USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 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 Single : A 17 THR OG1 : rot 73:sc= 0.285 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 71:sc= 0.231 USER MOD Single : A 25 TYR OH : rot 169:sc= 0.739 USER MOD Single : A 27 CYS SG : rot 85:sc= 0.43 USER MOD Single : A 29 CYS SG : rot 112:sc= 0.0434 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00509) USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= -0.3 (180deg=-1.72!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -162:sc= 0.866 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -165:sc= -7.06! (180deg=-7.42!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-7.1!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 71 TYR OH : rot -17:sc= -1.16! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.42) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 57:sc= 0.338 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.629 27.333 -5.274 1.00 0.00 N ATOM 133 CA VAL A 13 10.002 26.082 -4.624 1.00 0.00 C ATOM 134 C VAL A 13 9.125 25.811 -3.407 1.00 0.00 C ATOM 135 O VAL A 13 8.900 24.659 -3.036 1.00 0.00 O ATOM 136 CB VAL A 13 11.479 26.096 -4.186 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.784 27.347 -3.377 1.00 0.00 C ATOM 138 CG2 VAL A 13 11.810 24.843 -3.389 1.00 0.00 C ATOM 0 HA VAL A 13 9.855 25.289 -5.357 1.00 0.00 H new ATOM 0 HB VAL A 13 12.104 26.108 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.832 27.339 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.587 28.230 -3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.152 27.369 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.857 24.869 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.178 24.799 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.632 23.962 -4.006 1.00 0.00 H new ATOM 148 N GLU A 14 8.630 26.879 -2.791 1.00 0.00 N ATOM 149 CA GLU A 14 7.778 26.757 -1.614 1.00 0.00 C ATOM 150 C GLU A 14 6.499 25.992 -1.947 1.00 0.00 C ATOM 151 O GLU A 14 6.230 24.935 -1.378 1.00 0.00 O ATOM 152 CB GLU A 14 7.429 28.141 -1.063 1.00 0.00 C ATOM 153 CG GLU A 14 6.600 28.097 0.209 1.00 0.00 C ATOM 154 CD GLU A 14 6.855 29.288 1.114 1.00 0.00 C ATOM 155 OE1 GLU A 14 8.039 29.604 1.357 1.00 0.00 O ATOM 156 OE2 GLU A 14 5.872 29.903 1.578 1.00 0.00 O ATOM 0 H GLU A 14 8.804 27.839 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 14 8.328 26.201 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.351 28.688 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.883 28.699 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.542 28.064 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.823 27.179 0.752 1.00 0.00 H new ATOM 163 N ILE A 15 5.716 26.536 -2.873 1.00 0.00 N ATOM 164 CA ILE A 15 4.467 25.905 -3.282 1.00 0.00 C ATOM 165 C ILE A 15 4.677 24.431 -3.610 1.00 0.00 C ATOM 166 O ILE A 15 3.824 23.594 -3.318 1.00 0.00 O ATOM 167 CB ILE A 15 3.857 26.610 -4.509 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.331 26.496 -4.483 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.415 26.017 -5.793 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.648 27.277 -5.583 1.00 0.00 C ATOM 0 H ILE A 15 5.924 27.411 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 15 3.779 25.993 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 15 4.125 27.666 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.052 25.446 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.965 26.847 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.974 26.526 -6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.497 26.145 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.174 24.955 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.568 27.150 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.897 28.334 -5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.985 26.911 -6.553 1.00 0.00 H new ATOM 182 N GLU A 16 5.819 24.122 -4.215 1.00 0.00 N ATOM 183 CA GLU A 16 6.141 22.747 -4.582 1.00 0.00 C ATOM 184 C GLU A 16 6.475 21.919 -3.344 1.00 0.00 C ATOM 185 O GLU A 16 6.056 20.767 -3.221 1.00 0.00 O ATOM 186 CB GLU A 16 7.316 22.717 -5.560 1.00 0.00 C ATOM 187 CG GLU A 16 7.195 23.729 -6.687 1.00 0.00 C ATOM 188 CD GLU A 16 7.930 23.297 -7.941 1.00 0.00 C ATOM 189 OE1 GLU A 16 9.178 23.358 -7.947 1.00 0.00 O ATOM 190 OE2 GLU A 16 7.260 22.897 -8.915 1.00 0.00 O ATOM 0 H GLU A 16 6.536 24.804 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 16 5.266 22.313 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.239 22.905 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.397 21.718 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.142 23.881 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.589 24.689 -6.352 1.00 0.00 H new ATOM 197 N THR A 17 7.234 22.514 -2.428 1.00 0.00 N ATOM 198 CA THR A 17 7.626 21.831 -1.201 1.00 0.00 C ATOM 199 C THR A 17 6.412 21.523 -0.332 1.00 0.00 C ATOM 200 O THR A 17 6.337 20.464 0.294 1.00 0.00 O ATOM 201 CB THR A 17 8.626 22.672 -0.386 1.00 0.00 C ATOM 202 OG1 THR A 17 9.906 22.669 -1.028 1.00 0.00 O ATOM 203 CG2 THR A 17 8.762 22.132 1.029 1.00 0.00 C ATOM 0 H THR A 17 7.589 23.466 -2.513 1.00 0.00 H new ATOM 0 HA THR A 17 8.104 20.897 -1.497 1.00 0.00 H new ATOM 0 HB THR A 17 8.249 23.693 -0.333 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.871 23.230 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.474 22.743 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.792 22.163 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.118 21.102 0.993 1.00 0.00 H new ATOM 211 N LEU A 18 5.464 22.453 -0.295 1.00 0.00 N ATOM 212 CA LEU A 18 4.252 22.280 0.498 1.00 0.00 C ATOM 213 C LEU A 18 3.464 21.061 0.028 1.00 0.00 C ATOM 214 O LEU A 18 2.853 20.357 0.832 1.00 0.00 O ATOM 215 CB LEU A 18 3.378 23.532 0.410 1.00 0.00 C ATOM 216 CG LEU A 18 3.790 24.702 1.304 1.00 0.00 C ATOM 217 CD1 LEU A 18 3.107 25.984 0.854 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.462 24.402 2.759 1.00 0.00 C ATOM 0 H LEU A 18 5.511 23.335 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 18 4.545 22.122 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.373 23.875 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.354 23.254 0.658 1.00 0.00 H new ATOM 0 HG LEU A 18 4.868 24.840 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.412 26.806 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.393 26.207 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.026 25.859 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.762 25.245 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.390 24.237 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.999 23.508 3.076 1.00 0.00 H new ATOM 230 N ARG A 19 3.484 20.818 -1.278 1.00 0.00 N ATOM 231 CA ARG A 19 2.771 19.683 -1.855 1.00 0.00 C ATOM 232 C ARG A 19 3.466 18.370 -1.505 1.00 0.00 C ATOM 233 O ARG A 19 2.813 17.375 -1.188 1.00 0.00 O ATOM 234 CB ARG A 19 2.676 19.832 -3.374 1.00 0.00 C ATOM 235 CG ARG A 19 1.768 20.967 -3.818 1.00 0.00 C ATOM 236 CD ARG A 19 1.752 21.108 -5.332 1.00 0.00 C ATOM 237 NE ARG A 19 1.379 22.457 -5.753 1.00 0.00 N ATOM 238 CZ ARG A 19 0.168 22.973 -5.578 1.00 0.00 C ATOM 239 NH1 ARG A 19 -0.783 22.257 -4.993 1.00 0.00 N ATOM 240 NH2 ARG A 19 -0.095 24.207 -5.987 1.00 0.00 N ATOM 0 H ARG A 19 3.985 21.391 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 19 1.765 19.666 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.675 19.998 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.311 18.898 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.755 20.786 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.105 21.901 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.737 20.864 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.051 20.389 -5.756 1.00 0.00 H new ATOM 0 HE ARG A 19 2.088 23.034 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.585 21.308 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.712 22.656 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.634 24.761 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.026 24.602 -5.852 1.00 0.00 H new ATOM 254 N LYS A 20 4.794 18.374 -1.566 1.00 0.00 N ATOM 255 CA LYS A 20 5.577 17.185 -1.255 1.00 0.00 C ATOM 256 C LYS A 20 5.290 16.698 0.161 1.00 0.00 C ATOM 257 O LYS A 20 5.199 15.496 0.410 1.00 0.00 O ATOM 258 CB LYS A 20 7.071 17.479 -1.411 1.00 0.00 C ATOM 259 CG LYS A 20 7.591 17.256 -2.821 1.00 0.00 C ATOM 260 CD LYS A 20 9.079 16.946 -2.824 1.00 0.00 C ATOM 261 CE LYS A 20 9.912 18.212 -2.939 1.00 0.00 C ATOM 262 NZ LYS A 20 10.187 18.569 -4.358 1.00 0.00 N ATOM 0 H LYS A 20 5.350 19.188 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 20 5.291 16.400 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.261 18.513 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.631 16.847 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.046 16.434 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.402 18.144 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.343 16.417 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.311 16.280 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.390 19.036 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.855 18.075 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.757 19.438 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.708 17.794 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.288 18.725 -4.857 1.00 0.00 H new ATOM 276 N THR A 21 5.146 17.641 1.088 1.00 0.00 N ATOM 277 CA THR A 21 4.868 17.307 2.480 1.00 0.00 C ATOM 278 C THR A 21 3.516 16.616 2.621 1.00 0.00 C ATOM 279 O THR A 21 3.387 15.624 3.338 1.00 0.00 O ATOM 280 CB THR A 21 4.885 18.563 3.372 1.00 0.00 C ATOM 281 OG1 THR A 21 6.091 19.303 3.154 1.00 0.00 O ATOM 282 CG2 THR A 21 4.775 18.185 4.841 1.00 0.00 C ATOM 0 H THR A 21 5.217 18.641 0.900 1.00 0.00 H new ATOM 0 HA THR A 21 5.656 16.627 2.806 1.00 0.00 H new ATOM 0 HB THR A 21 4.027 19.181 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.064 19.719 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.789 19.088 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.842 17.648 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.615 