USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 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 15 LYS NZ :NH3+ 167:sc= 0.619! (180deg=-1.47!) USER MOD Set 1.2: A 61 THR OG1 : rot 75:sc= 1.02 USER MOD Single : A 12 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.64) USER MOD Single : A 22 SER OG : rot -175:sc= 0.344 USER MOD Single : A 25 THR OG1 : rot -150:sc= -0.86 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 65:sc= 1.21 USER MOD Single : A 33 HIS : no HD1:sc= -2.52! K(o=-2.5!,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= -1.25! K(o=-1.3!,f=-0.071) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -99:sc= 0.392 USER MOD Single : A 43 CYS SG : rot 30:sc= -0.237 USER MOD Single : A 46 MET CE :methyl 175:sc= -1.88 (180deg=-2.01) USER MOD Single : A 62 TYR OH : rot 45:sc= 1.05 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -160:sc= -2.95 (180deg=-5.07!) USER MOD Single : A 73 ASN : amide:sc= 0.713 K(o=0.71,f=-0.25) USER MOD Single : A 77 HIS : no HD1:sc= -0.404 K(o=-0.4,f=-4.5!) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.842) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.242 -17.930 -3.666 1.00 13.32 N ATOM 149 CA GLU A 11 -6.264 -17.586 -4.645 1.00 65.31 C ATOM 150 C GLU A 11 -6.688 -18.829 -5.416 1.00 20.25 C ATOM 151 O GLU A 11 -7.868 -19.024 -5.693 1.00 41.20 O ATOM 152 CB GLU A 11 -5.723 -16.486 -5.576 1.00 22.50 C ATOM 153 CG GLU A 11 -6.479 -16.295 -6.883 1.00 73.14 C ATOM 154 CD GLU A 11 -5.851 -17.057 -8.036 1.00 74.13 C ATOM 155 OE1 GLU A 11 -4.659 -16.821 -8.335 1.00 72.41 O ATOM 156 OE2 GLU A 11 -6.545 -17.883 -8.657 1.00 42.33 O ATOM 0 HA GLU A 11 -7.151 -17.199 -4.143 1.00 65.31 H new ATOM 0 HB2 GLU A 11 -5.729 -15.541 -5.033 1.00 22.50 H new ATOM 0 HB3 GLU A 11 -4.683 -16.713 -5.809 1.00 22.50 H new ATOM 0 HG2 GLU A 11 -7.510 -16.624 -6.754 1.00 73.14 H new ATOM 0 HG3 GLU A 11 -6.511 -15.233 -7.128 1.00 73.14 H new ATOM 163 N GLN A 12 -5.715 -19.674 -5.725 1.00 54.31 N ATOM 164 CA GLN A 12 -5.969 -20.949 -6.379 1.00 12.12 C ATOM 165 C GLN A 12 -6.958 -21.811 -5.586 1.00 2.14 C ATOM 166 O GLN A 12 -7.919 -22.335 -6.142 1.00 2.05 O ATOM 167 CB GLN A 12 -4.644 -21.700 -6.563 1.00 15.04 C ATOM 168 CG GLN A 12 -4.786 -23.209 -6.520 1.00 41.33 C ATOM 169 CD GLN A 12 -3.477 -23.931 -6.714 1.00 33.04 C ATOM 170 OE1 GLN A 12 -2.406 -23.408 -6.406 1.00 62.04 O ATOM 171 NE2 GLN A 12 -3.560 -25.155 -7.198 1.00 72.23 N ATOM 0 H GLN A 12 -4.730 -19.496 -5.530 1.00 54.31 H new ATOM 0 HA GLN A 12 -6.420 -20.747 -7.351 1.00 12.12 H new ATOM 0 HB2 GLN A 12 -4.204 -21.413 -7.518 1.00 15.04 H new ATOM 0 HB3 GLN A 12 -3.948 -21.387 -5.784 1.00 15.04 H new ATOM 0 HG2 GLN A 12 -5.217 -23.500 -5.562 1.00 41.33 H new ATOM 0 HG3 GLN A 12 -5.486 -23.524 -7.293 1.00 41.33 H new ATOM 0 HE21 GLN A 12 -4.470 -25.547 -7.439 1.00 72.23 H new ATOM 0 HE22 GLN A 12 -2.714 -25.709 -7.331 1.00 72.23 H new ATOM 180 N LEU A 13 -6.729 -21.932 -4.283 1.00 65.03 N ATOM 181 CA LEU A 13 -7.508 -22.850 -3.457 1.00 3.11 C ATOM 182 C LEU A 13 -8.882 -22.276 -3.109 1.00 20.33 C ATOM 183 O LEU A 13 -9.793 -23.011 -2.719 1.00 71.42 O ATOM 184 CB LEU A 13 -6.711 -23.230 -2.196 1.00 4.15 C ATOM 185 CG LEU A 13 -7.431 -23.068 -0.854 1.00 23.32 C ATOM 186 CD1 LEU A 13 -6.949 -24.118 0.132 1.00 32.14 C ATOM 187 CD2 LEU A 13 -7.194 -21.677 -0.285 1.00 23.43 C ATOM 0 H LEU A 13 -6.014 -21.409 -3.777 1.00 65.03 H new ATOM 0 HA LEU A 13 -7.691 -23.757 -4.033 1.00 3.11 H new ATOM 0 HB2 LEU A 13 -6.398 -24.270 -2.291 1.00 4.15 H new ATOM 0 HB3 LEU A 13 -5.804 -22.625 -2.171 1.00 4.15 H new ATOM 0 HG LEU A 13 -8.500 -23.201 -1.020 1.00 23.32 H new ATOM 0 HD11 LEU A 13 -7.469 -23.991 1.082 1.00 32.14 H new ATOM 0 HD12 LEU A 13 -7.156 -25.112 -0.265 1.00 32.14 H new ATOM 0 HD13 LEU A 13 -5.876 -24.005 0.288 1.00 32.14 H new ATOM 0 HD21 LEU A 13 -7.713 -21.581 0.669 1.00 23.43 H new ATOM 0 HD22 LEU A 13 -6.126 -21.523 -0.134 1.00 23.43 H new ATOM 0 HD23 LEU A 13 -7.573 -20.929 -0.982 1.00 23.43 H new ATOM 199 N ARG A 14 -9.032 -20.966 -3.253 1.00 2.03 N ATOM 200 CA ARG A 14 -10.317 -20.320 -3.016 1.00 42.15 C ATOM 201 C ARG A 14 -11.089 -20.159 -4.321 1.00 14.23 C ATOM 202 O ARG A 14 -12.288 -19.879 -4.317 1.00 35.44 O ATOM 203 CB ARG A 14 -10.130 -18.962 -2.334 1.00 52.10 C ATOM 204 CG ARG A 14 -9.727 -19.075 -0.873 1.00 71.54 C ATOM 205 CD ARG A 14 -9.713 -17.721 -0.186 1.00 22.14 C ATOM 206 NE ARG A 14 -8.652 -16.851 -0.690 1.00 72.41 N ATOM 207 CZ ARG A 14 -8.667 -15.524 -0.579 1.00 63.45 C ATOM 208 NH1 ARG A 14 -9.704 -14.911 -0.021 1.00 54.11 N ATOM 209 NH2 ARG A 14 -7.643 -14.811 -1.024 1.00 54.24 N ATOM 0 H ARG A 14 -8.283 -20.332 -3.532 1.00 2.03 H new ATOM 0 HA ARG A 14 -10.896 -20.959 -2.349 1.00 42.15 H new ATOM 0 HB2 ARG A 14 -9.370 -18.395 -2.871 1.00 52.10 H new ATOM 0 HB3 ARG A 14 -11.059 -18.396 -2.405 1.00 52.10 H new ATOM 0 HG2 ARG A 14 -10.420 -19.738 -0.355 1.00 71.54 H new ATOM 0 HG3 ARG A 14 -8.738 -19.529 -0.803 1.00 71.54 H new ATOM 0 HD2 ARG A 14 -10.677 -17.234 -0.330 1.00 22.14 H new ATOM 0 HD3 ARG A 14 -9.584 -17.862 0.887 1.00 22.14 H new ATOM 0 HE ARG A 14 -7.854 -17.285 -1.154 1.00 72.41 H new ATOM 0 HH11 ARG A 14 -10.493 -15.457 0.325 1.00 54.11 H new ATOM 0 HH12 ARG A 14 -9.711 -13.894 0.062 1.00 54.11 H new ATOM 0 HH21 ARG A 14 -6.844 -15.278 -1.451 1.00 54.24 H new ATOM 0 HH22 ARG A 14 -7.654 -13.795 -0.939 1.00 54.24 H new ATOM 223 N LYS A 15 -10.389 -20.316 -5.433 1.00 24.23 N ATOM 224 CA LYS A 15 -11.002 -20.282 -6.737 1.00 14.33 C ATOM 225 C LYS A 15 -11.642 -21.619 -7.084 1.00 33.11 C ATOM 226 O LYS A 15 -11.026 -22.677 -6.948 1.00 23.23 O ATOM 227 CB LYS A 15 -9.940 -19.921 -7.762 1.00 24.32 C ATOM 228 CG LYS A 15 -10.382 -20.061 -9.198 1.00 22.34 C ATOM 229 CD LYS A 15 -9.322 -19.530 -10.142 1.00 45.21 C ATOM 230 CE LYS A 15 -9.410 -18.023 -10.280 1.00 42.40 C ATOM 231 NZ LYS A 15 -9.062 -17.297 -9.033 1.00 10.11 N ATOM 0 H LYS A 15 -9.381 -20.470 -5.450 1.00 24.23 H new ATOM 0 HA LYS A 15 -11.795 -19.534 -6.740 1.00 14.33 H new ATOM 0 HB2 LYS A 15 -9.623 -18.892 -7.591 1.00 24.32 H new ATOM 0 HB3 LYS A 15 -9.067 -20.554 -7.600 1.00 24.32 H new ATOM 0 HG2 LYS A 15 -10.582 -21.109 -9.421 1.00 22.34 H new ATOM 0 HG3 LYS A 15 -11.315 -19.519 -9.350 1.00 22.34 H new ATOM 0 HD2 LYS A 15 -8.334 -19.806 -9.774 1.00 45.21 H new ATOM 0 HD3 LYS A 15 -9.439 -19.994 -11.121 1.00 45.21 H new ATOM 0 HE2 LYS A 15 -8.743 -17.699 -11.079 1.00 42.40 H new ATOM 0 HE3 LYS A 15 -10.422 -17.751 -10.580 1.00 42.40 H new ATOM 0 HZ1 LYS A 15 -8.926 -16.288 -9.245 1.00 10.11 H new ATOM 0 HZ2 LYS A 15 -9.832 -17.405 -8.342 1.00 10.11 H new ATOM 0 HZ3 LYS A 15 -8.184 -17.689 -8.637 1.00 10.11 H new ATOM 245 N LEU A 16 -12.888 -21.560 -7.511 1.00 42.44 N ATOM 246 CA LEU A 16 -13.586 -22.732 -7.998 1.00 72.13 C ATOM 247 C LEU A 16 -13.440 -22.855 -9.506 1.00 30.12 C ATOM 248 O LEU A 16 -13.643 -21.888 -10.244 1.00 41.32 O ATOM 249 CB LEU A 16 -15.066 -22.662 -7.634 1.00 62.12 C ATOM 250 CG LEU A 16 -15.471 -23.413 -6.367 1.00 14.13 C ATOM 251 CD1 LEU A 16 -16.974 -23.359 -6.179 1.00 15.32 C ATOM 252 CD2 LEU A 16 -15.005 -24.855 -6.430 1.00 51.02 C ATOM 0 H LEU A 16 -13.442 -20.704 -7.530 1.00 42.44 H new ATOM 0 HA LEU A 16 -13.142 -23.608 -7.526 1.00 72.13 H new ATOM 0 HB2 LEU A 16 -15.344 -21.614 -7.518 1.00 62.12 H new ATOM 0 HB3 LEU A 16 -15.646 -23.055 -8.469 1.00 62.12 H new ATOM 0 HG LEU A 16 -14.993 -22.930 -5.515 1.00 14.13 H new ATOM 0 HD11 LEU A 16 -17.247 -23.899 -5.272 1.00 15.32 H new ATOM 0 HD12 LEU A 16 -17.293 -22.320 -6.093 1.00 15.32 H new ATOM 0 HD13 LEU A 16 -17.465 -23.819 -7.037 1.00 15.32 H new ATOM 0 HD21 LEU A 16 -15.303 -25.374 -5.519 1.00 51.02 H new ATOM 0 HD22 LEU A 16 -15.457 -25.346 -7.291 1.00 51.02 H new ATOM 0 HD23 LEU A 16 -13.920 -24.883 -6.525 1.00 51.02 H new ATOM 264 N PHE A 17 -13.074 -24.045 -9.948 1.00 72.12 N ATOM 265 CA PHE A 17 -13.009 -24.362 -11.362 1.00 73.10 C ATOM 266 C PHE A 17 -14.356 -24.903 -11.809 1.00 11.23 C ATOM 267 O PHE A 17 -14.782 -25.970 -11.364 1.00 3.02 O ATOM 268 CB PHE A 17 -11.908 -25.393 -11.626 1.00 3.40 C ATOM 269 CG PHE A 17 -11.818 -25.839 -13.060 1.00 55.14 C ATOM 270 CD1 PHE A 17 -11.835 -27.186 -13.377 1.00 13.43 C ATOM 271 CD2 PHE A 17 -11.716 -24.914 -14.087 1.00 31.45 C ATOM 272 CE1 PHE A 17 -11.753 -27.604 -14.689 1.00 11.32 C ATOM 273 CE2 PHE A 17 -11.635 -25.326 -15.404 1.00 23.04 C ATOM 274 CZ PHE A 17 -11.652 -26.673 -15.706 1.00 34.04 C ATOM 0 