USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 28:sc= 0.0706 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -105:sc= 1.02 (180deg=-1.14!) USER MOD Single : A 24 THR OG1 : rot 120:sc= 0.34 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -71:sc= 0.00336 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0139 (180deg=-0.18) USER MOD Single : A 50 SER OG : rot 180:sc= -0.192 USER MOD Single : A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.074 K(o=-0.074,f=-0.85) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.111 K(o=0.11,f=-5.5!) USER MOD Single : A 78 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.19) USER MOD Single : A 80 MET CE :methyl -132:sc= -1.98 (180deg=-4.21) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.332 F(o=-3.2!,f=-0.33) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.256 F(o=-1.8,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.830 -7.825 1.724 1.00 0.55 N ATOM 139 CA SER A 12 -9.962 -8.805 2.364 1.00 0.45 C ATOM 140 C SER A 12 -8.604 -8.195 2.697 1.00 0.39 C ATOM 141 O SER A 12 -8.064 -7.399 1.926 1.00 0.38 O ATOM 142 CB SER A 12 -9.781 -10.024 1.459 1.00 0.51 C ATOM 143 OG SER A 12 -11.028 -10.629 1.165 1.00 0.90 O ATOM 0 HA SER A 12 -10.435 -9.120 3.294 1.00 0.45 H new ATOM 0 HB2 SER A 12 -9.291 -9.724 0.533 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.127 -10.748 1.945 1.00 0.51 H new ATOM 0 HG SER A 12 -11.737 -9.954 1.209 1.00 0.90 H new ATOM 149 N LEU A 13 -8.063 -8.573 3.850 1.00 0.41 N ATOM 150 CA LEU A 13 -6.768 -8.066 4.290 1.00 0.40 C ATOM 151 C LEU A 13 -5.632 -8.801 3.591 1.00 0.45 C ATOM 152 O LEU A 13 -5.523 -10.024 3.679 1.00 0.68 O ATOM 153 CB LEU A 13 -6.626 -8.214 5.806 1.00 0.56 C ATOM 154 CG LEU A 13 -7.731 -7.553 6.628 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.578 -7.899 8.101 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.707 -6.047 6.429 1.00 0.79 C ATOM 0 H LEU A 13 -8.501 -9.229 4.497 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.712 -7.010 4.027 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.598 -9.276 6.051 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.668 -7.792 6.108 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.693 -7.932 6.285 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.373 -7.420 8.672 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.640 -8.980 8.229 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.611 -7.546 8.459 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.500 -5.589 7.021 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.742 -5.653 6.748 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.862 -5.817 5.375 1.00 0.79 H new ATOM 168 N TYR A 14 -4.787 -8.048 2.896 1.00 0.36 N ATOM 169 CA TYR A 14 -3.656 -8.628 2.181 1.00 0.50 C ATOM 170 C TYR A 14 -2.334 -8.180 2.795 1.00 0.31 C ATOM 171 O TYR A 14 -2.075 -6.984 2.941 1.00 0.37 O ATOM 172 CB TYR A 14 -3.711 -8.244 0.702 1.00 0.80 C ATOM 173 CG TYR A 14 -4.692 -9.071 -0.098 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.024 -8.692 -0.197 1.00 0.71 C ATOM 175 CD2 TYR A 14 -4.288 -10.227 -0.758 1.00 1.20 C ATOM 176 CE1 TYR A 14 -6.928 -9.440 -0.926 1.00 1.34 C ATOM 177 CE2 TYR A 14 -5.187 -10.980 -1.490 1.00 1.90 C ATOM 178 CZ TYR A 14 -6.490 -10.603 -1.568 1.00 1.98 C ATOM 179 OH TYR A 14 -7.402 -11.328 -2.300 1.00 2.73 O ATOM 0 H TYR A 14 -4.864 -7.034 2.812 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.720 -9.713 2.267 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.981 -7.191 0.618 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -2.717 -8.354 0.269 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.359 -7.796 0.305 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -3.256 -10.541 -0.698 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -7.960 -9.131 -0.999 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -4.853 -11.871 -2.001 1.00 1.90 H new ATOM 0 HH TYR A 14 -6.960 -12.110 -2.692 1.00 2.73 H new ATOM 189 N SER A 15 -1.500 -9.151 3.154 1.00 0.43 N ATOM 190 CA SER A 15 -0.204 -8.863 3.757 1.00 0.38 C ATOM 191 C SER A 15 0.932 -9.420 2.906 1.00 0.33 C ATOM 192 O SER A 15 0.945 -10.603 2.564 1.00 0.41 O ATOM 193 CB SER A 15 -0.138 -9.454 5.166 1.00 0.59 C ATOM 194 OG SER A 15 1.114 -9.188 5.773 1.00 1.19 O ATOM 0 H SER A 15 -1.699 -10.145 3.038 1.00 0.43 H new ATOM 0 HA SER A 15 -0.089 -7.781 3.814 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.938 -9.036 5.777 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.302 -10.531 5.120 1.00 0.59 H new ATOM 0 HG SER A 15 1.130 -9.575 6.673 1.00 1.19 H new ATOM 200 N VAL A 16 1.884 -8.557 2.568 1.00 0.32 N ATOM 201 CA VAL A 16 3.032 -8.955 1.761 1.00 0.33 C ATOM 202 C VAL A 16 4.336 -8.616 2.479 1.00 0.31 C ATOM 203 O VAL A 16 4.378 -7.704 3.304 1.00 0.44 O ATOM 204 CB VAL A 16 3.013 -8.265 0.383 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.095 -8.835 -0.520 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.642 -8.400 -0.265 1.00 0.56 C ATOM 0 H VAL A 16 1.883 -7.574 2.841 1.00 0.32 H new ATOM 0 HA VAL A 16 2.969 -10.033 1.613 1.00 0.33 H new ATOM 0 HB VAL A 16 3.218 -7.205 0.529 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.063 -8.333 -1.487 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.071 -8.678 -0.062 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.927 -9.903 -0.659 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.649 -7.907 -1.237 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.404 -9.456 -0.396 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.891 -7.935 0.373 1.00 0.56 H new ATOM 216 N GLU A 17 5.398 -9.354 2.164 1.00 0.33 N ATOM 217 CA GLU A 17 6.695 -9.125 2.793 1.00 0.34 C ATOM 218 C GLU A 17 7.773 -8.812 1.759 1.00 0.32 C ATOM 219 O GLU A 17 8.058 -9.622 0.876 1.00 0.38 O ATOM 220 CB GLU A 17 7.105 -10.348 3.615 1.00 0.45 C ATOM 221 CG GLU A 17 6.151 -10.657 4.757 1.00 0.71 C ATOM 222 CD GLU A 17 6.561 -11.887 5.544 1.00 1.18 C ATOM 223 OE1 GLU A 17 7.358 -11.744 6.495 1.00 1.74 O ATOM 224 OE2 GLU A 17 6.084 -12.992 5.211 1.00 1.42 O ATOM 0 H GLU A 17 5.386 -10.111 1.481 1.00 0.33 H new ATOM 0 HA GLU A 17 6.596 -8.261 3.450 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.165 -11.215 2.957 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.104 -10.186 4.020 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.104 -9.800 5.428 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.148 -10.804 4.357 1.00 0.71 H new ATOM 231 N LEU A 18 8.368 -7.629 1.881 1.00 0.31 N ATOM 232 CA LEU A 18 9.427 -7.196 0.976 1.00 0.34 C ATOM 233 C LEU A 18 10.743 -7.054 1.731 1.00 0.38 C ATOM 234 O LEU A 18 10.763 -7.053 2.961 1.00 0.68 O ATOM 235 CB LEU A 18 9.060 -5.867 0.307 1.00 0.40 C ATOM 236 CG LEU A 18 8.197 -5.979 -0.954 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.934 -6.747 -2.042 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.864 -6.644 -0.638 1.00 0.71 C ATOM 0 H LEU A 18 8.132 -6.949 2.604 1.00 0.31 H new ATOM 0 HA LEU A 18 9.543 -7.953 0.201 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.533 -5.248 1.033 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.981 -5.343 0.051 1.00 0.40 H new ATOM 0 HG LEU A 18 7.997 -4.972 -1.320 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.304 -6.816 -2.929 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.858 -6.226 -2.292 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.168 -7.750 -1.685 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.267 -6.713 -1.548 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.041 -7.644 -0.243 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.328 -6.051 0.103 1.00 0.71 H new ATOM 250 N PHE A 19 11.843 -6.935 0.993 1.00 0.41 N ATOM 251 CA PHE A 19 13.157 -6.801 1.609 1.00 0.43 C ATOM 252 C PHE A 19 13.962 -5.675 0.969 1.00 0.49 C ATOM 253 O PHE A 19 14.361 -5.768 -0.193 1.00 0.59 O ATOM 254 CB PHE A 19 13.922 -8.122 1.500 1.00 0.48 C ATOM 255 CG PHE A 19 13.240 -9.264 2.200 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.270 -10.011 1.551 1.00 0.74 C ATOM 257 CD2 PHE A 19 13.566 -9.585 3.507 1.00 1.50 C ATOM 258 CE1 PHE A 19 11.638 -11.059 2.194 1.00 1.25 C ATOM 259 CE2 PHE A 19 12.937 -10.631 4.155 1.00 2.08 C ATOM 260 CZ PHE A 19 11.972 -11.369 3.498 1.00 1.94 C ATOM 0 H PHE A 19 11.850 -6.929 -0.027 1.00 0.41 H new ATOM 0 HA PHE A 19 13.012 -6.552 2.660 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.049 -8.374 0.447 1.00 0.48 H new ATOM 0 HB3 PHE A 19 14.920 -7.992 1.919 1.00 0.48 H new ATOM 0 HD1 PHE A 19 12.005 -9.772 0.532 1.00 0.74 H new ATOM 0 HD2 PHE A 19 14.320 -9.012 4.026 1.00 1.50 H new ATOM 0 HE1 PHE A 19 10.884 -11.635 1.677 1.00 1.25 H new ATOM 0 HE2 PHE A 19 13.200 -10.871 5.175 1.00 2.08 H new ATOM 0 HZ PHE A 19 11.479 -12.187 4.003 1.00 1.94 H new ATOM 270 N ARG A 20 14.197 -4.611 1.733 1.00 0.52 N ATOM 271 CA ARG A 20 14.963 -3.471 1.241 1.00 0.66 C ATOM 272 C ARG A 20 16.419 -3.569 1.690 1.00 0.68 C ATOM 273 O ARG A 20 16.744 -3.292 2.843 1.00 0.83 O ATOM 274 CB ARG A 20 14.344 -2.158 1.736 1.00 0.73 C ATOM 275 CG ARG A 20 15.212 -0.930 1.490 1.00 0.99 C ATOM 276 CD ARG A 20 15.493 -0.718 0.010 1.00 1.19 C ATOM 277 NE ARG A 20 16.410 0.396 -0.219 1.00 1.60 N ATOM 278 CZ ARG A 20 17.733 0.292 -0.130 1.00 2.26 C ATOM 279 NH1 ARG A 20 18.292 -0.867 0.196 1.00 2.52 N ATOM 280 NH2 ARG A 20 18.499 1.347 -0.367 1.00 3.06 N ATOM 0 H ARG A 20 13.868 -4.515 2.694 1.00 