17.548 5.117 1.00 0.00 H new ATOM 290 N VAL A 22 2.511 17.146 1.931 1.00 0.00 N ATOM 291 CA VAL A 22 1.170 16.577 1.978 1.00 0.00 C ATOM 292 C VAL A 22 1.113 15.238 1.252 1.00 0.00 C ATOM 293 O VAL A 22 0.362 14.344 1.637 1.00 0.00 O ATOM 294 CB VAL A 22 0.135 17.531 1.351 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.268 16.955 1.477 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.215 18.904 2.001 1.00 0.00 C ATOM 0 H VAL A 22 2.600 17.968 1.333 1.00 0.00 H new ATOM 0 HA VAL A 22 0.928 16.426 3.030 1.00 0.00 H new ATOM 0 HB VAL A 22 0.363 17.641 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.985 17.643 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.315 15.995 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.510 16.814 2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.523 19.565 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.013 18.814 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.213 19.318 1.855 1.00 0.00 H new ATOM 306 N GLU A 23 1.916 15.107 0.200 1.00 0.00 N ATOM 307 CA GLU A 23 1.958 13.875 -0.580 1.00 0.00 C ATOM 308 C GLU A 23 2.430 12.704 0.277 1.00 0.00 C ATOM 309 O GLU A 23 1.909 11.594 0.171 1.00 0.00 O ATOM 310 CB GLU A 23 2.881 14.042 -1.789 1.00 0.00 C ATOM 311 CG GLU A 23 2.173 14.564 -3.028 1.00 0.00 C ATOM 312 CD GLU A 23 3.062 14.553 -4.256 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.654 13.493 -4.550 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.167 15.603 -4.923 1.00 0.00 O ATOM 0 H GLU A 23 2.545 15.838 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 23 0.948 13.662 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.689 14.726 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.340 13.081 -2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.288 13.957 -3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.828 15.581 -2.843 1.00 0.00 H new ATOM 321 N ASP A 24 3.419 12.962 1.126 1.00 0.00 N ATOM 322 CA ASP A 24 3.961 11.930 2.003 1.00 0.00 C ATOM 323 C ASP A 24 2.944 11.530 3.066 1.00 0.00 C ATOM 324 O ASP A 24 2.719 10.343 3.309 1.00 0.00 O ATOM 325 CB ASP A 24 5.247 12.422 2.668 1.00 0.00 C ATOM 326 CG ASP A 24 6.213 11.292 2.969 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.646 10.611 2.015 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.535 11.087 4.158 1.00 0.00 O ATOM 0 H ASP A 24 3.861 13.876 1.226 1.00 0.00 H new ATOM 0 HA ASP A 24 4.187 11.053 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.734 13.149 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.998 12.940 3.594 1.00 0.00 H new ATOM 333 N TYR A 25 2.334 12.526 3.697 1.00 0.00 N ATOM 334 CA TYR A 25 1.342 12.278 4.738 1.00 0.00 C ATOM 335 C TYR A 25 0.322 11.240 4.282 1.00 0.00 C ATOM 336 O TYR A 25 0.210 10.163 4.867 1.00 0.00 O ATOM 337 CB TYR A 25 0.631 13.579 5.114 1.00 0.00 C ATOM 338 CG TYR A 25 0.042 13.566 6.506 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.844 13.776 7.622 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.314 13.344 6.707 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.311 13.765 8.897 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.856 13.333 7.977 1.00 0.00 C ATOM 343 CZ TYR A 25 -1.039 13.544 9.069 1.00 0.00 C ATOM 344 OH TYR A 25 -1.575 13.531 10.337 1.00 0.00 O ATOM 0 H TYR A 25 2.508 13.513 3.507 1.00 0.00 H new ATOM 0 HA TYR A 25 1.861 11.889 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.337 14.405 5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.164 13.770 4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.902 13.951 7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.956 13.177 5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.948 13.929 9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.913 13.160 8.115 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.553 13.538 10.279 1.00 0.00 H new ATOM 354 N PHE A 26 -0.422 11.573 3.232 1.00 0.00 N ATOM 355 CA PHE A 26 -1.434 10.671 2.696 1.00 0.00 C ATOM 356 C PHE A 26 -0.917 9.236 2.653 1.00 0.00 C ATOM 357 O PHE A 26 -1.660 8.289 2.912 1.00 0.00 O ATOM 358 CB PHE A 26 -1.853 11.116 1.292 1.00 0.00 C ATOM 359 CG PHE A 26 -2.597 12.420 1.274 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.682 12.625 2.111 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.213 13.441 0.420 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.370 13.824 2.098 1.00 0.00 C ATOM 363 CE2 PHE A 26 -2.897 14.642 0.402 1.00 0.00 C ATOM 364 CZ PHE A 26 -3.977 14.834 1.240 1.00 0.00 C ATOM 0 H PHE A 26 -0.343 12.461 2.736 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.301 10.706 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.964 11.205 0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.479 10.343 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.994 11.838 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.370 13.297 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.213 13.971 2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.586 15.430 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.514 15.771 1.225 1.00 0.00 H new ATOM 374 N CYS A 27 0.360 9.084 2.324 1.00 0.00 N ATOM 375 CA CYS A 27 0.978 7.765 2.245 1.00 0.00 C ATOM 376 C CYS A 27 1.096 7.136 3.630 1.00 0.00 C ATOM 377 O CYS A 27 0.813 5.952 3.812 1.00 0.00 O ATOM 378 CB CYS A 27 2.360 7.863 1.598 1.00 0.00 C ATOM 379 SG CYS A 27 2.369 8.717 0.003 1.00 0.00 S ATOM 0 H CYS A 27 0.988 9.858 2.107 1.00 0.00 H new ATOM 0 HA CYS A 27 0.341 7.130 1.629 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.033 8.383 2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.758 6.857 1.462 1.00 0.00 H new ATOM 0 HG CYS A 27 2.452 10.000 0.198 1.00 0.00 H new ATOM 385 N PHE A 28 1.516 7.938 4.604 1.00 0.00 N ATOM 386 CA PHE A 28 1.675 7.460 5.972 1.00 0.00 C ATOM 387 C PHE A 28 0.347 6.951 6.527 1.00 0.00 C ATOM 388 O PHE A 28 0.260 5.828 7.026 1.00 0.00 O ATOM 389 CB PHE A 28 2.220 8.576 6.865 1.00 0.00 C ATOM 390 CG PHE A 28 2.044 8.310 8.333 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.750 7.293 8.955 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.172 9.075 9.090 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.592 7.046 10.306 1.00 0.00 C ATOM 394 CE2 PHE A 28 1.009 8.832 10.440 1.00 0.00 C ATOM 395 CZ PHE A 28 1.719 7.816 11.049 1.00 0.00 C ATOM 0 H PHE A 28 1.752 8.921 4.471 1.00 0.00 H new ATOM 0 HA PHE A 28 2.386 6.634 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.280 8.714 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.720 9.511 6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.432 6.686 8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.613 9.870 8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.150 6.252 10.780 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.327 9.436 11.019 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.592 7.624 12.104 1.00 0.00 H new ATOM 405 N CYS A 29 -0.683 7.785 6.438 1.00 0.00 N ATOM 406 CA CYS A 29 -2.006 7.422 6.932 1.00 0.00 C ATOM 407 C CYS A 29 -2.510 6.153 6.254 1.00 0.00 C ATOM 408 O CYS A 29 -3.062 5.266 6.907 1.00 0.00 O ATOM 409 CB CYS A 29 -2.993 8.567 6.696 1.00 0.00 C ATOM 410 SG CYS A 29 -2.681 10.031 7.710 1.00 0.00 S ATOM 0 H CYS A 29 -0.627 8.717 6.028 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.928 7.234 8.003 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.957 8.852 5.645 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.003 8.209 6.895 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.295 11.012 6.949 1.00 0.00 H new ATOM 416 N TYR A 30 -2.317 6.071 4.942 1.00 0.00 N ATOM 417 CA TYR A 30 -2.756 4.912 4.176 1.00 0.00 C ATOM 418 C TYR A 30 -2.009 3.655 4.612 1.00 0.00 C ATOM 419 O TYR A 30 -2.612 2.691 5.082 1.00 0.00 O ATOM 420 CB TYR A 30 -2.543 5.152 2.681 1.00 0.00 C ATOM 421 CG TYR A 30 -3.025 4.015 1.809 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.241 3.391 2.058 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.264 3.563 0.738 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.686 2.350 1.264 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.701 2.524 -0.061 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.912 1.921 0.207 1.00 0.00 C ATOM 427 OH TYR A 30 -4.351 0.885 -0.587 1.00 0.00 O ATOM 0 H TYR A 30 -1.859 6.794 4.387 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.819 4.765 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.062 6.066 2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.481 5.316 2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.849 3.725 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.314 4.032 0.526 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.634 1.876 1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.098 2.186 -0.891 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.689 0.707 -1.287 1.00 0.00 H new ATOM 437 N GLY A 31 -0.688 3.675 4.453 1.00 0.00 N ATOM 438 CA GLY A 31 0.122 2.533 4.835 1.00 0.00 C ATOM 439 C GLY A 31 0.019 2.218 6.314 1.00 0.00 C ATOM 440 O GLY A 31 0.195 1.071 6.727 1.00 0.00 O ATOM 0 H GLY A 31 -0.165 4.461 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.189 1.662 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.164 2.729 4.580 1.00 0.00 H new ATOM 444 N LYS A 32 -0.267 3.238 7.116 1.00 0.00 N ATOM 445 CA LYS A 32 -0.394 3.066 8.559 1.00 0.00 C ATOM 446 C LYS A 32 -1.666 2.299 8.905 1.00 0.00 C ATOM 447 O LYS A 32 -1.654 1.416 9.763 1.00 0.00 O ATOM 448 CB LYS A 32 -0.400 4.428 9.257 1.00 0.00 C ATOM 449 CG LYS A 32 -0.941 4.381 10.675 1.00 0.00 C ATOM 450 CD LYS A 32 -2.446 4.582 10.705 1.00 0.00 C ATOM 451 CE LYS A 32 -2.898 5.221 12.010 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.656 4.329 13.177 1.00 0.00 N ATOM 0 H LYS A 32 -0.415 4.193 6.791 1.00 0.00 H new ATOM 0 HA LYS A 32 0.463 2.490 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.616 4.821 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.999 5.125 8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.692 3.422 11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.458 5.152 11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.747 5.211 9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.945 3.621 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.368 6.162 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.960 5.459 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.023 4.779 14.