H PHE A 17 -12.814 -24.818 -9.336 1.00 72.12 H new ATOM 0 HA PHE A 17 -12.773 -23.460 -11.927 1.00 73.10 H new ATOM 0 HB2 PHE A 17 -10.949 -24.970 -11.327 1.00 3.40 H new ATOM 0 HB3 PHE A 17 -12.082 -26.265 -10.995 1.00 3.40 H new ATOM 0 HD1 PHE A 17 -11.913 -27.919 -12.588 1.00 13.43 H new ATOM 0 HD2 PHE A 17 -11.700 -23.859 -13.856 1.00 31.45 H new ATOM 0 HE1 PHE A 17 -11.768 -28.659 -14.922 1.00 11.32 H new ATOM 0 HE2 PHE A 17 -11.559 -24.595 -16.196 1.00 23.04 H new ATOM 0 HZ PHE A 17 -11.587 -26.998 -16.734 1.00 34.04 H new ATOM 284 N ILE A 18 -15.033 -24.154 -12.661 1.00 72.13 N ATOM 285 CA ILE A 18 -16.366 -24.519 -13.099 1.00 73.54 C ATOM 286 C ILE A 18 -16.338 -24.969 -14.549 1.00 62.54 C ATOM 287 O ILE A 18 -16.346 -24.144 -15.459 1.00 73.04 O ATOM 288 CB ILE A 18 -17.349 -23.335 -12.963 1.00 1.54 C ATOM 289 CG1 ILE A 18 -17.183 -22.647 -11.604 1.00 34.41 C ATOM 290 CG2 ILE A 18 -18.783 -23.807 -13.147 1.00 2.44 C ATOM 291 CD1 ILE A 18 -17.322 -23.579 -10.422 1.00 43.44 C ATOM 0 H ILE A 18 -14.679 -23.286 -13.064 1.00 72.13 H new ATOM 0 HA ILE A 18 -16.707 -25.334 -12.461 1.00 73.54 H new ATOM 0 HB ILE A 18 -17.120 -22.611 -13.745 1.00 1.54 H new ATOM 0 HG12 ILE A 18 -16.203 -22.172 -11.566 1.00 34.41 H new ATOM 0 HG13 ILE A 18 -17.925 -21.853 -11.517 1.00 34.41 H new ATOM 0 HG21 ILE A 18 -19.461 -22.959 -13.048 1.00 2.44 H new ATOM 0 HG22 ILE A 18 -18.897 -24.248 -14.137 1.00 2.44 H new ATOM 0 HG23 ILE A 18 -19.021 -24.552 -12.388 1.00 2.44 H new ATOM 0 HD11 ILE A 18 -17.192 -23.016 -9.498 1.00 43.44 H new ATOM 0 HD12 ILE A 18 -18.312 -24.035 -10.433 1.00 43.44 H new ATOM 0 HD13 ILE A 18 -16.563 -24.359 -10.482 1.00 43.44 H new ATOM 303 N GLY A 19 -16.288 -26.271 -14.764 1.00 65.30 N ATOM 304 CA GLY A 19 -16.227 -26.786 -16.115 1.00 71.34 C ATOM 305 C GLY A 19 -17.522 -27.444 -16.530 1.00 4.32 C ATOM 306 O GLY A 19 -18.216 -28.040 -15.703 1.00 64.22 O ATOM 0 H GLY A 19 -16.288 -26.980 -14.031 1.00 65.30 H new ATOM 0 HA2 GLY A 19 -15.997 -25.972 -16.803 1.00 71.34 H new ATOM 0 HA3 GLY A 19 -15.413 -27.507 -16.191 1.00 71.34 H new ATOM 310 N GLY A 20 -17.857 -27.321 -17.806 1.00 55.43 N ATOM 311 CA GLY A 20 -19.045 -27.963 -18.325 1.00 72.25 C ATOM 312 C GLY A 20 -20.277 -27.098 -18.184 1.00 75.41 C ATOM 313 O GLY A 20 -21.378 -27.609 -17.990 1.00 62.14 O ATOM 0 H GLY A 20 -17.325 -26.786 -18.492 1.00 55.43 H new ATOM 0 HA2 GLY A 20 -18.893 -28.206 -19.377 1.00 72.25 H new ATOM 0 HA3 GLY A 20 -19.204 -28.905 -17.800 1.00 72.25 H new ATOM 317 N LEU A 21 -20.098 -25.789 -18.282 1.00 23.05 N ATOM 318 CA LEU A 21 -21.217 -24.866 -18.168 1.00 55.40 C ATOM 319 C LEU A 21 -21.729 -24.445 -19.540 1.00 63.33 C ATOM 320 O LEU A 21 -21.156 -24.804 -20.570 1.00 63.24 O ATOM 321 CB LEU A 21 -20.838 -23.646 -17.310 1.00 55.41 C ATOM 322 CG LEU A 21 -19.483 -22.994 -17.605 1.00 21.43 C ATOM 323 CD1 LEU A 21 -19.530 -22.156 -18.872 1.00 35.41 C ATOM 324 CD2 LEU A 21 -19.048 -22.142 -16.427 1.00 21.44 C ATOM 0 H LEU A 21 -19.194 -25.344 -18.439 1.00 23.05 H new ATOM 0 HA LEU A 21 -22.031 -25.387 -17.663 1.00 55.40 H new ATOM 0 HB2 LEU A 21 -21.614 -22.890 -17.432 1.00 55.41 H new ATOM 0 HB3 LEU A 21 -20.850 -23.949 -16.263 1.00 55.41 H new ATOM 0 HG LEU A 21 -18.755 -23.790 -17.761 1.00 21.43 H new ATOM 0 HD11 LEU A 21 -18.552 -21.709 -19.049 1.00 35.41 H new ATOM 0 HD12 LEU A 21 -19.798 -22.789 -19.717 1.00 35.41 H new ATOM 0 HD13 LEU A 21 -20.274 -21.367 -18.759 1.00 35.41 H new ATOM 0 HD21 LEU A 21 -18.084 -21.683 -16.646 1.00 21.44 H new ATOM 0 HD22 LEU A 21 -19.789 -21.363 -16.248 1.00 21.44 H new ATOM 0 HD23 LEU A 21 -18.958 -22.768 -15.539 1.00 21.44 H new ATOM 336 N SER A 22 -22.809 -23.679 -19.538 1.00 43.25 N ATOM 337 CA SER A 22 -23.472 -23.269 -20.762 1.00 32.04 C ATOM 338 C SER A 22 -22.665 -22.198 -21.482 1.00 20.03 C ATOM 339 O SER A 22 -21.898 -21.462 -20.865 1.00 65.24 O ATOM 340 CB SER A 22 -24.873 -22.745 -20.430 1.00 42.02 C ATOM 341 OG SER A 22 -25.530 -22.227 -21.575 1.00 31.41 O ATOM 0 H SER A 22 -23.249 -23.326 -18.688 1.00 43.25 H new ATOM 0 HA SER A 22 -23.554 -24.130 -21.425 1.00 32.04 H new ATOM 0 HB2 SER A 22 -25.470 -23.551 -20.003 1.00 42.02 H new ATOM 0 HB3 SER A 22 -24.799 -21.966 -19.671 1.00 42.02 H new ATOM 0 HG SER A 22 -26.384 -21.827 -21.309 1.00 31.41 H new ATOM 347 N PHE A 23 -22.854 -22.100 -22.788 1.00 34.33 N ATOM 348 CA PHE A 23 -22.187 -21.075 -23.574 1.00 70.01 C ATOM 349 C PHE A 23 -22.893 -19.738 -23.393 1.00 52.22 C ATOM 350 O PHE A 23 -22.469 -18.717 -23.933 1.00 41.52 O ATOM 351 CB PHE A 23 -22.142 -21.468 -25.052 1.00 11.53 C ATOM 352 CG PHE A 23 -21.428 -22.765 -25.296 1.00 53.10 C ATOM 353 CD1 PHE A 23 -22.140 -23.940 -25.456 1.00 32.21 C ATOM 354 CD2 PHE A 23 -20.045 -22.810 -25.352 1.00 65.15 C ATOM 355 CE1 PHE A 23 -21.488 -25.140 -25.668 1.00 63.33 C ATOM 356 CE2 PHE A 23 -19.386 -24.005 -25.566 1.00 61.45 C ATOM 357 CZ PHE A 23 -20.109 -25.172 -25.723 1.00 11.05 C ATOM 0 H PHE A 23 -23.463 -22.717 -23.326 1.00 34.33 H new ATOM 0 HA PHE A 23 -21.160 -20.978 -23.222 1.00 70.01 H new ATOM 0 HB2 PHE A 23 -23.161 -21.544 -25.433 1.00 11.53 H new ATOM 0 HB3 PHE A 23 -21.649 -20.677 -25.617 1.00 11.53 H new ATOM 0 HD1 PHE A 23 -23.219 -23.919 -25.415 1.00 32.21 H new ATOM 0 HD2 PHE A 23 -19.476 -21.901 -25.227 1.00 65.15 H new ATOM 0 HE1 PHE A 23 -22.056 -26.050 -25.790 1.00 63.33 H new ATOM 0 HE2 PHE A 23 -18.307 -24.027 -25.611 1.00 61.45 H new ATOM 0 HZ PHE A 23 -19.596 -26.108 -25.889 1.00 11.05 H new ATOM 367 N GLU A 24 -23.980 -19.755 -22.631 1.00 61.41 N ATOM 368 CA GLU A 24 -24.681 -18.534 -22.274 1.00 2.03 C ATOM 369 C GLU A 24 -24.230 -18.079 -20.895 1.00 60.44 C ATOM 370 O GLU A 24 -24.544 -16.972 -20.455 1.00 25.24 O ATOM 371 CB GLU A 24 -26.191 -18.758 -22.281 1.00 35.42 C ATOM 372 CG GLU A 24 -26.696 -19.420 -23.549 1.00 71.33 C ATOM 373 CD GLU A 24 -28.205 -19.384 -23.656 1.00 52.40 C ATOM 374 OE1 GLU A 24 -28.756 -18.308 -23.970 1.00 12.52 O ATOM 375 OE2 GLU A 24 -28.848 -20.430 -23.434 1.00 22.05 O ATOM 0 H GLU A 24 -24.394 -20.605 -22.249 1.00 61.41 H new ATOM 0 HA GLU A 24 -24.446 -17.764 -23.009 1.00 2.03 H new ATOM 0 HB2 GLU A 24 -26.463 -19.375 -21.425 1.00 35.42 H new ATOM 0 HB3 GLU A 24 -26.694 -17.799 -22.156 1.00 35.42 H new ATOM 0 HG2 GLU A 24 -26.261 -18.920 -24.415 1.00 71.33 H new ATOM 0 HG3 GLU A 24 -26.357 -20.456 -23.575 1.00 71.33 H new ATOM 382 N THR A 25 -23.485 -18.946 -20.223 1.00 10.34 N ATOM 383 CA THR A 25 -22.964 -18.648 -18.904 1.00 4.23 C ATOM 384 C THR A 25 -21.863 -17.595 -18.987 1.00 51.15 C ATOM 385 O THR A 25 -20.696 -17.907 -19.219 1.00 65.11 O ATOM 386 CB THR A 25 -22.420 -19.916 -18.221 1.00 64.35 C ATOM 387 OG1 THR A 25 -23.441 -20.925 -18.199 1.00 64.15 O ATOM 388 CG2 THR A 25 -21.967 -19.620 -16.798 1.00 63.24 C ATOM 0 H THR A 25 -23.229 -19.868 -20.577 1.00 10.34 H new ATOM 0 HA THR A 25 -23.787 -18.258 -18.305 1.00 4.23 H new ATOM 0 HB THR A 25 -21.560 -20.270 -18.789 1.00 64.35 H new ATOM 0 HG1 THR A 25 -23.317 -21.498 -17.414 1.00 64.15 H new ATOM 0 HG21 THR A 25 -21.588 -20.533 -16.340 1.00 63.24 H new ATOM 0 HG22 THR A 25 -21.178 -18.868 -16.816 1.00 63.24 H new ATOM 0 HG23 THR A 25 -22.811 -19.246 -16.218 1.00 63.24 H new ATOM 396 N THR A 26 -22.254 -16.343 -18.839 1.00 64.31 N ATOM 397 CA THR A 26 -21.310 -15.247 -18.868 1.00 52.04 C ATOM 398 C THR A 26 -20.850 -14.909 -17.451 1.00 72.35 C ATOM 399 O THR A 26 -21.387 -15.443 -16.481 1.00 3.13 O ATOM 400 CB THR A 26 -21.917 -14.005 -19.559 1.00 32.22 C ATOM 401 OG1 THR A 26 -20.949 -12.953 -19.648 1.00 61.20 O ATOM 402 CG2 THR A 26 -23.147 -13.510 -18.815 1.00 11.40 C ATOM 0 H THR A 26 -23.224 -16.061 -18.697 1.00 64.31 H new ATOM 0 HA THR A 26 -20.443 -15.558 -19.451 1.00 52.04 H new ATOM 0 HB THR A 26 -22.216 -14.300 -20.565 1.00 32.22 H new ATOM 0 HG1 THR A 26 -21.350 -12.176 -20.090 1.00 61.20 H new ATOM 0 HG21 THR A 26 -23.553 -12.636 -19.324 1.00 11.40 H new ATOM 0 HG22 THR A 26 -23.900 -14.298 -18.792 1.00 11.40 H new ATOM 0 HG23 THR A 26 -22.872 -13.241 -17.795 1.00 11.40 H new ATOM 410 N ASP A 27 -19.864 -14.026 -17.347 1.00 22.30 N ATOM 411 CA ASP A 27 -19.235 -13.679 -16.071 1.00 2.21 C ATOM 412 C ASP A 27 -20.266 -13.305 -15.017 1.00 53.51 C ATOM 413 O ASP A 27 -20.325 -13.910 -13.942 1.00 74.44 O ATOM 414 CB ASP A 27 -18.265 -12.517 -16.280 1.00 12.52 C ATOM 415 CG ASP A 27 -17.597 -12.073 -14.996 1.00 42.54 C ATOM 416 OD1 ASP A 27 -16.542 -12.634 -14.652 1.00 54.40 O ATOM 417 OD2 