0.52 H new ATOM 0 HA ARG A 20 14.934 -3.483 0.151 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.382 -2.014 1.244 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.146 -2.242 2.805 1.00 0.73 H new ATOM 0 HG2 ARG A 20 14.715 -0.048 1.895 1.00 0.99 H new ATOM 0 HG3 ARG A 20 16.155 -1.039 2.026 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.917 -1.629 -0.413 1.00 1.19 H new ATOM 0 HD3 ARG A 20 14.556 -0.530 -0.514 1.00 1.19 H new ATOM 0 HE ARG A 20 16.014 1.304 -0.461 1.00 1.60 H new ATOM 0 HH11 ARG A 20 17.707 -1.682 0.379 1.00 2.52 H new ATOM 0 HH12 ARG A 20 19.307 -0.943 0.263 1.00 2.52 H new ATOM 0 HH21 ARG A 20 18.074 2.240 -0.618 1.00 3.06 H new ATOM 0 HH22 ARG A 20 19.513 1.266 -0.299 1.00 3.06 H new ATOM 294 N GLU A 21 17.291 -3.971 0.770 1.00 0.82 N ATOM 295 CA GLU A 21 18.711 -4.108 1.069 1.00 0.93 C ATOM 296 C GLU A 21 19.537 -4.102 -0.212 1.00 1.16 C ATOM 297 O GLU A 21 20.676 -4.571 -0.232 1.00 1.57 O ATOM 298 CB GLU A 21 18.969 -5.400 1.847 1.00 1.09 C ATOM 299 CG GLU A 21 18.550 -6.657 1.099 1.00 1.62 C ATOM 300 CD GLU A 21 18.840 -7.923 1.881 1.00 2.00 C ATOM 301 OE1 GLU A 21 20.010 -8.361 1.890 1.00 2.21 O ATOM 302 OE2 GLU A 21 17.896 -8.478 2.482 1.00 2.58 O ATOM 0 H GLU A 21 17.038 -4.208 -0.189 1.00 0.82 H new ATOM 0 HA GLU A 21 19.011 -3.257 1.681 1.00 0.93 H new ATOM 0 HB2 GLU A 21 20.031 -5.465 2.084 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.433 -5.356 2.795 1.00 1.09 H new ATOM 0 HG2 GLU A 21 17.484 -6.606 0.879 1.00 1.62 H new ATOM 0 HG3 GLU A 21 19.071 -6.697 0.143 1.00 1.62 H new ATOM 309 N LYS A 22 18.956 -3.566 -1.280 1.00 1.11 N ATOM 310 CA LYS A 22 19.634 -3.499 -2.568 1.00 1.40 C ATOM 311 C LYS A 22 20.070 -2.072 -2.881 1.00 1.31 C ATOM 312 O LYS A 22 19.571 -1.114 -2.289 1.00 1.38 O ATOM 313 CB LYS A 22 18.721 -4.025 -3.681 1.00 1.65 C ATOM 314 CG LYS A 22 18.429 -5.516 -3.582 1.00 2.00 C ATOM 315 CD LYS A 22 17.407 -5.825 -2.499 1.00 2.54 C ATOM 316 CE LYS A 22 17.151 -7.319 -2.382 1.00 3.05 C ATOM 317 NZ LYS A 22 16.148 -7.634 -1.327 1.00 3.72 N ATOM 0 H LYS A 22 18.015 -3.171 -1.278 1.00 1.11 H new ATOM 0 HA LYS A 22 20.524 -4.127 -2.513 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.779 -3.477 -3.655 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.184 -3.818 -4.646 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.061 -5.878 -4.542 1.00 2.00 H new ATOM 0 HG3 LYS A 22 19.354 -6.054 -3.372 1.00 2.00 H new ATOM 0 HD2 LYS A 22 17.761 -5.440 -1.543 1.00 2.54 H new ATOM 0 HD3 LYS A 22 16.472 -5.311 -2.723 1.00 2.54 H new ATOM 0 HE2 LYS A 22 16.801 -7.703 -3.340 1.00 3.05 H new ATOM 0 HE3 LYS A 22 18.087 -7.830 -2.156 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 16.632 -8.024 -0.493 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 15.641 -6.766 -1.059 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 15.469 -8.333 -1.691 1.00 3.72 H new ATOM 331 N ASP A 23 21.009 -1.940 -3.813 1.00 1.46 N ATOM 332 CA ASP A 23 21.521 -0.633 -4.208 1.00 1.51 C ATOM 333 C ASP A 23 20.607 0.025 -5.239 1.00 1.31 C ATOM 334 O ASP A 23 21.066 0.492 -6.283 1.00 1.58 O ATOM 335 CB ASP A 23 22.937 -0.770 -4.773 1.00 1.91 C ATOM 336 CG ASP A 23 23.004 -1.745 -5.932 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.087 -2.965 -5.678 1.00 2.58 O ATOM 338 OD2 ASP A 23 22.976 -1.289 -7.094 1.00 2.87 O ATOM 0 H ASP A 23 21.431 -2.725 -4.310 1.00 1.46 H new ATOM 0 HA ASP A 23 21.549 0.002 -3.323 1.00 1.51 H new ATOM 0 HB2 ASP A 23 23.290 0.207 -5.103 1.00 1.91 H new ATOM 0 HB3 ASP A 23 23.610 -1.102 -3.983 1.00 1.91 H new ATOM 343 N THR A 24 19.312 0.063 -4.937 1.00 1.02 N ATOM 344 CA THR A 24 18.335 0.665 -5.835 1.00 0.98 C ATOM 345 C THR A 24 17.661 1.868 -5.184 1.00 1.01 C ATOM 346 O THR A 24 17.155 2.756 -5.870 1.00 1.16 O ATOM 347 CB THR A 24 17.252 -0.349 -6.253 1.00 1.17 C ATOM 348 OG1 THR A 24 16.480 -0.741 -5.112 1.00 1.38 O ATOM 349 CG2 THR A 24 17.882 -1.578 -6.890 1.00 1.19 C ATOM 0 H THR A 24 18.916 -0.316 -4.077 1.00 1.02 H new ATOM 0 HA THR A 24 18.880 0.989 -6.722 1.00 0.98 H new ATOM 0 HB THR A 24 16.601 0.129 -6.985 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.540 -0.506 -5.257 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.100 -2.280 -7.177 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.446 -1.281 -7.774 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.553 -2.055 -6.175 1.00 1.19 H new ATOM 357 N SER A 25 17.658 1.882 -3.851 1.00 1.05 N ATOM 358 CA SER A 25 17.052 2.969 -3.088 1.00 1.35 C ATOM 359 C SER A 25 15.574 3.128 -3.432 1.00 1.17 C ATOM 360 O SER A 25 14.966 4.155 -3.132 1.00 1.39 O ATOM 361 CB SER A 25 17.793 4.281 -3.350 1.00 1.79 C ATOM 362 OG SER A 25 19.160 4.176 -2.991 1.00 2.45 O ATOM 0 H SER A 25 18.071 1.148 -3.276 1.00 1.05 H new ATOM 0 HA SER A 25 17.131 2.719 -2.030 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.710 4.545 -4.404 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.326 5.086 -2.782 1.00 1.79 H new ATOM 0 HG SER A 25 19.611 5.027 -3.170 1.00 2.45 H new ATOM 368 N SER A 26 15.001 2.103 -4.057 1.00 0.84 N ATOM 369 CA SER A 26 13.595 2.130 -4.443 1.00 0.72 C ATOM 370 C SER A 26 12.966 0.746 -4.314 1.00 0.58 C ATOM 371 O SER A 26 13.655 -0.270 -4.402 1.00 0.69 O ATOM 372 CB SER A 26 13.450 2.634 -5.879 1.00 0.81 C ATOM 373 OG SER A 26 14.132 1.786 -6.787 1.00 1.40 O ATOM 0 H SER A 26 15.490 1.243 -4.307 1.00 0.84 H new ATOM 0 HA SER A 26 13.073 2.810 -3.770 1.00 0.72 H new ATOM 0 HB2 SER A 26 12.394 2.684 -6.146 1.00 0.81 H new ATOM 0 HB3 SER A 26 13.846 3.647 -5.954 1.00 0.81 H new ATOM 0 HG SER A 26 15.099 1.900 -6.678 1.00 1.40 H new ATOM 379 N LEU A 27 11.653 0.716 -4.105 1.00 0.42 N ATOM 380 CA LEU A 27 10.929 -0.543 -3.962 1.00 0.32 C ATOM 381 C LEU A 27 9.955 -0.744 -5.118 1.00 0.29 C ATOM 382 O LEU A 27 9.526 -1.864 -5.393 1.00 0.41 O ATOM 383 CB LEU A 27 10.173 -0.573 -2.631 1.00 0.35 C ATOM 384 CG LEU A 27 11.052 -0.488 -1.380 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.189 -0.378 -0.132 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.969 -1.698 -1.287 1.00 0.43 C ATOM 0 H LEU A 27 11.069 1.549 -4.031 1.00 0.42 H new ATOM 0 HA LEU A 27 11.656 -1.355 -3.977 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.465 0.255 -2.615 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.589 -1.492 -2.584 1.00 0.35 H new ATOM 0 HG LEU A 27 11.670 0.406 -1.454 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.829 -0.318 0.749 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.572 0.519 -0.194 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.547 -1.255 -0.055 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.586 -1.619 -0.392 1.00 0.43 H new ATOM 0 HD22 LEU A 27 11.369 -2.606 -1.235 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.611 -1.737 -2.167 1.00 0.43 H new ATOM 398 N GLY A 28 9.609 0.350 -5.791 1.00 0.29 N ATOM 399 CA GLY A 28 8.692 0.274 -6.913 1.00 0.31 C ATOM 400 C GLY A 28 7.256 0.559 -6.516 1.00 0.29 C ATOM 401 O GLY A 28 6.323 0.012 -7.105 1.00 0.52 O ATOM 0 H GLY A 28 9.948 1.288 -5.578 1.00 0.29 H new ATOM 0 HA2 GLY A 28 9.001 0.986 -7.678 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.751 -0.719 -7.359 1.00 0.31 H new ATOM 405 N ILE A 29 7.078 1.416 -5.516 1.00 0.35 N ATOM 406 CA ILE A 29 5.745 1.770 -5.042 1.00 0.32 C ATOM 407 C ILE A 29 5.400 3.209 -5.405 1.00 0.30 C ATOM 408 O ILE A 29 6.042 4.150 -4.937 1.00 0.35 O ATOM 409 CB ILE A 29 5.628 1.595 -3.514 1.00 0.37 C ATOM 410 CG1 ILE A 29 6.110 0.201 -3.102 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.191 1.822 -3.065 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.181 0.000 -1.603 1.00 0.84 C ATOM 0 H ILE A 29 7.839 1.878 -5.019 1.00 0.35 H new ATOM 0 HA ILE A 29 5.043 1.095 -5.532 1.00 0.32 H new ATOM 0 HB ILE A 29 6.261 2.336 -3.026 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.441 -0.546 -3.529 1.00 0.46 H new ATOM 0 HG13 ILE A 29 7.097 0.026 -3.530 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.123 1.695 -1.985 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.882 2.833 -3.332 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.538 1.101 -3.557 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.530 -1.010 -1.387 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.873 0.723 -1.171 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.191 0.142 -1.170 1.00 0.84 H new ATOM 424 N SER A 30 4.380 3.374 -6.241 1.00 0.27 N ATOM 425 CA SER A 30 3.948 4.700 -6.667 1.00 0.29 C ATOM 426 C SER A 30 2.559 5.015 -6.123 1.00 0.28 C ATOM 427 O SER A 30 1.559 4.474 -6.594 1.00 0.35 O ATOM 428 CB SER A 30 3.945 4.796 -8.194 1.00 0.33 C ATOM 429 OG SER A 30 3.540 6.086 -8.622 1.00 0.95 O ATOM 0 H SER A 30 3.837 2.606 -6.637 1.00 0.27 H new ATOM 0 HA SER A 30 4.652 5.431 -6.269 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.942 4.578 -8.577 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.273 4.044 -8.608 1.00 0.33 H new ATOM 0 HG SER A 30 3.548 6.123 -9.601 1.00 0.95 H new ATOM 435 N ILE A 31 2.508 5.893 -5.128 1.00 0.25 N ATOM 436 CA ILE A 31 1.246 6.281 -4.512 1.00 0.27 C ATOM 437 C ILE A 31 0.724 7.589 -5.098 1.00 0.31 C ATOM 438 O ILE A 31 1.501 8.460 -5.490 1.00 0.41 O ATOM 439 CB ILE A 31 1.391 6.433 -2.985 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.472 7.466 -2.654 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.720 5.088 -2.352 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.570 