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.141 3.421 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.635 4.163 13.281 1.00 0.00 H new ATOM 466 N ALA A 33 -2.759 2.640 8.233 1.00 0.00 N ATOM 467 CA ALA A 33 -4.037 1.981 8.467 1.00 0.00 C ATOM 468 C ALA A 33 -4.017 0.545 7.957 1.00 0.00 C ATOM 469 O ALA A 33 -4.780 -0.302 8.424 1.00 0.00 O ATOM 470 CB ALA A 33 -5.164 2.762 7.806 1.00 0.00 C ATOM 0 H ALA A 33 -2.785 3.370 7.521 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.211 1.954 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.113 2.257 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.202 3.769 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.986 2.820 6.732 1.00 0.00 H new ATOM 476 N LEU A 34 -3.140 0.277 6.995 1.00 0.00 N ATOM 477 CA LEU A 34 -3.020 -1.059 6.420 1.00 0.00 C ATOM 478 C LEU A 34 -2.381 -2.024 7.413 1.00 0.00 C ATOM 479 O LEU A 34 -2.644 -3.226 7.383 1.00 0.00 O ATOM 480 CB LEU A 34 -2.191 -1.009 5.135 1.00 0.00 C ATOM 481 CG LEU A 34 -2.972 -0.768 3.842 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.029 -0.380 2.714 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.776 -2.004 3.466 1.00 0.00 C ATOM 0 H LEU A 34 -2.502 0.966 6.597 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.022 -1.419 6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.445 -0.221 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.649 -1.950 5.039 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.666 0.056 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.602 -0.212 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.498 0.533 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.310 -1.182 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.325 -1.814 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.100 -2.847 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.479 -2.238 4.265 1.00 0.00 H new ATOM 495 N GLY A 35 -1.542 -1.489 8.295 1.00 0.00 N ATOM 496 CA GLY A 35 -0.880 -2.317 9.285 1.00 0.00 C ATOM 497 C GLY A 35 0.483 -2.797 8.825 1.00 0.00 C ATOM 498 O GLY A 35 0.987 -3.812 9.306 1.00 0.00 O ATOM 0 H GLY A 35 -1.309 -0.497 8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.769 -1.752 10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.508 -3.179 9.511 1.00 0.00 H new ATOM 502 N LYS A 36 1.080 -2.066 7.891 1.00 0.00 N ATOM 503 CA LYS A 36 2.392 -2.421 7.364 1.00 0.00 C ATOM 504 C LYS A 36 3.500 -1.728 8.151 1.00 0.00 C ATOM 505 O LYS A 36 3.232 -0.983 9.094 1.00 0.00 O ATOM 506 CB LYS A 36 2.491 -2.042 5.885 1.00 0.00 C ATOM 507 CG LYS A 36 1.315 -2.526 5.054 1.00 0.00 C ATOM 508 CD LYS A 36 1.746 -2.915 3.650 1.00 0.00 C ATOM 509 CE LYS A 36 1.852 -1.700 2.742 1.00 0.00 C ATOM 510 NZ LYS A 36 2.650 -1.989 1.518 1.00 0.00 N ATOM 0 H LYS A 36 0.676 -1.223 7.483 1.00 0.00 H new ATOM 0 HA LYS A 36 2.516 -3.499 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.563 -0.958 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.411 -2.456 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.851 -3.382 5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.560 -1.742 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.709 -3.424 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.030 -3.622 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.853 -1.373 2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.312 -0.877 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.492 -1.379 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.945 -2.986 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.071 -1.804 0.674 1.00 0.00 H new ATOM 524 N SER A 37 4.745 -1.978 7.758 1.00 0.00 N ATOM 525 CA SER A 37 5.893 -1.380 8.428 1.00 0.00 C ATOM 526 C SER A 37 6.559 -0.335 7.539 1.00 0.00 C ATOM 527 O SER A 37 7.715 0.034 7.749 1.00 0.00 O ATOM 528 CB SER A 37 6.907 -2.461 8.811 1.00 0.00 C ATOM 529 OG SER A 37 6.508 -3.140 9.988 1.00 0.00 O ATOM 0 H SER A 37 4.984 -2.591 6.979 1.00 0.00 H new ATOM 0 HA SER A 37 5.537 -0.887 9.333 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.009 -3.174 7.993 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.887 -2.008 8.963 1.00 0.00 H new ATOM 0 HG SER A 37 7.171 -3.826 10.210 1.00 0.00 H new ATOM 535 N THR A 38 5.819 0.142 6.542 1.00 0.00 N ATOM 536 CA THR A 38 6.335 1.144 5.618 1.00 0.00 C ATOM 537 C THR A 38 5.215 2.027 5.081 1.00 0.00 C ATOM 538 O THR A 38 4.036 1.763 5.318 1.00 0.00 O ATOM 539 CB THR A 38 7.071 0.490 4.433 1.00 0.00 C ATOM 540 OG1 THR A 38 6.164 -0.329 3.686 1.00 0.00 O ATOM 541 CG2 THR A 38 8.240 -0.353 4.920 1.00 0.00 C ATOM 0 H THR A 38 4.860 -0.150 6.354 1.00 0.00 H new ATOM 0 HA THR A 38 7.039 1.758 6.180 1.00 0.00 H new ATOM 0 HB THR A 38 7.458 1.282 3.792 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.638 -0.740 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.744 -0.804 4.065 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.943 0.279 5.464 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.872 -1.138 5.581 1.00 0.00 H new ATOM 549 N VAL A 39 5.590 3.076 4.357 1.00 0.00 N ATOM 550 CA VAL A 39 4.616 3.997 3.784 1.00 0.00 C ATOM 551 C VAL A 39 4.165 3.533 2.403 1.00 0.00 C ATOM 552 O VAL A 39 4.972 3.061 1.602 1.00 0.00 O ATOM 553 CB VAL A 39 5.188 5.423 3.672 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.022 6.170 4.987 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.651 5.377 3.258 1.00 0.00 C ATOM 0 H VAL A 39 6.562 3.309 4.153 1.00 0.00 H new ATOM 0 HA VAL A 39 3.759 4.009 4.458 1.00 0.00 H new ATOM 0 HB VAL A 39 4.632 5.960 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.432 7.175 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.963 6.233 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.552 5.638 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.040 6.392 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.223 4.823 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.740 4.882 2.291 1.00 0.00 H new ATOM 565 N VAL A 40 2.871 3.670 2.131 1.00 0.00 N ATOM 566 CA VAL A 40 2.313 3.266 0.847 1.00 0.00 C ATOM 567 C VAL A 40 1.716 4.458 0.108 1.00 0.00 C ATOM 568 O VAL A 40 0.973 5.261 0.672 1.00 0.00 O ATOM 569 CB VAL A 40 1.227 2.188 1.021 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.646 1.793 -0.328 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.793 0.974 1.742 1.00 0.00 C ATOM 0 H VAL A 40 2.190 4.058 2.783 1.00 0.00 H new ATOM 0 HA VAL A 40 3.134 2.853 0.261 1.00 0.00 H new ATOM 0 HB VAL A 40 0.423 2.602 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.120 1.030 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.203 2.668 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.438 1.397 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.012 0.222 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.616 0.557 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.157 1.272 2.725 1.00 0.00 H new ATOM 581 N PRO A 41 2.047 4.579 -1.187 1.00 0.00 N ATOM 582 CA PRO A 41 1.554 5.670 -2.032 1.00 0.00 C ATOM 583 C PRO A 41 0.062 5.548 -2.324 1.00 0.00 C ATOM 584 O PRO A 41 -0.401 4.524 -2.827 1.00 0.00 O ATOM 585 CB PRO A 41 2.366 5.515 -3.321 1.00 0.00 C ATOM 586 CG PRO A 41 2.747 4.076 -3.357 1.00 0.00 C ATOM 587 CD PRO A 41 2.929 3.658 -1.925 1.00 0.00 C ATOM 0 HA PRO A 41 1.671 6.642 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.777 5.791 -4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.246 6.158 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.974 3.480 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.665 3.930 -3.926 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.643 2.618 -1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.967 3.754 -1.607 1.00 0.00 H new ATOM 595 N VAL A 42 -0.687 6.599 -2.006 1.00 0.00 N ATOM 596 CA VAL A 42 -2.126 6.610 -2.236 1.00 0.00 C ATOM 597 C VAL A 42 -2.444 6.738 -3.722 1.00 0.00 C ATOM 598 O VAL A 42 -2.204 7.771 -4.347 1.00 0.00 O ATOM 599 CB VAL A 42 -2.807 7.764 -1.475 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.288 7.828 -1.817 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.604 7.605 0.025 1.00 0.00 C ATOM 0 H VAL A 42 -0.320 7.454 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.513 5.661 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.346 8.702 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.752 8.649 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.407 7.992 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.767 6.889 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.091 8.428 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.037 6.660 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.538 7.613 0.251 1.00 0.00 H new ATOM 611 N PRO A 43 -2.999 5.665 -4.303 1.00 0.00 N ATOM 612 CA PRO A 43 -3.364 5.632 -5.722 1.00 0.00 C ATOM 613 C PRO A 43 -4.550 6.536 -6.037 1.00 0.00 C ATOM 614 O PRO A 43 -5.683 6.071 -6.159 1.00 0.00 O ATOM 615 CB PRO A 43 -3.732 4.165 -5.960 1.00 0.00 C ATOM 616 CG PRO A 43 -4.151 3.659 -4.624 1.00 0.00 C ATOM 617 CD PRO A 43 -3.314 4.399 -3.618 1.00 0.00 C ATOM 0 HA PRO A 43 -2.556 5.992 -6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.537 4.072 -6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.883 3.602 -6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.213 3.838 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.993 2.583 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.859 4.569 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.411 3.845 -3.361 1.00 0.00 H new ATOM 625 N TYR A 44 -4.282 7.832 -6.167 1.00 0.00 N ATOM 626 CA TYR A 44 -5.328 8.802 -6.465 1.00 0.00 C ATOM 627 C TYR A 44 -6.131 8.378 -7.692 1.00 0.00 C ATOM 628 O TYR A 44 -7.360 8.332 -7.657 1.00 0.00 O ATOM 629 CB TYR A 44 -4.719 10.186 -6.695 1.00 0.00 C ATOM 630 CG TYR A 44 -3.990 10.734 -5.489 1.00 0.00 C ATOM 631 CD1 TYR A 44 -2.654 10.426 -5.262 1.00 0.00 C ATOM 632 CD2 TYR A 44 -4.636 11.557 -4.576 1.00 0.00 C ATOM 633 CE1 TYR A 44 -1.983 10.923 -4.161 1.00 0.00 C ATOM 634 CE2 TYR A 44 -3.974 12.061 -3.473 