ASP A 27 -18.115 -11.144 -14.338 1.00 63.01 O ATOM 0 H ASP A 27 -19.474 -13.527 -18.146 1.00 22.30 H new ATOM 0 HA ASP A 27 -18.696 -14.556 -15.712 1.00 2.21 H new ATOM 0 HB2 ASP A 27 -17.501 -12.812 -16.999 1.00 12.52 H new ATOM 0 HB3 ASP A 27 -18.803 -11.674 -16.715 1.00 12.52 H new ATOM 422 N GLU A 28 -21.089 -12.320 -15.342 1.00 75.24 N ATOM 423 CA GLU A 28 -22.121 -11.847 -14.434 1.00 52.41 C ATOM 424 C GLU A 28 -23.095 -12.963 -14.084 1.00 60.32 C ATOM 425 O GLU A 28 -23.543 -13.070 -12.945 1.00 63.51 O ATOM 426 CB GLU A 28 -22.869 -10.678 -15.067 1.00 65.10 C ATOM 427 CG GLU A 28 -23.521 -11.026 -16.396 1.00 11.33 C ATOM 428 CD GLU A 28 -24.166 -9.838 -17.067 1.00 41.31 C ATOM 429 OE1 GLU A 28 -23.469 -9.137 -17.829 1.00 42.12 O ATOM 430 OE2 GLU A 28 -25.373 -9.609 -16.850 1.00 61.04 O ATOM 0 H GLU A 28 -21.061 -11.829 -16.236 1.00 75.24 H new ATOM 0 HA GLU A 28 -21.643 -11.514 -13.513 1.00 52.41 H new ATOM 0 HB2 GLU A 28 -23.636 -10.330 -14.375 1.00 65.10 H new ATOM 0 HB3 GLU A 28 -22.175 -9.851 -15.217 1.00 65.10 H new ATOM 0 HG2 GLU A 28 -22.770 -11.449 -17.063 1.00 11.33 H new ATOM 0 HG3 GLU A 28 -24.274 -11.797 -16.234 1.00 11.33 H new ATOM 437 N SER A 29 -23.396 -13.810 -15.059 1.00 72.35 N ATOM 438 CA SER A 29 -24.351 -14.885 -14.863 1.00 61.52 C ATOM 439 C SER A 29 -23.751 -15.944 -13.947 1.00 5.24 C ATOM 440 O SER A 29 -24.431 -16.502 -13.088 1.00 61.45 O ATOM 441 CB SER A 29 -24.738 -15.495 -16.215 1.00 14.15 C ATOM 442 OG SER A 29 -25.782 -16.444 -16.087 1.00 52.13 O ATOM 0 H SER A 29 -22.990 -13.771 -15.994 1.00 72.35 H new ATOM 0 HA SER A 29 -25.252 -14.488 -14.395 1.00 61.52 H new ATOM 0 HB2 SER A 29 -25.049 -14.702 -16.895 1.00 14.15 H new ATOM 0 HB3 SER A 29 -23.866 -15.973 -16.661 1.00 14.15 H new ATOM 0 HG SER A 29 -26.002 -16.809 -16.969 1.00 52.13 H new ATOM 448 N LEU A 30 -22.455 -16.167 -14.102 1.00 3.01 N ATOM 449 CA LEU A 30 -21.759 -17.190 -13.341 1.00 65.25 C ATOM 450 C LEU A 30 -21.729 -16.817 -11.868 1.00 4.53 C ATOM 451 O LEU A 30 -22.139 -17.597 -11.011 1.00 51.34 O ATOM 452 CB LEU A 30 -20.329 -17.372 -13.859 1.00 62.21 C ATOM 453 CG LEU A 30 -19.525 -18.476 -13.165 1.00 54.02 C ATOM 454 CD1 LEU A 30 -20.097 -19.844 -13.497 1.00 53.12 C ATOM 455 CD2 LEU A 30 -18.058 -18.400 -13.559 1.00 2.42 C ATOM 0 H LEU A 30 -21.863 -15.650 -14.752 1.00 3.01 H new ATOM 0 HA LEU A 30 -22.296 -18.131 -13.462 1.00 65.25 H new ATOM 0 HB2 LEU A 30 -20.370 -17.589 -14.926 1.00 62.21 H new ATOM 0 HB3 LEU A 30 -19.795 -16.429 -13.746 1.00 62.21 H new ATOM 0 HG LEU A 30 -19.598 -18.326 -12.088 1.00 54.02 H new ATOM 0 HD11 LEU A 30 -19.512 -20.615 -12.995 1.00 53.12 H new ATOM 0 HD12 LEU A 30 -21.132 -19.897 -13.160 1.00 53.12 H new ATOM 0 HD13 LEU A 30 -20.057 -20.003 -14.575 1.00 53.12 H new ATOM 0 HD21 LEU A 30 -17.504 -19.193 -13.055 1.00 2.42 H new ATOM 0 HD22 LEU A 30 -17.964 -18.521 -14.638 1.00 2.42 H new ATOM 0 HD23 LEU A 30 -17.652 -17.432 -13.266 1.00 2.42 H new ATOM 467 N ARG A 31 -21.269 -15.607 -11.580 1.00 41.31 N ATOM 468 CA ARG A 31 -21.129 -15.179 -10.202 1.00 74.24 C ATOM 469 C ARG A 31 -22.494 -15.119 -9.519 1.00 62.02 C ATOM 470 O ARG A 31 -22.619 -15.502 -8.367 1.00 71.12 O ATOM 471 CB ARG A 31 -20.409 -13.826 -10.100 1.00 45.30 C ATOM 472 CG ARG A 31 -21.310 -12.610 -10.229 1.00 65.14 C ATOM 473 CD ARG A 31 -20.537 -11.328 -9.990 1.00 34.41 C ATOM 474 NE ARG A 31 -21.419 -10.180 -9.802 1.00 12.23 N ATOM 475 CZ ARG A 31 -21.040 -9.043 -9.218 1.00 55.22 C ATOM 476 NH1 ARG A 31 -19.812 -8.918 -8.727 1.00 54.01 N ATOM 477 NH2 ARG A 31 -21.898 -8.040 -9.104 1.00 61.34 N ATOM 0 H ARG A 31 -20.990 -14.915 -12.275 1.00 41.31 H new ATOM 0 HA ARG A 31 -20.514 -15.916 -9.686 1.00 74.24 H new ATOM 0 HB2 ARG A 31 -19.893 -13.777 -9.141 1.00 45.30 H new ATOM 0 HB3 ARG A 31 -19.645 -13.778 -10.876 1.00 45.30 H new ATOM 0 HG2 ARG A 31 -21.757 -12.589 -11.223 1.00 65.14 H new ATOM 0 HG3 ARG A 31 -22.129 -12.683 -9.513 1.00 65.14 H new ATOM 0 HD2 ARG A 31 -19.904 -11.446 -9.110 1.00 34.41 H new ATOM 0 HD3 ARG A 31 -19.876 -11.141 -10.836 1.00 34.41 H new ATOM 0 HE ARG A 31 -22.380 -10.252 -10.136 1.00 12.23 H new ATOM 0 HH11 ARG A 31 -19.154 -9.694 -8.796 1.00 54.01 H new ATOM 0 HH12 ARG A 31 -19.527 -8.046 -8.281 1.00 54.01 H new ATOM 0 HH21 ARG A 31 -22.848 -8.138 -9.463 1.00 61.34 H new ATOM 0 HH22 ARG A 31 -21.609 -7.170 -8.657 1.00 61.34 H new ATOM 491 N SER A 32 -23.524 -14.692 -10.248 1.00 43.21 N ATOM 492 CA SER A 32 -24.859 -14.550 -9.672 1.00 31.02 C ATOM 493 C SER A 32 -25.391 -15.892 -9.174 1.00 12.21 C ATOM 494 O SER A 32 -26.043 -15.966 -8.131 1.00 61.34 O ATOM 495 CB SER A 32 -25.822 -13.950 -10.698 1.00 74.35 C ATOM 496 OG SER A 32 -25.362 -12.684 -11.150 1.00 61.35 O ATOM 0 H SER A 32 -23.460 -14.440 -11.234 1.00 43.21 H new ATOM 0 HA SER A 32 -24.785 -13.876 -8.819 1.00 31.02 H new ATOM 0 HB2 SER A 32 -25.924 -14.628 -11.546 1.00 74.35 H new ATOM 0 HB3 SER A 32 -26.812 -13.844 -10.254 1.00 74.35 H new ATOM 0 HG SER A 32 -24.522 -12.798 -11.641 1.00 61.35 H new ATOM 502 N HIS A 33 -25.084 -16.958 -9.903 1.00 34.34 N ATOM 503 CA HIS A 33 -25.538 -18.289 -9.528 1.00 55.23 C ATOM 504 C HIS A 33 -24.643 -18.898 -8.451 1.00 24.35 C ATOM 505 O HIS A 33 -24.991 -19.904 -7.842 1.00 64.33 O ATOM 506 CB HIS A 33 -25.602 -19.207 -10.754 1.00 62.53 C ATOM 507 CG HIS A 33 -26.778 -18.936 -11.648 1.00 34.42 C ATOM 508 ND1 HIS A 33 -27.968 -19.609 -11.493 1.00 2.52 N ATOM 509 CD2 HIS A 33 -26.893 -18.073 -12.685 1.00 12.31 C ATOM 510 CE1 HIS A 33 -28.774 -19.143 -12.432 1.00 13.25 C ATOM 511 NE2 HIS A 33 -28.164 -18.213 -13.177 1.00 70.43 N ATOM 0 H HIS A 33 -24.524 -16.926 -10.755 1.00 34.34 H new ATOM 0 HA HIS A 33 -26.542 -18.191 -9.115 1.00 55.23 H new ATOM 0 HB2 HIS A 33 -24.684 -19.093 -11.331 1.00 62.53 H new ATOM 0 HB3 HIS A 33 -25.642 -20.244 -10.419 1.00 62.53 H new ATOM 0 HD2 HIS A 33 -26.130 -17.403 -13.053 1.00 12.31 H new ATOM 0 HE1 HIS A 33 -29.793 -19.470 -12.579 1.00 13.25 H new ATOM 0 HE2 HIS A 33 -28.569 -17.704 -13.963 1.00 70.43 H new ATOM 519 N PHE A 34 -23.490 -18.287 -8.209 1.00 1.10 N ATOM 520 CA PHE A 34 -22.579 -18.779 -7.182 1.00 73.52 C ATOM 521 C PHE A 34 -22.577 -17.890 -5.936 1.00 23.45 C ATOM 522 O PHE A 34 -22.111 -18.311 -4.878 1.00 2.01 O ATOM 523 CB PHE A 34 -21.163 -18.928 -7.744 1.00 43.34 C ATOM 524 CG PHE A 34 -20.959 -20.198 -8.526 1.00 23.23 C ATOM 525 CD1 PHE A 34 -20.382 -21.306 -7.925 1.00 52.41 C ATOM 526 CD2 PHE A 34 -21.346 -20.288 -9.853 1.00 65.53 C ATOM 527 CE1 PHE A 34 -20.195 -22.478 -8.632 1.00 40.14 C ATOM 528 CE2 PHE A 34 -21.161 -21.458 -10.566 1.00 73.42 C ATOM 529 CZ PHE A 34 -20.585 -22.554 -9.955 1.00 75.31 C ATOM 0 H PHE A 34 -23.165 -17.457 -8.705 1.00 1.10 H new ATOM 0 HA PHE A 34 -22.940 -19.760 -6.874 1.00 73.52 H new ATOM 0 HB2 PHE A 34 -20.944 -18.075 -8.387 1.00 43.34 H new ATOM 0 HB3 PHE A 34 -20.449 -18.898 -6.921 1.00 43.34 H new ATOM 0 HD1 PHE A 34 -20.075 -21.252 -6.891 1.00 52.41 H new ATOM 0 HD2 PHE A 34 -21.798 -19.434 -10.336 1.00 65.53 H new ATOM 0 HE1 PHE A 34 -19.745 -23.334 -8.151 1.00 40.14 H new ATOM 0 HE2 PHE A 34 -21.467 -21.515 -11.600 1.00 73.42 H new ATOM 0 HZ PHE A 34 -20.440 -23.469 -10.510 1.00 75.31 H new ATOM 539 N GLU A 35 -23.124 -16.679 -6.048 1.00 75.44 N ATOM 540 CA GLU A 35 -23.220 -15.755 -4.907 1.00 44.14 C ATOM 541 C GLU A 35 -24.199 -16.276 -3.856 1.00 72.34 C ATOM 542 O GLU A 35 -24.392 -15.661 -2.808 1.00 52.03 O ATOM 543 CB GLU A 35 -23.683 -14.363 -5.359 1.00 15.53 C ATOM 544 CG GLU A 35 -22.636 -13.552 -6.100 1.00 13.21 C ATOM 545 CD GLU A 35 -23.104 -12.151 -6.427 1.00 24.53 C ATOM 546 OE1 GLU A 35 -22.666 -11.201 -5.742 1.00 5.24 O ATOM 547 OE2 GLU A 35 -23.915 -11.992 -7.360 1.00 13.41 O ATOM 0 H GLU A 35 -23.509 -16.310 -6.918 1.00 75.44 H new ATOM 0 HA GLU A 35 -22.223 -15.684 -4.473 1.00 44.14 H new ATOM 0 HB2 GLU A 35 -24.556 -14.477 -6.002 1.00 15.53 H new ATOM 0 HB3 GLU A 35 -24.004 -13.800 -4.483 1.00 15.53 H new ATOM 0 HG2 GLU A 35 -21.731 -13.496 -5.495 1.00 13.21 H new ATOM 0 HG3 GLU A 35 -22.371 -14.067 -7.024 1.00 13.21 H new ATOM 554 N GLN A 36 -24.802 -17.416 -4.138 1.00 70.24 N ATOM 555 CA GLN A 36 -25.845 -17.967 -3.292 1.00 75.23 C ATOM 556 C GLN A 36 -25.273 -18.757 -2.119 1.00 14.20 C ATOM 557 O GLN A 36 -25.958 -18.971 -1.118 1.00 43.33 O ATOM 558 CB GLN A 36 -26.761 -18.848 -4.129 1.00 40.42 C ATOM 559 CG GLN A 36 -27.785 -18.057 -4.933 1.00 35.00 C ATOM 560 CD GLN A 36 -28.375 -18.835 -6.097 1.00 