 O ATOM 834 CB PRO A 47 -26.398 7.871 -4.665 1.00 0.00 C ATOM 835 CG PRO A 47 -26.860 6.467 -4.472 1.00 0.00 C ATOM 836 CD PRO A 47 -26.261 6.009 -3.170 1.00 0.00 C ATOM 0 HA PRO A 47 -25.515 9.190 -3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.099 8.438 -5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.434 7.904 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.948 6.415 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.534 5.832 -5.296 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -26.922 5.320 -2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.316 5.488 -3.324 1.00 0.00 H new ATOM 844 N GLY A 48 -28.550 8.418 -2.348 1.00 0.00 N ATOM 845 CA GLY A 48 -29.820 9.000 -1.957 1.00 0.00 C ATOM 846 C GLY A 48 -29.749 9.722 -0.624 1.00 0.00 C ATOM 847 O GLY A 48 -30.722 10.346 -0.201 1.00 0.00 O ATOM 0 H GLY A 48 -28.469 7.415 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.147 9.699 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.573 8.214 -1.900 1.00 0.00 H new ATOM 851 N LEU A 49 -28.599 9.643 0.041 1.00 0.00 N ATOM 852 CA LEU A 49 -28.419 10.300 1.331 1.00 0.00 C ATOM 853 C LEU A 49 -27.145 11.139 1.350 1.00 0.00 C ATOM 854 O LEU A 49 -26.563 11.373 2.411 1.00 0.00 O ATOM 855 CB LEU A 49 -28.381 9.259 2.454 1.00 0.00 C ATOM 856 CG LEU A 49 -29.668 9.147 3.274 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.593 7.962 4.224 1.00 0.00 C ATOM 858 CD2 LEU A 49 -29.923 10.435 4.043 1.00 0.00 C ATOM 0 H LEU A 49 -27.781 9.132 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.266 10.967 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.159 8.285 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.559 9.502 3.127 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.501 8.985 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.517 7.898 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.457 7.045 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -28.751 8.093 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -30.842 10.338 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.089 10.627 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.021 11.264 3.342 1.00 0.00 H new ATOM 870 N LEU A 50 -26.717 11.594 0.176 1.00 0.00 N ATOM 871 CA LEU A 50 -25.510 12.408 0.072 1.00 0.00 C ATOM 872 C LEU A 50 -25.628 13.419 -1.066 1.00 0.00 C ATOM 873 O LEU A 50 -26.360 13.204 -2.031 1.00 0.00 O ATOM 874 CB LEU A 50 -24.287 11.516 -0.144 1.00 0.00 C ATOM 875 CG LEU A 50 -23.235 11.582 0.965 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.502 10.516 2.016 1.00 0.00 C ATOM 877 CD2 LEU A 50 -21.838 11.422 0.385 1.00 0.00 C ATOM 0 H LEU A 50 -27.185 11.414 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.390 12.957 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.622 10.484 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.816 11.792 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.299 12.560 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.744 10.577 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -24.488 10.675 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.466 9.530 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.103 11.472 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.761 10.458 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.648 12.221 -0.331 1.00 0.00 H new ATOM 889 N GLU A 51 -24.889 14.517 -0.947 1.00 0.00 N ATOM 890 CA GLU A 51 -24.894 15.564 -1.964 1.00 0.00 C ATOM 891 C GLU A 51 -23.489 16.136 -2.161 1.00 0.00 C ATOM 892 O GLU A 51 -23.303 17.353 -2.195 1.00 0.00 O ATOM 893 CB GLU A 51 -25.862 16.682 -1.572 1.00 0.00 C ATOM 894 CG GLU A 51 -27.310 16.224 -1.463 1.00 0.00 C ATOM 895 CD GLU A 51 -28.217 16.919 -2.460 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.906 18.064 -2.852 1.00 0.00 O ATOM 897 OE2 GLU A 51 -29.241 16.318 -2.850 1.00 0.00 O ATOM 0 H GLU A 51 -24.277 14.706 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.224 15.122 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.550 17.103 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.797 17.482 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.360 15.147 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.673 16.415 -0.453 1.00 0.00 H new ATOM 904 N PRO A 52 -22.476 15.258 -2.295 1.00 0.00 N ATOM 905 CA PRO A 52 -21.084 15.680 -2.486 1.00 0.00 C ATOM 906 C PRO A 52 -20.895 16.540 -3.731 1.00 0.00 C ATOM 907 O PRO A 52 -19.887 17.232 -3.867 1.00 0.00 O ATOM 908 CB PRO A 52 -20.314 14.362 -2.627 1.00 0.00 C ATOM 909 CG PRO A 52 -21.344 13.336 -2.950 1.00 0.00 C ATOM 910 CD PRO A 52 -22.604 13.793 -2.275 1.00 0.00 C ATOM 0 HA PRO A 52 -20.741 16.301 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.564 14.427 -3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.787 14.114 -1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.487 13.251 -4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.042 12.352 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.493 13.458 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.680 13.408 -1.258 1.00 0.00 H new ATOM 918 N SER A 53 -21.867 16.498 -4.636 1.00 0.00 N ATOM 919 CA SER A 53 -21.795 17.281 -5.862 1.00 0.00 C ATOM 920 C SER A 53 -21.634 18.762 -5.544 1.00 0.00 C ATOM 921 O SER A 53 -20.821 19.457 -6.155 1.00 0.00 O ATOM 922 CB SER A 53 -23.051 17.061 -6.709 1.00 0.00 C ATOM 923 OG SER A 53 -22.863 16.005 -7.636 1.00 0.00 O ATOM 0 H SER A 53 -22.711 15.932 -4.543 1.00 0.00 H new ATOM 0 HA SER A 53 -20.925 16.950 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.896 16.833 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.298 17.978 -7.243 1.00 0.00 H new ATOM 0 HG SER A 53 -23.680 15.883 -8.163 1.00 0.00 H new ATOM 929 N GLU A 54 -22.412 19.238 -4.579 1.00 0.00 N ATOM 930 CA GLU A 54 -22.357 20.636 -4.170 1.00 0.00 C ATOM 931 C GLU A 54 -21.067 20.930 -3.406 1.00 0.00 C ATOM 932 O GLU A 54 -20.355 21.885 -3.711 1.00 0.00 O ATOM 933 CB GLU A 54 -23.567 20.983 -3.301 1.00 0.00 C ATOM 934 CG GLU A 54 -24.735 21.557 -4.090 1.00 0.00 C ATOM 935 CD GLU A 54 -26.013 21.614 -3.277 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.512 20.540 -2.880 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.516 22.732 -3.039 1.00 0.00 O ATOM 0 H GLU A 54 -23.089 18.675 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.375 21.252 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.898 20.086 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.264 21.702 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.480 22.560 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.901 20.950 -4.980 1.00 0.00 H new ATOM 944 N LEU A 55 -20.778 20.097 -2.411 1.00 0.00 N ATOM 945 CA LEU A 55 -19.580 20.258 -1.593 1.00 0.00 C ATOM 946 C LEU A 55 -18.310 19.931 -2.379 1.00 0.00 C ATOM 947 O LEU A 55 -17.201 20.177 -1.906 1.00 0.00 O ATOM 948 CB LEU A 55 -19.663 19.368 -0.353 1.00 0.00 C ATOM 949 CG LEU A 55 -20.920 19.563 0.501 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.941 18.477 0.203 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.564 