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.647 11.741 -3.269 1.00 0.00 C ATOM 636 OH TYR A 44 -1.984 12.239 -2.172 1.00 0.00 O ATOM 0 H TYR A 44 -3.349 8.234 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.001 8.846 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.027 10.134 -7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.511 10.880 -6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.131 9.787 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.675 11.808 -4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.945 10.673 -3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.492 12.702 -2.775 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.636 12.540 -1.505 1.00 0.00 H new ATOM 646 N GLU A 45 -5.425 8.069 -8.775 1.00 0.00 N ATOM 647 CA GLU A 45 -6.071 7.649 -10.013 1.00 0.00 C ATOM 648 C GLU A 45 -7.154 6.610 -9.737 1.00 0.00 C ATOM 649 O GLU A 45 -8.294 6.752 -10.177 1.00 0.00 O ATOM 650 CB GLU A 45 -5.037 7.077 -10.986 1.00 0.00 C ATOM 651 CG GLU A 45 -5.652 6.367 -12.179 1.00 0.00 C ATOM 652 CD GLU A 45 -4.678 6.213 -13.332 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.471 7.199 -14.069 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.124 5.106 -13.495 1.00 0.00 O ATOM 0 H GLU A 45 -4.407 8.102 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.538 8.525 -10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.401 7.886 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.394 6.379 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.002 5.382 -11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.525 6.924 -12.518 1.00 0.00 H new ATOM 661 N LYS A 46 -6.789 5.565 -9.002 1.00 0.00 N ATOM 662 CA LYS A 46 -7.726 4.501 -8.665 1.00 0.00 C ATOM 663 C LYS A 46 -8.781 4.998 -7.681 1.00 0.00 C ATOM 664 O LYS A 46 -9.975 4.982 -7.976 1.00 0.00 O ATOM 665 CB LYS A 46 -6.980 3.304 -8.068 1.00 0.00 C ATOM 666 CG LYS A 46 -6.035 2.630 -9.046 1.00 0.00 C ATOM 667 CD LYS A 46 -5.030 1.743 -8.328 1.00 0.00 C ATOM 668 CE LYS A 46 -4.008 1.164 -9.294 1.00 0.00 C ATOM 669 NZ LYS A 46 -2.792 0.676 -8.587 1.00 0.00 N ATOM 0 H LYS A 46 -5.849 5.433 -8.628 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.226 4.188 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.413 3.636 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.707 2.573 -7.715 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.608 2.032 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.506 3.388 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.518 2.320 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.555 0.932 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.459 0.342 -9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.725 1.924 -10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.120 0.289 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.347 1.465 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.059 -0.068 -7.911 1.00 0.00 H new ATOM 683 N MET A 47 -8.330 5.438 -6.510 1.00 0.00 N ATOM 684 CA MET A 47 -9.236 5.943 -5.484 1.00 0.00 C ATOM 685 C MET A 47 -10.316 6.828 -6.098 1.00 0.00 C ATOM 686 O MET A 47 -11.478 6.777 -5.694 1.00 0.00 O ATOM 687 CB MET A 47 -8.457 6.728 -4.428 1.00 0.00 C ATOM 688 CG MET A 47 -7.962 5.870 -3.275 1.00 0.00 C ATOM 689 SD MET A 47 -7.141 6.837 -1.992 1.00 0.00 S ATOM 690 CE MET A 47 -8.553 7.458 -1.081 1.00 0.00 C ATOM 0 H MET A 47 -7.344 5.455 -6.248 1.00 0.00 H new ATOM 0 HA MET A 47 -9.719 5.089 -5.009 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.603 7.211 -4.903 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.093 7.520 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.805 5.335 -2.838 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.271 5.119 -3.657 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.237 8.274 -0.431 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.306 7.822 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.977 6.656 -0.476 1.00 0.00 H new ATOM 700 N LEU A 48 -9.926 7.637 -7.077 1.00 0.00 N ATOM 701 CA LEU A 48 -10.860 8.534 -7.748 1.00 0.00 C ATOM 702 C LEU A 48 -12.066 7.765 -8.279 1.00 0.00 C ATOM 703 O LEU A 48 -13.210 8.184 -8.099 1.00 0.00 O ATOM 704 CB LEU A 48 -10.161 9.266 -8.895 1.00 0.00 C ATOM 705 CG LEU A 48 -9.298 10.463 -8.499 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.447 10.919 -9.674 1.00 0.00 C ATOM 707 CD2 LEU A 48 -10.168 11.605 -7.993 1.00 0.00 C ATOM 0 H LEU A 48 -8.968 7.690 -7.424 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.210 9.265 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.533 8.551 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.921 9.608 -9.598 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.633 10.155 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.839 11.772 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.797 10.104 -9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.095 11.208 -10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.536 12.449 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.859 11.912 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.733 11.273 -7.122 1.00 0.00 H new ATOM 719 N ARG A 49 -11.802 6.638 -8.931 1.00 0.00 N ATOM 720 CA ARG A 49 -12.865 5.809 -9.487 1.00 0.00 C ATOM 721 C ARG A 49 -13.514 4.956 -8.402 1.00 0.00 C ATOM 722 O ARG A 49 -14.706 4.656 -8.464 1.00 0.00 O ATOM 723 CB ARG A 49 -12.314 4.912 -10.596 1.00 0.00 C ATOM 724 CG ARG A 49 -11.247 5.580 -11.448 1.00 0.00 C ATOM 725 CD ARG A 49 -11.243 5.032 -12.866 1.00 0.00 C ATOM 726 NE ARG A 49 -12.503 5.289 -13.557 1.00 0.00 N ATOM 727 CZ ARG A 49 -12.632 5.281 -14.879 1.00 0.00 C ATOM 728 NH1 ARG A 49 -11.583 5.030 -15.649 1.00 0.00 N ATOM 729 NH2 ARG A 49 -13.813 5.524 -15.433 1.00 0.00 N ATOM 0 H ARG A 49 -10.861 6.278 -9.087 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.624 6.469 -9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.897 4.010 -10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.136 4.598 -11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.421 6.656 -11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.268 5.426 -10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.424 5.483 -13.426 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.057 3.958 -12.839 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.330 5.486 -12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.674 4.842 -15.227 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.685 5.024 -16.664 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.623 5.717 -14.844 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.911 5.518 -16.448 1.00 0.00 H new ATOM 743 N ASP A 50 -12.721 4.568 -7.409 1.00 0.00 N ATOM 744 CA ASP A 50 -13.218 3.749 -6.310 1.00 0.00 C ATOM 745 C ASP A 50 -12.735 4.291 -4.968 1.00 0.00 C ATOM 746 O ASP A 50 -11.684 3.891 -4.468 1.00 0.00 O ATOM 747 CB ASP A 50 -12.764 2.298 -6.481 1.00 0.00 C ATOM 748 CG ASP A 50 -13.742 1.312 -5.875 1.00 0.00 C ATOM 749 OD1 ASP A 50 -14.963 1.495 -6.063 1.00 0.00 O ATOM 750 OD2 ASP A 50 -13.287 0.355 -5.212 1.00 0.00 O ATOM 0 H ASP A 50 -11.732 4.808 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.307 3.785 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.643 2.080 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.787 2.169 -6.016 1.00 0.00 H new ATOM 755 N GLN A 51 -13.511 5.203 -4.390 1.00 0.00 N ATOM 756 CA GLN A 51 -13.161 5.801 -3.107 1.00 0.00 C ATOM 757 C GLN A 51 -13.489 4.855 -1.958 1.00 0.00 C ATOM 758 O GLN A 51 -12.742 4.763 -0.983 1.00 0.00 O ATOM 759 CB GLN A 51 -13.900 7.127 -2.919 1.00 0.00 C ATOM 760 CG GLN A 51 -13.580 8.159 -3.988 1.00 0.00 C ATOM 761 CD GLN A 51 -13.826 9.580 -3.520 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.625 9.817 -2.613 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.139 10.535 -4.136 1.00 0.00 N ATOM 0 H GLN A 51 -14.385 5.543 -4.790 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.087 5.989 -3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.973 6.938 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.648 7.538 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.537 8.055 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.187 7.961 -4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.487 10.294 -4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.263 11.510 -3.863 1.00 0.00 H new ATOM 772 N SER A 52 -14.611 4.152 -2.079 1.00 0.00 N ATOM 773 CA SER A 52 -15.040 3.215 -1.048 1.00 0.00 C ATOM 774 C SER A 52 -13.850 2.449 -0.479 1.00 0.00 C ATOM 775 O SER A 52 -13.615 2.454 0.729 1.00 0.00 O ATOM 776 CB SER A 52 -16.067 2.233 -1.618 1.00 0.00 C ATOM 777 OG SER A 52 -15.574 1.598 -2.785 1.00 0.00 O ATOM 0 H SER A 52 -15.239 4.214 -2.881 1.00 0.00 H new ATOM 0 HA SER A 52 -15.500 3.786 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.312 1.482 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.991 2.763 -1.851 1.00 0.00 H new ATOM 0 HG SER A 52 -16.248 0.975 -3.128 1.00 0.00 H new ATOM 783 N ALA A 53 -13.101 1.792 -1.359 1.00 0.00 N ATOM 784 CA ALA A 53 -11.933 1.024 -0.946 1.00 0.00 C ATOM 785 C ALA A 53 -11.231 1.685 0.235 1.00 0.00 C ATOM 786 O ALA A 53 -10.783 1.010 1.162 1.00 0.00 O ATOM 787 CB ALA A 53 -10.970 0.860 -2.112 1.00 0.00 C ATOM 0 H ALA A 53 -13.283 1.776 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.271 0.038 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.102 0.285 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.470 0.336 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.646 1.842 -2.457 1.00 0.00 H new ATOM 793 N VAL A 54 -11.136 3.011 0.194 1.00 0.00 N ATOM 794 CA VAL A 54 -10.487 3.764 1.261 1.00 0.00 C ATOM 795 C VAL A 54 -11.047 5.178 1.354 1.00 0.00 C ATOM 796 O VAL A 54 -11.114 5.898 0.357 1.00 0.00 O ATOM 797 CB VAL A 54 -8.964 3.838 1.049 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.266 4.260 2.333 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.429 2.502 0.556 1.00 0.00 C ATOM 0 H VAL A 54 -11.500 3.585 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.691 3.235 2.192 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.757 4.590 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.190 4.307 