7.791 -1.178 1.00 0.39 C ATOM 0 H ILE A 31 3.328 6.350 -4.730 1.00 0.25 H new ATOM 0 HA ILE A 31 0.533 5.485 -4.724 1.00 0.27 H new ATOM 0 HB ILE A 31 0.444 6.785 -2.575 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.436 7.094 -3.000 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.267 8.383 -3.206 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.820 5.208 -1.273 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.919 4.380 -2.565 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.657 4.712 -2.763 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.356 8.529 -1.019 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.619 8.194 -0.830 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.806 6.884 -0.621 1.00 0.39 H new ATOM 454 N SER A 32 -0.598 7.719 -5.153 1.00 0.37 N ATOM 455 CA SER A 32 -1.230 8.920 -5.690 1.00 0.44 C ATOM 456 C SER A 32 -1.932 9.704 -4.587 1.00 0.55 C ATOM 457 O SER A 32 -2.571 9.122 -3.710 1.00 0.59 O ATOM 458 CB SER A 32 -2.234 8.548 -6.783 1.00 0.48 C ATOM 459 OG SER A 32 -2.846 9.705 -7.328 1.00 1.32 O ATOM 0 H SER A 32 -1.253 7.006 -4.832 1.00 0.37 H new ATOM 0 HA SER A 32 -0.451 9.549 -6.120 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.727 7.994 -7.573 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.998 7.889 -6.371 1.00 0.48 H new ATOM 0 HG SER A 32 -3.482 9.441 -8.025 1.00 1.32 H new ATOM 465 N GLY A 33 -1.813 11.027 -4.638 1.00 0.70 N ATOM 466 CA GLY A 33 -2.443 11.869 -3.637 1.00 0.87 C ATOM 467 C GLY A 33 -3.858 12.263 -4.018 1.00 0.88 C ATOM 468 O GLY A 33 -4.065 13.000 -4.981 1.00 0.95 O ATOM 0 H GLY A 33 -1.291 11.531 -5.355 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -2.460 11.343 -2.683 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -1.844 12.769 -3.494 1.00 0.87 H new ATOM 634 N ILE A 46 -3.896 7.320 1.574 1.00 0.46 N ATOM 635 CA ILE A 46 -2.807 6.921 0.689 1.00 0.39 C ATOM 636 C ILE A 46 -3.111 5.583 0.023 1.00 0.39 C ATOM 637 O ILE A 46 -3.547 4.636 0.679 1.00 0.57 O ATOM 638 CB ILE A 46 -1.473 6.812 1.455 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.177 8.112 2.211 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.336 6.475 0.499 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.058 9.329 1.316 1.00 0.55 C ATOM 0 HA ILE A 46 -2.715 7.693 -0.075 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.559 6.006 2.184 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.969 8.285 2.940 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.249 7.992 2.770 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.598 6.402 1.056 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.542 5.523 0.010 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.249 7.259 -0.254 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.848 10.209 1.924 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.247 9.179 0.603 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.993 9.476 0.776 1.00 0.55 H new ATOM 653 N TYR A 47 -2.878 5.511 -1.284 1.00 0.30 N ATOM 654 CA TYR A 47 -3.130 4.288 -2.038 1.00 0.30 C ATOM 655 C TYR A 47 -2.220 4.205 -3.261 1.00 0.26 C ATOM 656 O TYR A 47 -1.916 5.218 -3.893 1.00 0.29 O ATOM 657 CB TYR A 47 -4.596 4.230 -2.474 1.00 0.36 C ATOM 658 CG TYR A 47 -4.976 5.296 -3.478 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.218 6.604 -3.075 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.090 4.995 -4.829 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.564 7.579 -3.991 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.436 5.964 -5.750 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.670 7.254 -5.326 1.00 0.58 C ATOM 664 OH TYR A 47 -6.014 8.222 -6.242 1.00 0.70 O ATOM 0 H TYR A 47 -2.516 6.284 -1.842 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.915 3.438 -1.390 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.799 3.249 -2.905 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.231 4.330 -1.594 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.134 6.862 -2.030 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.905 3.985 -5.165 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.750 8.591 -3.662 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.523 5.712 -6.797 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.044 7.828 -7.139 1.00 0.70 H new ATOM 674 N VAL A 48 -1.785 2.991 -3.588 1.00 0.26 N ATOM 675 CA VAL A 48 -0.914 2.775 -4.737 1.00 0.25 C ATOM 676 C VAL A 48 -1.706 2.835 -6.037 1.00 0.28 C ATOM 677 O VAL A 48 -2.645 2.064 -6.240 1.00 0.39 O ATOM 678 CB VAL A 48 -0.188 1.417 -4.649 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.682 1.191 -5.877 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.645 1.340 -3.379 1.00 0.29 C ATOM 0 H VAL A 48 -2.022 2.143 -3.073 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.170 3.572 -4.728 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.939 0.628 -4.616 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.185 0.227 -5.794 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.059 1.199 -6.771 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.427 1.984 -5.946 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.150 0.375 -3.333 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.387 2.138 -3.382 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.004 1.451 -2.511 1.00 0.29 H new ATOM 690 N LYS A 49 -1.321 3.755 -6.914 1.00 0.31 N ATOM 691 CA LYS A 49 -1.995 3.922 -8.197 1.00 0.38 C ATOM 692 C LYS A 49 -1.214 3.238 -9.316 1.00 0.32 C ATOM 693 O LYS A 49 -1.778 2.886 -10.353 1.00 0.37 O ATOM 694 CB LYS A 49 -2.165 5.410 -8.509 1.00 0.49 C ATOM 695 CG LYS A 49 -2.935 5.684 -9.791 1.00 0.61 C ATOM 696 CD LYS A 49 -3.122 7.176 -10.016 1.00 0.84 C ATOM 697 CE LYS A 49 -3.838 7.456 -11.327 1.00 1.65 C ATOM 698 NZ LYS A 49 -5.187 6.830 -11.368 1.00 2.40 N ATOM 0 H LYS A 49 -0.544 4.398 -6.760 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.978 3.455 -8.131 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.681 5.890 -7.677 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.180 5.871 -8.582 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.402 5.251 -10.637 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.909 5.196 -9.744 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -3.693 7.601 -9.190 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -2.150 7.669 -10.018 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -3.933 8.533 -11.466 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -3.238 7.080 -12.156 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -5.713 7.193 -12.188 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -5.088 5.798 -11.449 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -5.703 7.061 -10.495 1.00 2.40 H new ATOM 712 N SER A 50 0.085 3.050 -9.100 1.00 0.28 N ATOM 713 CA SER A 50 0.939 2.410 -10.095 1.00 0.35 C ATOM 714 C SER A 50 2.149 1.749 -9.441 1.00 0.28 C ATOM 715 O SER A 50 2.465 2.013 -8.281 1.00 0.25 O ATOM 716 CB SER A 50 1.404 3.437 -11.129 1.00 0.49 C ATOM 717 OG SER A 50 2.228 2.833 -12.112 1.00 1.28 O ATOM 0 H SER A 50 0.568 3.331 -8.247 1.00 0.28 H new ATOM 0 HA SER A 50 0.354 1.636 -10.592 1.00 0.35 H new ATOM 0 HB2 SER A 50 0.538 3.895 -11.607 1.00 0.49 H new ATOM 0 HB3 SER A 50 1.953 4.236 -10.631 1.00 0.49 H new ATOM 0 HG SER A 50 2.511 3.509 -12.762 1.00 1.28 H new ATOM 723 N LEU A 51 2.821 0.886 -10.198 1.00 0.32 N ATOM 724 CA LEU A 51 4.001 0.182 -9.705 1.00 0.27 C ATOM 725 C LEU A 51 5.141 0.270 -10.714 1.00 0.27 C ATOM 726 O LEU A 51 4.908 0.443 -11.911 1.00 0.42 O ATOM 727 CB LEU A 51 3.665 -1.286 -9.426 1.00 0.30 C ATOM 728 CG LEU A 51 2.634 -1.521 -8.320 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.193 -2.976 -8.303 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.202 -1.123 -6.965 1.00 0.32 C ATOM 0 H LEU A 51 2.567 0.657 -11.159 1.00 0.32 H new ATOM 0 HA LEU A 51 4.319 0.657 -8.777 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.296 -1.739 -10.346 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.584 -1.808 -9.160 1.00 0.30 H new ATOM 0 HG LEU A 51 1.764 -0.898 -8.525 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.460 -3.125 -7.510 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.746 -3.232 -9.264 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.057 -3.616 -8.123 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.454 -1.297 -6.192 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.089 -1.720 -6.753 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.470 -0.067 -6.979 1.00 0.32 H new ATOM 742 N ILE A 52 6.372 0.152 -10.226 1.00 0.24 N ATOM 743 CA ILE A 52 7.546 0.216 -11.089 1.00 0.24 C ATOM 744 C ILE A 52 8.033 -1.189 -11.451 1.00 0.23 C ATOM 745 O ILE A 52 8.569 -1.899 -10.601 1.00 0.28 O ATOM 746 CB ILE A 52 8.698 0.988 -10.412 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.221 2.368 -9.944 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.880 1.121 -11.363 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.724 3.261 -11.062 1.00 1.26 C ATOM 0 H ILE A 52 6.582 0.012 -9.238 1.00 0.24 H new ATOM 0 HA ILE A 52 7.249 0.743 -11.996 1.00 0.24 H new ATOM 0 HB ILE A 52 9.023 0.426 -9.537 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.421 2.236 -9.215 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.041 2.869 -9.430 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.684 1.668 -10.870 