USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 24 THR OG1 : rot 108:sc= 0.831 USER MOD Set 1.2: A 26 SER OG : rot -67:sc= 0.0588 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 30:sc= 0.103 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 170:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.3 USER MOD Single : A 55 SER OG : rot 92:sc= 0.0381 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -4.6! C(o=-4.6!,f=-5.5!) USER MOD Single : A 78 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 80 MET CE :methyl -118:sc= -2.68! (180deg=-4.14) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0913 F(o=-0.92,f=-0.091) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.1) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0875 F(o=-0.82,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.992 -7.308 2.534 1.00 0.55 N ATOM 139 CA SER A 12 -10.140 -8.209 3.302 1.00 0.45 C ATOM 140 C SER A 12 -8.738 -7.631 3.458 1.00 0.39 C ATOM 141 O SER A 12 -8.219 -6.976 2.553 1.00 0.38 O ATOM 142 CB SER A 12 -10.065 -9.579 2.624 1.00 0.51 C ATOM 143 OG SER A 12 -9.224 -10.461 3.348 1.00 0.90 O ATOM 0 HA SER A 12 -10.579 -8.325 4.293 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.065 -10.006 2.548 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.689 -9.465 1.607 1.00 0.51 H new ATOM 0 HG SER A 12 -9.194 -11.330 2.895 1.00 0.90 H new ATOM 149 N LEU A 13 -8.134 -7.878 4.617 1.00 0.41 N ATOM 150 CA LEU A 13 -6.791 -7.389 4.901 1.00 0.40 C ATOM 151 C LEU A 13 -5.742 -8.285 4.254 1.00 0.45 C ATOM 152 O LEU A 13 -5.752 -9.502 4.440 1.00 0.68 O ATOM 153 CB LEU A 13 -6.556 -7.322 6.412 1.00 0.56 C ATOM 154 CG LEU A 13 -7.502 -6.396 7.179 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.288 -6.540 8.678 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.294 -4.953 6.747 1.00 0.79 C ATOM 0 H LEU A 13 -8.555 -8.415 5.375 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.700 -6.387 4.482 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.646 -8.328 6.822 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.531 -6.996 6.590 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.529 -6.681 6.950 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -7.969 -5.874 9.208 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.482 -7.570 8.976 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.259 -6.279 8.925 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -7.974 -4.306 7.301 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.265 -4.657 6.950 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.494 -4.860 5.680 1.00 0.79 H new ATOM 168 N TYR A 14 -4.839 -7.676 3.497 1.00 0.36 N ATOM 169 CA TYR A 14 -3.782 -8.417 2.821 1.00 0.50 C ATOM 170 C TYR A 14 -2.408 -7.868 3.195 1.00 0.31 C ATOM 171 O TYR A 14 -2.214 -6.654 3.270 1.00 0.37 O ATOM 172 CB TYR A 14 -3.983 -8.361 1.305 1.00 0.80 C ATOM 173 CG TYR A 14 -5.128 -9.224 0.816 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.924 -10.563 0.505 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.410 -8.704 0.665 1.00 0.71 C ATOM 176 CE1 TYR A 14 -5.960 -11.359 0.060 1.00 1.90 C ATOM 177 CE2 TYR A 14 -7.453 -9.497 0.220 1.00 1.34 C ATOM 178 CZ TYR A 14 -7.221 -10.822 -0.081 1.00 1.98 C ATOM 179 OH TYR A 14 -8.256 -11.614 -0.524 1.00 2.73 O ATOM 0 H TYR A 14 -4.817 -6.669 3.335 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.832 -9.457 3.145 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.164 -7.328 1.008 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.064 -8.677 0.812 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -3.937 -10.988 0.613 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.594 -7.666 0.899 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.783 -12.398 -0.177 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -8.443 -9.080 0.109 1.00 1.34 H new ATOM 0 HH TYR A 14 -9.079 -11.083 -0.567 1.00 2.73 H new ATOM 189 N SER A 15 -1.459 -8.768 3.434 1.00 0.43 N ATOM 190 CA SER A 15 -0.108 -8.370 3.810 1.00 0.38 C ATOM 191 C SER A 15 0.935 -9.125 2.991 1.00 0.33 C ATOM 192 O SER A 15 0.863 -10.345 2.850 1.00 0.41 O ATOM 193 CB SER A 15 0.121 -8.619 5.301 1.00 0.59 C ATOM 194 OG SER A 15 -0.035 -9.991 5.620 1.00 1.19 O ATOM 0 H SER A 15 -1.601 -9.776 3.374 1.00 0.43 H new ATOM 0 HA SER A 15 -0.001 -7.305 3.603 1.00 0.38 H new ATOM 0 HB2 SER A 15 1.123 -8.290 5.578 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.583 -8.025 5.884 1.00 0.59 H new ATOM 0 HG SER A 15 0.214 -10.537 4.846 1.00 1.19 H new ATOM 200 N VAL A 16 1.902 -8.388 2.453 1.00 0.32 N ATOM 201 CA VAL A 16 2.964 -8.983 1.649 1.00 0.33 C ATOM 202 C VAL A 16 4.326 -8.749 2.296 1.00 0.31 C ATOM 203 O VAL A 16 4.493 -7.822 3.089 1.00 0.44 O ATOM 204 CB VAL A 16 2.975 -8.410 0.218 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.837 -9.267 -0.696 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.559 -8.297 -0.324 1.00 0.56 C ATOM 0 H VAL A 16 1.972 -7.376 2.560 1.00 0.32 H new ATOM 0 HA VAL A 16 2.767 -10.054 1.595 1.00 0.33 H new ATOM 0 HB VAL A 16 3.407 -7.410 0.252 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.832 -8.846 -1.701 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.859 -9.289 -0.317 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.439 -10.281 -0.726 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.588 -7.891 -1.335 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.097 -9.284 -0.343 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.976 -7.635 0.317 1.00 0.56 H new ATOM 216 N GLU A 17 5.298 -9.591 1.954 1.00 0.33 N ATOM 217 CA GLU A 17 6.641 -9.473 2.513 1.00 0.34 C ATOM 218 C GLU A 17 7.640 -8.997 1.460 1.00 0.32 C ATOM 219 O GLU A 17 7.973 -9.731 0.529 1.00 0.38 O ATOM 220 CB GLU A 17 7.092 -10.817 3.087 1.00 0.45 C ATOM 221 CG GLU A 17 6.133 -11.393 4.115 1.00 0.71 C ATOM 222 CD GLU A 17 6.602 -12.723 4.672 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.332 -13.761 4.034 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.240 -12.725 5.745 1.00 1.74 O ATOM 0 H GLU A 17 5.181 -10.360 1.294 1.00 0.33 H new ATOM 0 HA GLU A 17 6.608 -8.731 3.311 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.208 -11.530 2.271 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.073 -10.696 3.546 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.014 -10.683 4.933 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.151 -11.521 3.659 1.00 0.71 H new ATOM 231 N LEU A 18 8.112 -7.763 1.615 1.00 0.31 N ATOM 232 CA LEU A 18 9.079 -7.186 0.687 1.00 0.34 C ATOM 233 C LEU A 18 10.374 -6.845 1.416 1.00 0.38 C ATOM 234 O LEU A 18 10.416 -6.834 2.646 1.00 0.68 O ATOM 235 CB LEU A 18 8.507 -5.931 0.019 1.00 0.40 C ATOM 236 CG LEU A 18 7.648 -6.178 -1.227 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.471 -6.841 -2.321 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.433 -7.027 -0.888 1.00 0.71 C ATOM 0 H LEU A 18 7.839 -7.142 2.377 1.00 0.31 H new ATOM 0 HA LEU A 18 9.292 -7.924 -0.086 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.906 -5.393 0.752 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.335 -5.278 -0.256 1.00 0.40 H new ATOM 0 HG LEU A 18 7.298 -5.213 -1.593 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.844 -7.008 -3.197 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.306 -6.194 -2.590 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.853 -7.796 -1.961 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.839 -7.188 -1.788 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.760 -7.988 -0.492 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.827 -6.514 -0.141 1.00 0.71 H new ATOM 250 N PHE A 19 11.432 -6.574 0.660 1.00 0.41 N ATOM 251 CA PHE A 19 12.720 -6.242 1.257 1.00 0.43 C ATOM 252 C PHE A 19 13.466 -5.194 0.438 1.00 0.49 C ATOM 253 O PHE A 19 13.572 -5.304 -0.784 1.00 0.59 O ATOM 254 CB PHE A 19 13.577 -7.503 1.399 1.00 0.48 C ATOM 255 CG PHE A 19 13.795 -8.234 0.104 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.832 -9.101 -0.387 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.961 -8.054 -0.622 1.00 1.50 C ATOM 258 CE1 PHE A 19 13.028 -9.774 -1.577 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.164 -8.724 -1.813 1.00 2.08 C ATOM 260 CZ PHE A 19 14.195 -9.587 -2.291 1.00 1.94 C ATOM 0 H PHE A 19 11.424 -6.577 -0.360 1.00 0.41 H new ATOM 0 HA PHE A 19 12.529 -5.821 2.244 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.545 -7.229 1.818 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.101 -8.177 2.111 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.918 -9.252 0.167 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.721 -7.381 -0.252 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.269 -10.446 -1.949 1.00 1.25 H new ATOM 0 HE2 PHE A 19 16.077 -8.574 -2.369 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.351 -10.114 -3.221 1.00 1.94 H new ATOM 270 N ARG A 20 13.977 -4.173 1.122 1.00 0.52 N ATOM 271 CA ARG A 20 14.728 -3.109 0.462 1.00 0.66 C ATOM 272 C ARG A 20 16.227 -3.374 0.574 1.00 0.68 C ATOM 273 O ARG A 20 16.856 -3.015 1.568 1.00 0.83 O ATOM 274 CB ARG A 20 14.386 -1.751 1.081 1.00 0.73 C ATOM 275 CG ARG A 20 15.247 -0.605 0.566 1.00 0.99 C ATOM 276 CD ARG A 20 14.860 -0.198 -0.845 1.00 1.19 C ATOM 277 NE ARG A 20 13.559 0.459 -0.882 1.00 1.60 N ATOM 278 CZ ARG A 20 13.399 1.774 -1.001 1.00 2.26 C ATOM 279 NH1 ARG A 20 14.457 2.568 -1.097 1.00 2.52 N ATOM 280 NH2 