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.628 5.242 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.479 3.534 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.351 2.573 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.646 1.729 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.906 2.246 -0.390 1.00 0.00 H new ATOM 809 N VAL A 55 -11.448 5.573 2.558 1.00 0.00 N ATOM 810 CA VAL A 55 -12.000 6.903 2.782 1.00 0.00 C ATOM 811 C VAL A 55 -10.970 7.826 3.425 1.00 0.00 C ATOM 812 O VAL A 55 -9.944 7.371 3.930 1.00 0.00 O ATOM 813 CB VAL A 55 -13.252 6.848 3.677 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.895 8.223 3.784 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.245 5.827 3.142 1.00 0.00 C ATOM 0 H VAL A 55 -11.401 4.990 3.394 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.278 7.298 1.805 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.948 6.537 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.778 8.163 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.182 8.925 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.186 8.567 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.124 5.801 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.544 6.105 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.779 4.842 3.124 1.00 0.00 H new ATOM 825 N VAL A 56 -11.251 9.124 3.402 1.00 0.00 N ATOM 826 CA VAL A 56 -10.350 10.112 3.983 1.00 0.00 C ATOM 827 C VAL A 56 -11.115 11.125 4.828 1.00 0.00 C ATOM 828 O VAL A 56 -12.044 11.772 4.347 1.00 0.00 O ATOM 829 CB VAL A 56 -9.559 10.861 2.895 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.446 11.690 3.516 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.999 9.882 1.874 1.00 0.00 C ATOM 0 H VAL A 56 -12.096 9.517 2.987 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.652 9.567 4.618 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.239 11.539 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.899 12.211 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.875 12.418 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.765 11.035 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.443 10.429 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.334 9.177 2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.818 9.338 1.404 1.00 0.00 H new ATOM 841 N GLN A 57 -10.717 11.256 6.090 1.00 0.00 N ATOM 842 CA GLN A 57 -11.366 12.190 7.001 1.00 0.00 C ATOM 843 C GLN A 57 -10.397 13.282 7.444 1.00 0.00 C ATOM 844 O GLN A 57 -9.184 13.146 7.294 1.00 0.00 O ATOM 845 CB GLN A 57 -11.910 11.448 8.224 1.00 0.00 C ATOM 846 CG GLN A 57 -13.040 10.486 7.899 1.00 0.00 C ATOM 847 CD GLN A 57 -13.815 10.059 9.129 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.404 10.324 10.259 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.944 9.392 8.917 1.00 0.00 N ATOM 0 H GLN A 57 -9.949 10.727 6.504 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.195 12.659 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.097 10.895 8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.263 12.177 8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.721 10.958 7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.631 9.603 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.248 9.194 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.507 9.078 9.707 1.00 0.00 H new ATOM 858 N GLY A 58 -10.942 14.365 7.989 1.00 0.00 N ATOM 859 CA GLY A 58 -10.111 15.464 8.444 1.00 0.00 C ATOM 860 C GLY A 58 -9.929 16.531 7.383 1.00 0.00 C ATOM 861 O GLY A 58 -9.083 17.416 7.519 1.00 0.00 O ATOM 0 H GLY A 58 -11.944 14.501 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.559 15.911 9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.135 15.079 8.739 1.00 0.00 H new ATOM 865 N LEU A 59 -10.723 16.448 6.321 1.00 0.00 N ATOM 866 CA LEU A 59 -10.644 17.413 5.229 1.00 0.00 C ATOM 867 C LEU A 59 -11.508 18.636 5.521 1.00 0.00 C ATOM 868 O LEU A 59 -12.489 18.571 6.262 1.00 0.00 O ATOM 869 CB LEU A 59 -11.085 16.765 3.916 1.00 0.00 C ATOM 870 CG LEU A 59 -10.045 15.889 3.217 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.501 15.537 1.810 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.695 16.591 3.181 1.00 0.00 C ATOM 0 H LEU A 59 -11.429 15.723 6.193 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.607 17.736 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.969 16.158 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.387 17.555 3.228 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.938 14.964 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.748 14.913 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.445 14.994 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.638 16.451 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.967 15.953 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.788 17.531 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.362 16.792 4.199 1.00 0.00 H new ATOM 884 N PRO A 60 -11.137 19.779 4.924 1.00 0.00 N ATOM 885 CA PRO A 60 -11.867 21.038 5.102 1.00 0.00 C ATOM 886 C PRO A 60 -13.235 21.015 4.430 1.00 0.00 C ATOM 887 O PRO A 60 -13.569 20.072 3.714 1.00 0.00 O ATOM 888 CB PRO A 60 -10.959 22.072 4.432 1.00 0.00 C ATOM 889 CG PRO A 60 -10.176 21.295 3.430 1.00 0.00 C ATOM 890 CD PRO A 60 -9.979 19.929 4.028 1.00 0.00 C ATOM 0 HA PRO A 60 -12.070 21.246 6.152 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.541 22.860 3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.305 22.554 5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.709 21.233 2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.218 21.774 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.961 19.154 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.038 19.861 4.573 1.00 0.00 H new ATOM 898 N GLU A 61 -14.024 22.060 4.668 1.00 0.00 N ATOM 899 CA GLU A 61 -15.357 22.157 4.085 1.00 0.00 C ATOM 900 C GLU A 61 -15.281 22.604 2.628 1.00 0.00 C ATOM 901 O GLU A 61 -14.395 23.367 2.246 1.00 0.00 O ATOM 902 CB GLU A 61 -16.217 23.136 4.886 1.00 0.00 C ATOM 903 CG GLU A 61 -17.710 22.962 4.660 1.00 0.00 C ATOM 904 CD GLU A 61 -18.314 21.898 5.555 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.065 20.700 5.306 1.00 0.00 O ATOM 906 OE2 GLU A 61 -19.036 22.264 6.506 1.00 0.00 O ATOM 0 H GLU A 61 -13.763 22.849 5.259 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.815 21.169 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.002 23.011 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.935 24.155 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.214 23.912 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.888 22.699 3.617 1.00 0.00 H new ATOM 913 N GLY A 62 -16.220 22.122 1.818 1.00 0.00 N ATOM 914 CA GLY A 62 -16.242 22.481 0.412 1.00 0.00 C ATOM 915 C GLY A 62 -15.074 21.895 -0.355 1.00 0.00 C ATOM 916 O GLY A 62 -14.739 22.362 -1.444 1.00 0.00 O ATOM 0 H GLY A 62 -16.965 21.490 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.175 22.135 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.227 23.567 0.317 1.00 0.00 H new ATOM 920 N VAL A 63 -14.448 20.870 0.215 1.00 0.00 N ATOM 921 CA VAL A 63 -13.309 20.220 -0.422 1.00 0.00 C ATOM 922 C VAL A 63 -13.632 18.774 -0.783 1.00 0.00 C ATOM 923 O VAL A 63 -14.648 18.230 -0.353 1.00 0.00 O ATOM 924 CB VAL A 63 -12.067 20.244 0.490 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.155 19.151 1.542 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.798 20.100 -0.336 1.00 0.00 C ATOM 0 H VAL A 63 -14.711 20.472 1.117 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.094 20.780 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.033 21.205 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.269 19.184 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.044 19.305 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.215 18.179 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.930 20.119 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.822 19.154 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.731 20.923 -1.047 1.00 0.00 H new ATOM 936 N ALA A 64 -12.760 18.159 -1.573 1.00 0.00 N ATOM 937 CA ALA A 64 -12.951 16.775 -1.991 1.00 0.00 C ATOM 938 C ALA A 64 -11.614 16.057 -2.141 1.00 0.00 C ATOM 939 O ALA A 64 -10.782 16.439 -2.964 1.00 0.00 O ATOM 940 CB ALA A 64 -13.731 16.720 -3.296 1.00 0.00 C ATOM 0 H ALA A 64 -11.914 18.597 -1.937 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.523 16.264 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.866 15.681 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.706 17.187 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.181 17.253 -4.072 1.00 0.00 H new ATOM 946 N PHE A 65 -11.413 15.017 -1.339 1.00 0.00 N ATOM 947 CA PHE A 65 -10.176 14.246 -1.382 1.00 0.00 C ATOM 948 C PHE A 65 -9.653 14.136 -2.811 1.00 0.00 C ATOM 949 O PHE A 65 -10.349 13.653 -3.703 1.00 0.00 O ATOM 950 CB PHE A 65 -10.400 12.849 -0.799 1.00 0.00 C ATOM 951 CG PHE A 65 -9.243 11.916 -1.018 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.087 12.037 -0.262 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.311 10.919 -1.977 1.00 0.00 C ATOM 954 CE1 PHE A 65 -7.021 11.180 -0.461 1.00 0.00 C ATOM 955 CE2 PHE A 65 -8.248 10.059 -2.180 1.00 0.00 C ATOM 956 CZ PHE A 65 -7.102 10.189 -1.420 1.00 0.00 C ATOM 0 H PHE A 65 -12.091 14.689 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.431 14.767 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.589 12.936 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.295 12.416 -1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.019 12.809 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.205 10.812 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.125 11.285 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.313 9.286 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.271 9.517 -1.575 1.00 0.00 H new ATOM 966 N LYS A 66 -8.420 14.588 -3.020 1.00 0.00 N ATOM 967 CA LYS A 66 -7.801 14.540 -4.339 1.00 0.00 C ATOM 968 C LYS A 66 -6.322 14.906 -4.258 1.00 0.00 C ATOM 969 O LYS A 66 -5.842 15.367 -3.223 1.00 0.00 O ATOM 970 CB LYS A 66 -8.522 15.491 -5.297 1.00 0.00 C ATOM 971 CG LYS A 66 -8.409 16.953 -4.902 1.00 0.00 C ATOM 