USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -3.14! C(o=-3.1!,f=-8.7!) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.114 (180deg=-0.766) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.2) USER MOD Single : A 40 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.3) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0403 (180deg=-0.45) USER MOD Single : A 45 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0548 (180deg=-0.631) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.35) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 82 TYR OH : rot -154:sc= 0.101 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= -0.0963 (180deg=-0.747) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.0168 (180deg=-0.419) USER MOD ----------------------------------------------------------------- ATOM 141 N ILE A 9 1.095 5.203 3.158 1.00 1.00 N ATOM 142 CA ILE A 9 1.178 4.437 1.935 1.00 1.00 C ATOM 143 C ILE A 9 1.202 5.381 0.733 1.00 1.00 C ATOM 144 O ILE A 9 0.354 6.254 0.552 1.00 1.00 O ATOM 145 CB ILE A 9 -0.033 3.492 1.838 1.00 1.00 C ATOM 146 CG1 ILE A 9 -0.036 2.504 3.050 1.00 1.00 C ATOM 147 CG2 ILE A 9 0.025 2.682 0.497 1.00 1.00 C ATOM 148 CD1 ILE A 9 -1.368 1.738 3.111 1.00 1.00 C ATOM 0 HA ILE A 9 2.094 3.847 1.939 1.00 1.00 H new ATOM 0 HB ILE A 9 -0.947 4.086 1.857 1.00 1.00 H new ATOM 0 HG12 ILE A 9 0.792 1.801 2.957 1.00 1.00 H new ATOM 0 HG13 ILE A 9 0.117 3.055 3.978 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -0.836 2.016 0.437 1.00 1.00 H new ATOM 0 HG22 ILE A 9 0.009 3.373 -0.346 1.00 1.00 H new ATOM 0 HG23 ILE A 9 0.942 2.094 0.467 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -1.356 1.054 3.960 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -2.189 2.445 3.227 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -1.504 1.171 2.190 1.00 1.00 H new ATOM 160 N VAL A 10 2.200 5.170 -0.119 1.00 1.00 N ATOM 161 CA VAL A 10 2.352 5.982 -1.341 1.00 1.00 C ATOM 162 C VAL A 10 2.005 5.159 -2.563 1.00 1.00 C ATOM 163 O VAL A 10 2.281 3.964 -2.642 1.00 1.00 O ATOM 164 CB VAL A 10 3.800 6.509 -1.461 1.00 1.00 C ATOM 165 CG1 VAL A 10 3.904 7.512 -2.646 1.00 1.00 C ATOM 166 CG2 VAL A 10 4.187 7.210 -0.140 1.00 1.00 C ATOM 0 H VAL A 10 2.914 4.452 0.004 1.00 1.00 H new ATOM 0 HA VAL A 10 1.671 6.831 -1.277 1.00 1.00 H new ATOM 0 HB VAL A 10 4.480 5.678 -1.649 1.00 1.00 H new ATOM 0 HG11 VAL A 10 4.928 7.879 -2.724 1.00 1.00 H new ATOM 0 HG12 VAL A 10 3.627 7.010 -3.573 1.00 1.00 H new ATOM 0 HG13 VAL A 10 3.230 8.351 -2.473 1.00 1.00 H new ATOM 0 HG21 VAL A 10 5.207 7.586 -0.213 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.506 8.041 0.044 1.00 1.00 H new ATOM 0 HG23 VAL A 10 4.121 6.498 0.683 1.00 1.00 H new ATOM 176 N LEU A 11 1.396 5.806 -3.553 1.00 1.00 N ATOM 177 CA LEU A 11 1.012 5.117 -4.792 1.00 1.00 C ATOM 178 C LEU A 11 2.007 5.438 -5.906 1.00 1.00 C ATOM 179 O LEU A 11 2.236 6.595 -6.254 1.00 1.00 O ATOM 180 CB LEU A 11 -0.419 5.543 -5.222 1.00 1.00 C ATOM 181 CG LEU A 11 -1.255 4.307 -5.664 1.00 1.00 C ATOM 182 CD1 LEU A 11 -2.670 4.754 -6.029 1.00 1.00 C ATOM 183 CD2 LEU A 11 -0.600 3.596 -6.884 1.00 1.00 C ATOM 0 H LEU A 11 1.157 6.797 -3.527 1.00 1.00 H new ATOM 0 HA LEU A 11 1.021 4.043 -4.609 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.917 6.047 -4.394 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.359 6.259 -6.042 1.00 1.00 H new ATOM 0 HG LEU A 11 -1.291 3.600 -4.835 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -3.256 3.889 -6.339 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -3.140 5.219 -5.162 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.625 5.473 -6.847 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -1.205 2.736 -7.172 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -0.538 4.292 -7.720 1.00 1.00 H new ATOM 0 HD23 LEU A 11 0.402 3.261 -6.615 1.00 1.00 H new ATOM 195 N ARG A 12 2.601 4.394 -6.475 1.00 1.00 N ATOM 196 CA ARG A 12 3.577 4.541 -7.565 1.00 1.00 C ATOM 197 C ARG A 12 2.971 4.076 -8.877 1.00 1.00 C ATOM 198 O ARG A 12 2.031 3.281 -8.913 1.00 1.00 O ATOM 199 CB ARG A 12 4.839 3.718 -7.244 1.00 1.00 C ATOM 200 CG ARG A 12 5.955 3.988 -8.294 1.00 1.00 C ATOM 201 CD ARG A 12 7.269 3.349 -7.852 1.00 1.00 C ATOM 202 NE ARG A 12 8.287 3.633 -8.863 1.00 1.00 N ATOM 203 CZ ARG A 12 8.349 2.953 -10.014 1.00 1.00 C ATOM 204 NH1 ARG A 12 7.468 2.027 -10.277 1.00 1.00 N ATOM 205 NH2 ARG A 12 9.249 3.264 -10.898 1.00 1.00 N ATOM 0 H ARG A 12 2.426 3.427 -6.201 1.00 1.00 H new ATOM 0 HA ARG A 12 3.849 5.592 -7.660 1.00 1.00 H new ATOM 0 HB2 ARG A 12 5.201 3.972 -6.248 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.593 2.656 -7.232 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.656 3.587 -9.263 1.00 1.00 H new ATOM 0 HG3 ARG A 12 6.091 5.062 -8.422 1.00 1.00 H new ATOM 0 HD2 ARG A 12 7.576 3.745 -6.884 1.00 1.00 H new ATOM 0 HD3 ARG A 12 7.145 2.273 -7.731 1.00 1.00 H new ATOM 0 HE ARG A 12 8.969 4.370 -8.686 1.00 1.00 H new ATOM 0 HH11 ARG A 12 6.730 1.820 -9.605 1.00 1.00 H new ATOM 0 HH12 ARG A 12 7.518 1.510 -11.155 1.00 1.00 H new ATOM 0 HH21 ARG A 12 9.904 4.023 -10.713 1.00 1.00 H new ATOM 0 HH22 ARG A 12 9.300 2.749 -11.777 1.00 1.00 H new ATOM 219 N ASN A 13 3.512 4.589 -9.974 1.00 1.00 N ATOM 220 CA ASN A 13 3.050 4.238 -11.328 1.00 1.00 C ATOM 221 C ASN A 13 1.724 4.889 -11.624 1.00 1.00 C ATOM 222 O ASN A 13 1.297 5.006 -12.772 1.00 1.00 O ATOM 223 CB ASN A 13 2.923 2.703 -11.503 1.00 1.00 C ATOM 224 CG ASN A 13 4.235 2.049 -11.098 1.00 1.00 C ATOM 225 OD1 ASN A 13 5.297 2.508 -11.509 1.00 1.00 O ATOM 226 ND2 ASN A 13 4.233 1.008 -10.309 1.00 1.00 N ATOM 0 H ASN A 13 4.281 5.259 -9.960 1.00 1.00 H new ATOM 0 HA ASN A 13 3.797 4.607 -12.031 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.107 2.320 -10.890 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.685 2.460 -12.539 1.00 1.00 H new ATOM 0 HD21 ASN A 13 5.115 0.575 -10.033 1.00 1.00 H new ATOM 0 HD22 ASN A 13 3.350 0.628 -9.968 1.00 1.00 H new ATOM 233 N LEU A 14 1.047 5.314 -10.561 1.00 1.00 N ATOM 234 CA LEU A 14 -0.276 5.957 -10.672 1.00 1.00 C ATOM 235 C LEU A 14 -0.519 6.592 -12.070 1.00 1.00 C ATOM 236 O LEU A 14 -0.108 7.731 -12.283 1.00 1.00 O ATOM 237 CB LEU A 14 -0.445 7.043 -9.582 1.00 1.00 C ATOM 238 CG LEU A 14 -1.795 7.843 -9.757 1.00 1.00 C ATOM 239 CD1 LEU A 14 -3.025 6.886 -9.875 1.00 1.00 C ATOM 240 CD2 LEU A 14 -1.972 8.807 -8.575 1.00 1.00 C ATOM 0 H LEU A 14 1.388 5.228 -9.604 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.015 5.168 -10.532 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.424 6.576 -8.597 1.00 1.00 H new ATOM 0 HB3 LEU A 14 0.396 7.735 -9.625 1.00 1.00 H new ATOM 0 HG LEU A 14 -1.740 8.410 -10.686 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -3.934 7.475 -9.994 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -2.898 6.235 -10.740 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.102 6.279 -8.973 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -2.903 9.361 -8.693 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.003 8.240 -7.645 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -1.136 9.506 -8.547 1.00 1.00 H new ATOM 252 N PRO A 15 -1.164 5.911 -12.977 1.00 1.00 N ATOM 253 CA PRO A 15 -1.448 6.495 -14.334 1.00 1.00 C ATOM 254 C PRO A 15 -1.970 7.942 -14.239 1.00 1.00 C ATOM 255 O PRO A 15 -2.516 8.365 -13.219 1.00 1.00 O ATOM 256 CB PRO A 15 -2.512 5.536 -14.915 1.00 1.00 C ATOM 257 CG PRO A 15 -2.176 4.206 -14.292 1.00 1.00 C ATOM 258 CD PRO A 15 -1.714 4.534 -12.866 1.00 1.00 C ATOM 0 HA PRO A 15 -0.558 6.569 -14.958 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.522 5.855 -14.657 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -2.460 5.493 -16.003 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.043 3.545 -14.283 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -1.392 3.696 -14.852 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.541 4.490 -12.158 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -0.959 3.829 -12.518 1.00 1.00 H new ATOM 266 N GLU A 16 -1.796 8.717 -15.304 1.00 1.00 N ATOM 267 CA GLU A 16 -2.242 10.121 -15.341 1.00 1.00 C ATOM 268 C GLU A 16 -3.707 10.239 -15.735 1.00 1.00 C ATOM 269 O GLU A 16 -4.374 11.229 -15.432 1.00 1.00 O ATOM 270 CB GLU A 16 -1.346 10.907 -16.315 1.00 1.00 C ATOM 271 CG GLU A 16 -1.384 10.262 -17.719 1.00 1.00 C ATOM 272 CD GLU A 16 -0.484 11.037 -18.673 1.00 1.00 C ATOM 273 OE1 GLU A 16 0.703 10.757 -18.692 1.00 1.00 O ATOM 274 OE2 GLU A 16 -0.993 11.903 -19.366 1.00 1.00 O ATOM 0 H GLU A 16 -1.347 8.401 -16.163 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.152 10.542 -14.340 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -1.682 11.942 -16.374 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -0.321 10.925 -15.943 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -1.057 9.224 -17.660 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -2.406 10.253 -18.097 1.00 1.00 H new ATOM 281 N ASP A 17 -4.210 9.229 -16.436 1.00 1.00 N ATOM 282 CA ASP A 17 -5.600 9.223 -16.917 1.00 1.00 C ATOM 283 C ASP A 17 -6.526 8.559 -15.912 1.00 1.00 C ATOM 284 O ASP A 17 -7.748 8.572 -16.076 1.00 1.00 O ATOM 285 CB ASP A 17 -5.655 8.483 -18.267 1.00 1.00 C ATOM 286 CG ASP A 17 -4.702 9.152 -19.260 1.00 1.00 C ATOM 287 OD1 ASP A 17 -4.819 10.355 -19.439 1.00 1.00 O ATOM 288 OD2 ASP A 17 -3.868 8.460 -19.825 1.00 1.00 O ATOM 0 H ASP A 17 -3.678 8.396 -16.689 1.00 1.00 H new ATOM 0 HA ASP A 17 -5.938 10.252 -17.043 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -5.379 7.437 -18.131 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -6.672 8.496 -18.659 1.00 1.00 H new ATOM 293 N LEU A 18 -5.960 7.977 -14.861 1.00 1.00 N ATOM 294 CA LEU A 18 -6.744 7.296 -13.807 1.00 1.00 C ATOM 295 C LEU A 18 -6.508 7.979 -12.478 1.00 1.00 C ATOM 296 O LEU A 18 -5.435 8.522 -12.209 1.00 1.00 O ATOM 297 CB LEU A 18 -6.343 5.809 -13.711 1.00 1.00 C ATOM 298 CG LEU A 18 -6.416 5.119 -15.115 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.019 3.620 -15.012 1.00 1.00 C ATOM 300 CD2 LEU A 18 -7.850 5.224 -15.717 1.00 1.00 C ATOM 0 H LEU A 18 -4.952 7.957 -14.705 1.00 1.00 H new ATOM 0 HA LEU A 18 -7.802 7.354 -14.063 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -5.332 5.726 -13.313 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.004 5.294 -13.014 1.00 1.00 H new ATOM 0 HG LEU A 18 -5.715 5.637 -15.769 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.077 3.160 -15.998 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.000 3.539 -14.632 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -6.701 3.109 -14.333 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -7.872 4.737 -16.692 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -8.561 4.735 -15.051 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.121 6.274 -15.830 1.00 1.00 H new ATOM 312 N VAL A 19 -7.523 7.966 -11.619 1.00 1.00 N ATOM 313 CA VAL A 19 -7.421 8.607 -10.292 1.00 1.00 C ATOM 314 C VAL A 19 -8.132 7.789 -9.238 1.00 1.00 C ATOM 315 O VAL A 19 -9.061 7.031 -9.514 1.00 1.00 O ATOM 316 CB VAL A 19 -8.017 10.029 -10.360 1.00 1.00 C ATOM 317 CG1 VAL A 19 -7.210 10.886 -11.367 1.00 1.00 C ATOM 318 CG2 VAL A 19 -9.507 9.966 -10.806 1.00 1.00 C ATOM 0 H VAL A 19 -8.423 7.525 -11.807 1.00 1.00 H new ATOM 0 HA VAL A 19 -6.369 8.668 -10.013 1.00 1.00 H new ATOM 0 HB VAL A 19 -7.961 10.482 -9.370 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -7.634 11.889 -11.412 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.171 10.945 -11.044 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -7.257 10.427 -12.355 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -9.917 10.975 -10.850 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -9.573 9.504 -11.791 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -10.077 9.374 -10.089 1.00 1.00 H new ATOM 328 N LEU A 20 -7.683 7.955 -7.997 1.00 1.00 N ATOM 329 CA LEU A 20 -8.247 7.240 -6.866 1.00 1.00 C ATOM 330 C LEU A 20 -9.423 8.030 -6.281 1.00 1.00 C ATOM 331 O LEU A 20 -9.299 9.219 -5.987 1.00 1.00 O ATOM 332 CB LEU A 20 -7.137 7.050 -5.809 1.00 1.00 C ATOM 333 CG LEU A 20 -7.582 6.076 -4.671 1.00 1.00 C ATOM 334 CD1 LEU A 20 -7.846 4.637 -5.190 1.00 1.00 C ATOM 335 CD2 LEU A 20 -6.482 6.033 -3.580 1.00 1.00 C ATOM 0 H LEU A 20 -6.921 8.587 -7.752 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.621 6.266 -7.182 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.239 6.661 -6.290 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -6.875 8.017 -5.379 1.00 1.00 H new ATOM 0 HG LEU A 20 -8.520 6.453 -4.263 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -8.152 4.001 -4.359 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -8.637 4.660 -5.940 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.935 4.238 -5.636 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.787 5.355 -2.783 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -5.548 5.681 -4.019 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -6.337 7.033 -3.170 1.00 1.00 H new ATOM 347 N GLU A 21 -10.566 7.375 -6.104 1.00 1.00 N ATOM 348 CA GLU A 21 -11.755 8.022 -5.551 1.00 1.00 C ATOM 349 C GLU A 21 -11.517 8.486 -4.121 1.00 1.00 C ATOM 350 O GLU A 21 -12.048 9.514 -3.705 1.00 1.00 O ATOM 351 CB GLU A 21 -12.955 7.040 -5.580 1.00 1.00 C ATOM 352 CG GLU A 21 -12.592 5.712 -4.865 1.00 1.00 C ATOM 353 CD GLU A 21 -13.801 4.783 -4.843 1.00 1.00 C ATOM 354 OE1 GLU A 21 -14.530 4.770 -5.819 1.00 1.00 O ATOM 355 OE2 GLU A 21 -13.976 4.088 -3.850 1.00 1.00 O ATOM 0 H GLU A 21 -10.696 6.390 -6.337 1.00 1.00 H new ATOM 0 HA GLU A 21 -11.977 8.895 -6.165 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -13.817 7.497 -5.094 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -13.241 6.837 -6.612 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -11.761 5.228 -5.379 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -12.262 5.916 -3.847 1.00 1.00 H new ATOM 362 N LYS A 22 -10.733 7.733 -3.356 1.00 1.00 N ATOM 363 CA LYS A 22 -10.465 8.095 -1.947 1.00 1.00 C ATOM 364 C LYS A 22 -9.099 7.592 -1.477 1.00 1.00 C ATOM 365 O LYS A 22 -8.633 6.573 -1.985 1.00 1.00 O ATOM 366 CB LYS A 22 -11.564 7.489 -1.023 1.00 1.00 C ATOM 367 CG LYS A 22 -12.830 8.370 -1.021 1.00 1.00 C ATOM 368 CD LYS A 22 -13.842 7.858 0.024 1.00 1.00 C ATOM 369 CE LYS A 22 -15.087 8.758 0.009 1.00 1.00 C ATOM 370 NZ LYS A 22 -15.689 8.724 -1.353 1.00 1.00 N ATOM 0 H LYS A 22 -10.273 6.879 -3.671 1.00 1.00 H new ATOM 0 HA LYS A 22 -10.473 9.183 -1.888 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -11.816 6.484 -1.362 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -11.180 7.396 -0.007 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -12.561 9.403 -0.800 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -13.286 8.364 -2.011 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -14.121 6.828 -0.198 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -13.390 7.859 1.016 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -15.810 8.415 0.749 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -14.817 9.780 0.277 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -16.690 9.000 -1.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -15.182 9.387 -1.973 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -15.616 7.762 -1.741 1.00 1.00 H new ATOM 384 N PRO A 23 -8.441 8.265 -0.573 1.00 1.00 N ATOM 385 CA PRO A 23 -7.093 7.852 -0.094 1.00 1.00 C ATOM 386 C PRO A 23 -7.120 6.478 0.550 1.00 1.00 C ATOM 387 O PRO A 23 -8.133 5.981 1.042 1.00 1.00 O ATOM 388 CB PRO A 23 -6.687 8.957 0.925 1.00 1.00 C ATOM 389 CG PRO A 23 -7.997 9.547 1.362 1.00 1.00 C ATOM 390 CD PRO A 23 -8.882 9.504 0.116 1.00 1.00 C ATOM 0 HA PRO A 23 -6.378 7.764 -0.912 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -6.136 8.540 1.768 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -6.045 9.708 0.465 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -8.436 8.974 2.178 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -7.870 10.568 1.722 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -9.940 9.465 0.375 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -8.739 10.385 -0.510 1.00 1.00 H new ATOM 398 N LEU A 24 -5.949 5.849 0.534 1.00 1.00 N ATOM 399 CA LEU A 24 -5.758 4.509 1.083 1.00 1.00 C ATOM 400 C LEU A 24 -6.547 4.269 2.384 1.00 1.00 C ATOM 401 O LEU A 24 -6.818 5.229 3.107 1.00 1.00 O ATOM 402 CB LEU A 24 -4.236 4.230 1.304 1.00 1.00 C ATOM 403 CG LEU A 24 -3.512 3.907 -0.044 1.00 1.00 C ATOM 404 CD1 LEU A 24 -3.983 2.557 -0.637 1.00 1.00 C ATOM 405 CD2 LEU A 24 -3.709 5.049 -1.066 1.00 1.00 C ATOM 0 H LEU A 24 -5.101 6.256 0.138 1.00 1.00 H new ATOM 0 HA LEU A 24 -6.156 3.808 0.349 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.770 5.098 1.770 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.114 3.394 1.993 1.00 1.00 H new ATOM 0 HG LEU A 24 -2.447 3.820 0.173 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -3.458 2.368 -1.573 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -3.768 1.755 0.069 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.056 2.597 -0.825 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -3.196 4.799 -1.994 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -4.773 5.181 -1.264 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.298 5.974 -0.662 1.00 1.00 H new ATOM 417 N PRO A 25 -6.931 3.058 2.688 1.00 1.00 N ATOM 418 CA PRO A 25 -7.728 2.753 3.916 1.00 1.00 C ATOM 419 C PRO A 25 -6.872 2.736 5.170 1.00 1.00 C ATOM 420 O PRO A 25 -7.369 2.974 6.270 1.00 1.00 O ATOM 421 CB PRO A 25 -8.321 1.357 3.602 1.00 1.00 C ATOM 422 CG PRO A 25 -7.263 0.689 2.770 1.00 1.00 C ATOM 423 CD PRO A 25 -6.676 1.809 1.903 1.00 1.00 C ATOM 0 HA PRO A 25 -8.487 3.506 4.127 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -8.524 0.796 4.514 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -9.263 1.437 3.060 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -6.497 0.233 3.397 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -7.687 -0.105 2.155 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -5.610 1.660 1.728 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -7.157 1.849 0.926 1.00 1.00 H new ATOM 431 N GLU A 26 -5.585 2.440 5.017 1.00 1.00 N ATOM 432 CA GLU A 26 -4.641 2.383 6.133 1.00 1.00 C ATOM 433 C GLU A 26 -5.019 1.265 7.097 1.00 1.00 C ATOM 434 O GLU A 26 -6.182 1.116 7.473 1.00 1.00 O ATOM 435 CB GLU A 26 -4.592 3.737 6.890 1.00 1.00 C ATOM 436 CG GLU A 26 -4.266 4.888 5.912 1.00 1.00 C ATOM 437 CD GLU A 26 -2.868 4.704 5.318 1.00 1.00 C ATOM 438 OE1 GLU A 26 -1.946 4.514 6.092 1.00 1.00 O ATOM 439 OE2 GLU A 26 -2.745 4.739 4.104 1.00 1.00 O ATOM 0 H GLU A 26 -5.163 2.232 4.112 1.00 1.00 H new ATOM 0 HA GLU A 26 -3.652 2.179 5.723 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.549 3.924 7.376 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -3.838 3.695 7.676 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -5.007 4.915 5.113 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.324 5.844 6.433 1.00 1.00 H new ATOM 446 N VAL A 27 -4.038 0.467 7.501 1.00 1.00 N ATOM 447 CA VAL A 27 -4.256 -0.639 8.423 1.00 1.00 C ATOM 448 C VAL A 27 -2.965 -0.971 9.174 1.00 1.00 C ATOM 449 O VAL A 27 -1.866 -0.554 8.809 1.00 1.00 O ATOM 450 CB VAL A 27 -4.777 -1.867 7.635 1.00 1.00 C ATOM 451 CG1 VAL A 27 -3.756 -2.281 6.542 1.00 1.00 C ATOM 452 CG2 VAL A 27 -5.048 -3.070 8.594 1.00 1.00 C ATOM 0 H VAL A 27 -3.069 0.569 