ARG A 20 12.179 2.296 -1.024 1.00 3.06 N ATOM 0 H ARG A 20 13.885 -4.060 2.132 1.00 0.52 H new ATOM 0 HA ARG A 20 14.451 -3.092 -0.592 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.339 -1.524 0.881 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.496 -1.818 2.163 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.147 0.252 1.232 1.00 0.99 H new ATOM 0 HG3 ARG A 20 16.296 -0.902 0.584 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.617 0.473 -1.250 1.00 1.19 H new ATOM 0 HD3 ARG A 20 14.840 -1.080 -1.485 1.00 1.19 H new ATOM 0 HE ARG A 20 12.724 -0.123 -0.813 1.00 1.60 H new ATOM 0 HH11 ARG A 20 15.396 2.170 -1.080 1.00 2.52 H new ATOM 0 HH12 ARG A 20 14.331 3.576 -1.188 1.00 2.52 H new ATOM 0 HH21 ARG A 20 11.363 1.689 -0.950 1.00 3.06 H new ATOM 0 HH22 ARG A 20 12.057 3.305 -1.115 1.00 3.06 H new ATOM 294 N GLU A 21 16.794 -4.003 -0.451 1.00 0.82 N ATOM 295 CA GLU A 21 18.218 -4.323 -0.456 1.00 0.93 C ATOM 296 C GLU A 21 18.878 -3.875 -1.754 1.00 1.16 C ATOM 297 O GLU A 21 20.031 -4.212 -2.023 1.00 1.57 O ATOM 298 CB GLU A 21 18.421 -5.827 -0.265 1.00 1.09 C ATOM 299 CG GLU A 21 17.875 -6.357 1.052 1.00 1.62 C ATOM 300 CD GLU A 21 18.601 -5.791 2.257 1.00 2.00 C ATOM 301 OE1 GLU A 21 19.757 -6.197 2.497 1.00 2.21 O ATOM 302 OE2 GLU A 21 18.012 -4.946 2.963 1.00 2.58 O ATOM 0 H GLU A 21 16.291 -4.301 -1.287 1.00 0.82 H new ATOM 0 HA GLU A 21 18.686 -3.787 0.370 1.00 0.93 H new ATOM 0 HB2 GLU A 21 17.939 -6.357 -1.087 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.486 -6.051 -0.322 1.00 1.09 H new ATOM 0 HG2 GLU A 21 16.815 -6.115 1.125 1.00 1.62 H new ATOM 0 HG3 GLU A 21 17.955 -7.444 1.062 1.00 1.62 H new ATOM 309 N LYS A 22 18.143 -3.110 -2.553 1.00 1.11 N ATOM 310 CA LYS A 22 18.660 -2.619 -3.824 1.00 1.40 C ATOM 311 C LYS A 22 18.894 -1.114 -3.769 1.00 1.31 C ATOM 312 O LYS A 22 18.218 -0.395 -3.032 1.00 1.38 O ATOM 313 CB LYS A 22 17.688 -2.960 -4.958 1.00 1.65 C ATOM 314 CG LYS A 22 17.343 -4.439 -5.047 1.00 2.00 C ATOM 315 CD LYS A 22 18.575 -5.290 -5.317 1.00 2.54 C ATOM 316 CE LYS A 22 18.231 -6.771 -5.355 1.00 3.05 C ATOM 317 NZ LYS A 22 19.437 -7.616 -5.568 1.00 3.72 N ATOM 0 H LYS A 22 17.189 -2.817 -2.343 1.00 1.11 H new ATOM 0 HA LYS A 22 19.615 -3.108 -4.016 1.00 1.40 H new ATOM 0 HB2 LYS A 22 16.769 -2.390 -4.820 1.00 1.65 H new ATOM 0 HB3 LYS A 22 18.123 -2.640 -5.905 1.00 1.65 H new ATOM 0 HG2 LYS A 22 16.876 -4.760 -4.116 1.00 2.00 H new ATOM 0 HG3 LYS A 22 16.612 -4.595 -5.841 1.00 2.00 H new ATOM 0 HD2 LYS A 22 19.022 -4.995 -6.266 1.00 2.54 H new ATOM 0 HD3 LYS A 22 19.321 -5.108 -4.543 1.00 2.54 H new ATOM 0 HE2 LYS A 22 17.749 -7.056 -4.420 1.00 3.05 H new ATOM 0 HE3 LYS A 22 17.512 -6.956 -6.153 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 19.160 -8.618 -5.588 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 19.883 -7.362 -6.473 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 20.112 -7.459 -4.793 1.00 3.72 H new ATOM 331 N ASP A 23 19.858 -0.643 -4.556 1.00 1.46 N ATOM 332 CA ASP A 23 20.187 0.777 -4.601 1.00 1.51 C ATOM 333 C ASP A 23 19.212 1.536 -5.496 1.00 1.31 C ATOM 334 O ASP A 23 19.485 2.661 -5.916 1.00 1.58 O ATOM 335 CB ASP A 23 21.618 0.972 -5.106 1.00 1.91 C ATOM 336 CG ASP A 23 21.828 0.383 -6.486 1.00 2.29 C ATOM 337 OD1 ASP A 23 22.124 -0.827 -6.576 1.00 2.58 O ATOM 338 OD2 ASP A 23 21.699 1.132 -7.478 1.00 2.87 O ATOM 0 H ASP A 23 20.425 -1.226 -5.172 1.00 1.46 H new ATOM 0 HA ASP A 23 20.106 1.175 -3.590 1.00 1.51 H new ATOM 0 HB2 ASP A 23 21.851 2.037 -5.129 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.314 0.509 -4.406 1.00 1.91 H new ATOM 343 N THR A 24 18.073 0.914 -5.782 1.00 1.02 N ATOM 344 CA THR A 24 17.056 1.527 -6.625 1.00 0.98 C ATOM 345 C THR A 24 16.401 2.711 -5.924 1.00 1.01 C ATOM 346 O THR A 24 15.664 3.481 -6.542 1.00 1.16 O ATOM 347 CB THR A 24 15.967 0.512 -7.017 1.00 1.17 C ATOM 348 OG1 THR A 24 15.252 0.086 -5.852 1.00 1.38 O ATOM 349 CG2 THR A 24 16.577 -0.699 -7.707 1.00 1.19 C ATOM 0 H THR A 24 17.832 -0.016 -5.441 1.00 1.02 H new ATOM 0 HA THR A 24 17.560 1.876 -7.526 1.00 0.98 H new ATOM 0 HB THR A 24 15.281 1.001 -7.709 1.00 1.17 H new ATOM 0 HG1 THR A 24 14.352 0.473 -5.861 1.00 1.38 H new ATOM 0 HG21 THR A 24 15.788 -1.402 -7.974 1.00 1.19 H new ATOM 0 HG22 THR A 24 17.099 -0.379 -8.609 1.00 1.19 H new ATOM 0 HG23 THR A 24 17.282 -1.185 -7.033 1.00 1.19 H new ATOM 357 N SER A 25 16.677 2.848 -4.629 1.00 1.05 N ATOM 358 CA SER A 25 16.123 3.938 -3.830 1.00 1.35 C ATOM 359 C SER A 25 14.598 3.907 -3.837 1.00 1.17 C ATOM 360 O SER A 25 13.948 4.911 -3.545 1.00 1.39 O ATOM 361 CB SER A 25 16.616 5.288 -4.356 1.00 1.79 C ATOM 362 OG SER A 25 18.031 5.367 -4.315 1.00 2.45 O ATOM 0 H SER A 25 17.284 2.214 -4.109 1.00 1.05 H new ATOM 0 HA SER A 25 16.465 3.806 -2.804 1.00 1.35 H new ATOM 0 HB2 SER A 25 16.270 5.431 -5.380 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.186 6.093 -3.759 1.00 1.79 H new ATOM 0 HG SER A 25 18.320 6.238 -4.658 1.00 2.45 H new ATOM 368 N SER A 26 14.033 2.748 -4.166 1.00 0.84 N ATOM 369 CA SER A 26 12.582 2.591 -4.211 1.00 0.72 C ATOM 370 C SER A 26 12.190 1.117 -4.228 1.00 0.58 C ATOM 371 O SER A 26 12.988 0.254 -4.592 1.00 0.69 O ATOM 372 CB SER A 26 12.016 3.290 -5.448 1.00 0.81 C ATOM 373 OG SER A 26 12.518 2.704 -6.638 1.00 1.40 O ATOM 0 H SER A 26 14.556 1.906 -4.405 1.00 0.84 H new ATOM 0 HA SER A 26 12.165 3.048 -3.314 1.00 0.72 H new ATOM 0 HB2 SER A 26 10.928 3.228 -5.439 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.275 4.348 -5.422 1.00 0.81 H new ATOM 0 HG SER A 26 13.479 2.883 -6.711 1.00 1.40 H new ATOM 379 N LEU A 27 10.953 0.837 -3.830 1.00 0.42 N ATOM 380 CA LEU A 27 10.447 -0.531 -3.801 1.00 0.32 C ATOM 381 C LEU A 27 9.534 -0.791 -4.994 1.00 0.29 C ATOM 382 O LEU A 27 9.180 -1.933 -5.278 1.00 0.41 O ATOM 383 CB LEU A 27 9.687 -0.795 -2.499 1.00 0.35 C ATOM 384 CG LEU A 27 10.548 -0.836 -1.236 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.671 -0.854 0.007 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.465 -2.052 -1.257 1.00 0.43 C ATOM 0 H LEU A 27 10.281 1.541 -3.523 1.00 0.42 H new ATOM 0 HA LEU A 27 11.299 -1.208 -3.856 1.00 0.32 H new ATOM 0 HB2 LEU A 27 8.929 -0.021 -2.377 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.161 -1.745 -2.591 1.00 0.35 H new ATOM 0 HG LEU A 27 11.165 0.063 -1.210 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.301 -0.883 0.896 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.053 0.044 0.029 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.030 -1.735 -0.013 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.071 -2.066 -0.351 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.864 -2.960 -1.306 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.117 -2.001 -2.129 1.00 0.43 H new ATOM 398 N GLY A 28 9.157 0.280 -5.685 1.00 0.29 N ATOM 399 CA GLY A 28 8.287 0.152 -6.839 1.00 0.31 C ATOM 400 C GLY A 28 6.846 0.484 -6.514 1.00 0.29 C ATOM 401 O GLY A 28 5.925 0.021 -7.186 1.00 0.52 O ATOM 0 H GLY A 28 9.439 1.235 -5.466 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.639 0.812 -7.632 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.345 -0.866 -7.223 1.00 0.31 H new ATOM 405 N ILE A 29 6.652 1.294 -5.478 1.00 0.35 N ATOM 406 CA ILE A 29 5.318 1.691 -5.052 1.00 0.32 C ATOM 407 C ILE A 29 4.998 3.109 -5.514 1.00 0.30 C ATOM 408 O ILE A 29 5.643 4.070 -5.094 1.00 0.35 O ATOM 409 CB ILE A 29 5.177 1.610 -3.520 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.496 0.193 -3.035 1.00 0.46 C ATOM 411 CG2 ILE A 29 3.775 2.021 -3.093 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.556 0.063 -1.527 1.00 0.84 C ATOM 0 H ILE A 29 7.407 1.689 -4.917 1.00 0.35 H new ATOM 0 HA ILE A 29 4.612 0.998 -5.510 1.00 0.32 H new ATOM 0 HB ILE A 29 5.888 2.300 -3.065 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.740 -0.492 -3.420 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.452 -0.119 -3.456 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.692 1.958 -2.008 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.583 3.045 -3.413 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.045 1.354 -3.552 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.786 -0.968 -1.260 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.332 0.721 -1.136 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.593 0.342 -1.099 1.00 0.84 H new ATOM 424 N SER A 30 4.000 3.232 -6.384 1.00 0.27 N ATOM 425 CA SER A 30 3.592 4.531 -6.903 1.00 0.29 C ATOM 426 C SER A 30 2.221 4.920 -6.362 1.00 0.28 C ATOM 427 O SER A 30 1.195 4.422 -6.827 1.00 0.35 O ATOM 428 CB SER A 30 3.562 4.510 -8.432 1.00 0.33 C ATOM 429 OG SER A 30 3.165 5.767 -8.951 1.00 0.95 O ATOM 0 H SER A 30 3.459 2.446 -6.744 1.00 0.27 H new ATOM 0 HA SER A 30 4.320 5.272 -6.574 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.549 4.250 -8.815 1.00 0.33 H new ATOM 0 HB3 SER A 30 2.874 3.738 -8.775 1.00 0.33 H new ATOM 0 HG SER A 30 3.307 5.780 -9.921 1.00 0.95 H new ATOM 435 N ILE A 31 2.210 5.812 -5.377 1.00 0.25 N ATOM 436 CA ILE A 31 0.965 6.265 -4.768 1.00 0.27 C ATOM 437 C ILE A 31 0.527 7.612 -5.331 1.00 0.31 C ATOM 438 O ILE A 31 1.329 8.349 -5.904 1.00 0.41 O ATOM 439 CB ILE A 31 1.097 6.379 -3.239 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.313 7.236 -2.874 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.201 4.995 -2.614 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.453 