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.235 0.129 -11.643 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.569 1.661 -12.257 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.405 4.218 -10.649 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.527 3.426 -11.780 1.00 1.26 H new ATOM 0 HD13 ILE A 52 6.882 2.783 -11.562 1.00 1.26 H new ATOM 761 N PRO A 53 7.856 -1.611 -12.721 1.00 0.31 N ATOM 762 CA PRO A 53 8.280 -2.943 -13.173 1.00 0.35 C ATOM 763 C PRO A 53 9.776 -3.173 -12.983 1.00 0.34 C ATOM 764 O PRO A 53 10.584 -2.268 -13.196 1.00 0.46 O ATOM 765 CB PRO A 53 7.923 -2.956 -14.664 1.00 0.43 C ATOM 766 CG PRO A 53 6.895 -1.889 -14.823 1.00 0.82 C ATOM 767 CD PRO A 53 7.238 -0.836 -13.811 1.00 0.47 C ATOM 0 HA PRO A 53 7.794 -3.734 -12.601 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.799 -2.756 -15.281 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.534 -3.928 -14.968 1.00 0.43 H new ATOM 0 HG2 PRO A 53 6.909 -1.480 -15.833 1.00 0.82 H new ATOM 0 HG3 PRO A 53 5.893 -2.283 -14.653 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.925 -0.094 -14.218 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.352 -0.299 -13.472 1.00 0.47 H new ATOM 775 N GLY A 54 10.135 -4.388 -12.582 1.00 0.39 N ATOM 776 CA GLY A 54 11.533 -4.717 -12.370 1.00 0.41 C ATOM 777 C GLY A 54 11.961 -4.529 -10.928 1.00 0.39 C ATOM 778 O GLY A 54 13.009 -5.023 -10.516 1.00 0.49 O ATOM 0 H GLY A 54 9.483 -5.151 -12.400 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.708 -5.751 -12.666 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.152 -4.092 -13.014 1.00 0.41 H new ATOM 782 N SER A 55 11.145 -3.815 -10.160 1.00 0.35 N ATOM 783 CA SER A 55 11.443 -3.562 -8.756 1.00 0.35 C ATOM 784 C SER A 55 11.067 -4.763 -7.893 1.00 0.32 C ATOM 785 O SER A 55 10.569 -5.768 -8.399 1.00 0.36 O ATOM 786 CB SER A 55 10.699 -2.316 -8.270 1.00 0.37 C ATOM 787 OG SER A 55 11.093 -1.170 -9.005 1.00 1.23 O ATOM 0 H SER A 55 10.272 -3.401 -10.487 1.00 0.35 H new ATOM 0 HA SER A 55 12.516 -3.394 -8.664 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.624 -2.467 -8.373 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.899 -2.159 -7.210 1.00 0.37 H new ATOM 0 HG SER A 55 10.867 -0.362 -8.498 1.00 1.23 H new ATOM 793 N ALA A 56 11.310 -4.656 -6.591 1.00 0.35 N ATOM 794 CA ALA A 56 10.993 -5.737 -5.665 1.00 0.36 C ATOM 795 C ALA A 56 9.486 -5.887 -5.492 1.00 0.32 C ATOM 796 O ALA A 56 8.947 -6.993 -5.568 1.00 0.34 O ATOM 797 CB ALA A 56 11.660 -5.492 -4.321 1.00 0.42 C ATOM 0 H ALA A 56 11.725 -3.833 -6.154 1.00 0.35 H new ATOM 0 HA ALA A 56 11.378 -6.667 -6.084 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.415 -6.307 -3.639 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.741 -5.443 -4.455 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.303 -4.550 -3.904 1.00 0.42 H new ATOM 803 N ALA A 57 8.810 -4.767 -5.260 1.00 0.30 N ATOM 804 CA ALA A 57 7.363 -4.766 -5.071 1.00 0.30 C ATOM 805 C ALA A 57 6.641 -5.355 -6.279 1.00 0.30 C ATOM 806 O ALA A 57 5.669 -6.097 -6.133 1.00 0.35 O ATOM 807 CB ALA A 57 6.871 -3.353 -4.803 1.00 0.32 C ATOM 0 H ALA A 57 9.242 -3.845 -5.198 1.00 0.30 H new ATOM 0 HA ALA A 57 7.138 -5.394 -4.209 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.790 -3.364 -4.664 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.349 -2.966 -3.903 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.121 -2.714 -5.650 1.00 0.32 H new ATOM 813 N ALA A 58 7.122 -5.018 -7.473 1.00 0.31 N ATOM 814 CA ALA A 58 6.519 -5.510 -8.708 1.00 0.33 C ATOM 815 C ALA A 58 6.793 -6.997 -8.905 1.00 0.34 C ATOM 816 O ALA A 58 5.869 -7.789 -9.094 1.00 0.44 O ATOM 817 CB ALA A 58 7.035 -4.715 -9.898 1.00 0.37 C ATOM 0 H ALA A 58 7.927 -4.407 -7.611 1.00 0.31 H new ATOM 0 HA ALA A 58 5.440 -5.376 -8.632 1.00 0.33 H new ATOM 0 HB1 ALA A 58 6.578 -5.092 -10.813 1.00 0.37 H new ATOM 0 HB2 ALA A 58 6.780 -3.663 -9.771 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.118 -4.820 -9.964 1.00 0.37 H new ATOM 823 N LEU A 59 8.068 -7.371 -8.863 1.00 0.35 N ATOM 824 CA LEU A 59 8.466 -8.763 -9.039 1.00 0.39 C ATOM 825 C LEU A 59 7.858 -9.652 -7.958 1.00 0.42 C ATOM 826 O LEU A 59 7.774 -10.870 -8.120 1.00 0.57 O ATOM 827 CB LEU A 59 9.991 -8.887 -9.020 1.00 0.47 C ATOM 828 CG LEU A 59 10.709 -8.231 -10.203 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.214 -8.233 -9.981 1.00 0.66 C ATOM 830 CD2 LEU A 59 10.361 -8.946 -11.499 1.00 0.61 C ATOM 0 H LEU A 59 8.844 -6.728 -8.708 1.00 0.35 H new ATOM 0 HA LEU A 59 8.092 -9.097 -10.007 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.365 -8.444 -8.097 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.254 -9.944 -8.996 1.00 0.47 H new ATOM 0 HG LEU A 59 10.374 -7.197 -10.279 1.00 0.53 H new ATOM 0 HD11 LEU A 59 12.708 -7.763 -10.832 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.449 -7.678 -9.073 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.565 -9.260 -9.879 1.00 0.66 H new ATOM 0 HD21 LEU A 59 10.880 -8.467 -12.329 1.00 0.61 H new ATOM 0 HD22 LEU A 59 10.668 -9.990 -11.433 1.00 0.61 H new ATOM 0 HD23 LEU A 59 9.285 -8.895 -11.665 1.00 0.61 H new ATOM 842 N ASP A 60 7.440 -9.037 -6.855 1.00 0.44 N ATOM 843 CA ASP A 60 6.841 -9.772 -5.747 1.00 0.52 C ATOM 844 C ASP A 60 5.691 -10.649 -6.238 1.00 0.61 C ATOM 845 O ASP A 60 5.644 -11.847 -5.951 1.00 0.79 O ATOM 846 CB ASP A 60 6.342 -8.804 -4.673 1.00 0.74 C ATOM 847 CG ASP A 60 5.981 -9.509 -3.382 1.00 1.08 C ATOM 848 OD1 ASP A 60 4.863 -10.058 -3.300 1.00 1.86 O ATOM 849 OD2 ASP A 60 6.815 -9.513 -2.454 1.00 1.32 O ATOM 0 H ASP A 60 7.506 -8.030 -6.705 1.00 0.44 H new ATOM 0 HA ASP A 60 7.606 -10.416 -5.313 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.112 -8.059 -4.474 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.470 -8.269 -5.048 1.00 0.74 H new ATOM 854 N GLY A 61 4.768 -10.045 -6.982 1.00 0.72 N ATOM 855 CA GLY A 61 3.638 -10.786 -7.515 1.00 1.06 C ATOM 856 C GLY A 61 2.381 -10.637 -6.681 1.00 0.83 C ATOM 857 O GLY A 61 1.270 -10.658 -7.214 1.00 0.94 O ATOM 0 H GLY A 61 4.783 -9.055 -7.225 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.435 -10.446 -8.531 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.901 -11.842 -7.579 1.00 1.06 H new ATOM 861 N ARG A 62 2.551 -10.485 -5.372 1.00 0.63 N ATOM 862 CA ARG A 62 1.415 -10.338 -4.466 1.00 0.59 C ATOM 863 C ARG A 62 0.747 -8.977 -4.632 1.00 0.52 C ATOM 864 O ARG A 62 -0.478 -8.882 -4.710 1.00 0.69 O ATOM 865 CB ARG A 62 1.865 -10.523 -3.015 1.00 0.67 C ATOM 866 CG ARG A 62 2.497 -11.877 -2.736 1.00 0.81 C ATOM 867 CD ARG A 62 1.503 -13.010 -2.932 1.00 1.05 C ATOM 868 NE ARG A 62 0.349 -12.882 -2.048 1.00 1.31 N ATOM 869 CZ ARG A 62 -0.582 -13.823 -1.912 1.00 1.93 C ATOM 870 NH1 ARG A 62 -0.489 -14.957 -2.593 1.00 2.26 N ATOM 871 NH2 ARG A 62 -1.607 -13.629 -1.094 1.00 2.59 N ATOM 0 H ARG A 62 3.462 -10.460 -4.914 1.00 0.63 H new ATOM 0 HA ARG A 62 0.687 -11.109 -4.718 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.580 -9.740 -2.764 1.00 0.67 H new ATOM 0 HB3 ARG A 62 1.005 -10.392 -2.358 1.00 0.67 H new ATOM 0 HG2 ARG A 62 3.351 -12.023 -3.397 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.877 -11.898 -1.715 1.00 0.81 H new ATOM 0 HD2 ARG A 62 1.166 -13.022 -3.969 1.00 1.05 H new ATOM 0 HD3 ARG A 62 1.998 -13.963 -2.747 1.00 1.05 H new ATOM 0 HE ARG A 62 0.251 -12.024 -1.505 1.00 1.31 H new ATOM 0 HH11 ARG A 62 0.298 -15.110 -3.224 1.00 2.26 H new ATOM 0 HH12 ARG A 62 -1.204 -15.676 -2.486 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -1.682 -12.758 -0.568 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -2.320 -14.351 -0.990 1.00 2.59 H new ATOM 885 N ILE A 63 1.558 -7.924 -4.682 1.00 0.48 N ATOM 886 CA ILE A 63 1.044 -6.569 -4.832 1.00 0.48 C ATOM 887 C ILE A 63 0.367 -6.380 -6.185 1.00 0.49 C ATOM 888 O ILE A 63 0.916 -6.753 -7.222 1.00 0.59 O ATOM 889 CB ILE A 63 2.164 -5.523 -4.677 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.940 -5.768 -3.380 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.579 -4.117 -4.697 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.160 -4.887 -3.227 1.00 0.92 C ATOM 0 H ILE A 63 2.574 -7.985 -4.621 1.00 0.48 H new ATOM 0 HA ILE A 63 0.308 -6.422 -4.041 1.00 0.48 H new ATOM 0 HB ILE A 63 2.855 -5.619 -5.515 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.275 -5.603 -2.532 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.250 -6.812 -3.344 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.381 -3.387 -4.587 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.065 -3.950 -5.643 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.872 -4.006 -3.875 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.659 -5.117 -2.286 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.846 -5.068 -4.055 1.00 0.92 H new ATOM 0 HD13 ILE A 63 3.856 -3.840 -3.230 1.00 0.92 H new ATOM 904 N GLU A 64 -0.826 -5.795 -6.164 1.00 0.51 N ATOM 905 CA GLU A 64 -1.584 -5.552 -7.385 1.00 0.58 C ATOM 906 C GLU A 64 -1.988 -4.079 -7.484 1.00 0.56 C ATOM 907 O GLU A 64 -2.379 -3.474 -6.486 1.00 0.66 O ATOM 908 CB GLU A 64 -2.831 -6.441 -7.413 1.00 0.79 C ATOM 909 CG GLU A 64 -3.685 -6.262 -8.659 1.00 1.09 C ATOM 910 CD GLU A 64 -4.892 -7.180 -8.677 1.00 1.39 C ATOM 911 OE1 GLU A 64 -4.742 -8.351 -9.082 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.990 -6.725 -8.287 1.00 1.98 O ATOM 0 H GLU A 64 -1.289 -5.480 -5.312 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.952 -5.796 -8.239 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.524 -7.484 -7.341 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.438 -6.227 -6.534 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -4.020 -5.227 -8.719 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.076 -6.452 -9.543 1.00 1.09 H new ATOM 919 N PRO A 65 -1.892 -3.477 -8.690 1.00 0.56 N ATOM 920 CA PRO A 65 -2.255 -2.070 -8.899 1.00 0.64 C ATOM 921 C PRO A 65 -3.619 -1.728 -8.304 1.00 0.72 C ATOM 922 O PRO A 65 -4.453 -2.609 -8.098 1.00 1.44 O ATOM 923 CB PRO A 65 -2.287 -1.938 -10.422 1.00 0.77 C ATOM 924 CG PRO A 65 -1.331 -2.969 -10.910 1.00 0.83 C ATOM 925 CD PRO A 65 -1.419 -4.114 -9.937 1.00 0.62 C ATOM 0 HA PRO A 65 -1.556 -1.390 -8.412 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.290 -2.110 -10.814 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.988 -0.939 -10.739 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -1.589 -3.294 -11.918 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -0.317 -2.571 -10.953 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.112 -4.881 -10.283 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.452 -4.597 -9.798 1.00 0.62 H new ATOM 933 N ASN A 66 -3.835 -0.444 -8.032 1.00 0.60 N ATOM 934 CA ASN A 66 -5.093 0.020 -7.454 1.00 0.59 C ATOM 935 C ASN A 66 -5.354 -0.661 -6.112 1.00 0.51 C ATOM 936 O ASN A 66 -6.285 -1.457 -5.975 1.00 0.73 O ATOM 937 CB ASN A 66 -6.255 -0.242 -8.416 1.00 0.66 C ATOM 938 CG ASN A 66 -7.563 0.347 -7.920 1.00 1.34 C ATOM 939 OD1 ASN A 66 -7.576 1.362 -7.224 1.00 2.15 O ATOM 940 ND2 ASN A 66 -8.672 -0.288 -8.278 1.00 2.01 N ATOM 0 H ASN A 66 -3.153 0.295 -8.203 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.015 1.094 -7.287 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.017 0.180 -9.392 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -6.373 -1.317 -8.554 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -9.581 0.062 -7.975 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -8.616 -1.126 -8.856 1.00 2.01 H new ATOM 947 N ASP A 67 -4.521 -0.343 -5.126 1.00 0.36 N ATOM 948 CA ASP A 67 -4.648 -0.919 -3.791 1.00 0.34 C ATOM 949 C ASP A 67 -4.532 0.166 -2.724 1.00 0.30 C ATOM 950 O ASP A 67 -3.922 1.209 -2.957 1.00 0.38 O ATOM 951 CB ASP A 67 -3.574 -1.987 -3.575 1.00 0.41 C ATOM 952 CG ASP A 67 -3.583 -2.543 -2.164 1.00 1.17 C ATOM 953 OD1 ASP A 67 -3.012 -1.892 -1.265 1.00 1.46 O ATOM 954 OD2 ASP A 67 -4.163 -3.631 -1.960 1.00 2.02 O ATOM 0 H ASP A 67 -3.747 0.314 -5.227 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.631 -1.382 -3.706 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.728 -2.801 -4.284 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.594 -1.560 -3.788 1.00 0.41 H new ATOM 959 N LYS A 68 -5.118 -0.084 -1.554 1.00 0.27 N ATOM 960 CA LYS A 68 -5.077 0.884 -0.461 1.00 0.28 C ATOM 961 C LYS A 68 -4.072 0.465 0.610 1.00 0.26 C ATOM 962 O LYS A 68 -4.084 -0.675 1.070 1.00 0.38 O ATOM 963 CB LYS A 68 -6.465 1.043 0.162 1.00 0.37 C ATOM 964 CG LYS A 68 -6.517 2.070 1.281 1.00 0.53 C ATOM 965 CD LYS A 68 -7.919 2.207 1.848 1.00 0.53 C ATOM 966 CE LYS A 68 -7.960 3.203 2.996 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.334 3.364 3.543 1.00 1.02 N ATOM 0 H LYS A 68 -5.624 -0.944 -1.340 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.758 1.841 -0.875 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.172 1.330 -0.616 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.792 0.078 0.550 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.829 1.779 2.075 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.180 3.036 0.905 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.601 2.529 1.061 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.269 1.235 2.195 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.290 2.870 3.789 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.591 4.169 2.652 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.319 4.051 4.323 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.968 3.706 2.793 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.677 2.448 3.895 1.00 1.02 H new ATOM 981 N ILE A 69 -3.210 1.399 1.004 1.00 0.24 N ATOM 982 CA ILE A 69 -2.198 1.130 2.022 1.00 0.21 C ATOM 983 C ILE A 69 -2.708 1.501 3.413 1.00 0.21 C ATOM 984 O ILE A 69 -3.460 2.462 3.573 1.00 0.29 O ATOM 985 CB ILE A 69 -0.900 1.917 1.745 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.427 1.689 0.305 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.185 1.518 2.737 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.093 0.245 -0.010 1.00 0.28 C ATOM 0 H ILE A 69 -3.192 2.349 0.634 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.986 0.061 1.983 1.00 0.21 H new ATOM 0 HB ILE A 69 -1.107 2.980 1.871 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.203 2.030 -0.380 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.454 2.304 0.121 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.094 2.082 2.528 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.152 1.735 3.751 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.390 0.452 2.643 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.234 0.165 -1.047 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.705 -0.096 0.649 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.977 -0.374 0.141 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.293 0.731 4.417 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.708 0.982 5.793 1.00 0.21 C ATOM 1002 C LEU A 70 -1.519 1.390 6.658 1.00 0.20 C ATOM 1003 O LEU A 70 -1.437 2.528 7.125 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.379 -0.262 6.381 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.557 -0.812 5.571 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.098 -2.082 6.209 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.657 0.233 5.449 1.00 0.38 C ATOM 0 H LEU A 70 -1.671 -0.070 4.303 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.424 1.804 5.784 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.629 -1.047 6.480 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.729 -0.026 7.386 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.200 -1.055 4.570 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -5.934 -2.458 5.619 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.311 -2.835 6.244 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.437 -1.864 7.222 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.485 -0.176 4.870 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.010 0.508 6.443 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.265 1.117 4.946 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.595 0.458 6.869 1.00 0.20 N ATOM 1020 CA ARG A 71 0.582 0.732 7.685 1.00 0.25 C ATOM 1021 C ARG A 71 1.767 -0.131 7.261 1.00 0.18 C ATOM 1022 O ARG A 71 1.610 -1.304 6.922 1.00 0.26 O ATOM 1023 CB ARG A 71 0.265 0.493 9.163 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.149 -0.936 9.475 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.462 -1.115 10.952 1.00 0.77 C ATOM 1026 NE ARG A 71 0.693 -0.823 11.795 1.00 1.38 N ATOM 1027 CZ ARG A 71 0.609 -0.540 13.092 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -0.574 -0.508 13.694 1.00 1.17 N ATOM 1029 NH2 ARG A 71 1.708 -0.286 13.789 1.00 2.61 N ATOM 0 H ARG A 71 -0.638 -0.488 6.489 1.00 0.20 H new ATOM 0 HA ARG A 71 0.855 1.777 7.538 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.142 0.747 9.759 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.534 1.168 9.468 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.024 -1.200 8.882 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.650 -1.619 9.186 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.288 -0.460 11.229 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.792 -2.138 11.131 1.00 0.77 H new ATOM 0 HE ARG A 71 1.618 -0.837 11.365 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.422 -0.701 13.162 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -0.634 -0.291 14.689 1.00 1.17 H new ATOM 0 HH21 ARG A 71 2.619 -0.307 13.331 1.00 2.61 H new ATOM 0 HH22 ARG A 71 1.642 -0.069 14.784 1.00 2.61 H new ATOM 1043 N VAL A 72 2.952 0.470 7.281 1.00 0.21 N ATOM 1044 CA VAL A 72 4.180 -0.226 6.916 1.00 0.17 C ATOM 1045 C VAL A 72 4.805 -0.868 8.153 1.00 0.17 C ATOM 1046 O VAL A 72 4.305 -0.692 9.264 1.00 0.20 O ATOM 1047 CB VAL A 72 5.196 0.743 6.271 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.198 -0.008 5.406 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.475 1.810 5.457 1.00 0.28 C ATOM 0 H VAL A 72 3.088 1.445 7.548 1.00 0.21 H new ATOM 0 HA VAL A 72 3.926 -0.999 6.190 1.00 0.17 H new ATOM 0 HB VAL A 72 5.748 1.234 7.072 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.900 0.699 4.965 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.743 -0.725 6.020 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.670 -0.537 4.613 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.207 2.483 5.010 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.891 1.334 4.669 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.810 2.377 6.108 1.00 0.28 H new ATOM 1059 N ASP A 73 5.882 -1.622 7.965 1.00 0.18 N ATOM 1060 CA ASP A 73 6.558 -2.274 9.083 1.00 0.21 C ATOM 1061 C ASP A 73 6.960 -1.258 10.152 1.00 0.22 C ATOM 1062 O ASP A 73 7.797 -0.387 9.913 1.00 0.23 O ATOM 1063 CB ASP A 73 7.792 -3.033 8.593 1.00 0.26 