7.198 1.00 1.00 H new ATOM 0 HA VAL A 27 -5.004 -0.354 9.163 1.00 1.00 H new ATOM 0 HB VAL A 27 -5.716 -1.588 7.157 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -4.136 -3.145 5.997 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -3.608 -1.452 5.850 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -2.806 -2.537 7.010 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -5.413 -3.920 8.017 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -4.124 -3.346 9.102 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -5.797 -2.785 9.333 1.00 1.00 H new ATOM 462 N SER A 28 -3.099 -1.744 10.247 1.00 1.00 N ATOM 463 CA SER A 28 -1.947 -2.149 11.063 1.00 1.00 C ATOM 464 C SER A 28 -1.283 -3.393 10.470 1.00 1.00 C ATOM 465 O SER A 28 -1.800 -4.057 9.572 1.00 1.00 O ATOM 466 CB SER A 28 -2.405 -2.459 12.495 1.00 1.00 C ATOM 467 OG SER A 28 -3.262 -3.595 12.484 1.00 1.00 O ATOM 0 H SER A 28 -3.994 -2.106 10.577 1.00 1.00 H new ATOM 0 HA SER A 28 -1.228 -1.330 11.075 1.00 1.00 H new ATOM 0 HB2 SER A 28 -1.541 -2.648 13.132 1.00 1.00 H new ATOM 0 HB3 SER A 28 -2.928 -1.600 12.915 1.00 1.00 H new ATOM 0 HG SER A 28 -3.553 -3.794 13.398 1.00 1.00 H new ATOM 473 N VAL A 29 -0.099 -3.705 10.983 1.00 1.00 N ATOM 474 CA VAL A 29 0.678 -4.884 10.507 1.00 1.00 C ATOM 475 C VAL A 29 1.183 -5.690 11.692 1.00 1.00 C ATOM 476 O VAL A 29 1.342 -5.159 12.790 1.00 1.00 O ATOM 477 CB VAL A 29 1.877 -4.404 9.637 1.00 1.00 C ATOM 478 CG1 VAL A 29 1.346 -3.590 8.433 1.00 1.00 C ATOM 479 CG2 VAL A 29 2.843 -3.501 10.457 1.00 1.00 C ATOM 0 H VAL A 29 0.357 -3.173 11.724 1.00 1.00 H new ATOM 0 HA VAL A 29 0.030 -5.519 9.904 1.00 1.00 H new ATOM 0 HB VAL A 29 2.421 -5.286 9.297 1.00 1.00 H new ATOM 0 HG11 VAL A 29 2.184 -3.253 7.823 1.00 1.00 H new ATOM 0 HG12 VAL A 29 0.688 -4.217 7.831 1.00 1.00 H new ATOM 0 HG13 VAL A 29 0.791 -2.725 8.795 1.00 1.00 H new ATOM 0 HG21 VAL A 29 3.670 -3.182 9.822 1.00 1.00 H new ATOM 0 HG22 VAL A 29 2.304 -2.625 10.818 1.00 1.00 H new ATOM 0 HG23 VAL A 29 3.233 -4.062 11.306 1.00 1.00 H new ATOM 489 N THR A 30 1.454 -6.977 11.500 1.00 1.00 N ATOM 490 CA THR A 30 1.969 -7.813 12.603 1.00 1.00 C ATOM 491 C THR A 30 3.335 -8.381 12.249 1.00 1.00 C ATOM 492 O THR A 30 3.476 -9.139 11.289 1.00 1.00 O ATOM 493 CB THR A 30 0.987 -8.960 12.892 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.327 -8.423 12.958 1.00 1.00 O ATOM 495 CG2 THR A 30 1.323 -9.631 14.242 1.00 1.00 C ATOM 0 H THR A 30 1.332 -7.466 10.613 1.00 1.00 H new ATOM 0 HA THR A 30 2.070 -7.191 13.493 1.00 1.00 H new ATOM 0 HB THR A 30 1.061 -9.705 12.100 1.00 1.00 H new ATOM 0 HG1 THR A 30 -0.966 -9.143 13.140 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.618 -10.441 14.431 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.336 -10.032 14.207 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.252 -8.894 15.042 1.00 1.00 H new ATOM 503 N ILE A 31 4.354 -8.031 13.025 1.00 1.00 N ATOM 504 CA ILE A 31 5.725 -8.520 12.801 1.00 1.00 C ATOM 505 C ILE A 31 6.257 -9.157 14.075 1.00 1.00 C ATOM 506 O ILE A 31 6.001 -8.706 15.190 1.00 1.00 O ATOM 507 CB ILE A 31 6.650 -7.359 12.330 1.00 1.00 C ATOM 508 CG1 ILE A 31 6.368 -7.027 10.809 1.00 1.00 C ATOM 509 CG2 ILE A 31 8.163 -7.720 12.514 1.00 1.00 C ATOM 510 CD1 ILE A 31 4.995 -6.370 10.574 1.00 1.00 C ATOM 0 H ILE A 31 4.263 -7.404 13.825 1.00 1.00 H new ATOM 0 HA ILE A 31 5.710 -9.274 12.014 1.00 1.00 H new ATOM 0 HB ILE A 31 6.430 -6.487 12.946 1.00 1.00 H new ATOM 0 HG12 ILE A 31 7.149 -6.363 10.438 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.428 -7.946 10.226 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.780 -6.887 12.175 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.365 -7.916 13.567 1.00 1.00 H new ATOM 0 HG23 ILE A 31 8.399 -8.608 11.928 1.00 1.00 H new ATOM 0 HD11 ILE A 31 4.865 -6.169 9.511 1.00 1.00 H new ATOM 0 HD12 ILE A 31 4.207 -7.042 10.915 1.00 1.00 H new ATOM 0 HD13 ILE A 31 4.940 -5.434 11.130 1.00 1.00 H new ATOM 522 N ARG A 32 7.029 -10.227 13.905 1.00 1.00 N ATOM 523 CA ARG A 32 7.640 -10.961 15.019 1.00 1.00 C ATOM 524 C ARG A 32 9.164 -10.831 14.951 1.00 1.00 C ATOM 525 O ARG A 32 9.803 -11.256 13.989 1.00 1.00 O ATOM 526 CB ARG A 32 7.249 -12.449 14.931 1.00 1.00 C ATOM 527 CG ARG A 32 7.701 -13.178 16.217 1.00 1.00 C ATOM 528 CD ARG A 32 7.314 -14.651 16.160 1.00 1.00 C ATOM 529 NE ARG A 32 7.647 -15.265 17.437 1.00 1.00 N ATOM 530 CZ ARG A 32 7.395 -16.546 17.689 1.00 1.00 C ATOM 531 NH1 ARG A 32 6.836 -17.303 16.783 1.00 1.00 N ATOM 532 NH2 ARG A 32 7.704 -17.040 18.850 1.00 1.00 N ATOM 0 H ARG A 32 7.252 -10.614 12.988 1.00 1.00 H new ATOM 0 HA ARG A 32 7.284 -10.545 15.961 1.00 1.00 H new ATOM 0 HB2 ARG A 32 6.171 -12.546 14.805 1.00 1.00 H new ATOM 0 HB3 ARG A 32 7.714 -12.907 14.058 1.00 1.00 H new ATOM 0 HG2 ARG A 32 8.780 -13.084 16.335 1.00 1.00 H new ATOM 0 HG3 ARG A 32 7.243 -12.709 17.088 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.248 -14.755 15.956 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.844 -15.151 15.349 1.00 1.00 H new ATOM 0 HE ARG A 32 8.087 -14.696 18.160 1.00 1.00 H new ATOM 0 HH11 ARG A 32 6.589 -16.912 15.874 1.00 1.00 H new ATOM 0 HH12 ARG A 32 6.646 -18.285 16.985 1.00 1.00 H new ATOM 0 HH21 ARG A 32 8.136 -16.446 19.558 1.00 1.00 H new ATOM 0 HH22 ARG A 32 7.515 -18.021 19.053 1.00 1.00 H new ATOM 546 N ALA A 33 9.751 -10.249 15.992 1.00 1.00 N ATOM 547 CA ALA A 33 11.210 -10.062 16.040 1.00 1.00 C ATOM 548 C ALA A 33 11.664 -9.689 17.443 1.00 1.00 C ATOM 549 O ALA A 33 10.852 -9.597 18.365 1.00 1.00 O ATOM 550 CB ALA A 33 11.653 -9.002 15.005 1.00 1.00 C ATOM 0 H ALA A 33 9.251 -9.899 16.810 1.00 1.00 H new ATOM 0 HA ALA A 33 11.688 -11.007 15.781 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.735 -8.876 15.054 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.371 -9.330 14.005 1.00 1.00 H new ATOM 0 HB3 ALA A 33 11.167 -8.052 15.226 1.00 1.00 H new ATOM 556 N TYR A 34 12.963 -9.454 17.608 1.00 1.00 N ATOM 557 CA TYR A 34 13.534 -9.093 18.894 1.00 1.00 C ATOM 558 C TYR A 34 13.072 -7.684 19.330 1.00 1.00 C ATOM 559 O TYR A 34 12.869 -6.833 18.463 1.00 1.00 O ATOM 560 CB TYR A 34 15.074 -9.127 18.804 1.00 1.00 C ATOM 561 CG TYR A 34 15.537 -10.554 18.517 1.00 1.00 C ATOM 562 CD1 TYR A 34 15.771 -11.446 19.582 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.720 -10.987 17.192 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.189 -12.749 19.319 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.140 -12.292 16.937 1.00 1.00 C ATOM 566 CZ TYR A 34 16.372 -13.172 18.000 1.00 1.00 C ATOM 567 OH TYR A 34 16.788 -14.458 17.744 1.00 1.00 O ATOM 0 H TYR A 34 13.646 -9.509 16.852 1.00 1.00 H new ATOM 0 HA TYR A 34 13.190 -9.813 19.637 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.418 -8.457 18.016 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.511 -8.772 19.737 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.627 -11.120 20.601 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.535 -10.309 16.372 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.372 -13.432 20.135 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.286 -12.623 15.920 1.00 1.00 H new ATOM 0 HH TYR A 34 16.865 -14.590 16.776 1.00 1.00 H new ATOM 577 N PRO A 35 12.912 -7.417 20.598 1.00 1.00 N ATOM 578 CA PRO A 35 12.480 -6.062 21.075 1.00 1.00 C ATOM 579 C PRO A 35 13.592 -5.011 20.923 1.00 1.00 C ATOM 580 O PRO A 35 13.316 -3.815 20.825 1.00 1.00 O ATOM 581 CB PRO A 35 12.088 -6.286 22.557 1.00 1.00 C ATOM 582 CG PRO A 35 12.877 -7.499 22.998 1.00 1.00 C ATOM 583 CD PRO A 35 13.115 -8.346 21.732 1.00 1.00 C ATOM 0 HA PRO A 35 11.653 -5.665 20.486 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.333 -5.415 23.165 1.00 1.00 H new ATOM 0 HB3 PRO A 35 11.016 -6.455 22.659 1.00 1.00 H new ATOM 0 HG2 PRO A 35 13.823 -7.203 23.451 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.328 -8.068 23.749 1.00 1.00 H new ATOM 0 HD2 PRO A 35 14.121 -8.765 21.722 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.420 -9.184 21.683 1.00 1.00 H new ATOM 591 N GLU A 36 14.842 -5.463 20.922 1.00 1.00 N ATOM 592 CA GLU A 36 15.989 -4.545 20.809 1.00 1.00 C ATOM 593 C GLU A 36 15.967 -3.811 19.468 1.00 1.00 C ATOM 594 O GLU A 36 16.242 -2.613 19.384 1.00 1.00 O ATOM 595 CB GLU A 36 17.300 -5.353 20.969 1.00 1.00 C ATOM 596 CG GLU A 36 17.559 -6.254 19.727 1.00 1.00 C ATOM 597 CD GLU A 36 18.570 -7.357 20.037 1.00 1.00 C ATOM 598 OE1 GLU A 36 18.173 -8.337 20.646 1.00 1.00 O ATOM 599 OE2 GLU A 36 19.721 -7.209 19.658 1.00 1.00 O ATOM 0 H GLU A 36 15.094 -6.449 20.997 1.00 1.00 H new ATOM 0 HA GLU A 36 15.928 -3.794 21.597 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.138 -4.669 21.107 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.243 -5.971 21.865 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.621 -6.701 19.398 1.00 1.00 H new ATOM 0 HG3 GLU A 36 17.927 -5.643 18.903 1.00 1.00 H new ATOM 606 N ILE A 37 15.636 -4.535 18.404 1.00 1.00 N ATOM 607 CA ILE A 37 15.580 -3.944 17.057 1.00 1.00 C ATOM 608 C ILE A 37 14.240 -3.260 16.846 1.00 1.00 C ATOM 609 O ILE A 37 14.148 -2.252 16.148 1.00 1.00 O ATOM 610 CB ILE A 37 15.836 -5.027 15.967 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.694 -6.084 15.938 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.196 -5.755 16.230 1.00 1.00 C ATOM 613 CD1 ILE A 37 14.984 -7.212 14.921 1.00 1.00 C ATOM 0 H ILE A 37 15.402 -5.527 18.440 1.00 1.00 H new ATOM 0 HA ILE A 37 16.367 -3.195 16.968 1.00 1.00 H new ATOM 0 HB ILE A 37 15.869 -4.518 15.004 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.570 -6.513 16.932 1.00 1.00 H new ATOM 0 HG13 ILE A 37 13.753 -5.596 15.682 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.360 -6.509 15.460 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.008 -5.028 16.206 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.168 -6.236 17.208 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.164 -7.930 14.930 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.082 -6.786 13.923 1.00 1.00 H new ATOM 0 HD13 ILE A 37 15.911 -7.717 15.192 1.00 1.00 H new ATOM 625 N LEU A 38 13.189 -3.807 17.448 1.00 1.00 N ATOM 626 CA LEU A 38 11.837 -3.240 17.327 1.00 1.00 C ATOM 627 C LEU A 38 11.753 -1.957 18.117 1.00 1.00 C ATOM 628 O LEU A 38 11.065 -1.010 17.734 1.00 1.00 O ATOM 629 CB LEU A 38 10.774 -4.252 17.813 1.00 1.00 C ATOM 630 CG LEU A 38 10.628 -5.462 16.825 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.851 -6.619 17.500 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.879 -5.029 15.531 1.00 1.00 C ATOM 0 H LEU A 38 13.241 -4.645 18.028 1.00 1.00 H new ATOM 0 HA LEU A 38 11.636 -3.024 16.278 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.048 -4.621 18.801 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.813 -3.748 17.916 1.00 1.00 H new ATOM 0 HG LEU A 38 11.629 -5.802 16.561 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.758 -7.451 16.802 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.389 -6.949 18.388 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.858 -6.272 17.786 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.789 -5.883 14.860 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.885 -4.665 15.791 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.438 -4.235 15.035 1.00 1.00 H new ATOM 644 N ASN A 39 12.474 -1.911 19.233 1.00 1.00 N ATOM 645 CA ASN A 39 12.489 -0.737 20.089 1.00 1.00 C ATOM 646 C ASN A 39 13.300 0.372 19.428 1.00 1.00 C ATOM 647 O ASN A 39 13.204 1.542 19.804 1.00 1.00 O ATOM 648 CB ASN A 39 13.102 -1.104 21.452 1.00 1.00 C ATOM 649 CG ASN A 39 13.148 0.118 22.357 1.00 1.00 C ATOM 650 OD1 ASN A 39 12.248 0.954 22.311 1.00 1.00 O ATOM 651 ND2 ASN A 39 14.152 0.278 23.167 1.00 1.00 N ATOM 0 H ASN A 39 13.057 -2.679 19.564 1.00 1.00 H new ATOM 0 HA ASN A 39 11.469 -0.383 20.241 1.00 1.00 H new ATOM 0 HB2 ASN A 39 12.514 -1.892 21.923 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.108 -1.499 21.311 1.00 1.00 H new ATOM 0 HD21 ASN A 39 14.196 1.100 23.769 1.00 1.00 H new ATOM 0 HD22 ASN A 39 14.896 -0.419 23.201 1.00 1.00 H new ATOM 658 N ASN A 40 14.103 0.009 18.434 1.00 1.00 N ATOM 659 CA ASN A 40 14.952 0.972 17.711 1.00 1.00 C ATOM 660 C ASN A 40 14.332 1.323 16.373 1.00 1.00 C ATOM 661 O ASN A 40 14.564 2.406 15.833 1.00 1.00 O ATOM 662 CB ASN A 40 16.360 0.367 17.499 1.00 1.00 C ATOM 663 CG ASN A 40 17.288 1.392 16.836 1.00 1.00 C ATOM 664 OD1 ASN A 40 17.089 1.754 15.677 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.278 1.899 17.518 1.00 1.00 N ATOM 0 H ASN A 40 14.190 -0.952 18.102 1.00 1.00 H new ATOM 0 HA ASN A 40 15.036 1.883 18.304 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.777 0.056 18.457 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.290 -0.525 16.877 1.00 1.00 H new ATOM 0 HD21 ASN A 40 18.888 2.596 17.090 1.00 1.00 H new ATOM 0 HD22 ASN A 40 18.442 1.598 18.479 1.00 1.00 H new ATOM 672 N LEU A 41 13.553 0.402 15.817 1.00 1.00 N ATOM 673 CA LEU A 41 12.912 0.599 14.525 1.00 1.00 C ATOM 674 C LEU A 41 11.931 1.761 14.597 1.00 1.00 C ATOM 675 O LEU A 41 11.217 1.937 15.583 1.00 1.00 O ATOM 676 CB LEU A 41 12.165 -0.715 14.074 1.00 1.00 C ATOM 677 CG LEU A 41 12.549 -1.142 12.625 1.00 1.00 C ATOM 678 CD1 LEU A 41 12.122 -0.039 11.621 1.00 1.00 C ATOM 679 CD2 LEU A 41 14.098 -1.445 12.514 1.00 1.00 C ATOM 0 H LEU A 41 13.349 -0.499 16.249 1.00 1.00 H new ATOM 0 HA LEU A 41 13.681 0.832 13.788 1.00 1.00 H new ATOM 0 HB2 LEU A 41 12.405 -1.523 14.765 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.088 -0.557 14.131 1.00 1.00 H new ATOM 0 HG LEU A 41 12.019 -2.062 12.379 1.00 1.00 H new ATOM 0 HD11 LEU A 41 12.393 -0.343 10.610 1.00 1.00 H new ATOM 0 HD12 LEU A 41 11.044 0.108 11.679 1.00 1.00 H new ATOM 0 HD13 LEU A 41 12.629 0.894 11.868 1.00 1.00 H new ATOM 0 HD21 LEU A 41 14.339 -1.741 11.493 1.00 1.00 H new ATOM 0 HD22 LEU A 41 14.663 -0.551 12.776 1.00 1.00 H new ATOM 0 HD23 LEU A 41 14.361 -2.253 13.197 1.00 1.00 H new ATOM 691 N THR A 42 11.886 2.572 13.546 1.00 1.00 N ATOM 692 CA THR A 42 10.971 3.721 13.475 1.00 1.00 C ATOM 693 C THR A 42 10.091 3.603 12.231 1.00 1.00 C ATOM 694 O THR A 42 10.505 3.130 11.171 1.00 1.00 O ATOM 695 CB THR A 42 11.768 5.030 13.439 1.00 1.00 C ATOM 696 OG1 THR A 42 10.869 6.102 13.226 1.00 1.00 O ATOM 697 CG2 THR A 42 12.818 5.021 12.311 1.00 1.00 C ATOM 0 H THR A 42 12.475 2.459 12.721 1.00 1.00 H new ATOM 0 HA THR A 42 10.335 3.726 14.361 1.00 1.00 H new ATOM 0 HB THR A 42 12.292 5.143 14.388 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.366 6.946 13.203 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.364 5.964 12.315 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.515 4.198 12.469 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.319 4.895 11.350 1.00 1.00 H new ATOM 705 N LYS A 43 8.844 4.041 12.370 1.00 1.00 N ATOM 706 CA LYS A 43 7.865 3.979 11.274 1.00 1.00 C ATOM 707 C LYS A 43 8.421 4.577 9.986 1.00 1.00 C ATOM 708 O LYS A 43 8.198 4.048 8.895 1.00 1.00 O ATOM 709 CB LYS A 43 6.583 4.752 11.667 1.00 1.00 C ATOM 710 CG LYS A 43 6.014 4.259 13.020 1.00 1.00 C ATOM 711 CD LYS A 43 5.569 2.774 12.935 1.00 1.00 C ATOM 712 CE LYS A 43 4.846 2.371 14.229 1.00 1.00 C ATOM 713 NZ LYS A 43 5.776 2.562 15.374 1.00 1.00 N ATOM 0 H LYS A 43 8.480 4.446 13.232 1.00 1.00 H new ATOM 0 HA LYS A 43 7.638 2.927 11.100 1.00 1.00 H new ATOM 0 HB2 LYS A 43 6.805 5.817 11.731 1.00 1.00 H new ATOM 0 HB3 LYS A 43 5.830 4.629 10.888 1.00 1.00 H new ATOM 0 HG2 LYS A 43 6.770 4.371 13.798 1.00 1.00 H new ATOM 0 HG3 LYS A 43 5.166 4.880 13.308 1.00 1.00 H new ATOM 0 HD2 LYS A 43 4.909 2.631 12.080 1.00 1.00 H new ATOM 0 HD3 LYS A 43 6.437 2.133 12.778 1.00 1.00 H new ATOM 0 HE2 LYS A 43 3.950 2.976 14.365 1.00 1.00 H new ATOM 0 HE3 LYS A 43 4.523 1.331 14.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 5.405 2.065 16.209 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 6.711 2.178 15.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 5.863 3.577 15.585 1.00 1.00 H new ATOM 727 N GLU A 44 9.156 5.678 10.098 1.00 1.00 N ATOM 728 CA GLU A 44 9.732 6.352 8.939 1.00 1.00 C ATOM 729 C GLU A 44 10.640 5.414 8.150 1.00 1.00 C ATOM 730 O GLU A 44 10.896 5.620 6.964 1.00 1.00 O ATOM 731 CB GLU A 44 10.544 7.574 9.403 1.00 1.00 C ATOM 732 CG GLU A 44 9.635 8.566 10.158 1.00 1.00 C ATOM 733 CD GLU A 44 10.431 9.799 10.614 1.00 1.00 C ATOM 734 OE1 GLU A 44 11.604 9.902 10.272 1.00 1.00 O ATOM 735 OE2 GLU A 44 9.854 10.626 11.298 1.00 1.00 O ATOM 0 H GLU A 44 9.369 6.127 10.989 1.00 1.00 H new ATOM 0 HA GLU A 44 8.915 6.669 8.290 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.360 7.252 10.051 1.00 1.00 H new ATOM 0 HB3 GLU A 44 10.996 8.067 8.542 1.00 1.00 H new ATOM 0 HG2 GLU A 44 8.813 8.877 9.513 1.00 1.00 H new ATOM 0 HG3 GLU A 44 9.192 8.073 11.023 1.00 1.00 H new ATOM 742 N GLN A 45 11.128 4.365 8.804 1.00 1.00 N ATOM 743 CA GLN A 45 12.016 3.401 8.161 1.00 1.00 C ATOM 744 C GLN A 45 11.242 2.502 7.207 1.00 1.00 C ATOM 745 O GLN A 45 11.718 2.178 6.118 1.00 1.00 O ATOM 746 CB GLN A 45 12.720 2.524 9.229 1.00 1.00 C ATOM 747 CG GLN A 45 13.870 1.681 8.610 1.00 1.00 C ATOM 748 CD GLN A 45 15.014 2.597 8.176 1.00 1.00 C ATOM 749 OE1 GLN A 45 15.316 2.698 6.988 1.00 1.00 O ATOM 750 NE2 GLN A 45 15.641 3.297 9.080 1.00 1.00 N ATOM 0 H GLN A 45 10.923 4.160 9.782 1.00 1.00 H new ATOM 0 HA GLN A 45 12.762 3.959 7.595 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.119 3.161 10.018 1.00 1.00 H new ATOM 0 HB3 GLN A 45 11.991 1.860 9.694 1.00 1.00 H new ATOM 0 HG2 GLN A 45 14.231 0.954 9.337 1.00 1.00 H new ATOM 0 HG3 GLN A 45 13.499 1.118 7.754 1.00 1.00 H new ATOM 0 HE21 GLN A 45 15.384 3.207 10.063 1.00 1.00 H new ATOM 0 HE22 GLN A 45 16.388 3.934 8.804 1.00 1.00 H new ATOM 759 N ILE A 46 10.050 2.083 7.617 1.00 1.00 N ATOM 760 CA ILE A 46 9.228 1.177 6.813 1.00 1.00 C ATOM 761 C ILE A 46 8.781 1.864 5.527 1.00 1.00 C ATOM 762 O ILE A 46 8.216 2.957 5.539 1.00 1.00 O ATOM 763 CB ILE A 46 7.980 0.704 7.633 1.00 1.00 C ATOM 764 CG1 ILE A 46 8.390 0.381 9.105 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.359 -0.563 6.980 1.00 1.00 C ATOM 766 CD1 ILE A 46 9.588 -0.590 9.170 1.00 1.00 C ATOM 0 H ILE A 46 9.627 2.356 8.504 1.00 1.00 H new ATOM 0 HA ILE A 46 9.828 0.305 6.552 1.00 1.00 H new ATOM 0 HB ILE A 46 7.243 1.507 7.634 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.644 1.306 9.622 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.541 -0.055 9.631 1.00 1.00 H new ATOM 0 HG21 ILE A 46 6.492 -0.883 7.558 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.050 -0.333 5.960 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.099 -1.363 6.963 1.00 1.00 H new ATOM 0 HD11 ILE A 46 9.840 -0.788 10.212 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.325 -1.526 8.676 1.00 1.00 H new ATOM 0 HD13 ILE A 46 10.446 -0.143 8.668 1.00 1.00 H new ATOM 778 N SER A 47 9.039 1.215 4.396 1.00 1.00 N ATOM 779 CA SER A 47 8.676 1.745 3.067 1.00 1.00 C ATOM 780 C SER A 47 7.574 0.882 2.451 1.00 1.00 C ATOM 781 O SER A 47 7.756 -0.303 2.174 1.00 1.00 O ATOM 782 CB SER A 47 9.932 1.757 2.161 1.00 1.00 C ATOM 783 OG SER A 47 10.475 3.072 2.138 1.00 1.00 O ATOM 0 H SER A 47 9.504 0.308 4.365 1.00 1.00 H new ATOM 0 HA SER A 47 8.302 2.764 3.164 1.00 1.00 H new ATOM 0 HB2 SER A 47 10.673 1.050 2.535 1.00 1.00 H new ATOM 0 HB3 SER A 47 9.671 1.440 1.151 1.00 1.00 H new ATOM 0 HG SER A 47 11.272 3.087 