7.497 -1.390 1.00 0.39 C ATOM 0 H ILE A 31 3.050 6.236 -4.983 1.00 0.25 H new ATOM 0 HA ILE A 31 0.210 5.516 -5.007 1.00 0.27 H new ATOM 0 HB ILE A 31 0.206 6.866 -2.843 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.215 6.741 -3.233 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.243 8.190 -3.396 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.294 5.090 -1.532 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.306 4.420 -2.852 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.078 4.482 -3.010 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.336 8.110 -1.210 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.568 8.020 -1.028 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.556 6.549 -0.862 1.00 0.39 H new ATOM 454 N SER A 32 -0.754 7.924 -5.161 1.00 0.37 N ATOM 455 CA SER A 32 -1.310 9.181 -5.645 1.00 0.44 C ATOM 456 C SER A 32 -2.480 9.625 -4.773 1.00 0.55 C ATOM 457 O SER A 32 -3.234 8.796 -4.263 1.00 0.59 O ATOM 458 CB SER A 32 -1.768 9.034 -7.097 1.00 0.48 C ATOM 459 OG SER A 32 -2.318 10.245 -7.585 1.00 1.32 O ATOM 0 H SER A 32 -1.428 7.321 -4.690 1.00 0.37 H new ATOM 0 HA SER A 32 -0.530 9.941 -5.593 1.00 0.44 H new ATOM 0 HB2 SER A 32 -0.924 8.738 -7.719 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.511 8.239 -7.168 1.00 0.48 H new ATOM 0 HG SER A 32 -2.601 10.124 -8.515 1.00 1.32 H new ATOM 465 N GLY A 33 -2.624 10.936 -4.603 1.00 0.70 N ATOM 466 CA GLY A 33 -3.703 11.464 -3.788 1.00 0.87 C ATOM 467 C GLY A 33 -4.989 11.643 -4.569 1.00 0.88 C ATOM 468 O GLY A 33 -4.962 11.911 -5.771 1.00 0.95 O ATOM 0 H GLY A 33 -2.013 11.641 -5.015 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.882 10.792 -2.949 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -3.400 12.423 -3.368 1.00 0.87 H new ATOM 634 N ILE A 46 -3.896 7.495 1.332 1.00 0.46 N ATOM 635 CA ILE A 46 -2.780 7.003 0.531 1.00 0.39 C ATOM 636 C ILE A 46 -3.092 5.631 -0.062 1.00 0.39 C ATOM 637 O ILE A 46 -3.412 4.691 0.665 1.00 0.57 O ATOM 638 CB ILE A 46 -1.487 6.908 1.368 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.192 8.246 2.056 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.315 6.486 0.493 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.979 9.399 1.095 1.00 0.55 C ATOM 0 HA ILE A 46 -2.629 7.719 -0.277 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.630 6.151 2.139 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.019 8.490 2.723 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.303 8.135 2.677 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.588 6.424 1.100 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.523 5.511 0.051 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.170 7.220 -0.300 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.776 10.310 1.659 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.133 9.179 0.444 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.875 9.539 0.490 1.00 0.55 H new ATOM 653 N TYR A 47 -2.999 5.526 -1.385 1.00 0.30 N ATOM 654 CA TYR A 47 -3.270 4.266 -2.071 1.00 0.30 C ATOM 655 C TYR A 47 -2.397 4.119 -3.315 1.00 0.26 C ATOM 656 O TYR A 47 -2.070 5.103 -3.980 1.00 0.29 O ATOM 657 CB TYR A 47 -4.750 4.175 -2.458 1.00 0.36 C ATOM 658 CG TYR A 47 -5.191 5.218 -3.461 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.616 6.473 -3.044 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.185 4.946 -4.823 1.00 0.48 C ATOM 661 CE1 TYR A 47 -6.024 7.427 -3.957 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.589 5.895 -5.742 1.00 0.57 C ATOM 663 CZ TYR A 47 -6.008 7.133 -5.305 1.00 0.58 C ATOM 664 OH TYR A 47 -6.413 8.080 -6.217 1.00 0.70 O ATOM 0 H TYR A 47 -2.739 6.296 -2.002 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.031 3.454 -1.385 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.947 3.185 -2.869 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.357 4.273 -1.558 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.628 6.707 -1.990 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.859 3.976 -5.169 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.354 8.398 -3.617 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.577 5.668 -6.798 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.340 7.714 -7.123 1.00 0.70 H new ATOM 674 N VAL A 48 -2.025 2.878 -3.623 1.00 0.26 N ATOM 675 CA VAL A 48 -1.191 2.590 -4.785 1.00 0.25 C ATOM 676 C VAL A 48 -2.032 2.469 -6.052 1.00 0.28 C ATOM 677 O VAL A 48 -3.092 1.841 -6.048 1.00 0.39 O ATOM 678 CB VAL A 48 -0.390 1.288 -4.587 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.504 1.014 -5.787 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.431 1.360 -3.311 1.00 0.29 C ATOM 0 H VAL A 48 -2.289 2.055 -3.082 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.498 3.424 -4.893 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.096 0.462 -4.497 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.059 0.090 -5.624 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.109 0.915 -6.683 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.204 1.840 -5.916 1.00 0.29 H new ATOM 0 HG21 VAL A 48 0.991 0.433 -3.186 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.126 2.198 -3.372 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.233 1.501 -2.458 1.00 0.29 H new ATOM 690 N LYS A 49 -1.546 3.070 -7.135 1.00 0.31 N ATOM 691 CA LYS A 49 -2.246 3.035 -8.414 1.00 0.38 C ATOM 692 C LYS A 49 -1.333 2.514 -9.519 1.00 0.32 C ATOM 693 O LYS A 49 -1.800 1.966 -10.518 1.00 0.37 O ATOM 694 CB LYS A 49 -2.759 4.432 -8.770 1.00 0.49 C ATOM 695 CG LYS A 49 -3.600 4.473 -10.038 1.00 0.61 C ATOM 696 CD LYS A 49 -4.132 5.872 -10.314 1.00 0.84 C ATOM 697 CE LYS A 49 -3.016 6.838 -10.679 1.00 1.65 C ATOM 698 NZ LYS A 49 -3.523 8.224 -10.875 1.00 2.40 N ATOM 0 H LYS A 49 -0.668 3.588 -7.151 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.094 2.356 -8.323 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -3.352 4.814 -7.939 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.908 5.102 -8.888 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -3.000 4.138 -10.884 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.434 3.778 -9.944 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -4.858 5.831 -11.126 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -4.659 6.241 -9.434 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -2.262 6.835 -9.892 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -2.526 6.498 -11.591 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -2.731 8.851 -11.122 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -4.224 8.232 -11.643 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -3.968 8.558 -9.997 1.00 2.40 H new ATOM 712 N SER A 50 -0.026 2.689 -9.334 1.00 0.28 N ATOM 713 CA SER A 50 0.953 2.235 -10.315 1.00 0.35 C ATOM 714 C SER A 50 2.127 1.541 -9.631 1.00 0.28 C ATOM 715 O SER A 50 2.253 1.577 -8.407 1.00 0.25 O ATOM 716 CB SER A 50 1.455 3.415 -11.150 1.00 0.49 C ATOM 717 OG SER A 50 2.391 2.989 -12.125 1.00 1.28 O ATOM 0 H SER A 50 0.378 3.142 -8.514 1.00 0.28 H new ATOM 0 HA SER A 50 0.465 1.517 -10.974 1.00 0.35 H new ATOM 0 HB2 SER A 50 0.612 3.903 -11.639 1.00 0.49 H new ATOM 0 HB3 SER A 50 1.917 4.156 -10.497 1.00 0.49 H new ATOM 0 HG SER A 50 2.695 3.761 -12.646 1.00 1.28 H new ATOM 723 N LEU A 51 2.984 0.912 -10.430 1.00 0.32 N ATOM 724 CA LEU A 51 4.147 0.204 -9.903 1.00 0.27 C ATOM 725 C LEU A 51 5.359 0.392 -10.812 1.00 0.27 C ATOM 726 O LEU A 51 5.220 0.746 -11.982 1.00 0.42 O ATOM 727 CB LEU A 51 3.834 -1.287 -9.756 1.00 0.30 C ATOM 728 CG LEU A 51 2.693 -1.620 -8.791 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.287 -3.079 -8.930 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.099 -1.315 -7.357 1.00 0.32 C ATOM 0 H LEU A 51 2.895 0.878 -11.446 1.00 0.32 H new ATOM 0 HA LEU A 51 4.383 0.621 -8.924 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.587 -1.689 -10.739 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.735 -1.800 -9.419 1.00 0.30 H new ATOM 0 HG LEU A 51 1.835 -0.997 -9.045 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.475 -3.298 -8.237 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.954 -3.268 -9.950 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.141 -3.717 -8.702 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.275 -1.558 -6.686 1.00 0.32 H new ATOM 0 HD22 LEU A 51 3.972 -1.912 -7.091 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.342 -0.256 -7.265 1.00 0.32 H new ATOM 742 N ILE A 52 6.549 0.156 -10.263 1.00 0.24 N ATOM 743 CA ILE A 52 7.786 0.296 -11.024 1.00 0.24 C ATOM 744 C ILE A 52 8.385 -1.073 -11.349 1.00 0.23 C ATOM 745 O ILE A 52 9.003 -1.702 -10.488 1.00 0.28 O ATOM 746 CB ILE A 52 8.828 1.131 -10.260 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.243 2.500 -9.904 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.095 1.284 -11.093 1.00 0.31 C ATOM 749 CD1 ILE A 52 9.209 3.403 -9.172 1.00 1.26 C ATOM 0 H ILE A 52 6.681 -0.133 -9.294 1.00 0.24 H new ATOM 0 HA ILE A 52 7.532 0.811 -11.950 1.00 0.24 H new ATOM 0 HB ILE A 52 9.088 0.616 -9.335 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.919 2.996 -10.819 1.00 0.36 H new ATOM 0 HG13 ILE A 52 7.356 2.357 -9.288 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.824 1.877 -10.541 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.513 0.300 -11.304 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.856 