19.571 1.981 1.00 0.00 C ATOM 0 H LEU A 55 -21.360 19.300 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.529 21.304 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.614 18.326 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.787 19.554 0.269 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.361 20.527 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.827 18.632 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -22.219 18.518 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -21.510 17.501 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.469 19.711 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.099 18.622 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.869 20.386 2.184 1.00 0.00 H new ATOM 963 N GLN A 56 -18.475 19.370 -3.572 1.00 0.00 N ATOM 964 CA GLN A 56 -17.336 19.005 -4.405 1.00 0.00 C ATOM 965 C GLN A 56 -16.493 20.229 -4.750 1.00 0.00 C ATOM 966 O GLN A 56 -15.272 20.138 -4.870 1.00 0.00 O ATOM 967 CB GLN A 56 -17.819 18.322 -5.688 1.00 0.00 C ATOM 968 CG GLN A 56 -16.710 18.039 -6.690 1.00 0.00 C ATOM 969 CD GLN A 56 -16.829 18.879 -7.947 1.00 0.00 C ATOM 970 OE1 GLN A 56 -15.927 19.647 -8.282 1.00 0.00 O ATOM 971 NE2 GLN A 56 -17.946 18.736 -8.650 1.00 0.00 N ATOM 0 H GLN A 56 -19.384 19.159 -3.983 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.713 18.310 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.307 17.383 -5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.572 18.952 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.745 18.229 -6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.731 16.983 -6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.667 18.088 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -18.083 19.275 -9.505 1.00 0.00 H new ATOM 980 N GLY A 57 -17.151 21.372 -4.903 1.00 0.00 N ATOM 981 CA GLY A 57 -16.438 22.593 -5.227 1.00 0.00 C ATOM 982 C GLY A 57 -16.801 23.746 -4.309 1.00 0.00 C ATOM 983 O GLY A 57 -16.343 24.872 -4.508 1.00 0.00 O ATOM 0 H GLY A 57 -18.161 21.475 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.365 22.409 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.655 22.873 -6.258 1.00 0.00 H new ATOM 987 N LEU A 58 -17.622 23.470 -3.299 1.00 0.00 N ATOM 988 CA LEU A 58 -18.037 24.496 -2.351 1.00 0.00 C ATOM 989 C LEU A 58 -17.026 24.630 -1.218 1.00 0.00 C ATOM 990 O LEU A 58 -16.890 25.696 -0.617 1.00 0.00 O ATOM 991 CB LEU A 58 -19.420 24.169 -1.783 1.00 0.00 C ATOM 992 CG LEU A 58 -20.547 25.076 -2.280 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.454 24.327 -3.245 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.349 25.627 -1.111 1.00 0.00 C ATOM 0 H LEU A 58 -18.012 22.545 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.088 25.446 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.666 23.137 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.375 24.231 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.099 25.915 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.249 24.990 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.872 23.987 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.892 23.466 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.145 26.269 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.784 24.802 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.693 26.205 -0.460 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.319 23.543 -0.932 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.330 23.564 0.130 1.00 0.00 C ATOM 1008 C GLY A 59 -14.682 22.212 0.351 1.00 0.00 C ATOM 1009 O GLY A 59 -15.371 21.215 0.573 1.00 0.00 O ATOM 0 H GLY A 59 -16.412 22.649 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.560 24.297 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.803 23.891 1.056 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.355 22.176 0.291 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.614 20.938 0.489 1.00 0.00 C ATOM 1015 C ALA A 60 -12.880 20.356 1.873 1.00 0.00 C ATOM 1016 O ALA A 60 -13.365 19.232 2.003 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.124 21.178 0.294 1.00 0.00 C ATOM 0 H ALA A 60 -12.771 22.992 0.107 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.955 20.216 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.582 20.244 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.943 21.543 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.777 21.919 1.014 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.561 21.130 2.905 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.767 20.694 4.281 1.00 0.00 C ATOM 1025 C LEU A 61 -14.246 20.448 4.559 1.00 0.00 C ATOM 1026 O LEU A 61 -14.608 19.516 5.278 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.219 21.738 5.256 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.999 21.239 6.685 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.802 21.933 7.316 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -13.249 21.459 7.525 1.00 0.00 C ATOM 0 H LEU A 61 -12.159 22.063 2.814 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.229 19.757 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.271 22.112 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.908 22.583 5.285 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.794 20.169 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.662 21.565 8.332 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.908 21.724 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.977 23.009 7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.074 21.098 8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.485 22.523 7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.084 20.914 7.085 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.098 21.291 3.986 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.539 21.166 4.171 1.00 0.00 C ATOM 1044 C GLU A 62 -17.043 19.823 3.651 1.00 0.00 C ATOM 1045 O GLU A 62 -17.823 19.143 4.317 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.267 22.307 3.458 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.535 22.756 4.165 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.342 24.037 4.952 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -17.974 23.952 6.143 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -18.559 25.125 4.379 1.00 0.00 O ATOM 0 H GLU A 62 -14.816 22.069 3.389 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.747 21.222 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.591 23.157 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.518 21.990 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.325 22.902 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.870 21.967 4.839 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.592 19.450 2.458 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.999 18.189 1.849 1.00 0.00 C ATOM 1059 C ALA A 63 -16.523 16.999 2.674 1.00 0.00 C ATOM 1060 O ALA A 63 -17.242 16.015 2.837 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.466 18.094 0.427 1.00 0.00 C