C ATOM 1064 CG ASP A 73 8.779 -2.134 7.875 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.566 -1.861 6.676 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.764 -1.704 8.511 1.00 0.56 O ATOM 0 H ASP A 73 6.305 -1.797 7.054 1.00 0.18 H new ATOM 0 HA ASP A 73 5.859 -2.982 9.528 1.00 0.21 H new ATOM 0 HB2 ASP A 73 8.286 -3.504 9.443 1.00 0.26 H new ATOM 0 HB3 ASP A 73 7.480 -3.833 7.922 1.00 0.26 H new ATOM 1071 N ASP A 74 6.347 -1.374 11.329 1.00 0.25 N ATOM 1072 CA ASP A 74 6.638 -0.480 12.450 1.00 0.29 C ATOM 1073 C ASP A 74 6.337 0.977 12.105 1.00 0.25 C ATOM 1074 O ASP A 74 6.820 1.893 12.773 1.00 0.29 O ATOM 1075 CB ASP A 74 8.102 -0.621 12.873 1.00 0.35 C ATOM 1076 CG ASP A 74 8.449 -2.034 13.298 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.726 -2.868 12.412 1.00 2.01 O ATOM 1078 OD2 ASP A 74 8.440 -2.306 14.517 1.00 1.34 O ATOM 0 H ASP A 74 5.642 -2.082 11.532 1.00 0.25 H new ATOM 0 HA ASP A 74 5.990 -0.770 13.277 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.746 -0.325 12.045 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.307 0.063 13.696 1.00 0.35 H new ATOM 1083 N VAL A 75 5.536 1.190 11.065 1.00 0.27 N ATOM 1084 CA VAL A 75 5.173 2.541 10.641 1.00 0.27 C ATOM 1085 C VAL A 75 3.725 2.595 10.151 1.00 0.37 C ATOM 1086 O VAL A 75 3.201 1.610 9.633 1.00 0.79 O ATOM 1087 CB VAL A 75 6.105 3.049 9.518 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.715 4.456 9.086 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.558 3.011 9.964 1.00 0.41 C ATOM 0 H VAL A 75 5.126 0.446 10.500 1.00 0.27 H new ATOM 0 HA VAL A 75 5.283 3.186 11.513 1.00 0.27 H new ATOM 0 HB VAL A 75 5.993 2.385 8.661 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.385 4.793 8.295 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.690 4.452 8.716 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.791 5.132 9.938 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.196 3.373 9.158 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.686 3.646 10.841 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.835 1.987 10.214 1.00 0.41 H new ATOM 1099 N ASN A 76 3.084 3.747 10.323 1.00 0.30 N ATOM 1100 CA ASN A 76 1.701 3.929 9.891 1.00 0.37 C ATOM 1101 C ASN A 76 1.603 5.054 8.866 1.00 0.42 C ATOM 1102 O ASN A 76 2.245 6.094 9.013 1.00 0.58 O ATOM 1103 CB ASN A 76 0.801 4.236 11.090 1.00 0.46 C ATOM 1104 CG ASN A 76 1.168 5.538 11.775 1.00 1.35 C ATOM 1105 OD1 ASN A 76 2.330 5.944 11.783 1.00 2.24 O ATOM 1106 ND2 ASN A 76 0.174 6.201 12.356 1.00 2.08 N ATOM 0 H ASN A 76 3.500 4.570 10.759 1.00 0.30 H new ATOM 0 HA ASN A 76 1.365 3.002 9.427 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.236 4.284 10.758 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.869 3.420 11.809 1.00 0.46 H new ATOM 0 HD21 ASN A 76 0.360 7.083 12.833 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -0.775 5.828 12.325 1.00 2.08 H new ATOM 1113 N VAL A 77 0.796 4.845 7.828 1.00 0.35 N ATOM 1114 CA VAL A 77 0.631 5.848 6.781 1.00 0.43 C ATOM 1115 C VAL A 77 -0.807 6.352 6.714 1.00 0.53 C ATOM 1116 O VAL A 77 -1.282 6.765 5.656 1.00 0.67 O ATOM 1117 CB VAL A 77 1.038 5.291 5.403 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.519 4.947 5.384 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.198 4.075 5.048 1.00 0.53 C ATOM 0 H VAL A 77 0.249 3.995 7.691 1.00 0.35 H new ATOM 0 HA VAL A 77 1.287 6.680 7.037 1.00 0.43 H new ATOM 0 HB VAL A 77 0.856 6.061 4.653 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.789 4.555 4.403 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.103 5.844 5.590 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.728 4.195 6.145 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.500 3.696 4.072 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.345 3.299 5.799 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.855 4.356 5.018 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.494 6.319 7.851 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.876 6.777 7.924 1.00 0.72 C ATOM 1131 C GLN A 78 -2.951 8.211 8.442 1.00 0.61 C ATOM 1132 O GLN A 78 -3.896 8.578 9.143 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.694 5.850 8.825 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.796 4.427 8.303 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.503 4.350 6.963 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.871 4.436 5.910 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -5.820 4.186 6.997 1.00 1.05 N ATOM 0 H GLN A 78 -1.116 5.979 8.735 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.293 6.755 6.917 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.244 5.832 9.818 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.698 6.260 8.937 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.795 4.006 8.207 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.331 3.815 9.029 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.303 4.120 7.893 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.349 4.126 6.127 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.952 9.017 8.094 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.931 10.401 8.536 1.00 0.48 C ATOM 1148 C GLY A 79 -0.640 11.113 8.182 1.00 0.41 C ATOM 1149 O GLY A 79 -0.231 12.045 8.875 1.00 0.55 O ATOM 0 H GLY A 79 -1.159 8.738 7.516 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.769 10.934 8.086 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.074 10.435 9.616 1.00 0.48 H new ATOM 1153 N MET A 80 0.003 10.679 7.102 1.00 0.32 N ATOM 1154 CA MET A 80 1.254 11.289 6.660 1.00 0.33 C ATOM 1155 C MET A 80 1.160 11.717 5.199 1.00 0.30 C ATOM 1156 O MET A 80 0.500 11.061 4.392 1.00 0.34 O ATOM 1157 CB MET A 80 2.417 10.312 6.846 1.00 0.39 C ATOM 1158 CG MET A 80 2.501 9.722 8.245 1.00 0.46 C ATOM 1159 SD MET A 80 4.048 8.843 8.540 1.00 0.52 S ATOM 1160 CE MET A 80 4.056 7.690 7.169 1.00 0.48 C ATOM 0 H MET A 80 -0.320 9.908 6.517 1.00 0.32 H new ATOM 0 HA MET A 80 1.435 12.175 7.269 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.318 9.501 6.124 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.351 10.826 6.621 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.397 10.521 8.979 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.665 9.039 8.397 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.286 6.690 7.536 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.076 7.685 6.692 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.811 7.993 6.444 1.00 0.48 H new ATOM 1170 N ALA A 81 1.822 12.822 4.865 1.00 0.29 N ATOM 1171 CA ALA A 81 1.808 13.339 3.500 1.00 0.31 C ATOM 1172 C ALA A 81 2.489 12.371 2.538 1.00 0.26 C ATOM 1173 O ALA A 81 3.286 11.531 2.954 1.00 0.23 O ATOM 1174 CB ALA A 81 2.478 14.704 3.445 1.00 0.39 C ATOM 0 H ALA A 81 2.374 13.376 5.520 1.00 0.29 H new ATOM 0 HA ALA A 81 0.769 13.445 3.189 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.460 15.077 2.421 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.943 15.398 4.093 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.511 14.616 3.781 1.00 0.39 H new ATOM 1180 N GLN A 82 2.171 12.499 1.252 1.00 0.33 N ATOM 1181 CA GLN A 82 2.744 11.630 0.227 1.00 0.35 C ATOM 1182 C GLN A 82 4.264 11.555 0.342 1.00 0.31 C ATOM 1183 O GLN A 82 4.830 10.474 0.503 1.00 0.31 O ATOM 1184 CB GLN A 82 2.351 12.126 -1.167 1.00 0.42 C ATOM 1185 CG GLN A 82 2.972 11.320 -2.297 1.00 0.51 C ATOM 1186 CD GLN A 82 2.513 11.784 -3.665 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.125 12.660 -4.275 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.428 11.196 -4.156 1.00 0.74 N ATOM 0 H GLN A 82 1.519 13.197 0.895 1.00 0.33 H new ATOM 0 HA GLN A 82 2.344 10.628 0.381 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.266 12.094 -1.263 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.649 13.169 -1.270 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.058 11.395 -2.238 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.718 10.268 -2.170 1.00 0.51 H new ATOM 0 HE21 GLN A 82 0.951 10.474 -3.616 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.072 11.467 -5.073 1.00 0.74 H new ATOM 1197 N SER A 83 4.917 12.711 0.257 1.00 0.32 N ATOM 1198 CA SER A 83 6.373 12.782 0.341 1.00 0.35 C ATOM 1199 C SER A 83 6.894 12.075 1.590 1.00 0.30 C ATOM 1200 O SER A 83 7.917 11.392 1.542 1.00 0.35 O ATOM 1201 CB SER A 83 6.833 14.240 0.340 1.00 0.44 C ATOM 1202 OG SER A 83 8.243 14.331 0.444 1.00 1.48 O ATOM 0 H SER A 83 4.459 13.614 0.130 1.00 0.32 H new ATOM 0 HA SER A 83 6.781 12.274 -0.533 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.501 14.729 -0.576 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.369 14.771 1.171 1.00 0.44 H new ATOM 0 HG SER A 83 8.511 15.274 0.440 1.00 1.48 H new ATOM 1208 N ASP A 84 6.188 12.240 2.703 1.00 0.24 N ATOM 1209 CA ASP A 84 6.587 11.617 3.961 1.00 0.24 C ATOM 1210 C ASP A 84 6.599 10.096 3.838 1.00 0.20 C ATOM 1211 O ASP A 84 7.560 9.438 4.238 1.00 0.24 O ATOM 1212 CB ASP A 84 5.642 12.042 5.086 1.00 0.27 C ATOM 1213 CG ASP A 84 6.093 11.534 6.441 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.853 10.345 6.738 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.685 12.325 7.206 1.00 0.97 O ATOM 0 H ASP A 84 5.337 12.799 2.760 1.00 0.24 H new ATOM 0 HA ASP A 84 7.597 11.951 4.198 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.578 13.130 5.112 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.640 