972 CD LYS A 66 -9.022 17.864 -5.953 1.00 0.00 C ATOM 973 CE LYS A 66 -10.504 18.092 -5.698 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.967 19.396 -6.247 1.00 0.00 N ATOM 0 H LYS A 66 -7.830 14.992 -2.292 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.885 13.521 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.114 15.362 -6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.576 15.216 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.908 17.112 -3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.360 17.213 -4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.501 18.821 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.885 17.425 -6.941 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.079 17.283 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.697 18.060 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.982 19.514 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.437 20.170 -5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.806 19.417 -7.274 1.00 0.00 H new ATOM 988 N HIS A 67 -5.606 14.698 -5.359 1.00 0.00 N ATOM 989 CA HIS A 67 -4.182 15.009 -5.413 1.00 0.00 C ATOM 990 C HIS A 67 -3.889 16.342 -4.732 1.00 0.00 C ATOM 991 O HIS A 67 -4.647 17.306 -4.849 1.00 0.00 O ATOM 992 CB HIS A 67 -3.702 15.048 -6.865 1.00 0.00 C ATOM 993 CG HIS A 67 -2.269 14.647 -7.033 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.223 15.542 -6.946 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.711 13.441 -7.283 1.00 0.00 C ATOM 996 CE1 HIS A 67 -0.083 14.902 -7.137 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.351 13.625 -7.344 1.00 0.00 N ATOM 0 H HIS A 67 -5.988 14.316 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.644 14.225 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.328 14.387 -7.464 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.837 16.056 -7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.237 12.506 -7.411 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.901 15.347 -7.126 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.339 12.895 -7.520 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.766 16.401 -4.003 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.349 17.611 -3.288 1.00 0.00 C ATOM 1007 C PRO A 68 -1.907 18.720 -4.235 1.00 0.00 C ATOM 1008 O PRO A 68 -1.470 19.784 -3.798 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.168 17.131 -2.439 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.631 15.949 -3.169 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.816 15.290 -3.819 1.00 0.00 C ATOM 0 HA PRO A 68 -3.164 18.042 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.412 17.910 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.488 16.863 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.105 16.252 -3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.129 15.263 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.548 14.829 -4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.234 14.504 -3.190 1.00 0.00 H new ATOM 1019 N GLU A 69 -2.026 18.465 -5.534 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.637 19.444 -6.544 1.00 0.00 C ATOM 1021 C GLU A 69 -2.842 20.261 -7.000 1.00 0.00 C ATOM 1022 O GLU A 69 -2.694 21.365 -7.523 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.997 18.745 -7.745 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.995 18.015 -8.627 1.00 0.00 C ATOM 1025 CD GLU A 69 -2.616 18.917 -9.675 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -2.341 20.134 -9.649 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -3.379 18.406 -10.523 1.00 0.00 O ATOM 0 H GLU A 69 -2.388 17.590 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.908 20.120 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.467 19.485 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.253 18.033 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.496 17.181 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.783 17.592 -8.004 1.00 0.00 H new ATOM 1034 N ASN A 70 -4.034 19.710 -6.798 1.00 0.00 N ATOM 1035 CA ASN A 70 -5.265 20.387 -7.189 1.00 0.00 C ATOM 1036 C ASN A 70 -5.706 21.380 -6.117 1.00 0.00 C ATOM 1037 O ASN A 70 -6.650 22.145 -6.314 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.376 19.366 -7.440 1.00 0.00 C ATOM 1039 CG ASN A 70 -6.309 18.769 -8.833 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -6.527 19.461 -9.827 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -6.009 17.478 -8.910 1.00 0.00 N ATOM 0 H ASN A 70 -4.174 18.797 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.070 20.936 -8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.305 18.567 -6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.345 19.845 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.952 17.021 -9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.836 16.943 -8.059 1.00 0.00 H new ATOM 1048 N TYR A 71 -5.015 21.362 -4.983 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.334 22.258 -3.879 1.00 0.00 C ATOM 1050 C TYR A 71 -4.508 23.539 -3.959 1.00 0.00 C ATOM 1051 O TYR A 71 -3.297 23.497 -4.180 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.084 21.562 -2.539 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.889 20.294 -2.358 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.224 20.235 -2.737 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.313 19.156 -1.807 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -7.963 19.078 -2.572 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.043 17.995 -1.639 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.367 17.961 -2.023 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.099 16.808 -1.858 1.00 0.00 O ATOM 0 H TYR A 71 -4.230 20.736 -4.804 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.389 22.521 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.024 21.325 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.322 22.253 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.693 21.107 -3.168 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.276 19.179 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.000 19.049 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.579 17.119 -1.209 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.055 17.016 -1.915 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.172 24.675 -3.779 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.501 25.969 -3.830 1.00 0.00 C ATOM 1071 C ASP A 72 -3.497 26.106 -2.689 1.00 0.00 C ATOM 1072 O ASP A 72 -3.634 25.462 -1.647 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.526 27.102 -3.763 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.797 26.778 -4.521 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.581 25.938 -4.034 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.008 27.365 -5.605 1.00 0.00 O ATOM 0 H ASP A 72 -6.174 24.726 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.961 26.034 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.770 27.306 -2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.085 28.012 -4.171 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.490 26.947 -2.892 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.463 27.168 -1.880 1.00 0.00 C ATOM 1083 C LEU A 73 -2.085 27.335 -0.498 1.00 0.00 C ATOM 1084 O LEU A 73 -1.643 26.719 0.471 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.632 28.404 -2.230 1.00 0.00 C ATOM 1086 CG LEU A 73 0.432 28.810 -1.210 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.136 27.580 -0.656 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.438 29.765 -1.837 1.00 0.00 C ATOM 0 H LEU A 73 -2.362 27.487 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.813 26.293 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.140 28.227 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.311 29.245 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.061 29.325 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.890 27.888 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.407 26.932 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.616 27.037 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.187 30.043 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.926 29.277 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.922 30.660 -2.184 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.116 28.171 -0.416 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.803 28.414 0.846 1.00 0.00 C ATOM 1102 C ALA A 74 -4.341 27.117 1.438 1.00 0.00 C ATOM 1103 O ALA A 74 -4.048 26.776 2.585 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.932 29.415 0.648 1.00 0.00 C ATOM 0 H ALA A 74 -3.493 28.691 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.082 28.831 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.437 29.587 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.524 30.356 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.646 29.020 -0.075 1.00 0.00 H new ATOM 1110 N THR A 75 -5.130 26.394 0.649 1.00 0.00 N ATOM 1111 CA THR A 75 -5.711 25.134 1.096 1.00 0.00 C ATOM 1112 C THR A 75 -4.630 24.164 1.559 1.00 0.00 C ATOM 1113 O THR A 75 -4.744 23.554 2.623 1.00 0.00 O ATOM 1114 CB THR A 75 -6.537 24.469 -0.021 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.545 25.373 -0.490 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.191 23.190 0.478 1.00 0.00 C ATOM 0 H THR A 75 -5.381 26.660 -0.303 1.00 0.00 H new ATOM 0 HA THR A 75 -6.368 25.368 1.933 1.00 0.00 H new ATOM 0 HB THR A 75 -5.863 24.219 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.065 24.943 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.769 22.738 -0.328 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.421 22.492 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.852 23.421 1.313 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.582 24.026 0.755 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.479 23.130 1.083 1.00 0.00 C ATOM 1126 C LEU A 76 -2.059 23.294 2.540 1.00 0.00 C ATOM 1127 O LEU A 76 -2.107 22.344 3.323 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.286 23.398 0.163 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.339 22.738 -1.214 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.237 