ATOM 0 H ALA A 63 -15.945 20.002 1.894 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.088 18.164 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.777 17.148 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.861 18.919 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.377 18.147 0.442 1.00 0.00 H new ATOM 1067 N THR A 64 -15.303 17.096 3.193 1.00 0.00 N ATOM 1068 CA THR A 64 -14.727 16.027 4.001 1.00 0.00 C ATOM 1069 C THR A 64 -15.476 15.876 5.322 1.00 0.00 C ATOM 1070 O THR A 64 -15.883 14.775 5.693 1.00 0.00 O ATOM 1071 CB THR A 64 -13.247 16.303 4.268 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.664 17.003 3.185 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.436 15.047 4.495 1.00 0.00 C ATOM 0 H THR A 64 -14.694 17.905 3.068 1.00 0.00 H new ATOM 0 HA THR A 64 -14.821 15.095 3.444 1.00 0.00 H new ATOM 0 HB THR A 64 -13.224 16.899 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.906 17.951 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.395 15.314 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.830 14.510 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.497 14.410 3.613 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.653 16.988 6.026 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.350 16.979 7.307 1.00 0.00 C ATOM 1083 C ALA A 65 -17.785 16.485 7.150 1.00 0.00 C ATOM 1084 O ALA A 65 -18.268 15.691 7.957 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.334 18.368 7.927 1.00 0.00 C ATOM 0 H ALA A 65 -15.324 17.907 5.732 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.827 16.290 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.858 18.346 8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.303 18.684 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.830 19.071 7.258 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.461 16.960 6.110 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.841 16.566 5.851 1.00 0.00 C ATOM 1093 C TRP A 66 -19.927 15.091 5.475 1.00 0.00 C ATOM 1094 O TRP A 66 -20.842 14.385 5.898 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.436 17.424 4.733 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.880 17.763 4.948 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.377 18.828 5.643 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -23.015 17.034 4.465 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.751 18.804 5.621 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.166 17.713 4.904 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -23.168 15.871 3.702 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.452 17.269 4.607 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -24.444 15.431 3.408 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.571 16.130 3.860 1.00 0.00 C ATOM 0 H TRP A 66 -18.076 17.618 5.433 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.414 16.722 6.765 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.862 18.347 4.649 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.331 16.896 3.785 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -21.778 19.579 6.137 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.363 19.488 6.066 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -22.304 15.327 3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.323 17.805 4.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -24.575 14.534 2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.555 15.761 3.613 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.969 14.631 4.676 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.938 13.241 4.240 1.00 0.00 C ATOM 1117 C ALA A 67 -18.581 12.306 5.392 1.00 0.00 C ATOM 1118 O ALA A 67 -19.139 11.217 5.514 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.950 13.070 3.097 1.00 0.00 C ATOM 0 H ALA A 67 -18.204 15.202 4.318 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.936 12.976 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.937 12.027 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.250 13.699 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.954 13.361 3.431 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.644 12.735 6.230 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.211 11.932 7.368 1.00 0.00 C ATOM 1127 C LEU A 68 -18.351 11.723 8.362 1.00 0.00 C ATOM 1128 O LEU A 68 -18.520 10.631 8.906 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.028 12.604 8.070 1.00 0.00 C ATOM 1130 CG LEU A 68 -15.161 11.666 8.916 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.787 11.496 8.289 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -15.037 12.192 10.340 1.00 0.00 C ATOM 0 H LEU A 68 -17.170 13.634 6.143 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.901 10.957 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.398 13.076 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.409 13.399 8.711 1.00 0.00 H new ATOM 0 HG LEU A 68 -15.645 10.690 8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.186 10.826 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.893 11.073 7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.295 12.466 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -14.418 11.513 10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.577 13.180 10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -16.027 12.260 10.790 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.127 12.775 8.600 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.245 12.704 9.536 1.00 0.00 C ATOM 1146 C LYS A 69 -21.384 11.856 8.977 1.00 0.00 C ATOM 1147 O LYS A 69 -21.910 10.980 9.665 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.752 14.111 9.859 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.200 14.279 11.304 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.671 14.654 11.395 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.568 13.455 11.131 1.00 0.00 C ATOM 1152 NZ LYS A 69 -24.978 13.717 11.531 1.00 0.00 N ATOM 0 H LYS A 69 -19.003 13.686 8.159 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.887 12.230 10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.962 14.831 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.586 14.348 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.026 13.351 11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -20.597 15.049 11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.884 15.059 12.384 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.892 15.441 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.532 13.201 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -23.190 12.591 11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -25.457 12.815 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -24.992 14.308 12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -25.471 14.212 10.761 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.764 12.123 7.733 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.845 11.382 7.090 1.00 0.00 C ATOM 1168 C VAL A 70 -22.448 9.935 6.825 1.00 0.00 C ATOM 1169 O VAL A 70 -23.219 