11.668 4.876 1.00 0.27 H new ATOM 1220 N VAL A 85 5.523 9.545 3.282 1.00 0.19 N ATOM 1221 CA VAL A 85 5.405 8.102 3.104 1.00 0.22 C ATOM 1222 C VAL A 85 6.562 7.554 2.274 1.00 0.21 C ATOM 1223 O VAL A 85 7.106 6.490 2.574 1.00 0.24 O ATOM 1224 CB VAL A 85 4.073 7.728 2.424 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.940 6.219 2.289 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.898 8.305 3.199 1.00 0.30 C ATOM 0 H VAL A 85 4.720 10.077 2.947 1.00 0.19 H new ATOM 0 HA VAL A 85 5.434 7.656 4.098 1.00 0.22 H new ATOM 0 HB VAL A 85 4.068 8.158 1.423 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.993 5.979 1.807 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.762 5.834 1.686 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.970 5.761 3.278 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.966 8.031 2.704 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.901 7.907 4.214 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.984 9.391 3.235 1.00 0.30 H new ATOM 1236 N VAL A 86 6.936 8.291 1.232 1.00 0.22 N ATOM 1237 CA VAL A 86 8.032 7.882 0.362 1.00 0.25 C ATOM 1238 C VAL A 86 9.348 7.831 1.131 1.00 0.24 C ATOM 1239 O VAL A 86 10.166 6.936 0.920 1.00 0.26 O ATOM 1240 CB VAL A 86 8.178 8.834 -0.842 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.356 8.426 -1.714 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.892 8.862 -1.653 1.00 0.34 C ATOM 0 H VAL A 86 6.496 9.173 0.971 1.00 0.22 H new ATOM 0 HA VAL A 86 7.794 6.884 -0.007 1.00 0.25 H new ATOM 0 HB VAL A 86 8.370 9.838 -0.465 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.439 9.112 -2.557 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.273 8.461 -1.126 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.201 7.413 -2.085 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.010 9.538 -2.500 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.670 7.859 -2.018 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.072 9.209 -1.024 1.00 0.34 H new ATOM 1252 N GLU A 87 9.546 8.798 2.025 1.00 0.25 N ATOM 1253 CA GLU A 87 10.760 8.853 2.831 1.00 0.26 C ATOM 1254 C GLU A 87 10.909 7.579 3.654 1.00 0.24 C ATOM 1255 O GLU A 87 12.006 7.040 3.790 1.00 0.26 O ATOM 1256 CB GLU A 87 10.735 10.072 3.755 1.00 0.32 C ATOM 1257 CG GLU A 87 10.778 11.399 3.016 1.00 0.75 C ATOM 1258 CD GLU A 87 10.727 12.591 3.952 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.801 13.029 4.414 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.613 13.087 4.222 1.00 1.51 O ATOM 0 H GLU A 87 8.883 9.551 2.208 1.00 0.25 H new ATOM 0 HA GLU A 87 11.614 8.940 2.159 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.833 10.035 4.366 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.584 10.018 4.436 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.689 11.449 2.420 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.939 11.451 2.322 1.00 0.75 H new ATOM 1267 N VAL A 88 9.793 7.106 4.199 1.00 0.22 N ATOM 1268 CA VAL A 88 9.787 5.893 5.006 1.00 0.22 C ATOM 1269 C VAL A 88 10.268 4.691 4.199 1.00 0.23 C ATOM 1270 O VAL A 88 11.178 3.972 4.618 1.00 0.25 O ATOM 1271 CB VAL A 88 8.376 5.598 5.555 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.311 4.202 6.162 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.975 6.651 6.577 1.00 0.27 C ATOM 0 H VAL A 88 8.879 7.546 4.095 1.00 0.22 H new ATOM 0 HA VAL A 88 10.469 6.061 5.839 1.00 0.22 H new ATOM 0 HB VAL A 88 7.670 5.636 4.726 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.306 4.017 6.542 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.552 3.462 5.399 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.028 4.127 6.980 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.977 6.429 6.955 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.686 6.645 7.403 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.974 7.634 6.106 1.00 0.27 H new ATOM 1283 N LEU A 89 9.648 4.477 3.043 1.00 0.24 N ATOM 1284 CA LEU A 89 10.001 3.359 2.176 1.00 0.28 C ATOM 1285 C LEU A 89 11.494 3.352 1.856 1.00 0.32 C ATOM 1286 O LEU A 89 12.118 2.294 1.786 1.00 0.39 O ATOM 1287 CB LEU A 89 9.196 3.421 0.875 1.00 0.32 C ATOM 1288 CG LEU A 89 7.677 3.452 1.046 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.995 3.667 -0.297 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.184 2.166 1.693 1.00 0.35 C ATOM 0 H LEU A 89 8.896 5.065 2.684 1.00 0.24 H new ATOM 0 HA LEU A 89 9.760 2.439 2.709 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.501 4.309 0.321 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.458 2.558 0.263 1.00 0.32 H new ATOM 0 HG LEU A 89 7.422 4.285 1.701 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.914 3.686 -0.157 1.00 0.41 H new ATOM 0 HD12 LEU A 89 7.323 4.615 -0.724 1.00 0.41 H new ATOM 0 HD13 LEU A 89 7.259 2.854 -0.973 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.101 2.208 1.806 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.451 1.317 1.064 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.647 2.051 2.673 1.00 0.35 H new ATOM 1302 N ARG A 90 12.060 4.540 1.665 1.00 0.31 N ATOM 1303 CA ARG A 90 13.478 4.670 1.343 1.00 0.37 C ATOM 1304 C ARG A 90 14.341 4.580 2.599 1.00 0.37 C ATOM 1305 O ARG A 90 15.532 4.281 2.521 1.00 0.48 O ATOM 1306 CB ARG A 90 13.736 5.996 0.623 1.00 0.41 C ATOM 1307 CG ARG A 90 12.977 6.135 -0.688 1.00 0.49 C ATOM 1308 CD ARG A 90 13.178 7.509 -1.306 1.00 0.72 C ATOM 1309 NE ARG A 90 12.704 8.576 -0.429 1.00 1.00 N ATOM 1310 CZ ARG A 90 13.138 9.831 -0.492 1.00 1.59 C ATOM 1311 NH1 ARG A 90 14.051 10.179 -1.390 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.660 10.741 0.344 1.00 2.10 N ATOM 0 H ARG A 90 11.559 5.426 1.728 1.00 0.31 H new ATOM 0 HA ARG A 90 13.751 3.845 0.685 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.458 6.818 1.283 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.804 6.091 0.427 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.312 5.368 -1.387 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.914 5.965 -0.514 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.236 7.659 -1.521 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.649 7.560 -2.258 1.00 0.72 H new ATOM 0 HE ARG A 90 12.000 8.345 0.272 1.00 1.00 H new ATOM 0 HH11 ARG A 90 14.423 9.482 -2.036 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.381 11.143 -1.435 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.959 10.479 1.037 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.994 11.704 0.295 1.00 2.10 H new ATOM 1326 N ASN A 91 13.733 4.839 3.753 1.00 0.32 N ATOM 1327 CA ASN A 91 14.452 4.786 5.023 1.00 0.36 C ATOM 1328 C ASN A 91 14.371 3.395 5.644 1.00 0.36 C ATOM 1329 O ASN A 91 14.990 3.130 6.675 1.00 0.42 O ATOM 1330 CB ASN A 91 13.896 5.827 5.997 1.00 0.38 C ATOM 1331 CG ASN A 91 14.355 7.237 5.669 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.548 7.520 4.385 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 14.531 8.065 6.563 1.00 1.14 N flip ATOM 0 H ASN A 91 12.747 5.087 3.836 1.00 0.32 H new ATOM 0 HA ASN A 91 15.499 5.011 4.822 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.807 5.790 5.980 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.207 5.574 7.010 1.00 0.38 H new ATOM 0 HD21 ASN A 91 14.371 7.806 7.537 1.00 1.14 H new ATOM 0 HD22 ASN A 91 14.837 9.010 6.330 1.00 1.14 H new ATOM 1340 N ALA A 92 13.600 2.511 5.014 1.00 0.32 N ATOM 1341 CA ALA A 92 13.444 1.145 5.502 1.00 0.34 C ATOM 1342 C ALA A 92 14.800 0.468 5.686 1.00 0.46 C ATOM 1343 O ALA A 92 15.244 0.247 6.813 1.00 0.55 O ATOM 1344 CB ALA A 92 12.570 0.342 4.549 1.00 0.32 C ATOM 0 H ALA A 92 13.074 2.717 4.165 1.00 0.32 H new ATOM 0 HA ALA A 92 12.956 1.185 6.476 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.462 -0.675 4.925 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.588 0.808 4.476 1.00 0.32 H new ATOM 0 HB3 ALA A 92 13.034 0.317 3.563 1.00 0.32 H new ATOM 1350 N GLY A 93 15.456 0.141 4.575 1.00 0.53 N ATOM 1351 CA GLY A 93 16.756 -0.509 4.644 1.00 0.68 C ATOM 1352 C GLY A 93 16.689 -1.874 5.303 1.00 0.66 C ATOM 1353 O GLY A 93 17.719 -2.470 5.622 1.00 0.76 O ATOM 0 H GLY A 93 15.112 0.314 3.630 1.00 0.53 H new ATOM 0 HA2 GLY A 93 17.160 -0.615 3.637 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.447 0.125 5.199 1.00 0.68 H new ATOM 1357 N ASN A 94 15.473 -2.362 5.513 1.00 0.54 N ATOM 1358 CA ASN A 94 15.259 -3.664 6.136 1.00 0.54 C ATOM 1359 C ASN A 94 13.996 -4.318 5.567 1.00 0.43 C ATOM 1360 O ASN A 94 13.291 -3.696 4.772 1.00 0.39 O ATOM 1361 CB ASN A 94 15.156 -3.508 7.662 1.00 0.59 C ATOM 1362 CG ASN A 94 13.756 -3.162 8.144 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.051 -2.323 7.394 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 13.317 -3.637 9.191 1.00 2.52 N flip ATOM 0 H ASN A 94 14.614 -1.873 5.260 1.00 0.54 H new ATOM 0 HA ASN A 94 16.108 -4.310 5.915 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.476 -4.436 8.136 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.846 -2.729 7.987 1.00 0.59 H new ATOM 0 HD21 ASN A 94 13.890 -4.279 9.740 1.00 2.52 H new ATOM 0 HD22 ASN A 94 12.380 -3.389 9.510 1.00 2.52 H new ATOM 1371 N PRO A 95 13.701 -5.588 5.924 1.00 0.41 N ATOM 1372 CA PRO A 95 12.494 -6.269 5.446 1.00 0.35 C ATOM 1373 C PRO A 95 11.257 -5.388 5.607 1.00 0.32 C ATOM 1374 O PRO A 95 10.696 -5.282 6.698 1.00 0.45 O ATOM 1375 CB PRO A 95 12.407 -7.500 6.345 1.00 0.44 C ATOM 1376 CG PRO A 95 