23.281 -2.109 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.229 21.225 -1.085 1.00 0.00 C ATOM 0 H LEU A 76 -3.473 24.523 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.820 22.105 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.195 24.475 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.380 23.064 0.669 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.299 22.974 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.291 22.799 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.362 24.357 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.733 23.076 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.269 20.772 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.284 20.968 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.055 20.850 -0.481 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.648 24.505 2.899 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.223 24.796 4.263 1.00 0.00 C ATOM 1145 C LYS A 77 -2.210 24.222 5.275 1.00 0.00 C ATOM 1146 O LYS A 77 -1.812 23.590 6.254 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.090 26.307 4.466 1.00 0.00 C ATOM 1148 CG LYS A 77 0.040 26.931 3.664 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.271 28.372 3.292 1.00 0.00 C ATOM 1150 CE LYS A 77 0.966 29.093 2.777 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.719 29.756 3.877 1.00 0.00 N ATOM 0 H LYS A 77 -1.600 25.302 2.264 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.252 24.327 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.029 26.786 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.928 26.510 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.962 26.895 4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.210 26.349 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.049 28.392 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.664 28.897 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.617 28.381 2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.671 29.838 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.554 30.236 3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.107 30.454 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.023 29.042 4.569 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.496 24.444 5.032 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.539 23.947 5.923 1.00 0.00 C ATOM 1167 C TRP A 78 -4.354 22.459 6.199 1.00 0.00 C ATOM 1168 O TRP A 78 -4.133 22.053 7.340 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.919 24.198 5.314 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.041 24.023 6.293 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.631 24.998 7.045 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.704 22.799 6.626 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.621 24.453 7.827 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.688 23.106 7.587 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.566 21.474 6.205 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.524 22.136 8.133 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.396 20.512 6.747 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.366 20.846 7.702 1.00 0.00 C ATOM 0 H TRP A 78 -3.842 24.965 4.226 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.463 24.485 6.868 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.952 25.210 4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.068 23.517 4.476 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.360 26.043 7.028 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.211 24.968 8.481 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.823 21.206 5.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.271 22.392 8.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.296 19.485 6.429 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.001 20.071 8.106 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.446 21.650 5.148 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.288 20.207 5.280 1.00 0.00 C ATOM 1191 C ILE A 79 -3.165 19.864 6.253 1.00 0.00 C ATOM 1192 O ILE A 79 -3.352 19.078 7.182 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.995 19.547 3.920 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.219 19.642 3.007 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.582 18.095 4.114 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.914 19.353 1.554 1.00 0.00 C ATOM 0 H ILE A 79 -4.629 21.969 4.197 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.231 19.819 5.667 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.170 20.078 3.445 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.978 18.942 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.646 20.642 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.378 17.642 3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.684 18.051 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.387 17.550 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.828 19.439 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.178 20.069 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.516 18.343 1.460 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.998 20.459 6.033 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.843 20.218 6.891 1.00 0.00 C ATOM 1210 C LEU A 80 -1.124 20.668 8.321 1.00 0.00 C ATOM 1211 O LEU A 80 -0.676 20.038 9.279 1.00 0.00 O ATOM 1212 CB LEU A 80 0.385 20.951 6.346 1.00 0.00 C ATOM 1213 CG LEU A 80 1.123 20.260 5.198 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.143 21.202 4.577 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.798 18.988 5.689 1.00 0.00 C ATOM 0 H LEU A 80 -1.826 21.112 5.268 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.645 19.146 6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.074 21.940 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.088 21.101 7.166 1.00 0.00 H new ATOM 0 HG LEU A 80 0.396 19.989 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.659 20.694 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.634 22.085 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.868 21.503 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.318 18.509 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.514 19.235 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.046 18.307 6.087 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.870 21.760 8.457 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.212 22.293 9.771 1.00 0.00 C ATOM 1229 C GLU A 81 -3.086 21.311 10.545 1.00 0.00 C ATOM 1230 O GLU A 81 -2.769 20.937 11.674 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.933 23.634 9.630 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.007 24.836 9.716 1.00 0.00 C ATOM 1233 CD GLU A 81 -1.098 24.786 10.929 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -1.570 24.365 12.006 1.00 0.00 O ATOM 1235 OE2 GLU A 81 0.084 25.167 10.801 1.00 0.00 O ATOM 0 H GLU A 81 -2.249 22.293 7.674 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.286 22.444 10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.456 23.657 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.691 23.713 10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.399 24.887 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.603 25.748 9.751 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.190 20.899 9.930 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.111 19.961 10.561 1.00 0.00 C ATOM 1244 C ASN A 82 -4.884 18.543 10.046 1.00 0.00 C ATOM 1245 O ASN A 82 -5.829 17.775 9.872 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.559 20.384 10.301 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.887 21.732 10.914 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.823 21.857 11.703 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.114 22.750 10.551 1.00 0.00 N ATOM 0 H ASN A 82 -4.468 21.200 8.996 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.922 19.972 11.634 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.735 20.424 9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.233 19.630 10.707 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.286 23.681 10.930 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.349 22.600 9.894 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.622 18.203 9.804 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.268 16.878 9.310 1.00 0.00 C ATOM 1258 C LYS A 83 -3.323 15.847 10.432 1.00 0.00 C ATOM 1259 O LYS A 83 -3.870 14.758 10.262 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.869 16.899 8.691 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.757 17.090 9.707 1.00 0.00 C ATOM 1262 CD LYS A 83 0.612 17.057 9.050 1.00 0.00 C ATOM 1263 CE LYS A 83 1.703 17.508 10.007 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.296 16.362 10.752 1.00 0.00 N ATOM 0 H LYS A 83 -2.827 18.827 9.942 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.993 16.597 8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.704 15.964 8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.819 17.701 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.892 18.042 10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.817 16.308 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.826 16.046 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.610 17.701 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.485 18.022 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.291 18.227 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.036 16.711 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.554 15.886 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.712 15.688 10.078 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.755 16.199 11.582 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.743 15.304 12.733 1.00 0.00 C ATOM 1280 C ALA A 84 -4.093 14.618 12.910 1.00 0.00 C ATOM 1281 O ALA A 84 -4.163 13.467 13.338 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.370 16.072 13.992 1.00 0.00 C ATOM 0 H ALA A 84 -2.298 17.097 11.741 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.994 14.532 12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.365 15.393 14.844 