9.013 7.088 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.272 12.038 5.763 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.827 13.433 6.009 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -22.103 12.086 4.790 1.00 0.00 C ATOM 0 H VAL A 70 -21.341 12.845 7.150 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.687 11.401 7.782 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.061 11.432 5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.123 13.879 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.694 13.369 6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.062 14.052 6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.424 12.553 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.290 12.667 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.756 11.073 4.588 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.238 9.737 6.308 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.748 8.396 6.014 1.00 0.00 C ATOM 1184 C ALA A 71 -20.818 7.521 7.258 1.00 0.00 C ATOM 1185 O ALA A 71 -21.290 6.386 7.208 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.323 8.455 5.485 1.00 0.00 C ATOM 0 H ALA A 71 -20.582 10.486 6.085 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.383 7.956 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.972 7.445 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.298 9.049 4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.676 8.913 6.233 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.360 8.067 8.376 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.381 7.350 9.643 1.00 0.00 C ATOM 1194 C GLU A 72 -21.815 7.194 10.141 1.00 0.00 C ATOM 1195 O GLU A 72 -22.177 6.169 10.714 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.540 8.089 10.686 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.563 7.440 12.061 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.884 8.428 13.167 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -19.691 9.643 12.952 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -20.326 7.986 14.248 1.00 0.00 O ATOM 0 H GLU A 72 -19.968 9.007 8.431 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.955 6.359 9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.509 8.143 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.901 9.114 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.302 6.639 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.594 6.981 12.258 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.623 8.224 9.927 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.014 8.208 10.361 1.00 0.00 C ATOM 1209 C ASN A 73 -24.840 7.203 9.558 1.00 0.00 C ATOM 1210 O ASN A 73 -25.688 6.502 10.112 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.625 9.603 10.228 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.600 10.373 11.533 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -25.742 10.935 11.911 1.00 0.00 O flip ATOM 1214 ND2 ASN A 73 -23.565 10.462 12.195 1.00 0.00 N flip ATOM 0 H ASN A 73 -22.339 9.082 9.455 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.031 7.902 11.407 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.081 10.164 9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.655 9.514 9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -22.709 10.014 11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.564 10.984 13.072 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.602 7.152 8.252 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.339 6.249 7.374 1.00 0.00 C ATOM 1223 C GLU A 74 -24.790 4.823 7.410 1.00 0.00 C ATOM 1224 O GLU A 74 -25.556 3.859 7.420 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.316 6.778 5.938 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.679 6.769 5.267 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.931 5.502 4.473 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -26.951 4.413 5.085 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.108 5.598 3.241 1.00 0.00 O ATOM 0 H GLU A 74 -23.904 7.725 7.777 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.365 6.212 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.928 7.797 5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.625 6.175 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -27.454 6.878 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -26.759 7.631 4.604 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.467 4.687 7.403 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.841 3.365 7.407 1.00 0.00 C ATOM 1238 C LEU A 75 -22.415 2.931 8.808 1.00 0.00 C ATOM 1239 O LEU A 75 -22.566 1.766 9.175 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.630 3.349 6.473 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.962 3.184 4.986 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -21.537 4.415 4.200 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -21.297 1.937 4.424 1.00 0.00 C ATOM 0 H LEU A 75 -22.811 5.468 7.395 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.589 2.656 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.076 4.278 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.968 2.537 6.774 1.00 0.00 H new ATOM 0 HG LEU A 75 -23.042 3.072 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.782 4.277 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -22.062 5.290 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -20.462 4.561 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.545 1.837 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.216 2.019 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -21.653 1.060 4.964 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.876 3.864 9.585 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.434 3.535 10.930 1.00 0.00 C ATOM 1257 C GLY A 76 -19.949 3.242 10.995 1.00 0.00 C ATOM 1258 O GLY A 76 -19.491 2.506 11.867 1.00 0.00 O ATOM 0 H GLY A 76 -21.737 4.837 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.668 4.363 11.599 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.989 2.668 11.290 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.192 3.820 10.065 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.749 3.616 10.019 1.00 0.00 C ATOM 1264 C ILE A 77 -17.031 4.532 11.004 1.00 0.00 C ATOM 1265 O ILE A 77 -17.242 5.747 11.006 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.193 3.858 8.600 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -15.701 3.523 8.546 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -17.436 5.299 8.171 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -15.185 3.289 7.144 1.00 0.00 C ATOM 0 H ILE A 77 -19.555 4.432 9.335 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.566 2.579 10.299 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.717 3.201 7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.137 4.338 9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -15.515 2.632 9.146 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -17.038 5.452 7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.507 5.503 