1.785 -12.031 1.00 0.31 H new ATOM 0 HD11 ILE A 52 8.724 4.354 -8.954 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.515 2.929 -8.239 1.00 1.26 H new ATOM 0 HD13 ILE A 52 10.086 3.578 -9.795 1.00 1.26 H new ATOM 761 N PRO A 53 8.211 -1.556 -12.596 1.00 0.31 N ATOM 762 CA PRO A 53 8.743 -2.859 -13.017 1.00 0.35 C ATOM 763 C PRO A 53 10.240 -2.988 -12.748 1.00 0.34 C ATOM 764 O PRO A 53 11.010 -2.063 -13.008 1.00 0.46 O ATOM 765 CB PRO A 53 8.468 -2.888 -14.522 1.00 0.43 C ATOM 766 CG PRO A 53 7.318 -1.961 -14.716 1.00 0.82 C ATOM 767 CD PRO A 53 7.485 -0.879 -13.687 1.00 0.47 C ATOM 0 HA PRO A 53 8.282 -3.682 -12.470 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.339 -2.562 -15.090 1.00 0.43 H new ATOM 0 HB3 PRO A 53 8.226 -3.895 -14.861 1.00 0.43 H new ATOM 0 HG2 PRO A 53 7.317 -1.545 -15.724 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.370 -2.482 -14.585 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.049 -0.033 -14.081 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.523 -0.492 -13.351 1.00 0.47 H new ATOM 775 N GLY A 54 10.644 -4.143 -12.225 1.00 0.39 N ATOM 776 CA GLY A 54 12.047 -4.376 -11.932 1.00 0.41 C ATOM 777 C GLY A 54 12.379 -4.179 -10.465 1.00 0.39 C ATOM 778 O GLY A 54 13.461 -4.555 -10.014 1.00 0.49 O ATOM 0 H GLY A 54 10.024 -4.921 -11.999 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.312 -5.391 -12.227 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.656 -3.700 -12.532 1.00 0.41 H new ATOM 782 N SER A 55 11.449 -3.592 -9.719 1.00 0.35 N ATOM 783 CA SER A 55 11.654 -3.349 -8.296 1.00 0.35 C ATOM 784 C SER A 55 11.208 -4.549 -7.466 1.00 0.32 C ATOM 785 O SER A 55 10.729 -5.543 -8.007 1.00 0.36 O ATOM 786 CB SER A 55 10.896 -2.095 -7.854 1.00 0.37 C ATOM 787 OG SER A 55 11.348 -0.952 -8.559 1.00 1.23 O ATOM 0 H SER A 55 10.547 -3.276 -10.076 1.00 0.35 H new ATOM 0 HA SER A 55 12.720 -3.195 -8.132 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.828 -2.233 -8.024 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.031 -1.943 -6.783 1.00 0.37 H new ATOM 0 HG SER A 55 10.803 -0.827 -9.364 1.00 1.23 H new ATOM 793 N ALA A 56 11.366 -4.447 -6.151 1.00 0.35 N ATOM 794 CA ALA A 56 10.984 -5.529 -5.250 1.00 0.36 C ATOM 795 C ALA A 56 9.481 -5.793 -5.300 1.00 0.32 C ATOM 796 O ALA A 56 9.047 -6.921 -5.537 1.00 0.34 O ATOM 797 CB ALA A 56 11.416 -5.206 -3.828 1.00 0.42 C ATOM 0 H ALA A 56 11.755 -3.627 -5.685 1.00 0.35 H new ATOM 0 HA ALA A 56 11.493 -6.435 -5.580 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.125 -6.021 -3.165 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.498 -5.081 -3.796 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.935 -4.284 -3.502 1.00 0.42 H new ATOM 803 N ALA A 57 8.695 -4.745 -5.075 1.00 0.30 N ATOM 804 CA ALA A 57 7.239 -4.856 -5.084 1.00 0.30 C ATOM 805 C ALA A 57 6.727 -5.476 -6.382 1.00 0.30 C ATOM 806 O ALA A 57 5.903 -6.390 -6.360 1.00 0.35 O ATOM 807 CB ALA A 57 6.608 -3.489 -4.870 1.00 0.32 C ATOM 0 H ALA A 57 9.043 -3.805 -4.883 1.00 0.30 H new ATOM 0 HA ALA A 57 6.952 -5.517 -4.266 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.522 -3.584 -4.879 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.929 -3.086 -3.909 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.920 -2.815 -5.668 1.00 0.32 H new ATOM 813 N ALA A 58 7.218 -4.974 -7.512 1.00 0.31 N ATOM 814 CA ALA A 58 6.800 -5.474 -8.819 1.00 0.33 C ATOM 815 C ALA A 58 7.191 -6.938 -9.014 1.00 0.34 C ATOM 816 O ALA A 58 6.341 -7.788 -9.280 1.00 0.44 O ATOM 817 CB ALA A 58 7.398 -4.617 -9.925 1.00 0.37 C ATOM 0 H ALA A 58 7.906 -4.222 -7.549 1.00 0.31 H new ATOM 0 HA ALA A 58 5.713 -5.413 -8.866 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.079 -5.000 -10.895 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.058 -3.588 -9.812 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.486 -4.649 -9.862 1.00 0.37 H new ATOM 823 N LEU A 59 8.484 -7.225 -8.881 1.00 0.35 N ATOM 824 CA LEU A 59 8.992 -8.583 -9.052 1.00 0.39 C ATOM 825 C LEU A 59 8.355 -9.549 -8.056 1.00 0.42 C ATOM 826 O LEU A 59 8.359 -10.762 -8.268 1.00 0.57 O ATOM 827 CB LEU A 59 10.514 -8.605 -8.891 1.00 0.47 C ATOM 828 CG LEU A 59 11.287 -7.770 -9.915 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.755 -7.679 -9.526 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.139 -8.361 -11.308 1.00 0.61 C ATOM 0 H LEU A 59 9.199 -6.534 -8.655 1.00 0.35 H new ATOM 0 HA LEU A 59 8.728 -8.909 -10.058 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.763 -8.248 -7.892 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.856 -9.638 -8.955 1.00 0.47 H new ATOM 0 HG LEU A 59 10.869 -6.763 -9.925 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.291 -7.082 -10.264 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.843 -7.209 -8.546 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.184 -8.680 -9.488 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.695 -7.754 -12.022 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.530 -9.378 -11.315 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.085 -8.375 -11.587 1.00 0.61 H new ATOM 842 N ASP A 60 7.811 -9.007 -6.970 1.00 0.44 N ATOM 843 CA ASP A 60 7.176 -9.830 -5.946 1.00 0.52 C ATOM 844 C ASP A 60 6.029 -10.643 -6.534 1.00 0.61 C ATOM 845 O ASP A 60 5.930 -11.850 -6.310 1.00 0.79 O ATOM 846 CB ASP A 60 6.662 -8.955 -4.802 1.00 0.74 C ATOM 847 CG ASP A 60 6.082 -9.774 -3.666 1.00 1.08 C ATOM 848 OD1 ASP A 60 4.866 -10.057 -3.698 1.00 1.86 O ATOM 849 OD2 ASP A 60 6.845 -10.134 -2.744 1.00 1.32 O ATOM 0 H ASP A 60 7.797 -8.006 -6.777 1.00 0.44 H new ATOM 0 HA ASP A 60 7.925 -10.520 -5.557 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.478 -8.340 -4.423 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.900 -8.275 -5.182 1.00 0.74 H new ATOM 854 N GLY A 61 5.164 -9.973 -7.289 1.00 0.72 N ATOM 855 CA GLY A 61 4.036 -10.648 -7.903 1.00 1.06 C ATOM 856 C GLY A 61 2.738 -10.415 -7.156 1.00 0.83 C ATOM 857 O GLY A 61 1.721 -10.078 -7.760 1.00 0.94 O ATOM 0 H GLY A 61 5.224 -8.974 -7.486 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.926 -10.302 -8.931 1.00 1.06 H new ATOM 0 HA3 GLY A 61 4.238 -11.718 -7.947 1.00 1.06 H new ATOM 861 N ARG A 62 2.772 -10.596 -5.838 1.00 0.63 N ATOM 862 CA ARG A 62 1.585 -10.404 -5.012 1.00 0.59 C ATOM 863 C ARG A 62 1.141 -8.944 -5.027 1.00 0.52 C ATOM 864 O ARG A 62 -0.026 -8.639 -4.779 1.00 0.69 O ATOM 865 CB ARG A 62 1.859 -10.854 -3.574 1.00 0.67 C ATOM 866 CG ARG A 62 2.296 -12.306 -3.463 1.00 0.81 C ATOM 867 CD ARG A 62 2.555 -12.703 -2.018 1.00 1.05 C ATOM 868 NE ARG A 62 1.363 -12.552 -1.186 1.00 1.31 N ATOM 869 CZ ARG A 62 1.345 -12.776 0.125 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.451 -13.147 0.755 1.00 2.26 N ATOM 871 NH2 ARG A 62 0.218 -12.629 0.808 1.00 2.59 N ATOM 0 H ARG A 62 3.606 -10.874 -5.321 1.00 0.63 H new ATOM 0 HA ARG A 62 0.782 -11.012 -5.428 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.632 -10.217 -3.144 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.958 -10.708 -2.979 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.526 -12.952 -3.886 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.201 -12.460 -4.051 1.00 0.81 H new ATOM 0 HD2 ARG A 62 2.893 -13.738 -1.982 1.00 1.05 H new ATOM 0 HD3 ARG A 62 3.360 -12.090 -1.612 1.00 1.05 H new ATOM 0 HE ARG A 62 0.496 -12.258 -1.636 1.00 1.31 H new ATOM 0 HH11 ARG A 62 3.321 -13.262 0.234 1.00 2.26 H new ATOM 0 HH12 ARG A 62 2.432 -13.318 1.760 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -0.636 -12.344 0.328 1.00 2.59 H new ATOM 0 HH22 ARG A 62 0.205 -12.801 1.813 1.00 2.59 H new ATOM 885 N ILE A 63 2.078 -8.047 -5.319 1.00 0.48 N ATOM 886 CA ILE A 63 1.779 -6.621 -5.369 1.00 0.48 C ATOM 887 C ILE A 63 1.043 -6.267 -6.657 1.00 0.49 C ATOM 888 O ILE A 63 1.659 -6.102 -7.711 1.00 0.59 O ATOM 889 CB ILE A 63 3.062 -5.771 -5.276 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.890 -6.177 -4.051 1.00 0.66 C ATOM 891 CG2 ILE A 63 2.715 -4.289 -5.224 1.00 0.66 C ATOM 892 CD1 ILE A 63 3.181 -5.964 -2.730 1.00 0.92 C ATOM 0 H ILE A 63 3.049 -8.282 -5.524 1.00 0.48 H new ATOM 0 HA ILE A 63 1.145 -6.398 -4.511 1.00 0.48 H new ATOM 0 HB ILE A 63 3.662 -5.952 -6.168 1.00 0.58 H new ATOM 0 HG12 ILE A 63 4.161 -7.229 -4.141 1.00 0.66 H new ATOM 0 HG13 ILE A 63 4.820 -5.608 -4.049 1.00 0.66 H new ATOM 0 HG21 ILE A 63 3.632 -3.703 -5.158 1.00 0.66 H new ATOM 0 HG22 ILE A 63 2.170 -4.011 -6.126 1.00 0.66 H new ATOM 0 HG23 ILE A 63 2.094 -4.091 -4.350 1.00 0.66 H new ATOM 0 HD11 ILE A 63 3.832 -6.275 -1.913 1.00 0.92 H new ATOM 0 HD12 ILE A 63 2.934 -4.908 -2.616 1.00 0.92 H new ATOM 0 HD13 ILE A 63 2.265 -6.555 -2.709 1.00 0.92 H new ATOM 904 N GLU A 64 -0.279 -6.155 -6.566 1.00 0.51 N ATOM 905 CA GLU A 64 -1.095 -5.822 -7.726 1.00 0.58 C ATOM 906 C GLU A 64 -1.627 -4.393 -7.618 1.00 0.56 C ATOM 907 O GLU A 64 -1.736 -3.848 -6.519 1.00 0.66 O ATOM 908 CB GLU A 64 -2.258 -6.809 -7.857 1.00 0.79 C ATOM 909 CG GLU A 64 -3.347 -6.617 -6.815 1.00 1.09 C ATOM 910 CD GLU A 64 -4.445 -7.657 -6.922 1.00 1.39 C ATOM 911 OE1 GLU A 64 -5.312 -7.517 -7.811 1.00 1.98 O ATOM 912 OE2 GLU A 64 -4.438 -8.613 -6.117 1.00 1.67 O ATOM 0 H GLU A 64 -0.806 -6.290 -5.703 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.471 -5.892 -8.617 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.697 -6.709 -8.850 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -1.870 -7.825 -7.781 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -2.905 -6.662 -5.820 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.781 -5.623 -6.927 1.00 1.09 H new ATOM 919 N PRO A 65 -1.965 -3.765 -8.759 1.00 0.56 N ATOM 920 CA PRO A 65 -2.488 -2.394 -8.778 1.00 0.64 C ATOM 921 C PRO A 65 -3.830 -2.278 -8.066 1.00 0.72 C ATOM 922 O PRO A 65 -4.421 -3.284 -7.669 1.00 1.44 O ATOM 923 CB PRO A 65 -2.649 -2.092 -10.273 1.00 0.77 C ATOM 924 CG PRO A 65 -2.761 -3.429 -10.916 1.00 0.83 C ATOM 925 CD PRO A 65 -1.873 -4.335 -10.115 1.00 0.62 C ATOM 0 HA PRO A 65 -1.827 -1.700 -8.259 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.535 -1.486 -10.462 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.794 -1.537 -10.660 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -3.792 -3.783 -10.908 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -2.445 -3.391 -11.958 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.218 -5.369 -10.144 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.849 -4.330 -10.487 1.00 0.62 H new ATOM 933 N ASN A 66 -4.305 -1.046 -7.906 1.00 0.60 N ATOM 934 CA ASN A 66 -5.582 -0.791 -7.247 1.00 0.59 C ATOM 935 C ASN A 66 -5.596 -1.358 -5.830 1.00 0.51 C ATOM 936 O ASN A 66 -6.223 -2.383 -5.565 1.00 0.73 O ATOM 937 CB ASN A 66 -6.731 -1.390 -8.061 1.00 0.66 C ATOM 938 CG ASN A 66 -6.796 -0.827 -9.467 1.00 1.34 C ATOM 939 OD1 ASN A 66 -6.425 0.323 -9.705 1.00 2.15 O ATOM 940 ND2 ASN A 66 -7.272 -1.635 -10.408 1.00 2.01 N ATOM 0 H ASN A 66 -3.823 -0.206 -8.225 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.714 0.289 -7.184 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.612 -2.472 -8.111 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.674 -1.196 -7.551 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -7.341 -1.310 -11.372 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.568 -2.581 -10.166 1.00 2.01 H new ATOM 947 N ASP A 67 -4.897 -0.684 -4.923 1.00 0.36 N ATOM 948 CA ASP A 67 -4.835 -1.113 -3.529 1.00 0.34 C ATOM 949 C ASP A 67 -4.665 0.089 -2.610 1.00 0.30 C ATOM 950 O ASP A 67 -4.096 1.106 -3.007 1.00 0.38 O ATOM 951 CB ASP A 67 -3.686 -2.101 -3.320 1.00 0.41 C ATOM 952 CG ASP A 67 -2.339 -1.508 -3.680 1.00 1.17 C ATOM 953 OD1 ASP A 67 -1.939 -1.614 -4.859 1.00 2.02 O ATOM 954 OD2 ASP A 67 -1.682 -0.939 -2.783 1.00 1.46 O ATOM 0 H ASP A 67 -4.365 0.162 -5.127 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.772 -1.613 -3.284 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.672 -2.422 -2.278 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.861 -2.991 -3.925 1.00 0.41 H new ATOM 959 N LYS A 68 -5.162 -0.028 -1.383 1.00 0.27 N ATOM 960 CA LYS A 68 -5.066 1.059 -0.417 1.00 0.28 C ATOM 961 C LYS A 68 -4.090 0.717 0.705 1.00 0.26 C ATOM 962 O LYS A 68 -4.326 -0.203 1.487 1.00 0.38 O ATOM 963 CB LYS A 68 -6.445 1.371 0.167 1.00 0.37 C ATOM 964 CG LYS A 68 -6.428 2.477 1.209 1.00 0.53 C ATOM 965 CD LYS A 68 -7.809 2.710 1.799 1.00 0.53 C ATOM 966 CE LYS A 68 -7.775 3.768 2.889 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.116 3.976 3.502 1.00 1.02 N ATOM 0 H LYS A 68 -5.634 -0.863 -1.035 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.690 1.939 -0.939 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.117 1.656 -0.642 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.853 0.466 0.617 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.731 2.217 2.005 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.065 3.399 0.756 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.496 3.019 1.011 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.194 1.776 2.208 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.065 3.471 3.661 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.417 4.709 2.471 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.051 4.705 4.241 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.788 4.284 2.770 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.447 3.085 3.924 1.00 1.02 H new ATOM 981 N ILE A 69 -2.993 1.466 0.774 1.00 0.24 N ATOM 982 CA ILE A 69 -1.984 1.250 1.805 1.00 0.21 C ATOM 983 C ILE A 69 -2.514 1.672 3.171 1.00 0.21 C ATOM 984 O ILE A 69 -3.200 2.687 3.293 1.00 0.29 O ATOM 985 CB ILE A 69 -0.692 2.037 1.506 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.148 1.674 0.122 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.355 1.770 2.581 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.270 0.224 -0.013 1.00 0.28 C ATOM 0 H ILE A 69 -2.781 2.227 0.129 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.754 0.184 1.811 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.928 3.101 1.512 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.910 1.893 -0.626 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.708 2.311 -0.099 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.261 2.333 2.355 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.032 2.081 3.551 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.587 0.705 2.607 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.644 0.046 -1.021 1.00 0.28 H new ATOM 0 HD12 ILE A 69 1.055 0.003 0.710 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.588 -0.421 0.175 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.193 0.888 4.195 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.643 1.185 5.549 1.00 0.21 C ATOM 1002 C LEU A 70 -1.464 1.460 6.476 1.00 0.20 C ATOM 1003 O LEU A 70 -1.303 2.573 6.979 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.481 0.027 6.096 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.743 -0.299 5.294 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.445 -1.517 5.874 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.684 0.896 5.270 1.00 0.38 C ATOM 0 H LEU A 70 -1.625 0.045 4.113 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.259 2.084 5.507 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.856 -0.865 6.138 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.771 0.261 7.120 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.449 -0.527 4.269 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.340 -1.733 5.291 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.773 -2.375 5.840 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.726 -1.317 6.908 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.576 0.645 4.695 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.970 1.154 6.290 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.181 1.746 4.808 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.638 0.441 6.702 1.00 0.20 N ATOM 1020 CA ARG A 71 0.518 0.582 7.583 1.00 0.25 C ATOM 1021 C ARG A 71 1.732 -0.170 7.043 1.00 0.18 C ATOM 1022 O ARG A 71 1.624 -1.314 6.605 1.00 0.26 O ATOM 1023 CB ARG A 71 0.178 0.064 8.982 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.018 0.752 9.616 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.413 0.088 10.926 1.00 0.77 C ATOM 1026 NE ARG A 71 -0.374 0.222 11.943 1.00 1.38 N ATOM 1027 CZ ARG A 71 -0.453 -0.317 13.156 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.514 -1.037 13.497 1.00 1.17 N ATOM 1029 NH2 ARG A 71 0.529 -0.138 14.029 1.00 2.61 N ATOM 0 H ARG A 71 -0.747 -0.486 6.290 1.00 0.20 H new ATOM 0 HA ARG A 71 0.768 1.642 7.632 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.019 -1.007 8.925 1.00 0.38 H new ATOM 0 HB3 ARG A 71 1.046 0.195 9.629 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.783 1.801 9.795 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.861 0.728 8.926 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -2.338 0.532 11.293 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.614 -0.969 10.750 1.00 0.77 H new ATOM 0 HE ARG A 71 0.461 0.760 11.710 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -2.271 -1.178 12.828 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.573 -1.450 14.428 1.00 1.17 H new ATOM 0 HH21 ARG A 71 1.347 0.414 13.771 1.00 2.61 H new ATOM 0 HH22 ARG A 71 0.466 -0.552 14.959 1.00 2.61 H new ATOM 1043 N VAL A 72 2.885 0.489 7.079 1.00 0.21 N ATOM 1044 CA VAL A 72 4.133 -0.112 6.623 1.00 0.17 C ATOM 1045 C VAL A 72 4.821 -0.815 7.793 1.00 0.17 C ATOM 1046 O VAL A 72 4.335 -0.755 8.921 1.00 0.20 O ATOM 1047 CB VAL A 72 5.079 0.955 6.024 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.223 0.312 5.251 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.305 1.912 5.130 1.00 0.28 C ATOM 0 H VAL A 72 2.981 1.445 7.421 1.00 0.21 H new ATOM 0 HA VAL A 72 3.900 -0.837 5.843 1.00 0.17 H new ATOM 0 HB VAL A 72 5.510 1.519 6.851 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.869 1.090 4.843 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.801 -0.326 5.920 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.819 -0.289 4.436 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.986 2.656 4.717 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.840 1.355 4.317 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.533 2.412 5.715 1.00 0.28 H new ATOM 1059 N ASP A 73 5.926 -1.502 7.523 1.00 0.18 N ATOM 1060 CA ASP A 73 6.672 -2.201 8.568 1.00 0.21 C ATOM 1061 C ASP A 73 6.901 -1.311 9.791 1.00 0.22 C ATOM 1062 O ASP A 73 7.689 -0.366 9.742 1.00 0.23 O ATOM 1063 CB ASP A 73 8.020 -2.672 8.023 1.00 0.26 C ATOM 1064 CG ASP A 73 8.737 -3.605 8.978 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.464 -4.823 8.935 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.572 -3.117 9.768 1.00 0.56 O ATOM 0 H ASP A 73 6.327 -1.591 6.589 1.00 0.18 H new ATOM 0 HA ASP A 73 6.077 -3.060 8.879 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.866 -3.180 7.071 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.651 -1.806 7.824 1.00 0.26 H new ATOM 1071 N ASP A 74 6.209 -1.624 10.885 1.00 0.25 N ATOM 1072 CA ASP A 74 6.337 -0.869 12.132 1.00 0.29 C ATOM 1073 C ASP A 74 6.092 0.625 11.918 1.00 0.25 C ATOM 1074 O ASP A 74 6.596 1.460 12.670 1.00 0.29 O ATOM 1075 CB ASP A 74 7.723 -1.088 12.742 1.00 0.35 C ATOM 1076 CG ASP A 74 7.993 -2.547 13.056 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.501 -3.032 14.097 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.696 -3.206 12.261 1.00 2.01 O ATOM 0 H ASP A 74 5.549 -2.401 10.934 1.00 0.25 H new ATOM 0 HA ASP A 74 5.575 -1.237 12.819 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.483 -0.721 12.052 1.00 0.35 H new ATOM 0 HB3 ASP A 74 7.812 -0.500 13.656 1.00 0.35 H new ATOM 1083 N VAL A 75 5.315 0.953 10.891 1.00 0.27 N ATOM 1084 CA VAL A 75 4.998 2.341 10.575 1.00 0.27 C ATOM 1085 C VAL A 75 3.558 2.467 10.082 1.00 0.37 C ATOM 1086 O VAL A 75 3.002 1.524 9.522 1.00 0.79 O ATOM 1087 CB VAL A 75 5.954 2.911 9.503 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.619 4.362 9.190 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.402 2.785 9.952 1.00 0.41 C ATOM 0 H VAL A 75 4.891 0.272 10.260 1.00 0.27 H new ATOM 0 HA VAL A 75 5.121 2.915 11.493 1.00 0.27 H new ATOM 0 HB VAL A 75 5.822 2.327 8.592 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.307 4.739 8.433 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.597 4.427 8.817 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.713 4.961 10.096 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.058 3.192 9.183 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.544 3.338 10.880 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.642 1.734 10.115 1.00 0.41 H new ATOM 1099 N ASN A 76 2.959 3.633 10.301 1.00 0.30 N ATOM 1100 CA ASN A 76 1.586 3.881 9.875 1.00 0.37 C ATOM 1101 C ASN A 76 1.524 5.067 8.916 1.00 0.42 C ATOM 1102 O ASN A 76 2.080 6.129 9.194 1.00 0.58 O ATOM 1103 CB ASN A 76 0.694 4.139 11.092 1.00 0.46 C ATOM 1104 CG ASN A 76 -0.701 4.588 10.704 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -1.600 3.768 10.517 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -0.888 5.897 10.581 1.00 2.08 N ATOM 0 H ASN A 76 3.403 4.422 10.771 1.00 0.30 H new ATOM 0 HA ASN A 76 1.223 2.996 9.352 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.627 3.229 11.689 1.00 0.46 H new ATOM 0 HB3 ASN A 76 1.155 4.900 11.722 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -1.806 6.259 10.322 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -0.114 6.540 10.746 1.00 2.08 H new ATOM 1113 N VAL A 77 0.840 4.881 7.788 1.00 0.35 N ATOM 1114 CA VAL A 77 0.716 5.937 6.788 1.00 0.43 C ATOM 1115 C VAL A 77 -0.708 6.480 6.724 1.00 0.53 C ATOM 1116 O VAL A 77 -1.091 7.132 5.753 1.00 0.67 O ATOM 1117 CB VAL A 77 1.120 5.437 5.388 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.558 4.944 5.389 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.176 4.342 4.918 1.00 0.53 C ATOM 0 H VAL A 77 0.365 4.011 7.545 1.00 0.35 H new ATOM 0 HA VAL A 77 1.392 6.735 7.094 1.00 0.43 H new ATOM 0 HB VAL A 77 1.047 6.272 4.692 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.824 4.595 4.391 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.222 5.759 5.677 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.661 4.124 6.099 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.478 4.002 3.927 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.213 3.505 5.616 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.841 4.732 4.873 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.488 6.208 7.764 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.868 6.670 7.820 1.00 0.72 C ATOM 1131 C GLN A 78 -2.950 8.087 8.382 1.00 0.61 C ATOM 1132 O GLN A 78 -3.951 8.465 8.992 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.711 5.718 8.671 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.755 4.298 8.130 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.324 4.225 6.725 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.592 4.322 5.740 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -5.638 4.053 6.626 1.00 1.05 N ATOM 0 H GLN A 78 -1.188 5.671 8.578 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.261 6.683 6.804 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.312 5.700 9.685 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.728 6.105 8.736 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.748 3.881 8.132 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.358 3.679 8.794 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.207 3.977 7.469 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.077 3.996 5.707 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.893 8.867 8.171 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.872 10.231 8.666 1.00 0.48 C ATOM 1148 C GLY A 79 -0.603 10.975 8.296 1.00 0.41 C ATOM 1149 O GLY A 79 -0.271 11.988 8.912 1.00 0.55 O ATOM 0 H GLY A 79 -1.054 8.579 7.668 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.732 10.770 8.268 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.977 10.220 9.751 1.00 0.48 H new ATOM 1153 N MET A 80 0.110 10.476 7.290 1.00 0.32 N ATOM 1154 CA MET A 80 1.349 11.108 6.845 1.00 0.33 C ATOM 1155 C MET A 80 1.230 11.567 5.395 1.00 0.30 C ATOM 1156 O MET A 80 0.560 10.928 4.585 1.00 0.34 O ATOM 1157 CB MET A 80 2.526 10.143 6.992 1.00 0.39 C ATOM 1158 CG MET A 80 2.679 9.577 8.396 1.00 0.46 C ATOM 1159 SD MET A 80 4.242 8.707 8.630 1.00 0.52 S ATOM 1160 CE MET A 80 4.172 7.505 7.303 1.00 0.48 C ATOM 0 H MET A 80 -0.148 9.638 6.769 1.00 0.32 H new ATOM 0 HA MET A 80 1.528 11.980 7.473 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.400 9.319 6.289 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.445 10.660 6.716 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.608 10.389 9.120 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.854 8.894 8.600 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.177 6.499 7.723 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.259 7.653 6.726 1.00 0.48 H new ATOM 0 HE3 MET A 80 5.037 7.631 6.652 1.00 0.48 H new ATOM 1170 N ALA A 81 1.885 12.681 5.078 1.00 0.29 N ATOM 1171 CA ALA A 81 1.852 13.229 3.728 1.00 0.31 C ATOM 1172 C ALA A 81 2.459 12.253 2.725 1.00 0.26 C ATOM 1173 O ALA A 81 3.270 11.404 3.091 1.00 0.23 O ATOM 1174 CB ALA A 81 2.583 14.562 3.680 1.00 0.39 C ATOM 0 H ALA A 81 2.444 13.221 5.739 1.00 0.29 H new ATOM 0 HA ALA A 81 0.810 13.390 3.454 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.550 14.959 2.665 1.00 0.39 H new ATOM 0 HB2 ALA A 81 2.103 15.265 4.360 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.621 14.419 3.980 1.00 0.39 H new ATOM 1180 N GLN A 82 2.062 12.379 1.462 1.00 0.33 N ATOM 1181 CA GLN A 82 2.563 11.500 0.408 1.00 0.35 C ATOM 1182 C GLN A 82 4.089 11.453 0.408 1.00 0.31 C ATOM 1183 O GLN A 82 4.687 10.384 0.545 1.00 0.31 O ATOM 1184 CB GLN A 82 2.053 11.968 -0.958 1.00 0.42 C ATOM 1185 CG GLN A 82 2.508 11.092 -2.115 1.00 0.51 C ATOM 1186 CD GLN A 82 1.970 11.565 -3.452 1.00 0.76 C ATOM 1187 OE1 GLN A 82 0.808 11.051 -3.839 1.00 1.52 O flip ATOM 1188 NE2 GLN A 82 2.592 12.382 -4.130 1.00 0.74 N flip ATOM 0 H GLN A 82 1.395 13.081 1.143 1.00 0.33 H new ATOM 0 HA GLN A 82 2.192 10.494 0.604 1.00 0.35 H new ATOM 0 HB2 GLN A 82 0.963 11.993 -0.940 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.392 12.989 -1.132 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.597 11.080 -2.150 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.183 10.067 -1.939 1.00 0.51 H new ATOM 0 HE21 GLN A 82 3.482 12.751 -3.794 1.00 0.74 H new ATOM 0 HE22 GLN A 82 2.218 12.690 -5.028 1.00 0.74 H new ATOM 1197 N SER A 83 4.711 12.619 0.261 1.00 0.32 N ATOM 1198 CA SER A 83 6.167 12.719 0.241 1.00 0.35 C ATOM 1199 C SER A 83 6.784 12.082 1.484 1.00 0.30 C ATOM 1200 O SER A 83 7.835 11.446 1.408 1.00 0.35 O ATOM 1201 CB SER A 83 6.592 14.186 0.142 1.00 0.44 C ATOM 1202 OG SER A 83 8.003 14.311 0.136 1.00 1.48 O ATOM 0 H SER A 83 4.228 13.511 0.154 1.00 0.32 H new ATOM 0 HA SER A 83 6.529 12.177 -0.633 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.181 14.626 -0.767 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.178 14.745 0.982 1.00 0.44 H new ATOM 0 HG SER A 83 8.247 15.258 0.070 1.00 1.48 H new ATOM 1208 N ASP A 84 6.124 12.256 2.625 1.00 0.24 N ATOM 1209 CA ASP A 84 6.609 11.697 3.882 1.00 0.24 C ATOM 1210 C ASP A 84 6.688 10.175 3.803 1.00 0.20 C ATOM 1211 O ASP A 84 7.678 9.572 4.219 1.00 0.24 O ATOM 1212 CB ASP A 84 5.698 12.113 5.039 1.00 0.27 C ATOM 1213 CG ASP A 84 6.184 11.590 6.375 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.913 10.412 6.686 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.836 12.360 7.112 1.00 0.97 O ATOM 0 H ASP A 84 5.252 12.779 2.705 1.00 0.24 H new ATOM 0 HA ASP A 84 7.610 12.088 4.062 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.639 13.201 5.078 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.689 11.745 4.853 1.00 0.27 H new ATOM 1220 N VAL A 85 5.636 9.560 3.269 1.00 0.19 N ATOM 1221 CA VAL A 85 5.589 8.110 3.132 1.00 0.22 C ATOM 1222 C VAL A 85 6.734 7.612 2.255 