1.568 1.00 1.00 H new ATOM 789 N LEU A 48 6.415 1.494 2.228 1.00 1.00 N ATOM 790 CA LEU A 48 5.259 0.786 1.644 1.00 1.00 C ATOM 791 C LEU A 48 4.665 1.582 0.504 1.00 1.00 C ATOM 792 O LEU A 48 4.483 2.799 0.584 1.00 1.00 O ATOM 793 CB LEU A 48 4.193 0.555 2.735 1.00 1.00 C ATOM 794 CG LEU A 48 4.774 -0.285 3.913 1.00 1.00 C ATOM 795 CD1 LEU A 48 3.776 -0.299 5.089 1.00 1.00 C ATOM 796 CD2 LEU A 48 5.079 -1.753 3.478 1.00 1.00 C ATOM 0 H LEU A 48 6.242 2.477 2.439 1.00 1.00 H new ATOM 0 HA LEU A 48 5.596 -0.174 1.253 1.00 1.00 H new ATOM 0 HB2 LEU A 48 3.836 1.515 3.109 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.333 0.040 2.306 1.00 1.00 H new ATOM 0 HG LEU A 48 5.710 0.181 4.222 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.188 -0.888 5.909 1.00 1.00 H new ATOM 0 HD12 LEU A 48 3.599 0.722 5.428 1.00 1.00 H new ATOM 0 HD13 LEU A 48 2.835 -0.741 4.762 1.00 1.00 H new ATOM 0 HD21 LEU A 48 5.482 -2.307 4.325 1.00 1.00 H new ATOM 0 HD22 LEU A 48 4.160 -2.230 3.137 1.00 1.00 H new ATOM 0 HD23 LEU A 48 5.808 -1.748 2.668 1.00 1.00 H new ATOM 808 N TRP A 49 4.335 0.881 -0.576 1.00 1.00 N ATOM 809 CA TRP A 49 3.735 1.494 -1.740 1.00 1.00 C ATOM 810 C TRP A 49 2.991 0.438 -2.546 1.00 1.00 C ATOM 811 O TRP A 49 2.972 -0.740 -2.194 1.00 1.00 O ATOM 812 CB TRP A 49 4.823 2.206 -2.589 1.00 1.00 C ATOM 813 CG TRP A 49 5.613 1.207 -3.392 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.260 0.735 -4.612 1.00 1.00 C ATOM 815 CD2 TRP A 49 6.855 0.543 -3.041 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.214 -0.156 -5.042 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.220 -0.315 -4.106 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.693 0.608 -1.919 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.378 -1.084 -4.055 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.862 -0.164 -1.864 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.207 -1.010 -2.930 1.00 1.00 C ATOM 0 H TRP A 49 4.478 -0.125 -0.662 1.00 1.00 H new ATOM 0 HA TRP A 49 3.015 2.251 -1.429 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.354 2.928 -3.258 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.493 2.765 -1.935 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.371 1.014 -5.159 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.184 -0.640 -5.939 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.437 1.256 -1.093 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.636 -1.734 -4.878 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.502 -0.108 -0.996 1.00 1.00 H new ATOM 0 HH2 TRP A 49 10.109 -1.602 -2.882 1.00 1.00 H new ATOM 832 N ILE A 50 2.365 0.864 -3.637 1.00 1.00 N ATOM 833 CA ILE A 50 1.597 -0.038 -4.513 1.00 1.00 C ATOM 834 C ILE A 50 1.829 0.325 -5.980 1.00 1.00 C ATOM 835 O ILE A 50 2.117 1.468 -6.333 1.00 1.00 O ATOM 836 CB ILE A 50 0.070 0.048 -4.198 1.00 1.00 C ATOM 837 CG1 ILE A 50 -0.138 0.198 -2.662 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.658 -1.233 -4.718 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.627 0.263 -2.309 1.00 1.00 C ATOM 0 H ILE A 50 2.370 1.836 -3.945 1.00 1.00 H new ATOM 0 HA ILE A 50 1.940 -1.056 -4.329 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.352 0.917 -4.702 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.325 -0.643 -2.146 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.362 1.101 -2.311 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.722 -1.163 -4.493 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.519 -1.318 -5.796 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.241 -2.113 -4.228 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.741 0.368 -1.230 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -2.082 1.119 -2.807 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -2.119 -0.652 -2.639 1.00 1.00 H new ATOM 851 N ASP A 51 1.694 -0.677 -6.843 1.00 1.00 N ATOM 852 CA ASP A 51 1.874 -0.487 -8.293 1.00 1.00 C ATOM 853 C ASP A 51 0.528 -0.556 -9.031 1.00 1.00 C ATOM 854 O ASP A 51 -0.065 -1.620 -9.202 1.00 1.00 O ATOM 855 CB ASP A 51 2.824 -1.571 -8.818 1.00 1.00 C ATOM 856 CG ASP A 51 4.143 -1.523 -8.044 1.00 1.00 C ATOM 857 OD1 ASP A 51 4.508 -0.452 -7.583 1.00 1.00 O ATOM 858 OD2 ASP A 51 4.770 -2.560 -7.930 1.00 1.00 O ATOM 0 H ASP A 51 1.461 -1.632 -6.571 1.00 1.00 H new ATOM 0 HA ASP A 51 2.299 0.500 -8.474 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.364 -2.553 -8.711 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.010 -1.421 -9.881 1.00 1.00 H new ATOM 863 N ALA A 52 0.062 0.602 -9.485 1.00 1.00 N ATOM 864 CA ALA A 52 -1.209 0.688 -10.228 1.00 1.00 C ATOM 865 C ALA A 52 -0.986 0.326 -11.699 1.00 1.00 C ATOM 866 O ALA A 52 -1.933 0.339 -12.487 1.00 1.00 O ATOM 867 CB ALA A 52 -1.786 2.116 -10.114 1.00 1.00 C ATOM 0 H ALA A 52 0.536 1.496 -9.357 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.920 -0.018 -9.799 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.725 2.174 -10.665 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.965 2.353 -9.065 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -1.076 2.830 -10.531 1.00 1.00 H new ATOM 873 N THR A 53 0.243 -0.009 -12.078 1.00 1.00 N ATOM 874 CA THR A 53 0.545 -0.383 -13.463 1.00 1.00 C ATOM 875 C THR A 53 -0.161 -1.677 -13.810 1.00 1.00 C ATOM 876 O THR A 53 -0.564 -2.428 -12.921 1.00 1.00 O ATOM 877 CB THR A 53 2.061 -0.564 -13.653 1.00 1.00 C ATOM 878 OG1 THR A 53 2.329 -0.683 -15.041 1.00 1.00 O ATOM 879 CG2 THR A 53 2.582 -1.834 -12.916 1.00 1.00 C ATOM 0 H THR A 53 1.047 -0.030 -11.451 1.00 1.00 H new ATOM 0 HA THR A 53 0.197 0.414 -14.121 1.00 1.00 H new ATOM 0 HB THR A 53 2.572 0.301 -13.230 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.292 -0.797 -15.180 1.00 1.00 H new ATOM 0 HG21 THR A 53 3.656 -1.930 -13.072 1.00 1.00 H new ATOM 0 HG22 THR A 53 2.377 -1.745 -11.849 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.078 -2.716 -13.310 1.00 1.00 H new ATOM 887 N GLY A 54 -0.318 -1.953 -15.100 1.00 1.00 N ATOM 888 CA GLY A 54 -1.009 -3.177 -15.556 1.00 1.00 C ATOM 889 C GLY A 54 -2.470 -3.230 -15.046 1.00 1.00 C ATOM 890 O GLY A 54 -3.410 -3.530 -15.780 1.00 1.00 O ATOM 0 H GLY A 54 0.019 -1.355 -15.854 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -1.002 -3.215 -16.645 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -0.467 -4.054 -15.202 1.00 1.00 H new ATOM 894 N LYS A 55 -2.627 -2.933 -13.760 1.00 1.00 N ATOM 895 CA LYS A 55 -3.925 -2.937 -13.101 1.00 1.00 C ATOM 896 C LYS A 55 -4.924 -2.101 -13.905 1.00 1.00 C ATOM 897 O LYS A 55 -4.613 -1.023 -14.412 1.00 1.00 O ATOM 898 CB LYS A 55 -3.796 -2.353 -11.649 1.00 1.00 C ATOM 899 CG LYS A 55 -3.418 -3.443 -10.609 1.00 1.00 C ATOM 900 CD LYS A 55 -1.971 -3.930 -10.842 1.00 1.00 C ATOM 901 CE LYS A 55 -1.615 -5.028 -9.837 1.00 1.00 C ATOM 902 NZ LYS A 55 -0.226 -5.477 -10.092 1.00 1.00 N ATOM 0 H LYS A 55 -1.853 -2.682 -13.145 1.00 1.00 H new ATOM 0 HA LYS A 55 -4.283 -3.965 -13.042 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -3.040 -1.568 -11.641 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.740 -1.890 -11.360 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.516 -3.042 -9.600 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -4.108 -4.283 -10.686 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.866 -4.309 -11.858 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -1.278 -3.095 -10.740 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -1.709 -4.652 -8.818 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -2.306 -5.866 -9.933 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 0.027 -6.224 -9.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -0.154 -5.849 -11.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 0.425 -4.673 -9.981 1.00 1.00 H new ATOM 916 N ALA A 56 -6.139 -2.626 -14.023 1.00 1.00 N ATOM 917 CA ALA A 56 -7.213 -1.965 -14.756 1.00 1.00 C ATOM 918 C ALA A 56 -8.247 -1.435 -13.776 1.00 1.00 C ATOM 919 O ALA A 56 -8.192 -1.677 -12.571 1.00 1.00 O ATOM 920 CB ALA A 56 -7.850 -2.983 -15.716 1.00 1.00 C ATOM 0 H ALA A 56 -6.407 -3.521 -13.614 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.820 -1.125 -15.329 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.656 -2.504 -16.272 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -7.095 -3.348 -16.413 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -8.251 -3.820 -15.145 1.00 1.00 H new ATOM 926 N VAL A 57 -9.210 -0.689 -14.308 1.00 1.00 N ATOM 927 CA VAL A 57 -10.263 -0.121 -13.512 1.00 1.00 C ATOM 928 C VAL A 57 -11.093 -1.225 -12.871 1.00 1.00 C ATOM 929 O VAL A 57 -11.287 -2.302 -13.436 1.00 1.00 O ATOM 930 CB VAL A 57 -11.147 0.788 -14.386 1.00 1.00 C ATOM 931 CG1 VAL A 57 -10.324 1.995 -14.897 1.00 1.00 C ATOM 932 CG2 VAL A 57 -11.718 -0.014 -15.581 1.00 1.00 C ATOM 0 H VAL A 57 -9.272 -0.469 -15.302 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.824 0.481 -12.716 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.977 1.158 -13.784 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -10.957 2.632 -15.514 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -9.952 2.567 -14.047 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -9.482 1.637 -15.490 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.342 0.638 -16.192 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -10.897 -0.401 -16.185 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -12.318 -0.844 -15.209 1.00 1.00 H new ATOM 942 N GLY A 58 -11.600 -0.953 -11.674 1.00 1.00 N ATOM 943 CA GLY A 58 -12.426 -1.907 -10.925 1.00 1.00 C ATOM 944 C GLY A 58 -11.748 -2.272 -9.633 1.00 1.00 C ATOM 945 O GLY A 58 -10.630 -1.842 -9.355 1.00 1.00 O ATOM 0 H GLY A 58 -11.453 -0.067 -11.191 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -13.404 -1.472 -10.721 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -12.594 -2.803 -11.523 1.00 1.00 H new ATOM 949 N GLU A 59 -12.437 -3.071 -8.825 1.00 1.00 N ATOM 950 CA GLU A 59 -11.905 -3.497 -7.519 1.00 1.00 C ATOM 951 C GLU A 59 -11.134 -4.804 -7.618 1.00 1.00 C ATOM 952 O GLU A 59 -11.633 -5.810 -8.126 1.00 1.00 O ATOM 953 CB GLU A 59 -13.060 -3.639 -6.486 1.00 1.00 C ATOM 954 CG GLU A 59 -14.055 -2.443 -6.624 1.00 1.00 C ATOM 955 CD GLU A 59 -15.053 -2.657 -7.776 1.00 1.00 C ATOM 956 OE1 GLU A 59 -14.929 -3.643 -8.488 1.00 1.00 O ATOM 957 OE2 GLU A 59 -15.932 -1.826 -7.923 1.00 1.00 O ATOM 0 H GLU A 59 -13.363 -3.440 -9.043 1.00 1.00 H new ATOM 0 HA GLU A 59 -11.211 -2.727 -7.184 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -13.586 -4.580 -6.645 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -12.653 -3.668 -5.475 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -14.601 -2.315 -5.689 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.496 -1.523 -6.794 1.00 1.00 H new ATOM 964 N HIS A 60 -9.901 -4.775 -7.121 1.00 1.00 N ATOM 965 CA HIS A 60 -9.037 -5.946 -7.128 1.00 1.00 C ATOM 966 C HIS A 60 -8.126 -5.936 -5.905 1.00 1.00 C ATOM 967 O HIS A 60 -7.697 -4.885 -5.423 1.00 1.00 O ATOM 968 CB HIS A 60 -8.222 -5.964 -8.430 1.00 1.00 C ATOM 969 CG HIS A 60 -9.166 -5.971 -9.611 1.00 1.00 C ATOM 970 ND1 HIS A 60 -9.767 -7.131 -10.071 1.00 1.00 N ATOM 971 CD2 HIS A 60 -9.640 -4.961 -10.412 1.00 1.00 C ATOM 972 CE1 HIS A 60 -10.556 -6.795 -11.106 1.00 1.00 C ATOM 973 NE2 HIS A 60 -10.516 -5.484 -11.357 1.00 1.00 N ATOM 0 H HIS A 60 -9.477 -3.945 -6.706 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.642 -6.851 -7.082 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -7.570 -5.092 -8.476 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -7.580 -6.844 -8.458 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -9.373 -3.918 -10.322 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -11.151 -7.500 -11.667 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -11.019 -4.976 -12.085 1.00 1.00 H new ATOM 982 N THR A 61 -7.809 -7.125 -5.404 1.00 1.00 N ATOM 983 CA THR A 61 -6.923 -7.275 -4.244 1.00 1.00 C ATOM 984 C THR A 61 -5.484 -7.231 -4.723 1.00 1.00 C ATOM 985 O THR A 61 -5.150 -7.753 -5.788 1.00 1.00 O ATOM 986 CB THR A 61 -7.196 -8.609 -3.514 1.00 1.00 C ATOM 987 OG1 THR A 61 -8.584 -8.706 -3.237 1.00 1.00 O ATOM 988 CG2 THR A 61 -6.408 -8.661 -2.185 1.00 1.00 C ATOM 0 H THR A 61 -8.153 -8.007 -5.783 1.00 1.00 H new ATOM 0 HA THR A 61 -7.109 -6.463 -3.541 1.00 1.00 H new ATOM 0 HB THR A 61 -6.878 -9.437 -4.148 1.00 1.00 H new ATOM 0 HG1 THR A 61 -8.767 -9.551 -2.775 1.00 1.00 H new ATOM 0 HG21 THR A 61 -6.609 -9.606 -1.680 1.00 1.00 H new ATOM 0 HG22 THR A 61 -5.341 -8.579 -2.391 1.00 1.00 H new ATOM 0 HG23 THR A 61 -6.718 -7.835 -1.546 1.00 1.00 H new ATOM 996 N VAL A 62 -4.614 -6.592 -3.949 1.00 1.00 N ATOM 997 CA VAL A 62 -3.189 -6.471 -4.327 1.00 1.00 C ATOM 998 C VAL A 62 -2.289 -6.564 -3.098 1.00 1.00 C ATOM 999 O VAL A 62 -2.670 -6.215 -1.980 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.967 -5.127 -5.073 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.742 -5.114 -6.425 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -3.456 -3.949 -4.191 1.00 1.00 C ATOM 0 H VAL A 62 -4.856 -6.150 -3.062 1.00 1.00 H new ATOM 0 HA VAL A 62 -2.926 -7.296 -4.989 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.901 -5.018 -5.275 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.573 -4.164 -6.932 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.388 -5.930 -7.055 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.808 -5.239 -6.235 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -3.298 -3.009 -4.719 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -4.518 -4.071 -3.977 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.897 -3.938 -3.256 1.00 1.00 H new ATOM 1012 N LYS A 63 -1.066 -7.035 -3.320 1.00 1.00 N ATOM 1013 CA LYS A 63 -0.077 -7.184 -2.239 1.00 1.00 C ATOM 1014 C LYS A 63 0.840 -5.964 -2.176 1.00 1.00 C ATOM 1015 O LYS A 63 1.138 -5.295 -3.166 1.00 1.00 O ATOM 1016 CB LYS A 63 0.756 -8.457 -2.470 1.00 1.00 C ATOM 1017 CG LYS A 63 -0.171 -9.692 -2.499 1.00 1.00 C ATOM 1018 CD LYS A 63 0.667 -10.971 -2.699 1.00 1.00 C ATOM 1019 CE LYS A 63 -0.255 -12.199 -2.776 1.00 1.00 C ATOM 1020 NZ LYS A 63 -1.050 -12.289 -1.520 1.00 1.00 N ATOM 0 H LYS A 63 -0.728 -7.323 -4.238 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.606 -7.266 -1.290 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.303 -8.379 -3.410 1.00 1.00 H new ATOM 0 HB3 LYS A 63 1.497 -8.566 -1.678 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -0.734 -9.757 -1.568 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -0.898 -9.593 -3.305 1.00 1.00 H new ATOM 0 HD2 LYS A 63 1.256 -10.890 -3.613 1.00 1.00 H new ATOM 0 HD3 LYS A 63 1.371 -11.086 -1.875 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -0.919 -12.118 -3.637 1.00 1.00 H new ATOM 0 HE3 LYS A 63 0.335 -13.105 -2.913 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -1.424 -13.254 -1.414 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -0.442 -12.062 -0.707 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -1.840 -11.614 -1.560 1.00 1.00 H new ATOM 1034 N ILE A 64 1.292 -5.658 -0.964 1.00 1.00 N ATOM 1035 CA ILE A 64 2.185 -4.497 -0.726 1.00 1.00 C ATOM 1036 C ILE A 64 3.639 -4.965 -0.783 1.00 1.00 C ATOM 1037 O ILE A 64 4.025 -5.880 -0.056 1.00 1.00 O ATOM 1038 CB ILE A 64 1.868 -3.872 0.677 1.00 1.00 C ATOM 1039 CG1 ILE A 64 0.319 -3.830 0.907 1.00 1.00 C ATOM 1040 CG2 ILE A 64 2.448 -2.432 0.775 1.00 1.00 C ATOM 1041 CD1 ILE A 64 -0.396 -3.110 -0.254 1.00 1.00 C ATOM 0 H ILE A 64 1.063 -6.189 -0.124 1.00 1.00 H new ATOM 0 HA ILE A 64 2.023 -3.739 -1.492 1.00 1.00 H new ATOM 0 HB ILE A 64 2.331 -4.493 1.444 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.065 -4.846 1.001 1.00 1.00 H new ATOM 0 HG13 ILE A 64 0.101 -3.319 1.845 1.00 1.00 H new ATOM 0 HG21 ILE A 64 2.219 -2.013 1.755 1.00 1.00 H new ATOM 0 HG22 ILE A 64 3.529 -2.465 0.638 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.003 -1.807 0.001 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -1.470 -3.096 -0.067 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -0.027 -2.087 -0.330 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -0.197 -3.637 -1.187 1.00 1.00 H new ATOM 1053 N TYR A 65 4.463 -4.362 -1.633 1.00 1.00 N ATOM 1054 CA TYR A 65 5.873 -4.735 -1.754 1.00 1.00 C ATOM 1055 C TYR A 65 6.633 -4.273 -0.518 1.00 1.00 C ATOM 1056 O TYR A 65 7.157 -3.160 -0.469 1.00 1.00 O ATOM 1057 CB TYR A 65 6.510 -4.086 -2.999 1.00 1.00 C ATOM 1058 CG TYR A 65 5.860 -4.632 -4.277 1.00 1.00 C ATOM 1059 CD1 TYR A 65 6.396 -5.775 -4.908 1.00 1.00 C ATOM 1060 CD2 TYR A 65 4.745 -3.986 -4.846 1.00 1.00 C ATOM 1061 CE1 TYR A 65 5.818 -6.265 -6.080 1.00 1.00 C ATOM 1062 CE2 TYR A 65 4.170 -4.487 -6.019 1.00 1.00 C ATOM 1063 CZ TYR A 65 4.712 -5.617 -6.638 1.00 1.00 C ATOM 1064 OH TYR A 65 4.148 -6.104 -7.797 1.00 1.00 O ATOM 0 H TYR A 65 4.178 -3.606 -2.255 1.00 1.00 H new ATOM 0 HA TYR A 65 5.930 -5.819 -1.850 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.389 -3.004 -2.955 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.581 -4.286 -3.014 1.00 1.00 H new ATOM 0 HD1 TYR A 65 7.256 -6.272 -4.483 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.334 -3.104 -4.377 1.00 1.00 H new ATOM 0 HE1 TYR A 65 6.225 -7.145 -6.556 1.00 1.00 H new ATOM 0 HE2 TYR A 65 3.306 -4.000 -6.447 1.00 1.00 H new ATOM 0 HH TYR A 65 3.388 -5.541 -8.053 1.00 1.00 H new ATOM 1074 N TRP A 66 6.715 -5.147 0.480 1.00 1.00 N ATOM 1075 CA TRP A 66 7.414 -4.857 1.727 1.00 1.00 C ATOM 1076 C TRP A 66 8.852 -4.361 1.455 1.00 1.00 C ATOM 1077 O TRP A 66 9.509 -4.811 0.517 1.00 1.00 O ATOM 1078 CB TRP A 66 7.401 -6.154 2.619 1.00 1.00 C ATOM 1079 CG TRP A 66 8.784 -6.769 2.738 1.00 1.00 C ATOM 1080 CD1 TRP A 66 9.507 -6.821 3.870 1.00 1.00 C ATOM 1081 CD2 TRP A 66 9.605 -7.386 1.700 1.00 1.00 C ATOM 1082 NE1 TRP A 66 10.715 -7.440 3.614 1.00 1.00 N ATOM 1083 CE2 TRP A 66 10.823 -7.809 2.286 1.00 1.00 C ATOM 1084 CE3 TRP A 66 9.412 -7.622 0.325 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 11.814 -8.445 1.537 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 10.411 -8.262 -0.434 1.00 1.00 C ATOM 1087 CH2 TRP A 66 11.607 -8.674 0.174 1.00 1.00 C ATOM 0 H TRP A 66 6.298 -6.077 0.447 1.00 1.00 H new ATOM 0 HA TRP A 66 6.906 -4.053 2.259 1.00 1.00 H new ATOM 0 HB2 TRP A 66 7.025 -5.908 3.612 1.00 1.00 H new ATOM 0 HB3 TRP A 66 6.714 -6.884 2.190 1.00 1.00 H new ATOM 0 HD1 TRP A 66 9.193 -6.439 4.830 1.00 1.00 H new ATOM 0 HE1 TRP A 66 11.436 -7.604 4.316 1.00 1.00 H new ATOM 0 HE3 TRP A 66 8.493 -7.311 -0.150 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 12.734 -8.758 2.007 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 10.256 -8.436 -1.488 1.00 1.00 H new ATOM 0 HH2 TRP A 66 12.368 -9.168 -0.412 1.00 1.00 H new ATOM 1098 N GLN A 67 9.327 -3.441 2.288 1.00 1.00 N ATOM 1099 CA GLN A 67 10.689 -2.916 2.141 1.00 1.00 C ATOM 1100 C GLN A 67 11.239 -2.454 3.488 1.00 1.00 C ATOM 1101 O GLN A 67 10.965 -1.340 3.931 1.00 1.00 O ATOM 1102 CB GLN A 67 10.672 -1.748 1.143 1.00 1.00 C ATOM 1103 CG GLN A 67 12.096 -1.170 0.911 1.00 1.00 C ATOM 1104 CD GLN A 67 12.996 -2.230 0.277 1.00 1.00 C ATOM 1105 OE1 GLN A 67 12.588 -2.895 -0.673 1.00 1.00 O ATOM 1106 NE2 GLN A 67 14.177 -2.460 0.778 1.00 1.00 N ATOM 0 H GLN A 67 8.799 -3.044 3.065 1.00 1.00 H new ATOM 0 HA GLN A 67 11.339 -3.707 1.767 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.257 -2.087 0.193 1.00 1.00 H new ATOM 0 HB3 GLN A 67 10.016 -0.961 1.515 1.00 1.00 H new ATOM 