8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.938 5.975 8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.121 3.057 7.182 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.723 2.455 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.339 4.187 6.545 1.00 0.00 H new ATOM 1281 N THR A 78 -16.185 3.944 11.843 1.00 0.00 N ATOM 1282 CA THR A 78 -15.438 4.706 12.837 1.00 0.00 C ATOM 1283 C THR A 78 -14.307 5.499 12.181 1.00 0.00 C ATOM 1284 O THR A 78 -13.370 4.919 11.635 1.00 0.00 O ATOM 1285 CB THR A 78 -14.864 3.766 13.898 1.00 0.00 C ATOM 1286 OG1 THR A 78 -13.983 4.464 14.760 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.106 2.596 13.315 1.00 0.00 C ATOM 0 H THR A 78 -15.999 2.941 11.854 1.00 0.00 H new ATOM 0 HA THR A 78 -16.123 5.409 13.311 1.00 0.00 H new ATOM 0 HB THR A 78 -15.727 3.382 14.441 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.627 3.847 15.433 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.726 1.970 14.122 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.773 2.009 12.684 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.272 2.964 12.718 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.378 6.844 12.226 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.350 7.706 11.632 1.00 0.00 C ATOM 1297 C PRO A 79 -11.949 7.366 12.131 1.00 0.00 C ATOM 1298 O PRO A 79 -11.757 7.059 13.308 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.751 9.111 12.090 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.213 9.021 12.353 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.457 7.626 12.857 1.00 0.00 C ATOM 0 HA PRO A 79 -13.304 7.593 10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.205 9.406 12.986 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.532 9.855 11.324 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.523 9.762 13.090 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.785 9.214 11.446 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.406 7.577 13.945 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.442 7.260 12.567 1.00 0.00 H new ATOM 1309 N VAL A 80 -10.976 7.422 11.228 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.591 7.118 11.577 1.00 0.00 C ATOM 1311 C VAL A 80 -8.691 8.342 11.415 1.00 0.00 C ATOM 1312 O VAL A 80 -7.559 8.356 11.898 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.034 5.969 10.717 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -7.654 5.554 11.204 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -9.988 4.784 10.727 1.00 0.00 C ATOM 0 H VAL A 80 -11.119 7.675 10.250 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.594 6.813 12.624 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.939 6.323 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.278 4.741 10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.975 6.404 11.139 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.719 5.219 12.239 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.578 3.982 10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.117 4.430 11.750 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.953 5.091 10.325 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.194 9.369 10.735 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.425 10.589 10.516 1.00 0.00 C ATOM 1327 C VAL A 81 -9.335 11.812 10.484 1.00 0.00 C ATOM 1328 O VAL A 81 -10.541 11.697 10.274 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.629 10.523 9.199 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.458 9.563 9.329 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -8.536 10.119 8.046 1.00 0.00 C ATOM 0 H VAL A 81 -10.129 9.380 10.327 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.728 10.678 11.349 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.231 11.515 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.908 9.530 8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.795 9.903 10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.829 8.566 9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.956 10.078 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.966 9.138 8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.336 10.851 7.939 1.00 0.00 H new ATOM 1341 N SER A 82 -8.746 12.986 10.694 1.00 0.00 N ATOM 1342 CA SER A 82 -9.503 14.232 10.690 1.00 0.00 C ATOM 1343 C SER A 82 -9.633 14.783 9.274 1.00 0.00 C ATOM 1344 O SER A 82 -8.851 14.440 8.388 1.00 0.00 O ATOM 1345 CB SER A 82 -8.827 15.267 11.592 1.00 0.00 C ATOM 1346 OG SER A 82 -9.347 15.213 12.909 1.00 0.00 O ATOM 0 H SER A 82 -7.748 13.100 10.869 1.00 0.00 H new ATOM 0 HA SER A 82 -10.502 14.023 11.074 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.752 15.088 11.614 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.975 16.265 11.180 1.00 0.00 H new ATOM 0 HG SER A 82 -8.898 15.883 13.466 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.629 15.640 9.067 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.863 16.237 7.758 1.00 0.00 C ATOM 1354 C ALA A 83 -9.696 17.125 7.344 1.00 0.00 C ATOM 1355 O ALA A 83 -9.249 17.087 6.197 1.00 0.00 O ATOM 1356 CB ALA A 83 -12.158 17.034 7.767 1.00 0.00 C ATOM 0 H ALA A 83 -11.286 15.936 9.789 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.949 15.432 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.321 17.475 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.990 16.374 8.011 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.093 17.826 8.513 1.00 0.00 H new ATOM 1362 N GLN A 84 -9.208 17.929 8.283 1.00 0.00 N ATOM 1363 CA GLN A 84 -8.092 18.831 8.018 1.00 0.00 C ATOM 1364 C GLN A 84 -6.871 18.059 7.524 1.00 0.00 C ATOM 1365 O GLN A 84 -6.181 18.495 6.602 1.00 0.00 O ATOM 1366 CB GLN A 84 -7.735 19.620 9.278 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.906 20.864 9.003 1.00 0.00 C ATOM 1368 CD GLN A 84 -6.592 21.645 10.264 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -7.091 22.753 10.461 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -5.761 21.070 11.124 1.00 0.00 N ATOM 0 H GLN A 84 -9.568 17.975 9.236 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.399 19.527 7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.654 19.911 9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.185 18.971 9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.974 20.575 8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.443 21.507 8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.371 20.150 10.919 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.512 21.548 11.990 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.612 16.914 8.144 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.475 16.083 7.769 1.00 0.00 C ATOM 1381 C ALA A 85 -5.628 15.556 6.346 1.00 0.00 C ATOM 1382 O ALA A 85 -4.661 15.511 5.584 1.00 0.00 O ATOM 1383 CB ALA A 85 -5.322 14.928 8.747 1.00 0.00 C ATOM 0 H ALA A 85 -7.174 16.540 8.909 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.576 16.699 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.469 14.315 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.161 