13.821 -7.796 6.709 1.00 0.64 C ATOM 1377 CD PRO A 95 14.520 -6.465 6.790 1.00 0.51 C ATOM 0 HA PRO A 95 12.539 -6.514 4.385 1.00 0.35 H new ATOM 0 HB2 PRO A 95 11.802 -7.303 7.230 1.00 0.44 H new ATOM 0 HB3 PRO A 95 11.947 -8.340 5.825 1.00 0.44 H new ATOM 0 HG2 PRO A 95 13.876 -8.323 7.661 1.00 0.64 H new ATOM 0 HG3 PRO A 95 14.289 -8.437 5.962 1.00 0.64 H new ATOM 0 HD2 PRO A 95 14.558 -6.094 7.814 1.00 0.51 H new ATOM 0 HD3 PRO A 95 15.549 -6.530 6.436 1.00 0.51 H new ATOM 1385 N VAL A 96 10.840 -4.759 4.512 1.00 0.28 N ATOM 1386 CA VAL A 96 9.687 -3.865 4.533 1.00 0.33 C ATOM 1387 C VAL A 96 8.374 -4.635 4.463 1.00 0.28 C ATOM 1388 O VAL A 96 8.065 -5.265 3.452 1.00 0.30 O ATOM 1389 CB VAL A 96 9.731 -2.861 3.364 1.00 0.41 C ATOM 1390 CG1 VAL A 96 8.879 -1.639 3.674 1.00 0.64 C ATOM 1391 CG2 VAL A 96 11.163 -2.455 3.056 1.00 0.38 C ATOM 0 H VAL A 96 11.284 -4.852 3.598 1.00 0.28 H new ATOM 0 HA VAL A 96 9.737 -3.326 5.479 1.00 0.33 H new ATOM 0 HB VAL A 96 9.319 -3.349 2.480 1.00 0.41 H new ATOM 0 HG11 VAL A 96 8.923 -0.943 2.837 1.00 0.64 H new ATOM 0 HG12 VAL A 96 7.846 -1.947 3.835 1.00 0.64 H new ATOM 0 HG13 VAL A 96 9.256 -1.151 4.572 1.00 0.64 H new ATOM 0 HG21 VAL A 96 11.170 -1.746 2.228 1.00 0.38 H new ATOM 0 HG22 VAL A 96 11.606 -1.989 3.936 1.00 0.38 H new ATOM 0 HG23 VAL A 96 11.741 -3.338 2.783 1.00 0.38 H new ATOM 1401 N ARG A 97 7.602 -4.575 5.542 1.00 0.24 N ATOM 1402 CA ARG A 97 6.315 -5.254 5.595 1.00 0.22 C ATOM 1403 C ARG A 97 5.221 -4.308 5.123 1.00 0.18 C ATOM 1404 O ARG A 97 5.089 -3.194 5.633 1.00 0.18 O ATOM 1405 CB ARG A 97 6.013 -5.743 7.014 1.00 0.27 C ATOM 1406 CG ARG A 97 4.728 -6.548 7.111 1.00 0.69 C ATOM 1407 CD ARG A 97 4.456 -7.003 8.537 1.00 0.71 C ATOM 1408 NE ARG A 97 3.243 -7.812 8.629 1.00 1.21 N ATOM 1409 CZ ARG A 97 2.740 -8.261 9.774 1.00 1.38 C ATOM 1410 NH1 ARG A 97 3.336 -7.974 10.924 1.00 0.88 N ATOM 1411 NH2 ARG A 97 1.634 -8.994 9.770 1.00 2.37 N ATOM 0 H ARG A 97 7.845 -4.064 6.390 1.00 0.24 H new ATOM 0 HA ARG A 97 6.352 -6.124 4.939 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.844 -6.355 7.365 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.946 -4.883 7.681 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.893 -5.944 6.756 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.793 -7.418 6.457 1.00 0.69 H new ATOM 0 HD2 ARG A 97 5.306 -7.580 8.902 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.361 -6.131 9.184 1.00 0.71 H new ATOM 0 HE ARG A 97 2.754 -8.046 7.765 1.00 1.21 H new ATOM 0 HH11 ARG A 97 4.184 -7.407 10.931 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.947 -8.321 11.801 1.00 0.88 H new ATOM 0 HH21 ARG A 97 1.170 -9.213 8.888 1.00 2.37 H new ATOM 0 HH22 ARG A 97 1.248 -9.339 10.649 1.00 2.37 H new ATOM 1425 N LEU A 98 4.438 -4.752 4.148 1.00 0.19 N ATOM 1426 CA LEU A 98 3.373 -3.926 3.597 1.00 0.18 C ATOM 1427 C LEU A 98 1.995 -4.444 3.993 1.00 0.18 C ATOM 1428 O LEU A 98 1.511 -5.433 3.440 1.00 0.30 O ATOM 1429 CB LEU A 98 3.483 -3.881 2.073 1.00 0.23 C ATOM 1430 CG LEU A 98 4.875 -3.566 1.524 1.00 0.25 C ATOM 1431 CD1 LEU A 98 4.896 -3.729 0.012 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.299 -2.157 1.910 1.00 0.37 C ATOM 0 H LEU A 98 4.520 -5.676 3.724 1.00 0.19 H new ATOM 0 HA LEU A 98 3.488 -2.923 4.007 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.163 -4.844 1.674 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.785 -3.133 1.697 1.00 0.23 H new ATOM 0 HG LEU A 98 5.584 -4.269 1.961 1.00 0.25 H new ATOM 0 HD11 LEU A 98 5.893 -3.501 -0.365 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.636 -4.755 -0.247 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.174 -3.047 -0.438 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.292 -1.953 1.510 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.589 -1.438 1.501 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.321 -2.068 2.996 1.00 0.37 H new ATOM 1444 N LEU A 99 1.367 -3.772 4.951 1.00 0.18 N ATOM 1445 CA LEU A 99 0.032 -4.152 5.394 1.00 0.19 C ATOM 1446 C LEU A 99 -1.001 -3.299 4.670 1.00 0.19 C ATOM 1447 O LEU A 99 -1.245 -2.151 5.042 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.106 -3.981 6.910 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.391 -4.556 7.513 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.463 -6.059 7.285 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.473 -4.238 8.998 1.00 0.36 C ATOM 0 H LEU A 99 1.760 -2.964 5.434 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.135 -5.203 5.157 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.748 -4.456 7.393 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.056 -2.918 7.146 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.241 -4.091 7.014 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.383 -6.449 7.720 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.452 -6.266 6.215 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.606 -6.540 7.756 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.393 -4.654 9.409 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.616 -4.674 9.511 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.469 -3.157 9.139 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.604 -3.867 3.630 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.587 -3.144 2.835 1.00 0.23 C ATOM 1465 C LEU A 100 -3.866 -3.950 2.644 1.00 0.24 C ATOM 1466 O LEU A 100 -3.915 -5.144 2.942 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.986 -2.786 1.473 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.008 -3.816 0.898 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.740 -5.077 0.464 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.234 -3.223 -0.269 1.00 0.31 C ATOM 0 H LEU A 100 -1.429 -4.823 3.320 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.849 -2.234 3.374 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.799 -2.645 0.761 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.470 -1.830 1.562 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.301 -4.086 1.682 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.024 -5.792 0.059 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.247 -5.517 1.323 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.474 -4.826 -0.302 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.456 -3.969 -0.665 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.930 -2.921 -1.052 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.328 -2.353 0.072 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.901 -3.279 2.145 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.185 -3.918 1.900 1.00 0.29 C ATOM 1484 C ILE A 101 -6.544 -3.862 0.416 1.00 0.32 C ATOM 1485 O ILE A 101 -6.245 -2.880 -0.269 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.311 -3.252 2.719 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.623 -4.025 2.549 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.486 -1.800 2.297 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.745 -3.517 3.430 1.00 0.45 C ATOM 0 H ILE A 101 -4.872 -2.289 1.902 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.091 -4.958 2.212 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.034 -3.273 3.773 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.936 -3.967 1.507 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.446 -5.077 2.771 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.284 -1.344 2.884 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.556 -1.257 2.466 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.744 -1.757 1.239 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.642 -4.111 3.256 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.452 -3.600 4.477 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.950 -2.473 3.193 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.180 -4.920 -0.071 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.583 -4.994 -1.471 1.00 0.46 C ATOM 1503 C ARG A 102 -9.039 -5.432 -1.582 1.00 0.60 C ATOM 1504 O ARG A 102 -9.417 -6.490 -1.079 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.680 -5.969 -2.231 1.00 0.70 C ATOM 1506 CG ARG A 102 -6.210 -5.447 -3.581 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.380 -5.097 -4.487 1.00 1.35 C ATOM 1508 NE ARG A 102 -6.936 -4.648 -5.805 1.00 1.49 N ATOM 1509 CZ ARG A 102 -7.733 -4.577 -6.867 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.012 -4.918 -6.764 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -7.256 -4.163 -8.032 1.00 2.20 N ATOM 0 H ARG A 102 -7.428 -5.740 0.483 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.482 -4.003 -1.914 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.809 -6.197 -1.617 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.217 -6.905 -2.381 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.587 -4.565 -3.433 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -5.587 -6.199 -4.065 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.025 -5.968 -4.599 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -7.979 -4.315 -4.020 1.00 1.35 H new ATOM 0 HE ARG A 102 -5.960 -4.374 -5.916 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -9.385 -5.235 -5.869 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.622 -4.863 -7.580 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -6.275 -3.898 -8.116 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -7.870 -4.110 -8.845 1.00 2.20 H new