34.11 C ATOM 561 OE1 GLN A 36 -29.543 -18.662 -6.444 1.00 63.33 O ATOM 562 NE2 GLN A 36 -27.563 -19.661 -6.741 1.00 45.43 N ATOM 0 H GLN A 36 -24.584 -17.984 -4.956 1.00 70.24 H new ATOM 0 HA GLN A 36 -26.413 -17.138 -2.871 1.00 75.23 H new ATOM 0 HB2 GLN A 36 -26.156 -19.445 -4.811 1.00 40.42 H new ATOM 0 HB3 GLN A 36 -27.283 -19.545 -3.473 1.00 40.42 H new ATOM 0 HG2 GLN A 36 -28.591 -17.743 -4.270 1.00 35.00 H new ATOM 0 HG3 GLN A 36 -27.314 -17.151 -5.314 1.00 35.00 H new ATOM 0 HE21 GLN A 36 -26.600 -19.780 -6.425 1.00 45.43 H new ATOM 0 HE22 GLN A 36 -27.901 -20.178 -7.553 1.00 45.43 H new ATOM 571 N TRP A 37 -24.029 -19.195 -2.243 1.00 34.40 N ATOM 572 CA TRP A 37 -23.380 -19.931 -1.164 1.00 22.15 C ATOM 573 C TRP A 37 -22.180 -19.156 -0.648 1.00 72.10 C ATOM 574 O TRP A 37 -21.367 -19.682 0.114 1.00 20.50 O ATOM 575 CB TRP A 37 -22.955 -21.332 -1.623 1.00 14.13 C ATOM 576 CG TRP A 37 -24.112 -22.194 -2.036 1.00 33.31 C ATOM 577 CD1 TRP A 37 -24.788 -23.080 -1.249 1.00 50.32 C ATOM 578 CD2 TRP A 37 -24.732 -22.251 -3.327 1.00 1.35 C ATOM 579 NE1 TRP A 37 -25.792 -23.678 -1.966 1.00 63.20 N ATOM 580 CE2 TRP A 37 -25.778 -23.189 -3.244 1.00 21.42 C ATOM 581 CE3 TRP A 37 -24.508 -21.601 -4.543 1.00 41.20 C ATOM 582 CZ2 TRP A 37 -26.597 -23.492 -4.327 1.00 64.23 C ATOM 583 CZ3 TRP A 37 -25.322 -21.904 -5.617 1.00 42.33 C ATOM 584 CH2 TRP A 37 -26.354 -22.841 -5.503 1.00 34.04 C ATOM 0 H TRP A 37 -23.451 -19.056 -3.072 1.00 34.40 H new ATOM 0 HA TRP A 37 -24.100 -20.049 -0.354 1.00 22.15 H new ATOM 0 HB2 TRP A 37 -22.263 -21.239 -2.460 1.00 14.13 H new ATOM 0 HB3 TRP A 37 -22.414 -21.824 -0.815 1.00 14.13 H new ATOM 0 HD1 TRP A 37 -24.565 -23.281 -0.212 1.00 50.32 H new ATOM 0 HE1 TRP A 37 -26.444 -24.375 -1.605 1.00 63.20 H new ATOM 0 HE3 TRP A 37 -23.714 -20.876 -4.641 1.00 41.20 H new ATOM 0 HZ2 TRP A 37 -27.395 -24.215 -4.241 1.00 64.23 H new ATOM 0 HZ3 TRP A 37 -25.158 -21.408 -6.562 1.00 42.33 H new ATOM 0 HH2 TRP A 37 -26.972 -23.054 -6.363 1.00 34.04 H new ATOM 595 N GLY A 38 -22.080 -17.899 -1.055 1.00 3.44 N ATOM 596 CA GLY A 38 -20.985 -17.072 -0.590 1.00 25.44 C ATOM 597 C GLY A 38 -20.723 -15.858 -1.461 1.00 2.41 C ATOM 598 O GLY A 38 -21.519 -15.521 -2.338 1.00 70.42 O ATOM 0 H GLY A 38 -22.730 -17.440 -1.693 1.00 3.44 H new ATOM 0 HA2 GLY A 38 -21.199 -16.740 0.426 1.00 25.44 H new ATOM 0 HA3 GLY A 38 -20.079 -17.677 -0.544 1.00 25.44 H new ATOM 602 N THR A 39 -19.598 -15.210 -1.213 1.00 31.41 N ATOM 603 CA THR A 39 -19.213 -13.994 -1.918 1.00 41.43 C ATOM 604 C THR A 39 -18.076 -14.273 -2.896 1.00 5.21 C ATOM 605 O THR A 39 -17.060 -14.835 -2.509 1.00 23.21 O ATOM 606 CB THR A 39 -18.755 -12.928 -0.903 1.00 21.21 C ATOM 607 OG1 THR A 39 -19.863 -12.513 -0.091 1.00 51.43 O ATOM 608 CG2 THR A 39 -18.133 -11.725 -1.597 1.00 54.00 C ATOM 0 H THR A 39 -18.920 -15.512 -0.513 1.00 31.41 H new ATOM 0 HA THR A 39 -20.078 -13.632 -2.475 1.00 41.43 H new ATOM 0 HB THR A 39 -17.991 -13.377 -0.268 1.00 21.21 H new ATOM 0 HG1 THR A 39 -19.562 -11.837 0.552 1.00 51.43 H new ATOM 0 HG21 THR A 39 -17.822 -10.995 -0.850 1.00 54.00 H new ATOM 0 HG22 THR A 39 -17.266 -12.046 -2.174 1.00 54.00 H new ATOM 0 HG23 THR A 39 -18.865 -11.272 -2.265 1.00 54.00 H new ATOM 616 N LEU A 40 -18.230 -13.891 -4.161 1.00 30.15 N ATOM 617 CA LEU A 40 -17.154 -14.106 -5.120 1.00 51.32 C ATOM 618 C LEU A 40 -16.232 -12.903 -5.202 1.00 72.34 C ATOM 619 O LEU A 40 -16.621 -11.827 -5.662 1.00 60.32 O ATOM 620 CB LEU A 40 -17.678 -14.451 -6.516 1.00 71.41 C ATOM 621 CG LEU A 40 -18.590 -15.671 -6.587 1.00 1.42 C ATOM 622 CD1 LEU A 40 -18.154 -16.736 -5.600 1.00 62.41 C ATOM 623 CD2 LEU A 40 -20.021 -15.290 -6.352 1.00 13.33 C ATOM 0 H LEU A 40 -19.066 -13.443 -4.537 1.00 30.15 H new ATOM 0 HA LEU A 40 -16.588 -14.961 -4.751 1.00 51.32 H new ATOM 0 HB2 LEU A 40 -18.220 -13.589 -6.906 1.00 71.41 H new ATOM 0 HB3 LEU A 40 -16.826 -14.616 -7.175 1.00 71.41 H new ATOM 0 HG LEU A 40 -18.509 -16.085 -7.592 1.00 1.42 H new ATOM 0 HD11 LEU A 40 -18.822 -17.594 -5.672 1.00 62.41 H new ATOM 0 HD12 LEU A 40 -17.135 -17.049 -5.829 1.00 62.41 H new ATOM 0 HD13 LEU A 40 -18.191 -16.332 -4.588 1.00 62.41 H new ATOM 0 HD21 LEU A 40 -20.648 -16.180 -6.408 1.00 13.33 H new ATOM 0 HD22 LEU A 40 -20.120 -14.838 -5.365 1.00 13.33 H new ATOM 0 HD23 LEU A 40 -20.337 -14.575 -7.112 1.00 13.33 H new ATOM 635 N THR A 41 -15.005 -13.106 -4.761 1.00 73.44 N ATOM 636 CA THR A 41 -13.986 -12.076 -4.799 1.00 61.44 C ATOM 637 C THR A 41 -13.286 -12.060 -6.158 1.00 21.21 C ATOM 638 O THR A 41 -12.685 -11.056 -6.552 1.00 12.11 O ATOM 639 CB THR A 41 -12.951 -12.309 -3.685 1.00 41.13 C ATOM 640 OG1 THR A 41 -12.391 -13.626 -3.807 1.00 24.25 O ATOM 641 CG2 THR A 41 -13.591 -12.154 -2.316 1.00 62.00 C ATOM 0 H THR A 41 -14.687 -13.991 -4.366 1.00 73.44 H new ATOM 0 HA THR A 41 -14.470 -11.112 -4.642 1.00 61.44 H new ATOM 0 HB THR A 41 -12.161 -11.565 -3.788 1.00 41.13 H new ATOM 0 HG1 THR A 41 -12.835 -14.230 -3.176 1.00 24.25 H new ATOM 0 HG21 THR A 41 -12.842 -12.323 -1.543 1.00 62.00 H new ATOM 0 HG22 THR A 41 -13.996 -11.147 -2.215 1.00 62.00 H new ATOM 0 HG23 THR A 41 -14.396 -12.881 -2.206 1.00 62.00 H new ATOM 649 N ASP A 42 -13.372 -13.178 -6.874 1.00 35.45 N ATOM 650 CA ASP A 42 -12.729 -13.301 -8.179 1.00 54.11 C ATOM 651 C ASP A 42 -13.508 -14.231 -9.088 1.00 52.35 C ATOM 652 O ASP A 42 -13.293 -15.443 -9.085 1.00 1.10 O ATOM 653 CB ASP A 42 -11.306 -13.827 -8.028 1.00 74.24 C ATOM 654 CG ASP A 42 -10.518 -13.787 -9.319 1.00 2.11 C ATOM 655 OD1 ASP A 42 -10.402 -12.696 -9.918 1.00 71.44 O ATOM 656 OD2 ASP A 42 -9.991 -14.847 -9.726 1.00 31.13 O ATOM 0 H ASP A 42 -13.880 -14.010 -6.573 1.00 35.45 H new ATOM 0 HA ASP A 42 -12.705 -12.307 -8.626 1.00 54.11 H new ATOM 0 HB2 ASP A 42 -10.785 -13.238 -7.273 1.00 74.24 H new ATOM 0 HB3 ASP A 42 -11.341 -14.853 -7.663 1.00 74.24 H new ATOM 661 N CYS A 43 -14.422 -13.677 -9.847 1.00 2.00 N ATOM 662 CA CYS A 43 -15.180 -14.462 -10.798 1.00 64.32 C ATOM 663 C CYS A 43 -14.769 -14.087 -12.217 1.00 12.52 C ATOM 664 O CYS A 43 -14.411 -12.936 -12.476 1.00 24.23 O ATOM 665 CB CYS A 43 -16.682 -14.254 -10.581 1.00 31.21 C ATOM 666 SG CYS A 43 -17.177 -12.519 -10.462 1.00 41.40 S ATOM 0 H CYS A 43 -14.661 -12.686 -9.827 1.00 2.00 H new ATOM 0 HA CYS A 43 -14.966 -15.520 -10.647 1.00 64.32 H new ATOM 0 HB2 CYS A 43 -17.225 -14.720 -11.403 1.00 31.21 H new ATOM 0 HB3 CYS A 43 -16.981 -14.770 -9.668 1.00 31.21 H new ATOM 0 HG CYS A 43 -16.369 -11.788 -11.171 1.00 41.40 H new ATOM 672 N VAL A 44 -14.776 -15.061 -13.119 1.00 30.35 N ATOM 673 CA VAL A 44 -14.400 -14.820 -14.508 1.00 51.21 C ATOM 674 C VAL A 44 -14.747 -16.020 -15.383 1.00 64.25 C ATOM 675 O VAL A 44 -14.553 -17.167 -14.984 1.00 33.34 O ATOM 676 CB VAL A 44 -12.890 -14.495 -14.645 1.00 23.33 C ATOM 677 CG1 VAL A 44 -12.029 -15.608 -14.060 1.00 64.12 C ATOM 678 CG2 VAL A 44 -12.520 -14.243 -16.099 1.00 74.15 C ATOM 0 H VAL A 44 -15.038 -16.025 -12.914 1.00 30.35 H new ATOM 0 HA VAL A 44 -14.970 -13.954 -14.846 1.00 51.21 H new ATOM 0 HB VAL A 44 -12.695 -13.585 -14.077 1.00 23.33 H new ATOM 0 HG11 VAL A 44 -10.976 -15.350 -14.172 1.00 64.12 H new ATOM 0 HG12 VAL A 44 -12.262 -15.731 -13.002 1.00 64.12 H new ATOM 0 HG13 VAL A 44 -12.232 -16.540 -14.587 1.00 64.12 H new ATOM 0 HG21 VAL A 44 -11.456 -14.017 -16.170 1.00 74.15 H new ATOM 0 HG22 VAL A 44 -12.743 -15.131 -16.690 1.00 74.15 H new ATOM 0 HG23 VAL A 44 -13.096 -13.400 -16.480 1.00 74.15 H new ATOM 688 N VAL A 45 -15.285 -15.754 -16.564 1.00 14.13 N ATOM 689 CA VAL A 45 -15.560 -16.811 -17.525 1.00 3.22 C ATOM 690 C VAL A 45 -14.628 -16.708 -18.716 1.00 33.13 C ATOM 691 O VAL A 45 -14.197 -15.615 -19.097 1.00 23.23 O ATOM 692 CB VAL A 45 -17.022 -16.791 -18.023 1.00 63.50 C ATOM 693 CG1 VAL A 45 -17.980 -17.006 -16.867 1.00 21.33 C ATOM 694 CG2 VAL A 45 -17.336 -15.492 -18.752 1.00 44.03 C ATOM 0 H VAL A 45 -15.539 -14.818 -16.879 1.00 14.13 H new ATOM 0 HA VAL A 45 -15.394 -17.753 -17.003 1.00 3.22 H new ATOM 0 HB VAL A 45 -17.149 -17.609 -18.732 1.00 63.50 H new ATOM 0 HG11 VAL A 45 -19.005 -16.989 -17.236 1.00 21.33 H new ATOM 0 HG12 VAL A 45 -17.778 -17.971 -16.402 1.00 21.33 H new ATOM 0 HG13 VAL A 45 -17.846 -16.213 -16.131 1.00 21.33 H new ATOM 0 HG21 VAL A 45 -18.372 -15.506 -19.091 1.00 44.03 H new ATOM 0 HG22 VAL A 45 -17.187 -14.650 -18.076 1.00 44.03 H new ATOM 0 HG23 VAL A 45 -16.674 -15.388 -19.612 1.00 44.03 H new ATOM 704 N MET A 46 -14.316 -17.854 -19.291 1.00 71.34 N ATOM 705 CA MET A 46 -13.432 -17.918 -20.436 1.00 10.41 C ATOM 706 C MET A 46 -14.240 -18.064 -21.700 1.00 74.33 C ATOM 707 O MET A 46 -15.244 -18.779 -21.733 1.00 25.44 O ATOM 708 CB MET A 46 -12.442 -19.072 -20.301 1.00 54.44 C ATOM 709 CG MET A 46 -11.321 -18.790 -19.321 1.00 24.21 C ATOM 710 SD MET A 46 -11.904 -18.548 -17.636 1.00 4.10 S ATOM 711 CE MET A 46 -10.373 -18.068 -16.861 1.00 41.31 C ATOM 0 H MET A 46 -14.666 -18.760 -18.979 1.00 71.34 H new ATOM 0 HA MET A 46 -12.861 -16.991 -20.483 1.00 10.41 H new ATOM 0 HB2 MET A 46 -12.978 -19.966 -19.981 1.00 54.44 H new ATOM 0 HB3 MET A 46 -12.014 -19.290 -21.279 1.00 54.44 H new ATOM 0 HG2 MET A 46 -10.613 -19.619 -19.339 1.00 24.21 H new ATOM 0 HG3 MET A 46 -10.779 -17.901 -19.643 1.00 24.21 H new ATOM 0 HE1 MET A 46 -10.561 -17.791 -15.824 1.00 41.31 H new ATOM 0 HE2 MET A 46 -9.672 -18.902 -16.892 1.00 41.31 H new ATOM 0 HE3 MET A 46 -9.947 -17.217 -17.392 1.00 41.31 H new ATOM 856 N ARG A 55 -16.011 -20.654 -23.509 1.00 71.21 N ATOM 857 CA ARG A 55 -15.188 -21.855 -23.610 1.00 61.30 C ATOM 858 C ARG A 55 -15.853 -23.050 -22.937 1.00 25.21 C ATOM 859 O ARG A 55 -15.321 -24.159 -22.978 1.00 22.40 O ATOM 860 CB ARG A 55 -13.816 -21.618 -22.975 1.00 73.15 C ATOM 861 CG ARG A 55 -12.753 -21.123 -23.942 1.00 24.01 C ATOM 862 CD ARG A 55 -12.407 -22.175 -24.990 1.00 34.23 C ATOM 863 NE ARG A 55 -12.050 -23.466 -24.387 1.00 21.11 N ATOM 864 CZ ARG A 55 -10.807 -23.956 -24.337 1.00 61.21 C ATOM 865 NH1 ARG A 55 -9.794 -23.278 -24.861 1.00 3.20 N ATOM 866 NH2 ARG A 55 -10.583 -25.136 -23.765 1.00 62.11 N ATOM 0 HA ARG A 55 -15.069 -22.077 -24.671 1.00 61.30 H new ATOM 0 HB2 ARG A 55 -13.923 -20.892 -22.169 1.00 73.15 H new ATOM 0 HB3 ARG A 55 -13.473 -22.548 -22.522 1.00 73.15 H new ATOM 0 HG2 ARG A 55 -13.105 -20.218 -24.438 1.00 24.01 H new ATOM 0 HG3 ARG A 55 -11.854 -20.853 -23.387 1.00 24.01 H new ATOM 0 HD2 ARG A 55 -13.257 -22.312 -25.659 1.00 34.23 H new ATOM 0 HD3 ARG A 55 -11.576 -21.819 -25.599 1.00 34.23 H new ATOM 0 HE ARG A 55 -12.799 -24.025 -23.980 1.00 21.11 H new ATOM 0 HH11 ARG A 55 -9.960 -22.376 -25.306 1.00 3.20 H new ATOM 0 HH12 ARG A 55 -8.849 -23.659 -24.818 1.00 3.20 H new ATOM 0 HH21 ARG A 55 -11.359 -25.665 -23.366 1.00 62.11 H new ATOM 0 HH22 ARG A 55 -9.636 -25.512 -23.726 1.00 62.11 H new ATOM 880 N GLY A 56 -16.997 -22.822 -22.307 1.00 72.21 N ATOM 881 CA GLY A 56 -17.698 -23.906 -21.644 1.00 60.30 C ATOM 882 C GLY A 56 -17.179 -24.151 -20.241 1.00 24.52 C ATOM 883 O GLY A 56 -17.390 -25.223 -19.667 1.00 3.44 O ATOM 0 H GLY A 56 -17.451 -21.911 -22.242 1.00 72.21 H new ATOM 0 HA2 GLY A 56 -18.762 -23.675 -21.600 1.00 60.30 H new ATOM 0 HA3 GLY A 56 -17.593 -24.818 -22.232 1.00 60.30 H new ATOM 887 N PHE A 57 -16.512 -23.147 -19.685 1.00 74.22 N ATOM 888 CA PHE A 57 -16.006 -23.207 -18.320 1.00 61.52 C ATOM 889 C PHE A 57 -15.672 -21.808 -17.822 1.00 63.23 C ATOM 890 O PHE A 57 -15.609 -20.855 -18.604 1.00 43.24 O ATOM 891 CB PHE A 57 -14.774 -24.124 -18.192 1.00 31.54 C ATOM 892 CG PHE A 57 -13.637 -23.790 -19.118 1.00 1.03 C ATOM 893 CD1 PHE A 57 -12.867 -22.651 -18.931 1.00 33.14 C ATOM 894 CD2 PHE A 57 -13.340 -24.624 -20.175 1.00 34.33 C ATOM 895 CE1 PHE A 57 -11.829 -22.351 -19.791 1.00 20.32 C ATOM 896 CE2 PHE A 57 -12.302 -24.332 -21.037 1.00 2.14 C ATOM 897 CZ PHE A 57 -11.547 -23.192 -20.847 1.00 15.44 C ATOM 0 H PHE A 57 -16.307 -22.271 -20.166 1.00 74.22 H new ATOM 0 HA PHE A 57 -16.795 -23.636 -17.702 1.00 61.52 H new ATOM 0 HB2 PHE A 57 -14.412 -24.080 -17.165 1.00 31.54 H new ATOM 0 HB3 PHE A 57 -15.084 -25.152 -18.377 1.00 31.54 H new ATOM 0 HD1 PHE A 57 -13.082 -21.991 -18.103 1.00 33.14 H new ATOM 0 HD2 PHE A 57 -13.927 -25.517 -20.331 1.00 34.33 H new ATOM 0 HE1 PHE A 57 -11.239 -21.459 -19.637 1.00 20.32 H new ATOM 0 HE2 PHE A 57 -12.081 -24.995 -21.860 1.00 2.14 H new ATOM 0 HZ PHE A 57 -10.738 -22.959 -21.523 1.00 15.44 H new ATOM 907 N GLY A 58 -15.468 -21.702 -16.524 1.00 73.12 N ATOM 908 CA GLY A 58 -15.107 -20.442 -15.919 1.00 12.51 C ATOM 909 C GLY A 58 -14.617 -20.646 -14.507 1.00 1.41 C ATOM 910 O GLY A 58 -14.549 -21.780 -14.029 1.00 41.54 O ATOM 0 H GLY A 58 -15.547 -22.479 -15.868 1.00 73.12 H new ATOM 0 HA2 GLY A 58 -14.331 -19.958 -16.512 1.00 12.51 H new ATOM 0 HA3 GLY A 58 -15.969 -19.775 -15.917 1.00 12.51 H new ATOM 914 N PHE A 59 -14.274 -19.566 -13.834 1.00 34.11 N ATOM 915 CA PHE A 59 -13.796 -19.651 -12.469 1.00 40.31 C ATOM 916 C PHE A 59 -14.598 -18.740 -11.563 1.00 15.31 C ATOM 917 O PHE A 59 -15.071 -17.681 -11.977 1.00 13.04 O ATOM 918 CB PHE A 59 -12.320 -19.289 -12.382 1.00 63.20 C ATOM 919 CG PHE A 59 -11.423 -20.249 -13.100 1.00 65.45 C ATOM 920 CD1 PHE A 59 -10.913 -21.358 -12.451 1.00 60.21 C ATOM 921 CD2 PHE A 59 -11.081 -20.034 -14.420 1.00 55.53 C ATOM 922 CE1 PHE A 59 -10.074 -22.232 -13.107 1.00 3.41 C ATOM 923 CE2 PHE A 59 -10.248 -20.907 -15.085 1.00 0.34 C ATOM 924 CZ PHE A 59 -9.742 -22.005 -14.428 1.00 12.10 C ATOM 0 H PHE A 59 -14.317 -18.619 -14.210 1.00 34.11 H new ATOM 0 HA PHE A 59 -13.923 -20.682 -12.140 1.00 40.31 H new ATOM 0 HB2 PHE A 59 -12.175 -18.291 -12.795 1.00 63.20 H new ATOM 0 HB3 PHE A 59 -12.026 -19.246 -11.333 1.00 63.20 H new ATOM 0 HD1 PHE A 59 -11.175 -21.541 -11.419 1.00 60.21 H new ATOM 0 HD2 PHE A 59 -11.471 -19.170 -14.938 1.00 55.53 H new ATOM 0 HE1 PHE A 59 -9.677 -23.093 -12.589 1.00 3.41 H new ATOM 0 HE2 PHE A 59 -9.993 -20.730 -16.119 1.00 0.34 H new ATOM 0 HZ PHE A 59 -9.085 -22.689 -14.945 1.00 12.10 H new ATOM 934 N VAL A 60 -14.734 -19.158 -10.324 1.00 11.33 N ATOM 935 CA VAL A 60 -15.514 -18.421 -9.358 1.00 71.22 C ATOM 936 C VAL A 60 -14.867 -18.521 -7.971 1.00 75.14 C ATOM 937 O VAL A 60 -14.946 -19.536 -7.286 1.00 34.51 O ATOM 938 CB VAL A 60 -16.979 -18.916 -9.379 1.00 43.12 C ATOM 939 CG1 VAL A 60 -17.116 -20.351 -8.918 1.00 65.34 C ATOM 940 CG2 VAL A 60 -17.870 -18.003 -8.585 1.00 54.41 C ATOM 0 H VAL A 60 -14.310 -20.012 -9.961 1.00 11.33 H new ATOM 0 HA VAL A 60 -15.531 -17.363 -9.620 1.00 71.22 H new ATOM 0 HB VAL A 60 -17.303 -18.891 -10.419 1.00 43.12 H new ATOM 0 HG11 VAL A 60 -18.165 -20.646 -8.953 1.00 65.34 H new ATOM 0 HG12 VAL A 60 -16.535 -21.000 -9.572 1.00 65.34 H new ATOM 0 HG13 VAL A 60 -16.747 -20.442 -7.896 1.00 65.34 H new ATOM 0 HG21 VAL A 60 -18.894 -18.375 -8.617 1.00 54.41 H new ATOM 0 HG22 VAL A 60 -17.528 -17.970 -7.550 1.00 54.41 H new ATOM 0 HG23 VAL A 60 -17.835 -17.000 -9.011 1.00 54.41 H new ATOM 950 N THR A 61 -14.161 -17.469 -7.594 1.00 34.43 N ATOM 951 CA THR A 61 -13.409 -17.462 -6.352 1.00 45.23 C ATOM 952 C THR A 61 -14.234 -16.840 -5.246 1.00 40.23 C ATOM 953 O THR A 61 -14.712 -15.719 -5.388 1.00 61.44 O ATOM 954 CB THR A 61 -12.107 -16.661 -6.504 1.00 34.51 C ATOM 955 OG1 THR A 61 -11.444 -17.042 -7.716 1.00 5.51 O ATOM 956 CG2 THR A 61 -11.175 -16.878 -5.321 1.00 21.44 C ATOM 0 H THR A 61 -14.093 -16.606 -8.133 1.00 34.43 H new ATOM 0 HA THR A 61 -13.169 -18.496 -6.103 1.00 45.23 H new ATOM 0 HB THR A 61 -12.366 -15.603 -6.539 1.00 34.51 H new ATOM 0 HG1 THR A 61 -11.914 -16.652 -8.482 1.00 5.51 H new ATOM 0 HG21 THR A 61 -10.265 -16.296 -5.463 1.00 21.44 H new ATOM 0 HG22 THR A 61 -11.670 -16.558 -4.404 1.00 21.44 H new ATOM 0 HG23 THR A 61 -10.921 -17.936 -5.247 1.00 21.44 H new ATOM 964 N TYR A 62 -14.400 -17.561 -4.160 1.00 64.22 N ATOM 965 CA TYR A 62 -15.165 -17.061 -3.034 1.00 54.42 C ATOM 966 C TYR A 62 -14.284 -16.237 -2.104 1.00 21.14 C ATOM 967 O TYR A 62 -13.081 -16.091 -2.336 1.00 75.32 O ATOM 968 CB TYR A 62 -15.813 -18.218 -2.278 1.00 25.32 C ATOM 969 CG TYR A 62 -17.022 -18.798 -2.980 1.00 72.02 C ATOM 970 CD1 TYR A 62 -18.302 -18.452 -2.574 1.00 72.11 C ATOM 971 CD2 TYR A 62 -16.890 -19.686 -4.039 1.00 11.24 C ATOM 972 CE1 TYR A 62 -19.416 -18.976 -3.196 1.00 10.22 C ATOM 973 CE2 TYR A 62 -18.002 -20.211 -4.670 1.00 11.42 C ATOM 974 CZ TYR A 62 -19.261 -19.853 -4.242 1.00 33.21 C ATOM 975 OH TYR A 62 -20.371 -20.375 -4.861 1.00 61.43 O ATOM 0 H TYR A 62 -14.016 -18.497 -4.030 1.00 64.22 H new ATOM 0 HA TYR A 62 -15.953 -16.411 -3.415 1.00 54.42 H new ATOM 0 HB2 TYR A 62 -15.074 -19.006 -2.134 1.00 25.32 H new ATOM 0 HB3 TYR A 62 -16.109 -17.873 -1.287 1.00 25.32 H new ATOM 0 HD1 TYR A 62 -18.429 -17.759 -1.755 1.00 72.11 H new ATOM 0 HD2 TYR A 62 -15.904 -19.971 -4.375 1.00 11.24 H new ATOM 0 HE1 TYR A 62 -20.405 -18.698 -2.862 1.00 10.22 H new ATOM 0 HE2 TYR A 62 -17.884 -20.899 -5.495 1.00 11.42 H new ATOM 0 HH TYR A 62 -21.019 -19.659 -5.029 1.00 61.43 H new ATOM 985 N ALA A 63 -14.890 -15.686 -1.063 1.00 54.32 N ATOM 986 CA ALA A 63 -14.170 -14.864 -0.109 1.00 24.33 C ATOM 987 C ALA A 63 -13.338 -15.746 0.799 1.00 30.40 C ATOM 988 O ALA A 63 -12.223 -15.397 1.190 1.00 14.02 O ATOM 989 CB ALA A 63 -15.137 -14.019 0.708 1.00 41.33 C ATOM 0 H ALA A 63 -15.883 -15.796 -0.859 1.00 54.32 H new ATOM 0 HA ALA A 63 -13.508 -14.190 -0.653 1.00 24.33 H new ATOM 0 HB1 ALA A 63 -14.578 -13.410 1.418 1.00 41.33 H new ATOM 0 HB2 ALA A 63 -15.706 -13.370 0.042 1.00 41.33 H new ATOM 0 HB3 ALA A 63 -15.821 -14.671 1.250 1.00 41.33 H new ATOM 995 N THR A 64 -13.886 -16.902 1.112 1.00 1.22 N ATOM 996 CA THR A 64 -13.221 -17.854 1.968 1.00 32.00 C ATOM 997 C THR A 64 -13.515 -19.271 1.491 1.00 33.24 C ATOM 998 O THR A 64 -14.521 -19.510 0.818 1.00 42.41 O ATOM 999 CB THR A 64 -13.662 -17.665 3.437 1.00 12.51 C ATOM 1000 OG1 THR A 64 -13.020 -18.621 4.289 1.00 14.41 O ATOM 1001 CG2 THR A 64 -15.169 -17.784 3.578 1.00 21.41 C ATOM 0 H THR A 64 -14.802 -17.204 0.780 1.00 1.22 H new ATOM 0 HA THR A 64 -12.145 -17.685 1.917 1.00 32.00 H new ATOM 0 HB THR A 64 -13.363 -16.662 3.741 1.00 12.51 H new ATOM 0 HG1 THR A 64 -13.312 -18.483 5.214 1.00 14.41 H new ATOM 0 HG21 THR A 64 -15.449 -17.646 4.622 1.00 21.41 H new ATOM 0 HG22 THR A 64 -15.653 -17.020 2.969 1.00 21.41 H new ATOM 0 HG23 THR A 64 -15.489 -18.771 3.244 1.00 21.41 H new ATOM 1009 N VAL A 65 -12.627 -20.200 1.826 1.00 23.51 N ATOM 1010 CA VAL A 65 -12.770 -21.595 1.421 1.00 22.41 C ATOM 1011 C VAL A 65 -14.092 -22.190 1.895 1.00 32.22 C ATOM 1012 O VAL A 65 -14.654 -23.069 1.245 1.00 42.31 O ATOM 1013 CB VAL A 65 -11.604 -22.458 1.947 1.00 75.53 C ATOM 1014 CG1 VAL A 65 -10.318 -22.112 1.220 1.00 3.31 C ATOM 1015 CG2 VAL A 65 -11.428 -22.275 3.448 1.00 21.24 C ATOM 0 H VAL A 65 -11.793 -20.010 2.382 1.00 23.51 H new ATOM 0 HA VAL A 65 -12.755 -21.602 0.331 1.00 22.41 H new ATOM 0 HB VAL A 65 -11.843 -23.504 1.756 1.00 75.53 H new ATOM 0 HG11 VAL A 65 -9.506 -22.730 1.603 1.00 3.31 H new ATOM 0 HG12 VAL A 65 -10.442 -22.297 0.153 1.00 3.31 H new ATOM 0 HG13 VAL A 65 -10.081 -21.060 1.381 1.00 3.31 H new ATOM 0 HG21 VAL A 65 -10.600 -22.893 3.795 1.00 21.24 H new ATOM 0 HG22 VAL A 65 -11.215 -21.228 3.664 1.00 21.24 H new ATOM 0 HG23 VAL A 65 -12.343 -22.572 3.961 1.00 21.24 H new ATOM 1025 N GLU A 66 -14.591 -21.682 3.016 1.00 35.45 N ATOM 1026 CA GLU A 66 -15.843 -22.155 3.599 1.00 1.14 C ATOM 1027 C GLU A 66 -17.001 -22.023 2.618 1.00 11.24 C ATOM 1028 O GLU A 66 -17.890 -22.872 2.573 1.00 63.43 O ATOM 1029 CB GLU A 66 -16.145 -21.377 4.875 1.00 32.12 C ATOM 1030 CG GLU A 66 -15.098 -21.570 5.957 1.00 31.52 C ATOM 1031 CD GLU A 66 -15.044 -22.997 6.458 1.00 13.14 C ATOM 1032 OE1 GLU A 66 -14.397 -23.842 5.803 1.00 74.03 O ATOM 1033 OE2 GLU A 66 -15.647 -23.280 7.512 1.00 55.10 O ATOM 0 H GLU A 66 -14.142 -20.934 3.545 1.00 35.45 H new ATOM 0 HA GLU A 66 -15.727 -23.213 3.836 1.00 1.14 H new ATOM 0 HB2 GLU A 66 -16.220 -20.316 4.636 1.00 32.12 H new ATOM 0 HB3 GLU A 66 -17.117 -21.687 5.260 1.00 32.12 H new ATOM 0 HG2 GLU A 66 -14.120 -21.287 5.567 1.00 31.52 H new ATOM 0 HG3 GLU A 66 -15.314 -20.903 6.791 1.00 31.52 H new ATOM 1040 N GLU A 67 -16.974 -20.968 1.820 1.00 3.25 N ATOM 1041 CA GLU A 67 -18.033 -20.717 0.857 1.00 34.35 C ATOM 1042 C GLU A 67 -17.877 -21.641 -0.346 1.00 13.21 C ATOM 1043 O GLU A 67 -18.860 -22.134 -0.901 1.00 44.32 O ATOM 1044 CB GLU A 67 -17.998 -19.262 0.409 1.00 15.43 C ATOM 1045 CG GLU A 67 -17.819 -18.278 1.545 1.00 62.23 C ATOM 1046 CD GLU A 67 -17.925 -16.840 1.086 1.00 44.43 C ATOM 1047 OE1 GLU A 67 -17.176 -16.455 0.170 1.00 34.15 O ATOM 1048 OE2 GLU A 67 -18.750 -16.087 1.640 1.00 61.01 O ATOM 0 H GLU A 67 -16.229 -20.271 1.820 1.00 3.25 H new ATOM 0 HA GLU A 67 -18.994 -20.916 1.330 1.00 34.35 H new ATOM 0 HB2 GLU A 67 -17.185 -19.131 -0.305 1.00 15.43 H new ATOM 0 HB3 GLU A 67 -18.924 -19.031 -0.117 1.00 15.43 H new ATOM 0 HG2 GLU A 67 -18.572 -18.469 2.309 1.00 62.23 H new ATOM 0 HG3 GLU A 67 -16.846 -18.437 2.010 1.00 62.23 H new ATOM 1055 N VAL A 68 -16.627 -21.877 -0.734 1.00 71.12 N ATOM 1056 CA VAL A 68 -16.319 -22.798 -1.823 1.00 22.10 C ATOM 1057 C VAL A 68 -16.848 -24.188 -1.513 1.00 42.03 C ATOM 1058 O VAL A 68 -17.576 -24.781 -2.311 1.00 52.35 O ATOM 1059 CB VAL A 68 -14.798 -22.881 -2.087 1.00 52.14 C ATOM 1060 CG1 VAL A 68 -14.453 -24.078 -2.962 1.00 3.55 C ATOM 1061 CG2 VAL A 68 -14.311 -21.611 -2.747 1.00 21.01 C ATOM 0 H VAL A 68 -15.809 -21.441 -0.309 1.00 71.12 H new ATOM 0 HA VAL A 68 -16.806 -22.411 -2.718 1.00 22.10 H new ATOM 0 HB VAL A 68 -14.300 -23.004 -1.125 1.00 52.14 H new ATOM 0 HG11 VAL A 68 -13.376 -24.108 -3.129 1.00 3.55 H new ATOM 0 HG12 VAL A 68 -14.769 -24.995 -2.465 1.00 3.55 H new ATOM 0 HG13 VAL A 68 -14.966 -23.989 -3.919 1.00 3.55 H new ATOM 0 HG21 VAL A 68 -13.238 -21.683 -2.927 1.00 21.01 H new ATOM 0 HG22 VAL A 68 -14.830 -21.472 -3.695 1.00 21.01 H new ATOM 0 HG23 VAL A 68 -14.513 -20.761 -2.095 1.00 21.01 H new ATOM 1071 N ASP A 69 -16.493 -24.695 -0.340 1.00 72.34 N ATOM 1072 CA ASP A 69 -16.930 -26.017 0.078 1.00 23.14 C ATOM 1073 C ASP A 69 -18.450 -26.081 0.153 1.00 43.03 C ATOM 1074 O ASP A 69 -19.047 -27.100 -0.177 1.00 61.31 O ATOM 1075 CB ASP A 69 -16.313 -26.400 1.425 1.00 42.11 C ATOM 1076 CG ASP A 69 -14.830 -26.707 1.324 1.00 1.53 C ATOM 1077 OD1 ASP A 69 -14.475 -27.850 0.958 1.00 12.34 O ATOM 1078 OD2 ASP A 69 -14.011 -25.812 1.611 1.00 52.00 O ATOM 0 H ASP A 69 -15.904 -24.210 0.337 1.00 72.34 H new ATOM 0 HA ASP A 69 -16.588 -26.734 -0.668 1.00 23.14 H new ATOM 0 HB2 ASP A 69 -16.464 -25.586 2.134 1.00 42.11 H new ATOM 0 HB3 ASP A 69 -16.834 -27.270 1.824 1.00 42.11 H new ATOM 1083 N ALA A 70 -19.080 -24.978 0.543 1.00 23.31 N ATOM 1084 CA ALA A 70 -20.532 -24.936 0.655 1.00 61.14 C ATOM 1085 C ALA A 70 -21.180 -25.135 -0.711 1.00 74.51 C ATOM 1086 O ALA A 70 -22.177 -25.847 -0.838 1.00 75.42 O ATOM 1087 CB ALA A 70 -20.987 -23.624 1.270 1.00 23.35 C ATOM 0 H ALA A 70 -18.610 -24.106 0.786 1.00 23.31 H new ATOM 0 HA ALA A 70 -20.846 -25.749 1.310 1.00 61.14 H new ATOM 0 HB1 ALA A 70 -22.074 -23.615 1.344 1.00 23.35 H new ATOM 0 HB2 ALA A 70 -20.555 -23.519 2.265 1.00 23.35 H new ATOM 0 HB3 ALA A 70 -20.659 -22.795 0.643 1.00 23.35 H new ATOM 1093 N ALA A 71 -20.591 -24.518 -1.730 1.00 43.14 N ATOM 1094 CA ALA A 71 -21.070 -24.669 -3.095 1.00 75.32 C ATOM 1095 C ALA A 71 -20.799 -26.080 -3.596 1.00 12.54 C ATOM 1096 O ALA A 71 -21.563 -26.631 -4.388 1.00 75.44 O ATOM 1097 CB ALA A 71 -20.407 -23.649 -4.006 1.00 73.22 C ATOM 0 H ALA A 71 -19.779 -23.908 -1.634 1.00 43.14 H new ATOM 0 HA ALA A 71 -22.146 -24.495 -3.106 1.00 75.32 H new ATOM 0 HB1 ALA A 71 -20.776 -23.776 -5.024 1.00 73.22 H new ATOM 0 HB2 ALA A 71 -20.641 -22.643 -3.657 1.00 73.22 H new ATOM 0 HB3 ALA A 71 -19.327 -23.796 -3.991 1.00 73.22 H new ATOM 1103 N MET A 72 -19.707 -26.664 -3.116 1.00 11.11 N ATOM 1104 CA MET A 72 -19.350 -28.031 -3.474 1.00 42.41 C ATOM 1105 C MET A 72 -20.363 -29.015 -2.908 1.00 70.31 C ATOM 1106 O MET A 72 -20.788 -29.942 -3.593 1.00 13.11 O ATOM 1107 CB MET A 72 -17.957 -28.388 -2.960 1.00 65.14 C ATOM 1108 CG MET A 72 -16.835 -27.553 -3.547 1.00 33.25 C ATOM 1109 SD MET A 72 -15.213 -28.186 -3.087 1.00 4.15 S ATOM 1110 CE MET A 72 -14.191 -27.364 -4.297 1.00 63.45 C ATOM 0 H MET A 72 -19.053 -26.211 -2.477 1.00 11.11 H new ATOM 0 HA MET A 72 -19.352 -28.096 -4.562 1.00 42.41 H new ATOM 0 HB2 MET A 72 -17.945 -28.278 -1.876 1.00 65.14 H new ATOM 0 HB3 MET A 72 -17.762 -29.438 -3.176 1.00 65.14 H new ATOM 0 HG2 MET A 72 -16.924 -27.538 -4.633 1.00 33.25 H new ATOM 0 HG3 MET A 72 -16.933 -26.523 -3.205 1.00 33.25 H new ATOM 0 HE1 MET A 72 -13.243 -27.894 -4.393 1.00 63.45 H new ATOM 0 HE2 MET A 72 -14.702 -27.357 -5.260 1.00 63.45 H new ATOM 0 HE3 MET A 72 -14.003 -26.339 -3.978 1.00 63.45 H new ATOM 1120 N ASN A 73 -20.746 -28.807 -1.650 1.00 25.22 N ATOM 1121 CA ASN A 73 -21.744 -29.655 -1.000 1.00 62.21 C ATOM 1122 C ASN A 73 -23.100 -29.506 -1.673 1.00 42.42 C ATOM 1123 O ASN A 73 -23.935 -30.410 -1.620 1.00 21.33 O ATOM 1124 CB ASN A 73 -21.885 -29.316 0.490 1.00 51.45 C ATOM 1125 CG ASN A 73 -20.714 -29.788 1.331 1.00 60.11 C ATOM 1126 OD1 ASN A 73 -20.664 -30.945 1.749 1.00 13.21 O ATOM 1127 ND2 ASN A 73 -19.787 -28.890 1.620 1.00 42.41 N ATOM 0 H ASN A 73 -20.381 -28.059 -1.060 1.00 