15.320 9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.227 14.320 8.736 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.847 15.160 5.995 1.00 0.00 N ATOM 1390 CA VAL A 86 -7.126 14.636 4.663 1.00 0.00 C ATOM 1391 C VAL A 86 -6.905 15.702 3.595 1.00 0.00 C ATOM 1392 O VAL A 86 -6.204 15.470 2.609 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.571 14.111 4.556 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.797 13.429 3.216 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.884 13.163 5.705 1.00 0.00 C ATOM 0 H VAL A 86 -7.657 15.192 6.614 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.434 13.810 4.498 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.250 14.961 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.823 13.066 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.621 14.142 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.109 12.590 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.909 12.803 5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.198 12.316 5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.770 13.689 6.653 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.508 16.870 3.795 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.377 17.969 2.846 1.00 0.00 C ATOM 1407 C VAL A 87 -5.927 18.426 2.726 1.00 0.00 C ATOM 1408 O VAL A 87 -5.495 18.882 1.668 1.00 0.00 O ATOM 1409 CB VAL A 87 -8.250 19.171 3.257 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -8.225 20.245 2.180 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.674 18.723 3.543 1.00 0.00 C ATOM 0 H VAL A 87 -8.091 17.079 4.605 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.716 17.594 1.880 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.839 19.599 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.847 21.085 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.201 20.587 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.609 19.833 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.276 19.585 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.099 18.267 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.670 17.995 4.354 1.00 0.00 H new ATOM 1421 N ALA A 88 -5.180 18.305 3.819 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.780 18.707 3.835 1.00 0.00 C ATOM 1423 C ALA A 88 -2.870 17.597 3.314 1.00 0.00 C ATOM 1424 O ALA A 88 -1.698 17.834 3.019 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.366 19.111 5.242 1.00 0.00 C ATOM 0 H ALA A 88 -5.522 17.932 4.705 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.672 19.564 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.318 19.409 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.981 19.947 5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.502 18.267 5.918 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.410 16.387 3.200 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.624 15.267 2.712 1.00 0.00 C ATOM 1433 C GLY A 89 -1.358 15.050 3.519 1.00 0.00 C ATOM 1434 O GLY A 89 -0.317 14.695 2.968 1.00 0.00 O ATOM 0 H GLY A 89 -4.376 16.162 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.230 14.361 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.361 15.439 1.668 1.00 0.00 H new ATOM 1438 N SER A 90 -1.447 15.267 4.828 1.00 0.00 N ATOM 1439 CA SER A 90 -0.300 15.096 5.710 1.00 0.00 C ATOM 1440 C SER A 90 -0.494 13.891 6.627 1.00 0.00 C ATOM 1441 O SER A 90 -0.002 13.872 7.756 1.00 0.00 O ATOM 1442 CB SER A 90 -0.077 16.362 6.544 1.00 0.00 C ATOM 1443 OG SER A 90 -1.182 17.243 6.444 1.00 0.00 O ATOM 0 H SER A 90 -2.302 15.562 5.300 1.00 0.00 H new ATOM 0 HA SER A 90 0.580 14.919 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.081 16.090 7.588 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.827 16.869 6.206 1.00 0.00 H new ATOM 0 HG SER A 90 -1.014 18.041 6.987 1.00 0.00 H new ATOM 1449 N ASP A 91 -1.213 12.888 6.135 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.471 11.680 6.910 1.00 0.00 C ATOM 1451 C ASP A 91 -1.638 10.469 5.994 1.00 0.00 C ATOM 1452 O ASP A 91 -2.713 9.872 5.927 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.722 11.862 7.772 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.619 11.140 9.101 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.886 10.131 9.173 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -3.271 11.584 10.069 1.00 0.00 O ATOM 0 H ASP A 91 -1.628 12.888 5.203 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.613 11.503 7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.885 12.925 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.592 11.493 7.228 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.572 10.089 5.269 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.606 8.944 4.352 1.00 0.00 C ATOM 1463 C PRO A 92 -1.010 7.653 5.057 1.00 0.00 C ATOM 1464 O PRO A 92 -1.804 6.871 4.533 1.00 0.00 O ATOM 1465 CB PRO A 92 0.835 8.843 3.842 1.00 0.00 C ATOM 1466 CG PRO A 92 1.413 10.200 4.053 1.00 0.00 C ATOM 1467 CD PRO A 92 0.749 10.745 5.283 1.00 0.00 C ATOM 0 HA PRO A 92 -1.341 9.083 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.396 8.085 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.863 8.561 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.494 10.148 4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.227 10.842 3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.310 10.502 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.660 11.831 5.246 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.459 7.436 6.246 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.761 6.239 7.022 1.00 0.00 C ATOM 1477 C LEU A 93 -2.237 6.200 7.408 1.00 0.00 C ATOM 1478 O LEU A 93 -2.854 5.134 7.432 1.00 0.00 O ATOM 1479 CB LEU A 93 0.109 6.186 8.279 1.00 0.00 C ATOM 1480 CG LEU A 93 1.429 5.427 8.122 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.558 6.386 7.781 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.752 4.650 9.389 1.00 0.00 C ATOM 0 H LEU A 93 0.199 8.074 6.694 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.542 5.370 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.329 7.206 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.466 5.723 9.081 1.00 0.00 H new ATOM 0 HG LEU A 93 1.322 4.717 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.489 5.829 7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.331 6.898 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.665 7.120 8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.694 4.117 9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.839 5.341 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.955 3.934 9.590 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.796 7.366 7.709 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.193 7.442 8.090 1.00 0.00 C ATOM 1496 C GLY A 94 -5.127 7.199 6.921 1.00 0.00 C ATOM 1497 O GLY A 94 -6.156 6.538 7.066 1.00 0.00 O ATOM 0 H GLY A 94 -2.306 8.261 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.394 6.708 8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.397 