1.00 0.21 C ATOM 1223 O VAL A 85 7.275 6.529 2.479 1.00 0.24 O ATOM 1224 CB VAL A 85 4.249 7.642 2.531 1.00 0.27 C ATOM 1225 CG1 VAL A 85 4.186 6.123 2.479 1.00 0.32 C ATOM 1226 CG2 VAL A 85 3.082 8.204 3.326 1.00 0.30 C ATOM 0 H VAL A 85 4.807 10.044 2.925 1.00 0.19 H new ATOM 0 HA VAL A 85 5.689 7.690 4.133 1.00 0.22 H new ATOM 0 HB VAL A 85 4.179 8.019 1.511 1.00 0.27 H new ATOM 0 HG11 VAL A 85 3.232 5.813 2.052 1.00 0.32 H new ATOM 0 HG12 VAL A 85 5.001 5.746 1.861 1.00 0.32 H new ATOM 0 HG13 VAL A 85 4.280 5.720 3.487 1.00 0.32 H new ATOM 0 HG21 VAL A 85 2.145 7.863 2.887 1.00 0.30 H new ATOM 0 HG22 VAL A 85 3.146 7.860 4.358 1.00 0.30 H new ATOM 0 HG23 VAL A 85 3.118 9.293 3.304 1.00 0.30 H new ATOM 1236 N VAL A 86 7.101 8.415 1.259 1.00 0.22 N ATOM 1237 CA VAL A 86 8.184 8.059 0.353 1.00 0.25 C ATOM 1238 C VAL A 86 9.507 7.977 1.107 1.00 0.24 C ATOM 1239 O VAL A 86 10.289 7.046 0.909 1.00 0.26 O ATOM 1240 CB VAL A 86 8.316 9.077 -0.798 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.420 8.663 -1.758 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.992 9.226 -1.531 1.00 0.34 C ATOM 0 H VAL A 86 6.663 9.315 1.061 1.00 0.22 H new ATOM 0 HA VAL A 86 7.944 7.084 -0.071 1.00 0.25 H new ATOM 0 HB VAL A 86 8.583 10.044 -0.372 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.496 9.395 -2.562 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.368 8.613 -1.222 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.188 7.684 -2.179 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.103 9.948 -2.340 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.694 8.262 -1.943 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.228 9.575 -0.836 1.00 0.34 H new ATOM 1252 N GLU A 87 9.749 8.956 1.976 1.00 0.25 N ATOM 1253 CA GLU A 87 10.974 8.992 2.766 1.00 0.26 C ATOM 1254 C GLU A 87 11.111 7.726 3.603 1.00 0.24 C ATOM 1255 O GLU A 87 12.197 7.159 3.717 1.00 0.26 O ATOM 1256 CB GLU A 87 10.988 10.223 3.675 1.00 0.32 C ATOM 1257 CG GLU A 87 11.023 11.539 2.918 1.00 0.75 C ATOM 1258 CD GLU A 87 11.041 12.742 3.841 1.00 1.04 C ATOM 1259 OE1 GLU A 87 12.144 13.146 4.269 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.954 13.278 4.137 1.00 1.51 O ATOM 0 H GLU A 87 9.112 9.734 2.150 1.00 0.25 H new ATOM 0 HA GLU A 87 11.819 9.050 2.080 1.00 0.26 H new ATOM 0 HB2 GLU A 87 10.104 10.204 4.312 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.856 10.169 4.332 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.906 11.563 2.279 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.154 11.601 2.264 1.00 0.75 H new ATOM 1267 N VAL A 88 9.998 7.291 4.187 1.00 0.22 N ATOM 1268 CA VAL A 88 9.984 6.088 5.011 1.00 0.22 C ATOM 1269 C VAL A 88 10.491 4.882 4.228 1.00 0.23 C ATOM 1270 O VAL A 88 11.393 4.172 4.675 1.00 0.25 O ATOM 1271 CB VAL A 88 8.567 5.787 5.537 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.503 4.395 6.152 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.136 6.843 6.545 1.00 0.27 C ATOM 0 H VAL A 88 9.093 7.755 4.104 1.00 0.22 H new ATOM 0 HA VAL A 88 10.646 6.273 5.857 1.00 0.22 H new ATOM 0 HB VAL A 88 7.876 5.816 4.694 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.494 4.204 6.517 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.763 3.652 5.398 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.207 4.331 6.982 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.133 6.614 6.905 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.831 6.849 7.385 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.135 7.823 6.067 1.00 0.27 H new ATOM 1283 N LEU A 89 9.901 4.656 3.058 1.00 0.24 N ATOM 1284 CA LEU A 89 10.285 3.533 2.212 1.00 0.28 C ATOM 1285 C LEU A 89 11.784 3.551 1.930 1.00 0.32 C ATOM 1286 O LEU A 89 12.422 2.501 1.850 1.00 0.39 O ATOM 1287 CB LEU A 89 9.507 3.572 0.895 1.00 0.32 C ATOM 1288 CG LEU A 89 7.984 3.534 1.041 1.00 0.34 C ATOM 1289 CD1 LEU A 89 7.312 3.776 -0.301 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.538 2.203 1.629 1.00 0.35 C ATOM 0 H LEU A 89 9.155 5.236 2.675 1.00 0.24 H new ATOM 0 HA LEU A 89 10.045 2.612 2.743 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.782 4.478 0.355 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.819 2.727 0.281 1.00 0.32 H new ATOM 0 HG LEU A 89 7.684 4.330 1.723 1.00 0.34 H new ATOM 0 HD11 LEU A 89 6.230 3.745 -0.177 1.00 0.41 H new ATOM 0 HD12 LEU A 89 7.606 4.753 -0.684 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.618 3.003 -1.006 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.452 2.194 1.726 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.851 1.392 0.972 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.991 2.069 2.611 1.00 0.35 H new ATOM 1302 N ARG A 90 12.338 4.750 1.781 1.00 0.31 N ATOM 1303 CA ARG A 90 13.763 4.906 1.510 1.00 0.37 C ATOM 1304 C ARG A 90 14.586 4.653 2.768 1.00 0.37 C ATOM 1305 O ARG A 90 15.727 4.195 2.695 1.00 0.48 O ATOM 1306 CB ARG A 90 14.049 6.310 0.976 1.00 0.41 C ATOM 1307 CG ARG A 90 13.242 6.666 -0.260 1.00 0.49 C ATOM 1308 CD ARG A 90 13.526 8.086 -0.719 1.00 0.72 C ATOM 1309 NE ARG A 90 12.634 8.502 -1.798 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.953 9.418 -2.707 1.00 1.59 C ATOM 1311 NH1 ARG A 90 14.140 10.010 -2.668 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.086 9.744 -3.655 1.00 2.10 N ATOM 0 H ARG A 90 11.822 5.628 1.843 1.00 0.31 H new ATOM 0 HA ARG A 90 14.047 4.171 0.757 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.838 7.038 1.760 1.00 0.41 H new ATOM 0 HB3 ARG A 90 15.111 6.392 0.743 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.478 5.968 -1.064 1.00 0.49 H new ATOM 0 HG3 ARG A 90 12.179 6.557 -0.046 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.417 8.768 0.124 1.00 0.72 H new ATOM 0 HD3 ARG A 90 14.560 8.158 -1.056 1.00 0.72 H new ATOM 0 HE ARG A 90 11.714 8.065 -1.857 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.810 9.762 -1.940 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.383 10.713 -3.366 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.172 9.292 -3.688 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.332 10.447 -4.352 1.00 2.10 H new ATOM 1326 N ASN A 91 13.999 4.953 3.921 1.00 0.32 N ATOM 1327 CA ASN A 91 14.675 4.759 5.198 1.00 0.36 C ATOM 1328 C ASN A 91 14.726 3.281 5.571 1.00 0.36 C ATOM 1329 O ASN A 91 15.518 2.873 6.419 1.00 0.42 O ATOM 1330 CB ASN A 91 13.969 5.552 6.299 1.00 0.38 C ATOM 1331 CG ASN A 91 13.983 7.045 6.037 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.902 7.567 5.406 1.00 1.11 O ATOM 1333 ND2 ASN A 91 12.961 7.742 6.522 1.00 1.14 N ATOM 0 H ASN A 91 13.055 5.332 3.997 1.00 0.32 H new ATOM 0 HA ASN A 91 15.697 5.123 5.097 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.937 5.211 6.384 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.452 5.349 7.255 1.00 0.38 H new ATOM 0 HD21 ASN A 91 12.917 8.751 6.377 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.220 7.268 7.039 1.00 1.14 H new ATOM 1340 N ALA A 92 13.872 2.486 4.930 1.00 0.32 N ATOM 1341 CA ALA A 92 13.815 1.051 5.190 1.00 0.34 C ATOM 1342 C ALA A 92 15.192 0.404 5.052 1.00 0.46 C ATOM 1343 O ALA A 92 15.892 0.203 6.045 1.00 0.55 O ATOM 1344 CB ALA A 92 12.821 0.386 4.250 1.00 0.32 C ATOM 0 H ALA A 92 13.210 2.813 4.226 1.00 0.32 H new ATOM 0 HA ALA A 92 13.482 0.909 6.218 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.788 -0.684 4.454 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.831 0.816 4.404 1.00 0.32 H new ATOM 0 HB3 ALA A 92 13.131 0.549 3.218 1.00 0.32 H new ATOM 1350 N GLY A 93 15.577 0.082 3.821 1.00 0.53 N ATOM 1351 CA GLY A 93 16.867 -0.546 3.593 1.00 0.68 C ATOM 1352 C GLY A 93 16.949 -1.931 4.204 1.00 0.66 C ATOM 1353 O GLY A 93 18.028 -2.516 4.298 1.00 0.76 O ATOM 0 H GLY A 93 15.022 0.243 2.980 1.00 0.53 H new ATOM 0 HA2 GLY A 93 17.052 -0.613 2.521 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.653 0.081 4.013 1.00 0.68 H new ATOM 1357 N ASN A 94 15.802 -2.454 4.624 1.00 0.54 N ATOM 1358 CA ASN A 94 15.734 -3.776 5.237 1.00 0.54 C ATOM 1359 C ASN A 94 14.412 -4.464 4.886 1.00 0.43 C ATOM 1360 O ASN A 94 13.494 -3.820 4.376 1.00 0.39 O ATOM 1361 CB ASN A 94 15.865 -3.650 6.758 1.00 0.59 C ATOM 1362 CG ASN A 94 14.724 -2.859 7.364 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.593 -3.522 7.574 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 14.853 -1.665 7.633 1.00 2.52 N flip ATOM 0 H ASN A 94 14.902 -1.980 4.551 1.00 0.54 H new ATOM 0 HA ASN A 94 16.555 -4.381 4.852 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.893 -4.645 7.203 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.811 -3.166 7.001 1.00 0.59 H new ATOM 0 HD21 ASN A 94 15.741 -1.195 7.455 1.00 2.52 H new ATOM 0 HD22 ASN A 94 14.072 -1.145 8.034 1.00 2.52 H new ATOM 1371 N PRO A 95 14.299 -5.787 5.130 1.00 0.41 N ATOM 1372 CA PRO A 95 13.065 -6.532 4.855 1.00 0.35 C ATOM 1373 C PRO A 95 11.875 -5.930 5.597 1.00 0.32 C ATOM 1374 O PRO A 95 11.738 -6.100 6.808 1.00 0.45 O ATOM 1375 CB PRO A 95 13.364 -7.941 5.378 1.00 0.44 C ATOM 1376 CG PRO A 95 14.851 -8.043 5.378 1.00 0.64 C ATOM 1377 CD PRO A 95 15.361 -6.660 5.668 1.00 0.51 C ATOM 0 HA PRO A 95 12.798 -6.514 3.798 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.958 -8.085 6.379 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.916 -8.703 4.740 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.193 -8.751 6.132 