0 HG2 GLN A 67 12.041 -0.295 0.264 1.00 1.00 H new ATOM 0 HG3 GLN A 67 12.522 -0.840 1.859 1.00 1.00 H new ATOM 0 HE21 GLN A 67 14.513 -1.907 1.566 1.00 1.00 H new ATOM 0 HE22 GLN A 67 14.765 -3.193 0.382 1.00 1.00 H new ATOM 1115 N LEU A 68 12.029 -3.304 4.136 1.00 1.00 N ATOM 1116 CA LEU A 68 12.631 -2.958 5.425 1.00 1.00 C ATOM 1117 C LEU A 68 13.912 -3.788 5.664 1.00 1.00 C ATOM 1118 O LEU A 68 14.102 -4.828 5.032 1.00 1.00 O ATOM 1119 CB LEU A 68 11.595 -3.158 6.584 1.00 1.00 C ATOM 1120 CG LEU A 68 10.684 -4.386 6.335 1.00 1.00 C ATOM 1121 CD1 LEU A 68 11.530 -5.696 6.230 1.00 1.00 C ATOM 1122 CD2 LEU A 68 9.657 -4.490 7.482 1.00 1.00 C ATOM 0 H LEU A 68 12.268 -4.235 3.794 1.00 1.00 H new ATOM 0 HA LEU A 68 12.915 -1.906 5.409 1.00 1.00 H new ATOM 0 HB2 LEU A 68 12.125 -3.284 7.528 1.00 1.00 H new ATOM 0 HB3 LEU A 68 10.980 -2.263 6.681 1.00 1.00 H new ATOM 0 HG LEU A 68 10.159 -4.258 5.388 1.00 1.00 H new ATOM 0 HD11 LEU A 68 10.868 -6.544 6.055 1.00 1.00 H new ATOM 0 HD12 LEU A 68 12.234 -5.609 5.403 1.00 1.00 H new ATOM 0 HD13 LEU A 68 12.079 -5.850 7.159 1.00 1.00 H new ATOM 0 HD21 LEU A 68 9.011 -5.352 7.315 1.00 1.00 H new ATOM 0 HD22 LEU A 68 10.181 -4.608 8.430 1.00 1.00 H new ATOM 0 HD23 LEU A 68 9.052 -3.584 7.512 1.00 1.00 H new ATOM 1134 N PRO A 69 14.777 -3.364 6.544 1.00 1.00 N ATOM 1135 CA PRO A 69 16.062 -4.101 6.839 1.00 1.00 C ATOM 1136 C PRO A 69 15.958 -5.638 6.685 1.00 1.00 C ATOM 1137 O PRO A 69 15.189 -6.304 7.376 1.00 1.00 O ATOM 1138 CB PRO A 69 16.344 -3.711 8.308 1.00 1.00 C ATOM 1139 CG PRO A 69 15.816 -2.297 8.448 1.00 1.00 C ATOM 1140 CD PRO A 69 14.700 -2.127 7.378 1.00 1.00 C ATOM 0 HA PRO A 69 16.850 -3.830 6.136 1.00 1.00 H new ATOM 0 HB2 PRO A 69 15.844 -4.389 8.999 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.410 -3.758 8.531 1.00 1.00 H new ATOM 0 HG2 PRO A 69 15.420 -2.129 9.450 1.00 1.00 H new ATOM 0 HG3 PRO A 69 16.613 -1.570 8.294 1.00 1.00 H new ATOM 0 HD2 PRO A 69 13.719 -2.024 7.843 1.00 1.00 H new ATOM 0 HD3 PRO A 69 14.863 -1.233 6.776 1.00 1.00 H new ATOM 1148 N ALA A 70 16.745 -6.185 5.762 1.00 1.00 N ATOM 1149 CA ALA A 70 16.736 -7.634 5.503 1.00 1.00 C ATOM 1150 C ALA A 70 17.208 -8.434 6.732 1.00 1.00 C ATOM 1151 O ALA A 70 18.287 -9.023 6.749 1.00 1.00 O ATOM 1152 CB ALA A 70 17.645 -7.942 4.313 1.00 1.00 C ATOM 0 H ALA A 70 17.395 -5.656 5.181 1.00 1.00 H new ATOM 0 HA ALA A 70 15.711 -7.932 5.282 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.640 -9.015 4.119 1.00 1.00 H new ATOM 0 HB2 ALA A 70 17.283 -7.412 3.432 1.00 1.00 H new ATOM 0 HB3 ALA A 70 18.661 -7.619 4.538 1.00 1.00 H new ATOM 1158 N GLY A 71 16.381 -8.443 7.772 1.00 1.00 N ATOM 1159 CA GLY A 71 16.685 -9.156 9.025 1.00 1.00 C ATOM 1160 C GLY A 71 15.411 -9.635 9.696 1.00 1.00 C ATOM 1161 O GLY A 71 15.418 -10.583 10.480 1.00 1.00 O ATOM 0 H GLY A 71 15.482 -7.961 7.779 1.00 1.00 H new ATOM 0 HA2 GLY A 71 17.333 -10.007 8.816 1.00 1.00 H new ATOM 0 HA3 GLY A 71 17.231 -8.497 9.700 1.00 1.00 H new ATOM 1165 N ILE A 72 14.307 -8.958 9.392 1.00 1.00 N ATOM 1166 CA ILE A 72 12.985 -9.270 9.967 1.00 1.00 C ATOM 1167 C ILE A 72 12.163 -10.088 8.990 1.00 1.00 C ATOM 1168 O ILE A 72 12.386 -10.090 7.780 1.00 1.00 O ATOM 1169 CB ILE A 72 12.208 -7.941 10.342 1.00 1.00 C ATOM 1170 CG1 ILE A 72 13.199 -6.734 10.387 1.00 1.00 C ATOM 1171 CG2 ILE A 72 11.533 -8.079 11.722 1.00 1.00 C ATOM 1172 CD1 ILE A 72 14.369 -6.966 11.394 1.00 1.00 C ATOM 0 H ILE A 72 14.295 -8.174 8.739 1.00 1.00 H new ATOM 0 HA ILE A 72 13.140 -9.852 10.875 1.00 1.00 H new ATOM 0 HB ILE A 72 11.447 -7.769 9.581 1.00 1.00 H new ATOM 0 HG12 ILE A 72 13.608 -6.565 9.391 1.00 1.00 H new ATOM 0 HG13 ILE A 72 12.656 -5.831 10.666 1.00 1.00 H new ATOM 0 HG21 ILE A 72 11.004 -7.157 11.962 1.00 1.00 H new ATOM 0 HG22 ILE A 72 10.825 -8.908 11.700 1.00 1.00 H new ATOM 0 HG23 ILE A 72 12.292 -8.270 12.481 1.00 1.00 H new ATOM 0 HD11 ILE A 72 15.030 -6.100 11.389 1.00 1.00 H new ATOM 0 HD12 ILE A 72 13.964 -7.108 12.396 1.00 1.00 H new ATOM 0 HD13 ILE A 72 14.931 -7.853 11.101 1.00 1.00 H new ATOM 1184 N GLU A 73 11.190 -10.809 9.539 1.00 1.00 N ATOM 1185 CA GLU A 73 10.288 -11.659 8.747 1.00 1.00 C ATOM 1186 C GLU A 73 8.874 -11.085 8.774 1.00 1.00 C ATOM 1187 O GLU A 73 8.455 -10.384 9.693 1.00 1.00 O ATOM 1188 CB GLU A 73 10.287 -13.080 9.332 1.00 1.00 C ATOM 1189 CG GLU A 73 11.711 -13.675 9.279 1.00 1.00 C ATOM 1190 CD GLU A 73 11.727 -15.101 9.840 1.00 1.00 C ATOM 1191 OE1 GLU A 73 10.662 -15.635 10.123 1.00 1.00 O ATOM 1192 OE2 GLU A 73 12.810 -15.644 9.976 1.00 1.00 O ATOM 0 H GLU A 73 11.000 -10.825 10.541 1.00 1.00 H new ATOM 0 HA GLU A 73 10.634 -11.691 7.714 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.932 -13.058 10.362 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.599 -13.712 8.771 1.00 1.00 H new ATOM 0 HG2 GLU A 73 12.069 -13.680 8.250 1.00 1.00 H new ATOM 0 HG3 GLU A 73 12.394 -13.047 9.851 1.00 1.00 H new ATOM 1199 N MET A 74 8.117 -11.396 7.726 1.00 1.00 N ATOM 1200 CA MET A 74 6.725 -10.917 7.604 1.00 1.00 C ATOM 1201 C MET A 74 5.762 -12.008 8.073 1.00 1.00 C ATOM 1202 O MET A 74 5.688 -13.103 7.516 1.00 1.00 O ATOM 1203 CB MET A 74 6.436 -10.554 6.140 1.00 1.00 C ATOM 1204 CG MET A 74 7.437 -9.487 5.666 1.00 1.00 C ATOM 1205 SD MET A 74 7.063 -9.058 3.948 1.00 1.00 S ATOM 1206 CE MET A 74 8.138 -10.262 3.124 1.00 1.00 C ATOM 0 H MET A 74 8.433 -11.974 6.947 1.00 1.00 H new ATOM 0 HA MET A 74 6.588 -10.033 8.226 1.00 1.00 H new ATOM 0 HB2 MET A 74 6.512 -11.442 5.513 1.00 1.00 H new ATOM 0 HB3 MET A 74 5.417 -10.180 6.042 1.00 1.00 H new ATOM 0 HG2 MET A 74 7.373 -8.602 6.299 1.00 1.00 H new ATOM 0 HG3 MET A 74 8.457 -9.863 5.748 1.00 1.00 H new ATOM 0 HE1 MET A 74 8.046 -10.153 2.043 1.00 1.00 H new ATOM 0 HE2 MET A 74 9.173 -10.088 3.419 1.00 1.00 H new ATOM 0 HE3 MET A 74 7.843 -11.271 3.413 1.00 1.00 H new ATOM 1216 N VAL A 75 5.001 -11.702 9.120 1.00 1.00 N ATOM 1217 CA VAL A 75 4.042 -12.674 9.664 1.00 1.00 C ATOM 1218 C VAL A 75 3.016 -13.021 8.608 1.00 1.00 C ATOM 1219 O VAL A 75 3.054 -14.103 8.021 1.00 1.00 O ATOM 1220 CB VAL A 75 3.334 -12.084 10.914 1.00 1.00 C ATOM 1221 CG1 VAL A 75 2.231 -13.045 11.459 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.388 -11.810 12.039 1.00 1.00 C ATOM 0 H VAL A 75 5.024 -10.806 9.606 1.00 1.00 H new ATOM 0 HA VAL A 75 4.578 -13.577 9.957 1.00 1.00 H new ATOM 0 HB VAL A 75 2.854 -11.152 10.616 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.758 -12.598 12.333 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.480 -13.213 10.687 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.683 -13.997 11.738 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.887 -11.396 12.914 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.881 -12.743 12.311 1.00 1.00 H new ATOM 0 HG23 VAL A 75 5.131 -11.099 11.676 1.00 1.00 H new ATOM 1232 N SER A 76 2.071 -12.118 8.373 1.00 1.00 N ATOM 1233 CA SER A 76 1.016 -12.336 7.402 1.00 1.00 C ATOM 1234 C SER A 76 0.239 -11.061 7.211 1.00 1.00 C ATOM 1235 O SER A 76 0.254 -10.183 8.074 1.00 1.00 O ATOM 1236 CB SER A 76 0.057 -13.406 7.928 1.00 1.00 C ATOM 1237 OG SER A 76 -0.904 -13.728 6.924 1.00 1.00 O ATOM 0 H SER A 76 2.018 -11.218 8.851 1.00 1.00 H new ATOM 0 HA SER A 76 1.459 -12.653 6.458 1.00 1.00 H new ATOM 0 HB2 SER A 76 0.614 -14.299 8.211 1.00 1.00 H new ATOM 0 HB3 SER A 76 -0.447 -13.047 8.825 1.00 1.00 H new ATOM 0 HG SER A 76 -1.515 -14.415 7.264 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.465 -10.957 6.088 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.316 -9.785 5.827 1.00 1.00 C ATOM 1245 C ILE A 77 -0.508 -8.475 5.879 1.00 1.00 C ATOM 1246 O ILE A 77 0.667 -8.534 6.236 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.540 -9.767 6.868 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.216 -8.911 8.166 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -2.983 -11.195 7.250 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.438 -8.680 9.008 1.00 1.00 C ATOM 0 H ILE A 77 -0.469 -11.658 5.347 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.717 -9.862 4.817 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.371 -9.280 6.357 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.459 -9.424 8.759 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -1.793 -7.951 7.871 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.812 -11.142 7.955 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.301 -11.729 6.355 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.148 -11.724 7.710 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.170 -8.091 9.885 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.186 -8.143 8.425 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -3.847 -9.639 9.327 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.077 -7.332 5.606 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.508 -7.129 5.169 1.00 1.00 C ATOM 1264 C PRO A 78 -2.610 -6.899 3.695 1.00 1.00 C ATOM 1265 O PRO A 78 -1.627 -6.645 3.000 1.00 1.00 O ATOM 1266 CB PRO A 78 -2.954 -5.933 6.020 1.00 1.00 C ATOM 1267 CG PRO A 78 -1.696 -5.090 6.161 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.475 -6.009 5.753 1.00 1.00 C ATOM 0 HA PRO A 78 -3.148 -7.998 5.323 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -3.755 -5.375 5.535 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.331 -6.253 6.992 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -1.748 -4.210 5.520 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -1.584 -4.732 7.185 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.013 -5.673 4.825 1.00 1.00 H new ATOM 0 HD3 PRO A 78 0.303 -6.005 6.516 1.00 1.00 H new ATOM 1276 N ASP A 79 -3.842 -6.972 3.198 