8.424 8.516 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.769 7.735 5.758 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.583 7.572 4.559 1.00 0.00 C ATOM 1503 C LEU A 95 -5.723 6.098 4.191 1.00 0.00 C ATOM 1504 O LEU A 95 -6.810 5.635 3.843 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.969 8.351 3.392 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.765 9.579 2.943 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.834 10.744 2.652 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.606 9.249 1.718 1.00 0.00 C ATOM 0 H LEU A 95 -3.921 8.285 5.621 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.577 7.968 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.966 8.671 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.860 7.677 2.542 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.434 9.870 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.419 11.607 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.275 10.997 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.139 10.465 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.166 10.133 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.954 8.932 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.301 8.445 1.960 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.617 5.365 4.272 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.619 3.942 3.949 1.00 0.00 C ATOM 1522 C ILE A 96 -5.427 3.150 4.972 1.00 0.00 C ATOM 1523 O ILE A 96 -6.174 2.239 4.617 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.186 3.376 3.886 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.324 4.218 2.944 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.206 1.921 3.437 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.840 3.951 3.083 1.00 0.00 C ATOM 0 H ILE A 96 -3.709 5.732 4.558 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.081 3.839 2.967 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.751 3.420 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.626 4.022 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.515 5.274 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.186 1.538 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.789 1.330 4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.657 1.852 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.290 4.582 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.524 4.175 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.637 2.903 2.862 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.272 3.504 6.245 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.985 2.827 7.318 1.00 0.00 C ATOM 1541 C ALA A 97 -7.494 2.946 7.135 1.00 0.00 C ATOM 1542 O ALA A 97 -8.226 1.967 7.276 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.569 3.392 8.667 1.00 0.00 C ATOM 0 H ALA A 97 -4.658 4.257 6.556 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.723 1.769 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.110 2.876 9.460 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.497 3.249 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.801 4.457 8.703 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.953 4.153 6.820 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.376 4.401 6.617 1.00 0.00 C ATOM 1551 C TYR A 98 -9.880 3.673 5.375 1.00 0.00 C ATOM 1552 O TYR A 98 -10.966 3.090 5.383 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.641 5.901 6.487 1.00 0.00 C ATOM 1554 CG TYR A 98 -11.062 6.297 6.815 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.712 5.776 7.927 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.756 7.195 6.012 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -13.011 6.134 8.229 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -13.055 7.560 6.308 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.679 7.026 7.417 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.972 7.388 7.714 1.00 0.00 O ATOM 0 H TYR A 98 -7.360 4.974 6.700 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.915 4.020 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.961 6.440 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.412 6.215 5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.192 5.078 8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.272 7.614 5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.501 5.718 9.097 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.580 8.260 5.675 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.296 8.025 7.043 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.087 3.709 4.310 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.453 3.052 3.062 1.00 0.00 C ATOM 1572 C LEU A 99 -9.622 1.551 3.269 1.00 0.00 C ATOM 1573 O LEU A 99 -10.461 0.914 2.631 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.392 3.317 1.992 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.713 4.464 1.031 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -9.939 4.134 0.196 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -8.924 5.759 1.803 1.00 0.00 C ATOM 0 H LEU A 99 -8.186 4.187 4.287 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.405 3.464 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.445 3.532 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.248 2.406 1.411 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.867 4.597 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.152 4.961 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.752 3.230 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -10.794 3.974 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.151 6.565 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.754 5.637 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.018 6.004 2.358 1.00 0.00 H new ATOM 1589 N SER A 100 -8.818 0.989 4.168 1.00 0.00 N ATOM 1590 CA SER A 100 -8.878 -0.438 4.462 1.00 0.00 C ATOM 1591 C SER A 100 -10.259 -0.828 4.980 1.00 0.00 C ATOM 1592 O SER A 100 -10.767 -1.907 4.674 1.00 0.00 O ATOM 1593 CB SER A 100 -7.809 -0.815 5.487 1.00 0.00 C ATOM 1594 OG SER A 100 -8.233 -0.506 6.804 1.00 0.00 O ATOM 0 H SER A 100 -8.118 1.501 4.705 1.00 0.00 H new ATOM 0 HA SER A 100 -8.690 -0.983 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.589 -1.880 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.884 -0.283 5.265 1.00 0.00 H new ATOM 0 HG SER A 100 -8.487 0.439 6.853 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.860 0.057 5.768 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.182 -0.194 6.330 1.00 0.00 C ATOM 1602 C HIS A 101 -13.258 -0.088 5.254 1.00 0.00 C ATOM 1603 O HIS A 101 -14.119 -0.960 5.133 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.474 0.792 7.464 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.361 0.184 8.827 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -12.837 -1.072 9.134 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -11.822 0.669 9.971 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.596 -1.335 10.405 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -11.980 -0.295 10.935 1.00 0.00 N ATOM 0 H HIS A 101 -10.453 0.954 6.032 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.194 -1.208 6.731 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.783 1.632 7.391 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.479 1.194 7.336 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -13.303 -1.701 8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.355 1.634 10.100 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.858 -2.246 10.923 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.201 0.987 4.472 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.171 1.206 3.404 1.00 0.00 C ATOM 1620 C PHE A 102 -14.083 0.097 2.359 1.00 0.00 C ATOM 1621 O PHE A 102 -15.086 -0.278 1.753 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.934 2.566 2.747 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.923 3.617 3.171 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -16.278 3.445 2.938 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -14.497 4.773 3.803 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -17.189 4.408 3.326 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -15.404 5.740 4.194 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.752 5.557 3.955 1.00 0.00 C ATOM 0 H PHE A 102 -12.495 1.718 4.558 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.170 1.191 3.840 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.927 2.907 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.980 2.451 1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.626 2.548 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.444 4.921 3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -18.242 4.262 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -15.059 6.638 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.463 6.311 4.259 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.877 -0.421 2.156 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.655 -1.488 1.186 1.00 0.00 C ATOM 1640 C HIS A 103 -13.465 -2.729 1.544 1.00 0.00 C ATOM 1641 O HIS A 103 -14.177 -3.282 0.706 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.167 -1.839 1.113 1.00 0.00 C ATOM 1643 CG HIS A 103 -10.723 -2.294 -0.242 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -10.693 -3.620 -0.617 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -10.290 -1.591 -1.315 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -10.260 -3.713 -1.862 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -10.009 -2.497 -2.308 1.00 0.00 N ATOM 0 H HIS A 103 -12.037 -0.119 2.650 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.986 -1.131 0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.582 -0.966 1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.951 -2.623 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.185 -0.518 -1.378 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.133 -4.629 -2.420 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.662 -2.267 -3.239 1.00 0.00 H new ATOM 1656 N SER A 104 -13.351 -3.163 2.796 1.00 0.00 N ATOM 1657 CA SER A 104 -14.072 -4.339 3.266 1.00 0.00 C ATOM 1658 C SER A 104 -15.576 -4.091 3.276 1.00 0.00 C ATOM 1659 O SER A 104 -16.366 -4.995 3.010 1.00 0.00 O ATOM 1660 CB SER A 104 -13.597 -4.727 4.669 1.00 0.00 C ATOM 1661 OG SER A 104 -12.592 -5.722 4.610 1.00 0.00 O ATOM 0 H SER A 104 -12.766 -2.717 3.502 1.00 0.00 H new ATOM 0 HA SER A 104 -13.864 -5.159 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.211 -3.846 5.182 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.441 -5.093 5.254 1.00 0.00 H new ATOM 0 HG SER A 104 -12.305 -5.951 5.519 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.966 -2.857 3.584 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.377 -2.493 3.629 1.00 0.00 C ATOM 1669 C ALA A 105 -18.007 -2.570 2.242 1.00 0.00 C ATOM 1670 O ALA A 105 -19.108 -3.093 2.079 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.542 -1.097 4.210 1.00 0.00 C ATOM 0 H ALA A 105 -15.326 -2.095 3.805 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.892 -3.206 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.600 -0.837 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.136 -1.073 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.009 -0.379 3.588 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.300 -2.044 1.247 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.790 -2.053 -0.126 1.00 0.00 C ATOM 1679 C PHE A 106 -17.878 -3.478 -0.663 1.00 0.00 C ATOM 1680 O PHE A 106 -18.757 -3.799 -1.462 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.876 -1.213 -1.019 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.177 0.260 -0.975 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.559 0.872 0.209 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.078 1.032 -2.122 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.835 2.225 0.248 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.352 2.386 -2.089 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.732 2.983 -0.903 1.00 0.00 C ATOM 0 H PHE A 106 -16.386 -1.606 1.366 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.791 -1.621 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.841 -1.373 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.966 -1.563 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.642 0.284 1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.783 0.570 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.131 2.690 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.269 2.977 -2.989 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.948 4.041 -0.875 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.958 -4.330 -0.221 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.932 -5.720 -0.658 1.00 0.00 C ATOM 1699 C LYS A 107 -18.181 -6.462 -0.192 1.00 0.00 C ATOM 1700 O LYS A 107 -18.656 -7.379 -0.860 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.681 -6.422 -0.126 1.00 0.00 C ATOM 1702 CG LYS A 107 -15.351 -7.714 -0.857 1.00 0.00 C ATOM 1703 CD LYS A 107 -14.064 -8.335 -0.338 1.00 0.00 C ATOM 1704 CE LYS A 107 -14.190 -8.738 1.122 1.00 0.00 C ATOM 1705 NZ LYS A 107 -13.334 -9.913 1.450 1.00 0.00 N ATOM 0 H LYS A 107 -16.221 -4.081 0.439 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.910 -5.730 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.832 -5.743 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.819 -6.639 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.172 -8.421 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -15.256 -7.515 -1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.813 -9.210 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.245 -7.625 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.910 -7.897 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -15.231 -8.973 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.448 -10.156 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.617 -10.723 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.338 -9.680 1.261 1.00 0.00 H new