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.218 -8.400 4.416 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.509 -6.502 6.736 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.319 -6.474 5.182 1.00 0.51 H new ATOM 1385 N VAL A 96 11.014 -5.228 4.865 1.00 0.28 N ATOM 1386 CA VAL A 96 9.851 -4.585 5.466 1.00 0.33 C ATOM 1387 C VAL A 96 8.554 -5.303 5.110 1.00 0.28 C ATOM 1388 O VAL A 96 8.457 -5.973 4.082 1.00 0.30 O ATOM 1389 CB VAL A 96 9.740 -3.111 5.030 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.883 -2.296 5.609 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.713 -3.001 3.513 1.00 0.38 C ATOM 0 H VAL A 96 11.100 -5.091 3.858 1.00 0.28 H new ATOM 0 HA VAL A 96 9.997 -4.637 6.545 1.00 0.33 H new ATOM 0 HB VAL A 96 8.804 -2.708 5.416 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.788 -1.258 5.290 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.851 -2.346 6.697 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.832 -2.698 5.256 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.634 -1.953 3.226 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.630 -3.422 3.101 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.855 -3.549 3.124 1.00 0.38 H new ATOM 1401 N ARG A 97 7.559 -5.152 5.977 1.00 0.24 N ATOM 1402 CA ARG A 97 6.256 -5.764 5.775 1.00 0.22 C ATOM 1403 C ARG A 97 5.257 -4.715 5.304 1.00 0.18 C ATOM 1404 O ARG A 97 5.299 -3.562 5.745 1.00 0.18 O ATOM 1405 CB ARG A 97 5.770 -6.410 7.075 1.00 0.27 C ATOM 1406 CG ARG A 97 4.431 -7.118 6.945 1.00 0.69 C ATOM 1407 CD ARG A 97 4.001 -7.739 8.265 1.00 0.71 C ATOM 1408 NE ARG A 97 2.712 -8.417 8.157 1.00 1.21 N ATOM 1409 CZ ARG A 97 2.098 -9.002 9.181 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.655 -8.999 10.384 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.924 -9.593 9.003 1.00 2.37 N ATOM 0 H ARG A 97 7.634 -4.605 6.834 1.00 0.24 H new ATOM 0 HA ARG A 97 6.343 -6.537 5.012 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.518 -7.126 7.415 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.691 -5.642 7.844 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.674 -6.409 6.611 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.500 -7.893 6.182 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.758 -8.450 8.595 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.939 -6.963 9.028 1.00 0.71 H new ATOM 0 HE ARG A 97 2.257 -8.443 7.244 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.558 -8.547 10.527 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.181 -9.449 11.167 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.491 -9.599 8.080 1.00 2.37 H new ATOM 0 HH22 ARG A 97 0.454 -10.041 9.790 1.00 2.37 H new ATOM 1425 N LEU A 98 4.363 -5.116 4.409 1.00 0.19 N ATOM 1426 CA LEU A 98 3.362 -4.205 3.874 1.00 0.18 C ATOM 1427 C LEU A 98 1.958 -4.632 4.289 1.00 0.18 C ATOM 1428 O LEU A 98 1.588 -5.798 4.153 1.00 0.30 O ATOM 1429 CB LEU A 98 3.457 -4.158 2.347 1.00 0.23 C ATOM 1430 CG LEU A 98 4.873 -4.025 1.780 1.00 0.25 C ATOM 1431 CD1 LEU A 98 4.847 -4.137 0.264 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.502 -2.708 2.204 1.00 0.37 C ATOM 0 H LEU A 98 4.311 -6.065 4.039 1.00 0.19 H new ATOM 0 HA LEU A 98 3.556 -3.212 4.280 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.006 -5.065 1.944 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.860 -3.319 1.989 1.00 0.23 H new ATOM 0 HG LEU A 98 5.480 -4.837 2.180 1.00 0.25 H new ATOM 0 HD11 LEU A 98 5.860 -4.041 -0.125 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.439 -5.106 -0.022 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.223 -3.344 -0.149 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.508 -2.635 1.790 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.897 -1.880 1.835 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.554 -2.663 3.292 1.00 0.37 H new ATOM 1444 N LEU A 99 1.182 -3.682 4.800 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.185 -3.958 5.225 1.00 0.19 C ATOM 1446 C LEU A 99 -1.165 -3.086 4.448 1.00 0.19 C ATOM 1447 O LEU A 99 -1.353 -1.912 4.764 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.340 -3.716 6.729 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.739 -3.983 7.294 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -2.111 -5.450 7.137 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.809 -3.567 8.756 1.00 0.36 C ATOM 0 H LEU A 99 1.477 -2.714 4.930 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.406 -5.005 5.019 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.374 -4.348 7.257 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.071 -2.682 6.944 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.457 -3.387 6.730 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -3.108 -5.618 7.544 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -2.101 -5.717 6.080 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.391 -6.067 7.674 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.809 -3.763 9.143 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.079 -4.137 9.332 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.589 -2.503 8.842 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.783 -3.670 3.427 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.737 -2.946 2.596 1.00 0.23 C ATOM 1465 C LEU A 100 -4.044 -3.719 2.450 1.00 0.24 C ATOM 1466 O LEU A 100 -4.069 -4.945 2.553 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.130 -2.670 1.216 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.126 -3.716 0.717 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.803 -5.060 0.497 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.457 -3.241 -0.564 1.00 0.31 C ATOM 0 H LEU A 100 -1.640 -4.643 3.155 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.960 -1.998 3.086 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.940 -2.594 0.490 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.634 -1.700 1.244 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.361 -3.844 1.483 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.069 -5.784 0.143 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.233 -5.409 1.436 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.593 -4.952 -0.246 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.253 -3.995 -0.905 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.214 -3.081 -1.332 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.070 -2.306 -0.374 1.00 0.31 H new ATOM 1482 N ILE A 101 -5.131 -2.990 2.217 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.442 -3.606 2.052 1.00 0.29 C ATOM 1484 C ILE A 101 -6.813 -3.697 0.576 1.00 0.32 C ATOM 1485 O ILE A 101 -6.571 -2.765 -0.195 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.534 -2.820 2.809 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.870 -3.566 2.745 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.673 -1.415 2.236 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.966 -2.923 3.567 1.00 0.45 C ATOM 0 H ILE A 101 -5.129 -1.973 2.138 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.383 -4.610 2.472 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.239 -2.735 3.855 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.194 -3.624 1.706 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.722 -4.589 3.090 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.447 -0.875 2.781 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.725 -0.887 2.334 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.947 -1.477 1.183 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.882 -3.507 3.473 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.664 -2.889 4.614 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -10.143 -1.909 3.208 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.396 -4.826 0.185 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.797 -5.036 -1.202 1.00 0.46 C ATOM 1503 C ARG A 102 -9.239 -5.521 -1.283 1.00 0.60 C ATOM 1504 O ARG A 102 -9.644 -6.426 -0.553 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.863 -6.043 -1.879 1.00 0.70 C ATOM 1506 CG ARG A 102 -7.246 -6.368 -3.317 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.236 -5.130 -4.199 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.518 -5.452 -5.595 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.204 -4.661 -6.414 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -8.679 -3.501 -5.981 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.417 -5.032 -7.670 1.00 2.20 N ATOM 0 H ARG A 102 -7.601 -5.608 0.807 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.726 -4.082 -1.724 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.847 -5.649 -1.864 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -6.856 -6.965 -1.298 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.552 -7.106 -3.720 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -8.238 -6.819 -3.336 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -7.977 -4.419 -3.834 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.264 -4.642 -4.128 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.168 -6.336 -5.964 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.518 -3.212 -5.016 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.205 -2.897 -6.613 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.054 -5.924 -8.007 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -8.943 -4.425 -8.299 1.00 2.20 H new