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.160 -6.790 1.810 1.00 1.00 C ATOM 1278 C ASP A 79 -4.980 -5.528 1.680 1.00 1.00 C ATOM 1279 O ASP A 79 -5.638 -5.054 2.606 1.00 1.00 O ATOM 1280 CB ASP A 79 -4.960 -8.013 1.281 1.00 1.00 C ATOM 1281 CG ASP A 79 -4.275 -9.325 1.687 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -3.193 -9.582 1.184 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -4.845 -10.056 2.484 1.00 1.00 O ATOM 0 H ASP A 79 -4.659 -7.165 3.777 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.247 -6.705 1.220 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -5.975 -7.989 1.677 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -5.040 -7.960 0.195 1.00 1.00 H new ATOM 1288 N VAL A 80 -4.941 -4.935 0.491 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.676 -3.691 0.218 1.00 1.00 C ATOM 1290 C VAL A 80 -6.579 -3.865 -1.003 1.00 1.00 C ATOM 1291 O VAL A 80 -6.221 -4.468 -2.014 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.680 -2.531 -0.013 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -5.445 -1.211 -0.322 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -3.813 -2.335 1.258 1.00 1.00 C ATOM 0 H VAL A 80 -4.410 -5.291 -0.304 1.00 1.00 H new ATOM 0 HA VAL A 80 -6.301 -3.454 1.079 1.00 1.00 H new ATOM 0 HB VAL A 80 -4.044 -2.778 -0.863 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -4.729 -0.405 -0.482 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -6.050 -1.343 -1.219 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -6.092 -0.960 0.518 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -3.110 -1.518 1.097 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -4.457 -2.098 2.105 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -3.261 -3.252 1.467 1.00 1.00 H new ATOM 1304 N THR A 81 -7.776 -3.301 -0.897 1.00 1.00 N ATOM 1305 CA THR A 81 -8.773 -3.344 -1.977 1.00 1.00 C ATOM 1306 C THR A 81 -9.455 -1.979 -2.127 1.00 1.00 C ATOM 1307 O THR A 81 -9.921 -1.394 -1.150 1.00 1.00 O ATOM 1308 CB THR A 81 -9.835 -4.413 -1.659 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.172 -5.622 -1.335 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.747 -4.642 -2.885 1.00 1.00 C ATOM 0 H THR A 81 -8.089 -2.801 -0.065 1.00 1.00 H new ATOM 0 HA THR A 81 -8.268 -3.593 -2.910 1.00 1.00 H new ATOM 0 HB THR A 81 -10.450 -4.080 -0.823 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.835 -6.313 -1.128 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.493 -5.400 -2.647 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.247 -3.709 -3.146 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.145 -4.978 -3.729 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.526 -1.479 -3.355 1.00 1.00 N ATOM 1319 CA TYR A 82 -10.170 -0.181 -3.634 1.00 1.00 C ATOM 1320 C TYR A 82 -10.843 -0.195 -4.999 1.00 1.00 C ATOM 1321 O TYR A 82 -10.955 -1.214 -5.680 1.00 1.00 O ATOM 1322 CB TYR A 82 -9.116 0.981 -3.543 1.00 1.00 C ATOM 1323 CG TYR A 82 -9.559 2.049 -2.524 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -10.846 2.633 -2.616 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -8.700 2.460 -1.500 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -11.251 3.595 -1.701 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -9.126 3.423 -0.590 1.00 1.00 C ATOM 1328 CZ TYR A 82 -10.390 3.985 -0.692 1.00 1.00 C ATOM 1329 OH TYR A 82 -10.785 4.933 0.218 1.00 1.00 O ATOM 0 H TYR A 82 -9.148 -1.945 -4.180 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.940 -0.008 -2.882 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -8.147 0.576 -3.253 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.989 1.439 -4.524 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -11.518 2.327 -3.404 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -7.712 2.033 -1.416 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -12.234 4.037 -1.777 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -8.465 3.736 0.205 1.00 1.00 H new ATOM 0 HH TYR A 82 -9.996 5.389 0.579 1.00 1.00 H new ATOM 1339 N THR A 83 -11.317 0.971 -5.427 1.00 1.00 N ATOM 1340 CA THR A 83 -12.009 1.120 -6.732 1.00 1.00 C ATOM 1341 C THR A 83 -11.375 2.214 -7.569 1.00 1.00 C ATOM 1342 O THR A 83 -11.481 3.405 -7.279 1.00 1.00 O ATOM 1343 CB THR A 83 -13.501 1.467 -6.508 1.00 1.00 C ATOM 1344 OG1 THR A 83 -14.071 0.534 -5.604 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.279 1.429 -7.849 1.00 1.00 C ATOM 0 H THR A 83 -11.241 1.839 -4.896 1.00 1.00 H new ATOM 0 HA THR A 83 -11.920 0.171 -7.261 1.00 1.00 H new ATOM 0 HB THR A 83 -13.568 2.473 -6.095 1.00 1.00 H new ATOM 0 HG1 THR A 83 -15.015 0.753 -5.460 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.325 1.676 -7.670 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.849 2.154 -8.540 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.211 0.431 -8.281 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.712 1.805 -8.646 1.00 1.00 N ATOM 1354 CA LEU A 84 -10.066 2.752 -9.551 1.00 1.00 C ATOM 1355 C LEU A 84 -11.046 3.191 -10.652 1.00 1.00 C ATOM 1356 O LEU A 84 -11.756 2.376 -11.240 1.00 1.00 O ATOM 1357 CB LEU A 84 -8.843 2.094 -10.188 1.00 1.00 C ATOM 1358 CG LEU A 84 -8.002 3.113 -11.028 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.333 4.183 -10.104 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -6.912 2.355 -11.815 1.00 1.00 C ATOM 0 H LEU A 84 -10.607 0.826 -8.914 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.757 3.630 -8.983 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.216 1.662 -9.408 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.165 1.274 -10.829 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.670 3.626 -11.720 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -6.755 4.879 -10.712 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.105 4.730 -9.562 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -6.672 3.687 -9.393 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.326 3.064 -12.400 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.258 1.832 -11.118 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.381 1.633 -12.484 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.090 4.489 -10.929 1.00 1.00 N ATOM 1373 CA LYS A 85 -11.975 5.054 -11.963 1.00 1.00 C ATOM 1374 C LYS A 85 -11.196 5.956 -12.910 1.00 1.00 C ATOM 1375 O LYS A 85 -10.093 6.424 -12.624 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.110 5.845 -11.289 1.00 1.00 C ATOM 1377 CG LYS A 85 -13.993 4.882 -10.464 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.135 5.660 -9.778 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.005 4.691 -8.958 1.00 1.00 C ATOM 1380 NZ LYS A 85 -16.558 3.649 -9.870 1.00 1.00 N ATOM 0 H LYS A 85 -10.518 5.185 -10.450 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.398 4.237 -12.548 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -12.694 6.618 -10.642 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.712 6.351 -12.044 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.408 4.111 -11.113 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.387 4.375 -9.713 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -14.723 6.432 -9.128 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -15.744 6.166 -10.527 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.412 4.226 -8.170 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -16.815 5.233 -8.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -17.409 3.230 -9.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -16.806 4.082 -10.782 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -15.845 2.907 -10.022 1.00 1.00 H new ATOM 1394 N ALA A 86 -11.789 6.203 -14.072 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.187 7.044 -15.112 1.00 1.00 C ATOM 1396 C ALA A 86 -11.292 8.513 -14.755 1.00 1.00 C ATOM 1397 O ALA A 86 -12.232 8.944 -14.088 1.00 1.00 O ATOM 1398 CB ALA A 86 -11.881 6.782 -16.464 1.00 1.00 C ATOM 0 H ALA A 86 -12.703 5.827 -14.325 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.131 6.787 -15.189 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.430 7.410 -17.232 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -11.763 5.733 -16.736 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -12.942 7.018 -16.380 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.313 9.290 -15.205 1.00 1.00 N ATOM 1405 CA LYS A 87 -10.288 10.723 -14.946 1.00 1.00 C ATOM 1406 C LYS A 87 -11.541 11.406 -15.517 1.00 1.00 C ATOM 1407 O LYS A 87 -11.954 11.150 -16.649 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.033 11.347 -15.590 1.00 1.00 C ATOM 1409 CG LYS A 87 -8.882 12.862 -15.216 1.00 1.00 C ATOM 1410 CD LYS A 87 -8.326 13.026 -13.780 1.00 1.00 C ATOM 1411 CE LYS A 87 -8.148 14.506 -13.438 1.00 1.00 C ATOM 1412 NZ LYS A 87 -9.484 15.159 -13.444 1.00 1.00 N ATOM 0 H LYS A 87 -9.523 8.949 -15.753 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.267 10.874 -13.867 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -8.147 10.802 -15.264 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -9.090 11.244 -16.674 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -8.215 13.351 -15.926 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -9.850 13.358 -15.294 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -9.006 12.561 -13.066 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -7.370 12.509 -13.693 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -7.678 14.614 -12.460 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -7.490 14.985 -14.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -9.428 16.069 -12.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -9.787 15.321 -14.426 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -10.173 14.544 -12.966 1.00 1.00 H new