25.22 H new ATOM 0 HA ASN A 73 -21.400 -30.685 -1.096 1.00 62.21 H new ATOM 0 HB2 ASN A 73 -21.990 -28.237 0.601 1.00 51.45 H new ATOM 0 HB3 ASN A 73 -22.801 -29.766 0.872 1.00 51.45 H new ATOM 0 HD21 ASN A 73 -18.995 -29.146 2.209 1.00 42.41 H new ATOM 0 HD22 ASN A 73 -19.864 -27.941 1.254 1.00 42.41 H new ATOM 1134 N ALA A 74 -23.299 -28.369 -2.323 1.00 34.14 N ATOM 1135 CA ALA A 74 -24.577 -28.043 -2.940 1.00 52.22 C ATOM 1136 C ALA A 74 -24.729 -28.684 -4.316 1.00 4.54 C ATOM 1137 O ALA A 74 -25.690 -28.405 -5.034 1.00 30.31 O ATOM 1138 CB ALA A 74 -24.729 -26.536 -3.043 1.00 24.44 C ATOM 0 H ALA A 74 -22.584 -27.650 -2.438 1.00 34.14 H new ATOM 0 HA ALA A 74 -25.365 -28.448 -2.305 1.00 52.22 H new ATOM 0 HB1 ALA A 74 -25.687 -26.298 -3.505 1.00 24.44 H new ATOM 0 HB2 ALA A 74 -24.688 -26.097 -2.046 1.00 24.44 H new ATOM 0 HB3 ALA A 74 -23.921 -26.130 -3.652 1.00 24.44 H new ATOM 1144 N ARG A 75 -23.783 -29.538 -4.686 1.00 65.34 N ATOM 1145 CA ARG A 75 -23.861 -30.247 -5.957 1.00 41.25 C ATOM 1146 C ARG A 75 -25.032 -31.231 -5.945 1.00 13.22 C ATOM 1147 O ARG A 75 -25.386 -31.766 -4.891 1.00 12.20 O ATOM 1148 CB ARG A 75 -22.550 -30.983 -6.248 1.00 54.25 C ATOM 1149 CG ARG A 75 -22.229 -32.089 -5.258 1.00 43.33 C ATOM 1150 CD ARG A 75 -20.871 -32.702 -5.543 1.00 65.33 C ATOM 1151 NE ARG A 75 -20.517 -33.729 -4.568 1.00 43.50 N ATOM 1152 CZ ARG A 75 -19.451 -33.657 -3.776 1.00 53.43 C ATOM 1153 NH1 ARG A 75 -18.673 -32.581 -3.810 1.00 31.45 N ATOM 1154 NH2 ARG A 75 -19.177 -34.653 -2.943 1.00 52.21 N ATOM 0 H ARG A 75 -22.957 -29.756 -4.128 1.00 65.34 H new ATOM 0 HA ARG A 75 -24.026 -29.516 -6.748 1.00 41.25 H new ATOM 0 HB2 ARG A 75 -22.599 -31.409 -7.250 1.00 54.25 H new ATOM 0 HB3 ARG A 75 -21.733 -30.262 -6.249 1.00 54.25 H new ATOM 0 HG2 ARG A 75 -22.245 -31.689 -4.244 1.00 43.33 H new ATOM 0 HG3 ARG A 75 -22.997 -32.861 -5.309 1.00 43.33 H new ATOM 0 HD2 ARG A 75 -20.872 -33.137 -6.543 1.00 65.33 H new ATOM 0 HD3 ARG A 75 -20.112 -31.920 -5.537 1.00 65.33 H new ATOM 0 HE ARG A 75 -21.121 -34.547 -4.490 1.00 43.50 H new ATOM 0 HH11 ARG A 75 -18.894 -31.812 -4.443 1.00 31.45 H new ATOM 0 HH12 ARG A 75 -17.855 -32.524 -3.203 1.00 31.45 H new ATOM 0 HH21 ARG A 75 -19.784 -35.472 -2.911 1.00 52.21 H new ATOM 0 HH22 ARG A 75 -18.360 -34.599 -2.335 1.00 52.21 H new ATOM 1168 N PRO A 76 -25.646 -31.499 -7.111 1.00 61.33 N ATOM 1169 CA PRO A 76 -25.224 -30.932 -8.400 1.00 55.22 C ATOM 1170 C PRO A 76 -25.561 -29.449 -8.539 1.00 1.43 C ATOM 1171 O PRO A 76 -26.695 -29.025 -8.298 1.00 62.13 O ATOM 1172 CB PRO A 76 -26.012 -31.757 -9.418 1.00 13.54 C ATOM 1173 CG PRO A 76 -27.230 -32.199 -8.689 1.00 24.42 C ATOM 1174 CD PRO A 76 -26.815 -32.387 -7.257 1.00 75.32 C ATOM 0 HA PRO A 76 -24.142 -30.980 -8.527 1.00 55.22 H new ATOM 0 HB2 PRO A 76 -26.270 -31.162 -10.294 1.00 13.54 H new ATOM 0 HB3 PRO A 76 -25.431 -32.609 -9.771 1.00 13.54 H new ATOM 0 HG2 PRO A 76 -28.024 -31.456 -8.770 1.00 24.42 H new ATOM 0 HG3 PRO A 76 -27.619 -33.128 -9.107 1.00 24.42 H new ATOM 0 HD2 PRO A 76 -27.615 -32.112 -6.569 1.00 75.32 H new ATOM 0 HD3 PRO A 76 -26.557 -33.425 -7.048 1.00 75.32 H new ATOM 1182 N HIS A 77 -24.564 -28.667 -8.926 1.00 43.11 N ATOM 1183 CA HIS A 77 -24.731 -27.232 -9.085 1.00 15.31 C ATOM 1184 C HIS A 77 -25.512 -26.928 -10.361 1.00 15.14 C ATOM 1185 O HIS A 77 -25.593 -27.761 -11.264 1.00 12.44 O ATOM 1186 CB HIS A 77 -23.365 -26.541 -9.135 1.00 21.44 C ATOM 1187 CG HIS A 77 -23.386 -25.128 -8.635 1.00 73.54 C ATOM 1188 ND1 HIS A 77 -23.970 -24.117 -9.359 1.00 34.53 N ATOM 1189 CD2 HIS A 77 -22.888 -24.619 -7.483 1.00 71.04 C ATOM 1190 CE1 HIS A 77 -23.818 -23.023 -8.638 1.00 71.12 C ATOM 1191 NE2 HIS A 77 -23.168 -23.277 -7.492 1.00 11.02 N ATOM 0 H HIS A 77 -23.625 -29.006 -9.137 1.00 43.11 H new ATOM 0 HA HIS A 77 -25.289 -26.852 -8.229 1.00 15.31 H new ATOM 0 HB2 HIS A 77 -22.655 -27.117 -8.542 1.00 21.44 H new ATOM 0 HB3 HIS A 77 -23.001 -26.548 -10.163 1.00 21.44 H new ATOM 0 HD2 HIS A 77 -22.371 -25.164 -6.708 1.00 71.04 H new ATOM 0 HE1 HIS A 77 -24.172 -22.046 -8.933 1.00 71.12 H new ATOM 0 HE2 HIS A 77 -22.928 -22.601 -6.767 1.00 11.02 H new ATOM 1199 N LYS A 78 -26.064 -25.732 -10.435 1.00 4.22 N ATOM 1200 CA LYS A 78 -26.867 -25.319 -11.570 1.00 44.22 C ATOM 1201 C LYS A 78 -26.677 -23.828 -11.815 1.00 33.31 C ATOM 1202 O LYS A 78 -27.081 -23.002 -10.996 1.00 53.31 O ATOM 1203 CB LYS A 78 -28.351 -25.614 -11.321 1.00 12.14 C ATOM 1204 CG LYS A 78 -29.266 -25.156 -12.450 1.00 42.01 C ATOM 1205 CD LYS A 78 -29.261 -26.124 -13.623 1.00 44.30 C ATOM 1206 CE LYS A 78 -30.068 -27.372 -13.314 1.00 74.25 C ATOM 1207 NZ LYS A 78 -30.122 -28.312 -14.464 1.00 1.31 N ATOM 0 H LYS A 78 -25.969 -25.020 -9.711 1.00 4.22 H new ATOM 0 HA LYS A 78 -26.543 -25.880 -12.447 1.00 44.22 H new ATOM 0 HB2 LYS A 78 -28.479 -26.686 -11.174 1.00 12.14 H new ATOM 0 HB3 LYS A 78 -28.659 -25.127 -10.396 1.00 12.14 H new ATOM 0 HG2 LYS A 78 -30.283 -25.052 -12.072 1.00 42.01 H new ATOM 0 HG3 LYS A 78 -28.951 -24.170 -12.793 1.00 42.01 H new ATOM 0 HD2 LYS A 78 -29.672 -25.632 -14.505 1.00 44.30 H new ATOM 0 HD3 LYS A 78 -28.235 -26.402 -13.863 1.00 44.30 H new ATOM 0 HE2 LYS A 78 -29.632 -27.880 -12.454 1.00 74.25 H new ATOM 0 HE3 LYS A 78 -31.082 -27.086 -13.035 1.00 74.25 H new ATOM 0 HZ1 LYS A 78 -30.256 -29.282 -14.114 1.00 1.31 H new ATOM 0 HZ2 LYS A 78 -30.916 -28.056 -15.085 1.00 1.31 H new ATOM 0 HZ3 LYS A 78 -29.232 -28.257 -14.999 1.00 1.31 H new ATOM 1221 N VAL A 79 -26.048 -23.489 -12.927 1.00 4.20 N ATOM 1222 CA VAL A 79 -25.845 -22.093 -13.297 1.00 5.11 C ATOM 1223 C VAL A 79 -26.312 -21.864 -14.722 1.00 73.31 C ATOM 1224 O VAL A 79 -25.985 -22.654 -15.613 1.00 51.44 O ATOM 1225 CB VAL A 79 -24.367 -21.661 -13.109 1.00 24.42 C ATOM 1226 CG1 VAL A 79 -23.419 -22.762 -13.541 1.00 43.34 C ATOM 1227 CG2 VAL A 79 -24.065 -20.369 -13.860 1.00 1.22 C ATOM 0 H VAL A 79 -25.667 -24.161 -13.593 1.00 4.20 H new ATOM 0 HA VAL A 79 -26.442 -21.470 -12.631 1.00 5.11 H new ATOM 0 HB VAL A 79 -24.214 -21.475 -12.046 1.00 24.42 H new ATOM 0 HG11 VAL A 79 -22.390 -22.433 -13.399 1.00 43.34 H new ATOM 0 HG12 VAL A 79 -23.601 -23.654 -12.942 1.00 43.34 H new ATOM 0 HG13 VAL A 79 -23.584 -22.992 -14.594 1.00 43.34 H new ATOM 0 HG21 VAL A 79 -23.021 -20.095 -13.707 1.00 1.22 H new ATOM 0 HG22 VAL A 79 -24.250 -20.515 -14.924 1.00 1.22 H new ATOM 0 HG23 VAL A 79 -24.708 -19.572 -13.486 1.00 1.22 H new ATOM 1237 N ASP A 80 -27.117 -20.807 -14.910 1.00 61.43 N ATOM 1238 CA ASP A 80 -27.784 -20.517 -16.188 1.00 23.20 C ATOM 1239 C ASP A 80 -28.903 -21.524 -16.433 1.00 70.23 C ATOM 1240 O ASP A 80 -30.071 -21.167 -16.592 1.00 45.31 O ATOM 1241 CB ASP A 80 -26.778 -20.526 -17.349 1.00 45.01 C ATOM 1242 CG ASP A 80 -27.439 -20.406 -18.711 1.00 34.20 C ATOM 1243 OD1 ASP A 80 -27.803 -19.281 -19.101 1.00 12.24 O ATOM 1244 OD2 ASP A 80 -27.576 -21.442 -19.399 1.00 3.44 O ATOM 0 H ASP A 80 -27.324 -20.128 -14.178 1.00 61.43 H new ATOM 0 HA ASP A 80 -28.217 -19.518 -16.133 1.00 23.20 H new ATOM 0 HB2 ASP A 80 -26.075 -19.703 -17.219 1.00 45.01 H new ATOM 0 HB3 ASP A 80 -26.199 -21.449 -17.313 1.00 45.01 H new ATOM 1249 N GLY A 81 -28.517 -22.779 -16.434 1.00 45.32 N ATOM 1250 CA GLY A 81 -29.434 -23.885 -16.583 1.00 62.01 C ATOM 1251 C GLY A 81 -28.647 -25.131 -16.870 1.00 11.42 C ATOM 1252 O GLY A 81 -29.080 -26.020 -17.602 1.00 61.14 O ATOM 0 H GLY A 81 -27.543 -23.064 -16.330 1.00 45.32 H new ATOM 0 HA2 GLY A 81 -30.023 -24.012 -15.675 1.00 62.01 H new ATOM 0 HA3 GLY A 81 -30.136 -23.687 -17.393 1.00 62.01 H new ATOM 1256 N ARG A 82 -27.467 -25.181 -16.277 1.00 43.42 N ATOM 1257 CA ARG A 82 -26.493 -26.189 -16.589 1.00 14.44 C ATOM 1258 C ARG A 82 -25.939 -26.797 -15.315 1.00 14.11 C ATOM 1259 O ARG A 82 -25.529 -26.071 -14.406 1.00 73.15 O ATOM 1260 CB ARG A 82 -25.364 -25.550 -17.395 1.00 0.13 C ATOM 1261 CG ARG A 82 -24.371 -26.549 -17.935 1.00 50.22 C ATOM 1262 CD ARG A 82 -25.063 -27.567 -18.815 1.00 60.11 C ATOM 1263 NE ARG A 82 -25.852 -26.930 -19.872 1.00 52.35 N ATOM 1264 CZ ARG A 82 -26.306 -27.568 -20.948 1.00 72.42 C ATOM 1265 NH1 ARG A 82 -26.033 -28.856 -21.122 1.00 21.52 N ATOM 1266 NH2 ARG A 82 -27.028 -26.920 -21.850 1.00 1.32 N ATOM 0 H ARG A 82 -27.165 -24.517 -15.564 1.00 43.42 H new ATOM 0 HA ARG A 82 -26.962 -26.981 -17.172 1.00 14.44 H new ATOM 0 HB2 ARG A 82 -25.793 -24.990 -18.226 1.00 0.13 H new ATOM 0 HB3 ARG A 82 -24.839 -24.832 -16.765 1.00 0.13 H new ATOM 