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.379 16.510 13.871 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.099 16.864 14.164 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.163 15.333 12.576 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.497 14.776 12.707 1.00 0.00 C ATOM 1290 C GLY A 85 -6.886 13.920 11.516 1.00 0.00 C ATOM 1291 O GLY A 85 -7.640 12.957 11.657 1.00 0.00 O ATOM 0 H GLY A 85 -5.130 16.287 12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.549 14.175 13.615 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.217 15.587 12.819 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.372 14.273 10.343 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.672 13.530 9.126 1.00 0.00 C ATOM 1297 C ILE A 86 -6.451 12.035 9.325 1.00 0.00 C ATOM 1298 O ILE A 86 -5.336 11.592 9.605 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.806 14.012 7.945 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.383 15.300 7.355 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.714 12.929 6.880 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.560 15.865 6.218 1.00 0.00 C ATOM 0 H ILE A 86 -5.747 15.068 10.210 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.722 13.712 8.896 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.801 14.221 8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.395 15.106 6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.461 16.048 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.100 13.284 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.263 12.034 7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.713 12.692 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.028 16.777 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.555 16.091 6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.503 15.134 5.412 1.00 0.00 H new ATOM 1314 N SER A 87 -7.521 11.259 9.179 1.00 0.00 N ATOM 1315 CA SER A 87 -7.444 9.812 9.345 1.00 0.00 C ATOM 1316 C SER A 87 -7.894 9.095 8.076 1.00 0.00 C ATOM 1317 O SER A 87 -8.639 9.649 7.267 1.00 0.00 O ATOM 1318 CB SER A 87 -8.307 9.368 10.528 1.00 0.00 C ATOM 1319 OG SER A 87 -7.814 9.899 11.746 1.00 0.00 O ATOM 0 H SER A 87 -8.451 11.608 8.946 1.00 0.00 H new ATOM 0 HA SER A 87 -6.405 9.548 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.336 9.695 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.323 8.279 10.582 1.00 0.00 H new ATOM 0 HG SER A 87 -7.770 10.876 11.683 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.437 7.859 7.909 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.791 7.064 6.738 1.00 0.00 C ATOM 1327 C PHE A 88 -8.475 5.765 7.149 1.00 0.00 C ATOM 1328 O PHE A 88 -7.948 5.002 7.960 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.542 6.756 5.908 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.260 7.781 4.847 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.902 9.074 5.191 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.352 7.451 3.504 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.641 10.020 4.218 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.092 8.391 2.526 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.738 9.678 2.883 1.00 0.00 C ATOM 0 H PHE A 88 -6.821 7.385 8.569 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.487 7.644 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.681 6.687 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.660 5.780 5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.826 9.346 6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.630 6.447 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.362 11.024 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.165 8.120 1.483 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.537 10.415 2.120 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.653 5.518 6.585 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.409 4.311 6.892 1.00 0.00 C ATOM 1347 C ILE A 89 -10.405 3.345 5.712 1.00 0.00 C ATOM 1348 O ILE A 89 -11.036 3.600 4.687 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.866 4.640 7.266 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.908 5.738 8.332 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.582 3.390 7.758 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.024 7.132 7.759 1.00 0.00 C ATOM 0 H ILE A 89 -10.104 6.139 5.913 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.920 3.841 7.745 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.380 5.004 6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.752 5.556 8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.005 5.678 8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.611 3.639 8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.579 2.636 6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.069 2.999 8.637 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.048 7.858 8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.167 7.334 7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.941 7.210 7.175 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.692 2.234 5.867 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.608 1.228 4.815 1.00 0.00 C ATOM 1366 C ILE A 90 -10.818 0.301 4.846 1.00 0.00 C ATOM 1367 O ILE A 90 -11.003 -0.468 5.790 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.325 0.385 4.943 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.349 0.729 3.817 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.662 -1.098 4.926 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.381 1.836 4.173 1.00 0.00 C ATOM 0 H ILE A 90 -9.165 2.008 6.710 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.587 1.763 3.866 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.848 0.618 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.784 -0.165 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.915 1.023 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.745 -1.681 5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.324 -1.330 5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.159 -1.348 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.719 2.027 3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.937 2.743 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.788 1.537 5.038 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.639 0.374 3.803 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.831 -0.460 3.708 1.00 0.00 C ATOM 1385 C LYS A 91 -12.539 -1.735 2.923 1.00 0.00 C ATOM 1386 O LYS A 91 -13.190 -2.761 3.123 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.969 0.314 3.038 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.107 1.743 3.535 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.040 1.830 4.731 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.765 3.166 4.776 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.083 3.107 4.085 1.00 0.00 N ATOM 0 H LYS A 91 -11.500 1.003 3.012 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.133 -0.736 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.803 0.327 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.907 -0.214 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.126 2.130 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.485 2.374 2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.769 1.021 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.469 1.693 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.913 3.464 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.145 3.931 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.545 4.037 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.941 2.848 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.685 2.395 4.546 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.558 -1.664 2.030 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.181 -2.813 1.216 1.00 0.00 C ATOM 1407 C ARG A 92 -10.011 -2.468 0.298 1.00 0.00 C ATOM 1408 O ARG A 92 -9.956 -1.395 -0.302 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.372 -3.289 0.383 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.984 -3.839 -0.979 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.950 -2.744 -2.033 1.00 0.00 C ATOM 1412 NE ARG A 92 -13.228 -2.611 -2.728 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.766 -3.575 -3.465 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -13.141 -4.736 -3.605 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -14.934 -3.379 -4.066 1.00 0.00 N ATOM 0 H ARG A 92 -11.010 -0.823 1.852 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.872 -3.615 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.907 -4.060 0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.063 -2.458 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.005 -4.314 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.694 -4.610 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.694 -1.795 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.165 -2.962 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.734 -1.730 -2.642 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.244 -4.891 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.558 -5.474 -4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.418 -2.487 -3.961 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.347 -4.120 -4.632 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.053 -3.401 0.184 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.868 -3.218 -0.658 1.00 0.00 C ATOM 1431 C PRO A 93 -8.204 -3.243 -2.146 1.00 0.00 C ATOM 1432 O PRO A 93 -9.169 -3.882 -2.563 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.984 -4.413 -0.290 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.934 -5.451 0.199 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.053 -4.704 0.870 1.00 0.00 C ATOM 0 HA PRO A 93 -7.394 -2.251 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.419 -4.768 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.258 -4.147 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.309 -6.057 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.445 -6.130 0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.006 -5.219 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.878 -4.595 1.940 1.00 0.00 H new