0 HG2 ARG A 82 -23.600 -26.031 -18.506 1.00 50.22 H new ATOM 0 HG3 ARG A 82 -23.870 -27.055 -17.109 1.00 50.22 H new ATOM 0 HD2 ARG A 82 -24.318 -28.224 -19.264 1.00 60.11 H new ATOM 0 HD3 ARG A 82 -25.713 -28.193 -18.204 1.00 60.11 H new ATOM 0 HE ARG A 82 -26.066 -25.937 -19.778 1.00 52.35 H new ATOM 0 HH11 ARG A 82 -25.475 -29.357 -20.431 1.00 21.52 H new ATOM 0 HH12 ARG A 82 -26.381 -29.344 -21.947 1.00 21.52 H new ATOM 0 HH21 ARG A 82 -27.237 -25.930 -21.721 1.00 1.32 H new ATOM 0 HH22 ARG A 82 -27.375 -27.411 -22.674 1.00 1.32 H new ATOM 1280 N VAL A 83 -25.960 -28.118 -15.235 1.00 60.30 N ATOM 1281 CA VAL A 83 -25.330 -28.813 -14.129 1.00 11.33 C ATOM 1282 C VAL A 83 -23.825 -28.820 -14.332 1.00 65.40 C ATOM 1283 O VAL A 83 -23.311 -29.485 -15.233 1.00 53.30 O ATOM 1284 CB VAL A 83 -25.834 -30.261 -13.976 1.00 23.42 C ATOM 1285 CG1 VAL A 83 -25.173 -30.920 -12.778 1.00 25.44 C ATOM 1286 CG2 VAL A 83 -27.348 -30.294 -13.835 1.00 44.54 C ATOM 0 H VAL A 83 -26.406 -28.727 -15.921 1.00 60.30 H new ATOM 0 HA VAL A 83 -25.593 -28.280 -13.215 1.00 11.33 H new ATOM 0 HB VAL A 83 -25.566 -30.817 -14.874 1.00 23.42 H new ATOM 0 HG11 VAL A 83 -25.536 -31.943 -12.679 1.00 25.44 H new ATOM 0 HG12 VAL A 83 -24.092 -30.931 -12.919 1.00 25.44 H new ATOM 0 HG13 VAL A 83 -25.415 -30.360 -11.875 1.00 25.44 H new ATOM 0 HG21 VAL A 83 -27.681 -31.326 -13.728 1.00 44.54 H new ATOM 0 HG22 VAL A 83 -27.644 -29.724 -12.954 1.00 44.54 H new ATOM 0 HG23 VAL A 83 -27.806 -29.855 -14.721 1.00 44.54 H new ATOM 1296 N VAL A 84 -23.130 -28.056 -13.511 1.00 51.43 N ATOM 1297 CA VAL A 84 -21.694 -27.903 -13.650 1.00 20.15 C ATOM 1298 C VAL A 84 -20.953 -28.692 -12.587 1.00 13.34 C ATOM 1299 O VAL A 84 -21.563 -29.265 -11.686 1.00 54.50 O ATOM 1300 CB VAL A 84 -21.275 -26.422 -13.570 1.00 54.34 C ATOM 1301 CG1 VAL A 84 -21.878 -25.644 -14.725 1.00 71.03 C ATOM 1302 CG2 VAL A 84 -21.690 -25.813 -12.239 1.00 34.14 C ATOM 0 H VAL A 84 -23.538 -27.530 -12.738 1.00 51.43 H new ATOM 0 HA VAL A 84 -21.428 -28.292 -14.633 1.00 20.15 H new ATOM 0 HB VAL A 84 -20.189 -26.367 -13.641 1.00 54.34 H new ATOM 0 HG11 VAL A 84 -21.575 -24.599 -14.658 1.00 71.03 H new ATOM 0 HG12 VAL A 84 -21.528 -26.063 -15.668 1.00 71.03 H new ATOM 0 HG13 VAL A 84 -22.965 -25.710 -14.680 1.00 71.03 H new ATOM 0 HG21 VAL A 84 -21.384 -24.767 -12.206 1.00 34.14 H new ATOM 0 HG22 VAL A 84 -22.773 -25.877 -12.131 1.00 34.14 H new ATOM 0 HG23 VAL A 84 -21.211 -26.357 -11.425 1.00 34.14 H new ATOM 1312 N GLU A 85 -19.638 -28.714 -12.698 1.00 62.32 N ATOM 1313 CA GLU A 85 -18.804 -29.437 -11.759 1.00 10.12 C ATOM 1314 C GLU A 85 -17.760 -28.497 -11.172 1.00 23.15 C ATOM 1315 O GLU A 85 -16.776 -28.160 -11.833 1.00 13.42 O ATOM 1316 CB GLU A 85 -18.137 -30.620 -12.460 1.00 65.12 C ATOM 1317 CG GLU A 85 -17.328 -31.520 -11.543 1.00 31.54 C ATOM 1318 CD GLU A 85 -16.755 -32.713 -12.279 1.00 32.35 C ATOM 1319 OE1 GLU A 85 -15.577 -32.657 -12.691 1.00 53.21 O ATOM 1320 OE2 GLU A 85 -17.489 -33.708 -12.461 1.00 33.02 O ATOM 0 H GLU A 85 -19.122 -28.235 -13.436 1.00 62.32 H new ATOM 0 HA GLU A 85 -19.420 -29.823 -10.947 1.00 10.12 H new ATOM 0 HB2 GLU A 85 -18.907 -31.218 -12.949 1.00 65.12 H new ATOM 0 HB3 GLU A 85 -17.483 -30.240 -13.245 1.00 65.12 H new ATOM 0 HG2 GLU A 85 -16.516 -30.946 -11.096 1.00 31.54 H new ATOM 0 HG3 GLU A 85 -17.960 -31.868 -10.726 1.00 31.54 H new ATOM 1327 N PRO A 86 -17.989 -28.033 -9.937 1.00 32.41 N ATOM 1328 CA PRO A 86 -17.111 -27.095 -9.262 1.00 43.14 C ATOM 1329 C PRO A 86 -16.037 -27.790 -8.427 1.00 23.00 C ATOM 1330 O PRO A 86 -16.336 -28.482 -7.451 1.00 20.14 O ATOM 1331 CB PRO A 86 -18.078 -26.307 -8.374 1.00 14.51 C ATOM 1332 CG PRO A 86 -19.305 -27.162 -8.214 1.00 34.30 C ATOM 1333 CD PRO A 86 -19.137 -28.378 -9.094 1.00 21.33 C ATOM 0 HA PRO A 86 -16.548 -26.476 -9.960 1.00 43.14 H new ATOM 0 HB2 PRO A 86 -17.627 -26.091 -7.406 1.00 14.51 H new ATOM 0 HB3 PRO A 86 -18.329 -25.349 -8.829 1.00 14.51 H new ATOM 0 HG2 PRO A 86 -19.431 -27.458 -7.173 1.00 34.30 H new ATOM 0 HG3 PRO A 86 -20.198 -26.605 -8.498 1.00 34.30 H new ATOM 0 HD2 PRO A 86 -18.948 -29.276 -8.506 1.00 21.33 H new ATOM 0 HD3 PRO A 86 -20.030 -28.569 -9.690 1.00 21.33 H new ATOM 1341 N LYS A 87 -14.788 -27.606 -8.826 1.00 34.33 N ATOM 1342 CA LYS A 87 -13.659 -28.229 -8.147 1.00 12.24 C ATOM 1343 C LYS A 87 -12.605 -27.182 -7.803 1.00 13.15 C ATOM 1344 O LYS A 87 -12.603 -26.100 -8.380 1.00 64.23 O ATOM 1345 CB LYS A 87 -13.062 -29.316 -9.043 1.00 5.12 C ATOM 1346 CG LYS A 87 -14.055 -30.416 -9.384 1.00 30.31 C ATOM 1347 CD LYS A 87 -13.465 -31.466 -10.310 1.00 54.01 C ATOM 1348 CE LYS A 87 -13.116 -30.891 -11.674 1.00 11.12 C ATOM 1349 NZ LYS A 87 -12.965 -31.961 -12.694 1.00 13.11 N ATOM 0 H LYS A 87 -14.528 -27.025 -9.623 1.00 34.33 H new ATOM 0 HA LYS A 87 -14.004 -28.683 -7.218 1.00 12.24 H new ATOM 0 HB2 LYS A 87 -12.701 -28.861 -9.965 1.00 5.12 H new ATOM 0 HB3 LYS A 87 -12.198 -29.756 -8.545 1.00 5.12 H new ATOM 0 HG2 LYS A 87 -14.392 -30.895 -8.465 1.00 30.31 H new ATOM 0 HG3 LYS A 87 -14.934 -29.975 -9.854 1.00 30.31 H new ATOM 0 HD2 LYS A 87 -12.569 -31.889 -9.855 1.00 54.01 H new ATOM 0 HD3 LYS A 87 -14.176 -32.283 -10.432 1.00 54.01 H new ATOM 0 HE2 LYS A 87 -13.895 -30.196 -11.987 1.00 11.12 H new ATOM 0 HE3 LYS A 87 -12.190 -30.321 -11.603 1.00 11.12 H new ATOM 0 HZ1 LYS A 87 -12.413 -31.599 -13.498 1.00 13.11 H new ATOM 0 HZ2 LYS A 87 -12.472 -32.774 -12.274 1.00 13.11 H new ATOM 0 HZ3 LYS A 87 -13.904 -32.259 -13.026 1.00 13.11 H new ATOM 1363 N ARG A 88 -11.730 -27.491 -6.852 1.00 63.10 N ATOM 1364 CA ARG A 88 -10.658 -26.572 -6.472 1.00 32.44 C ATOM 1365 C ARG A 88 -9.758 -26.295 -7.669 1.00 34.03 C ATOM 1366 O ARG A 88 -9.264 -27.223 -8.310 1.00 42.50 O ATOM 1367 CB ARG A 88 -9.822 -27.149 -5.325 1.00 43.33 C ATOM 1368 CG ARG A 88 -9.810 -26.286 -4.073 1.00 62.13 C ATOM 1369 CD ARG A 88 -11.171 -26.281 -3.410 1.00 51.35 C ATOM 1370 NE ARG A 88 -11.208 -25.499 -2.176 1.00 44.12 N ATOM 1371 CZ ARG A 88 -11.930 -25.846 -1.107 1.00 32.51 C ATOM 1372 NH1 ARG A 88 -12.546 -27.020 -1.071 1.00 63.03 N ATOM 1373 NH2 ARG A 88 -12.005 -25.039 -0.059 1.00 22.10 N ATOM 0 H ARG A 88 -11.740 -28.367 -6.330 1.00 63.10 H new ATOM 0 HA ARG A 88 -11.114 -25.641 -6.136 1.00 32.44 H new ATOM 0 HB2 ARG A 88 -10.207 -28.136 -5.070 1.00 43.33 H new ATOM 0 HB3 ARG A 88 -8.797 -27.286 -5.669 1.00 43.33 H new ATOM 0 HG2 ARG A 88 -9.062 -26.661 -3.375 1.00 62.13 H new ATOM 0 HG3 ARG A 88 -9.523 -25.267 -4.331 1.00 62.13 H new ATOM 0 HD2 ARG A 88 -11.906 -25.881 -4.108 1.00 51.35 H new ATOM 0 HD3 ARG A 88 -11.465 -27.307 -3.191 1.00 51.35 H new ATOM 0 HE ARG A 88 -10.654 -24.644 -2.129 1.00 44.12 H new ATOM 0 HH11 ARG A 88 -12.469 -27.661 -1.861 1.00 63.03 H new ATOM 0 HH12 ARG A 88 -13.097 -27.282 -0.253 1.00 63.03 H new ATOM 0 HH21 ARG A 88 -11.510 -24.147 -0.066 1.00 22.10 H new ATOM 0 HH22 ARG A 88 -12.558 -25.309 0.754 1.00 22.10 H new ATOM 1387 N ALA A 89 -9.558 -25.023 -7.973 1.00 65.13 N ATOM 1388 CA ALA A 89 -8.754 -24.638 -9.120 1.00 2.31 C ATOM 1389 C ALA A 89 -7.298 -25.052 -8.937 1.00 73.35 C ATOM 1390 O ALA A 89 -6.773 -25.042 -7.824 1.00 21.15 O ATOM 1391 CB ALA A 89 -8.853 -23.140 -9.354 1.00 75.25 C ATOM 0 H ALA A 89 -9.941 -24.241 -7.442 1.00 65.13 H new ATOM 0 HA ALA A 89 -9.143 -25.158 -9.995 1.00 2.31 H new ATOM 0 HB1 ALA A 89 -8.246 -22.866 -10.216 1.00 75.25 H new ATOM 0 HB2 ALA A 89 -9.892 -22.869 -9.541 1.00 75.25 H new ATOM 0 HB3 ALA A 89 -8.492 -22.609 -8.473 1.00 75.25 H new ATOM 1397 N VAL A 90 -6.666 -25.448 -10.028 1.00 53.01 N ATOM 1398 CA VAL A 90 -5.254 -25.785 -10.019 1.00 1.04 C ATOM 1399 C VAL A 90 -4.439 -24.554 -10.410 1.00 1.13 C ATOM 1400 O VAL A 90 -4.997 -23.587 -10.923 1.00 41.22 O ATOM 1401 CB VAL A 90 -4.960 -26.959 -10.987 1.00 72.32 C ATOM 1402 CG1 VAL A 90 -5.093 -26.516 -12.437 1.00 55.41 C ATOM 1403 CG2 VAL A 90 -3.588 -27.564 -10.728 1.00 62.14 C ATOM 0 H VAL A 90 -7.114 -25.544 -10.939 1.00 53.01 H new ATOM 0 HA VAL A 90 -4.972 -26.103 -9.015 1.00 1.04 H new ATOM 0 HB VAL A 90 -5.703 -27.734 -10.799 1.00 72.32 H new ATOM 0 HG11 VAL A 90 -4.882 -27.358 -13.096 1.00 55.41 H new ATOM 0 HG12 VAL A 90 -6.107 -26.160 -12.617 1.00 55.41 H new ATOM 0 HG13 VAL A 90 -4.385 -25.712 -12.638 1.00 55.41 H new ATOM 0 HG21 VAL A 90 -3.415 -28.384 -11.424 1.00 62.14 H new ATOM 0 HG22 VAL A 90 -2.822 -26.801 -10.868 1.00 62.14 H new ATOM 0 HG23 VAL A 90 -3.543 -27.940 -9.706 1.00 62.14 H new