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 49 LYS NZ :NH3+ 164:sc= 0.023 (180deg=-0.409) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.0998 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 15 SER OG : rot 90:sc= -0.539 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -160:sc= -0.0572 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -150:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -69:sc= 0.216 USER MOD Single : A 66 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.53) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.081) USER MOD Single : A 78 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.39) USER MOD Single : A 80 MET CE :methyl -139:sc= -0.691 (180deg=-2.08) USER MOD Single : A 82 GLN : amide:sc= -0.928 X(o=-0.93,f=-0.77) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.319 F(o=-3.3,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.217 -7.628 0.988 1.00 0.55 N ATOM 139 CA SER A 12 -9.608 -8.362 2.089 1.00 0.45 C ATOM 140 C SER A 12 -8.316 -7.697 2.548 1.00 0.39 C ATOM 141 O SER A 12 -7.587 -7.107 1.745 1.00 0.38 O ATOM 142 CB SER A 12 -9.330 -9.808 1.673 1.00 0.51 C ATOM 143 OG SER A 12 -8.744 -10.541 2.735 1.00 0.90 O ATOM 0 HA SER A 12 -10.310 -8.357 2.923 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.260 -10.287 1.367 1.00 0.51 H new ATOM 0 HB3 SER A 12 -8.666 -9.820 0.809 1.00 0.51 H new ATOM 0 HG SER A 12 -8.578 -11.462 2.444 1.00 0.90 H new ATOM 149 N LEU A 13 -8.043 -7.798 3.845 1.00 0.41 N ATOM 150 CA LEU A 13 -6.839 -7.219 4.428 1.00 0.40 C ATOM 151 C LEU A 13 -5.700 -8.232 4.406 1.00 0.45 C ATOM 152 O LEU A 13 -5.654 -9.144 5.232 1.00 0.68 O ATOM 153 CB LEU A 13 -7.110 -6.776 5.869 1.00 0.56 C ATOM 154 CG LEU A 13 -8.269 -5.794 6.044 1.00 0.63 C ATOM 155 CD1 LEU A 13 -8.616 -5.632 7.516 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.915 -4.449 5.433 1.00 0.79 C ATOM 0 H LEU A 13 -8.644 -8.278 4.515 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.551 -6.350 3.836 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -7.311 -7.661 6.472 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -6.204 -6.318 6.267 1.00 0.56 H new ATOM 0 HG LEU A 13 -9.142 -6.194 5.528 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -9.443 -4.929 7.620 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.906 -6.598 7.930 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -7.748 -5.253 8.055 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.749 -3.759 5.564 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -7.030 -4.047 5.926 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.712 -4.575 4.369 1.00 0.79 H new ATOM 168 N TYR A 14 -4.780 -8.071 3.458 1.00 0.36 N ATOM 169 CA TYR A 14 -3.651 -8.986 3.339 1.00 0.50 C ATOM 170 C TYR A 14 -2.324 -8.235 3.386 1.00 0.31 C ATOM 171 O TYR A 14 -2.233 -7.082 2.961 1.00 0.37 O ATOM 172 CB TYR A 14 -3.757 -9.804 2.049 1.00 0.80 C ATOM 173 CG TYR A 14 -3.657 -8.984 0.782 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.769 -8.322 0.277 1.00 0.71 C ATOM 175 CD2 TYR A 14 -2.452 -8.862 0.096 1.00 1.20 C ATOM 176 CE1 TYR A 14 -4.686 -7.563 -0.875 1.00 1.34 C ATOM 177 CE2 TYR A 14 -2.364 -8.105 -1.056 1.00 1.90 C ATOM 178 CZ TYR A 14 -3.463 -7.496 -1.560 1.00 1.98 C ATOM 179 OH TYR A 14 -3.397 -6.702 -2.684 1.00 2.73 O ATOM 0 H TYR A 14 -4.794 -7.321 2.767 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.682 -9.668 4.189 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -2.968 -10.557 2.044 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -4.707 -10.338 2.048 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -5.714 -8.402 0.793 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -1.573 -9.366 0.470 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -5.550 -7.029 -1.243 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -1.413 -7.998 -1.557 1.00 1.90 H new ATOM 0 HH TYR A 14 -2.494 -6.744 -3.062 1.00 2.73 H new ATOM 189 N SER A 15 -1.296 -8.896 3.910 1.00 0.43 N ATOM 190 CA SER A 15 0.027 -8.293 4.019 1.00 0.38 C ATOM 191 C SER A 15 1.035 -9.033 3.147 1.00 0.33 C ATOM 192 O SER A 15 0.864 -10.215 2.848 1.00 0.41 O ATOM 193 CB SER A 15 0.492 -8.305 5.476 1.00 0.59 C ATOM 194 OG SER A 15 -0.552 -7.912 6.348 1.00 1.19 O ATOM 0 H SER A 15 -1.355 -9.850 4.266 1.00 0.43 H new ATOM 0 HA SER A 15 -0.039 -7.262 3.671 1.00 0.38 H new ATOM 0 HB2 SER A 15 0.836 -9.304 5.743 1.00 0.59 H new ATOM 0 HB3 SER A 15 1.342 -7.633 5.595 1.00 0.59 H new ATOM 0 HG SER A 15 -1.061 -8.702 6.626 1.00 1.19 H new ATOM 200 N VAL A 16 2.087 -8.329 2.742 1.00 0.32 N ATOM 201 CA VAL A 16 3.128 -8.915 1.907 1.00 0.33 C ATOM 202 C VAL A 16 4.494 -8.759 2.567 1.00 0.31 C ATOM 203 O VAL A 16 4.687 -7.881 3.408 1.00 0.44 O ATOM 204 CB VAL A 16 3.160 -8.267 0.509 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.933 -9.137 -0.468 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.746 -8.012 0.004 1.00 0.56 C ATOM 0 H VAL A 16 2.241 -7.349 2.980 1.00 0.32 H new ATOM 0 HA VAL A 16 2.896 -9.974 1.794 1.00 0.33 H new ATOM 0 HB VAL A 16 3.672 -7.308 0.587 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.944 -8.662 -1.449 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.956 -9.261 -0.114 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.454 -10.113 -0.543 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.790 -7.554 -0.984 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.206 -8.957 -0.057 1.00 0.56 H new ATOM 0 HG23 VAL A 16 1.229 -7.342 0.692 1.00 0.56 H new ATOM 216 N GLU A 17 5.441 -9.612 2.187 1.00 0.33 N ATOM 217 CA GLU A 17 6.783 -9.560 2.757 1.00 0.34 C ATOM 218 C GLU A 17 7.825 -9.217 1.697 1.00 0.32 C ATOM 219 O GLU A 17 8.148 -10.039 0.840 1.00 0.38 O ATOM 220 CB GLU A 17 7.132 -10.896 3.414 1.00 0.45 C ATOM 221 CG GLU A 17 6.176 -11.293 4.528 1.00 0.71 C ATOM 222 CD GLU A 17 6.499 -12.653 5.115 1.00 1.18 C ATOM 223 OE1 GLU A 17 7.313 -12.714 6.060 1.00 1.74 O ATOM 224 OE2 GLU A 17 5.937 -13.658 4.628 1.00 1.42 O ATOM 0 H GLU A 17 5.305 -10.344 1.490 1.00 0.33 H new ATOM 0 HA GLU A 17 6.793 -8.773 3.511 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.134 -11.676 2.653 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.143 -10.840 3.817 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.212 -10.542 5.318 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.157 -11.301 4.142 1.00 0.71 H new ATOM 231 N LEU A 18 8.349 -7.994 1.765 1.00 0.31 N ATOM 232 CA LEU A 18 9.360 -7.538 0.818 1.00 0.34 C ATOM 233 C LEU A 18 10.668 -7.232 1.538 1.00 0.38 C ATOM 234 O LEU A 18 10.664 -6.752 2.672 1.00 0.68 O ATOM 235 CB LEU A 18 8.881 -6.286 0.071 1.00 0.40 C ATOM 236 CG LEU A 18 7.942 -6.533 -1.115 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.605 -7.426 -2.153 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.630 -7.140 -0.646 1.00 0.71 C ATOM 0 H LEU A 18 8.088 -7.302 2.468 1.00 0.31 H new ATOM 0 HA LEU A 18 9.527 -8.338 0.097 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.373 -5.634 0.782 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.756 -5.745 -0.289 1.00 0.40 H new ATOM 0 HG LEU A 18 7.726 -5.572 -1.581 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.920 -7.587 -2.985 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.513 -6.947 -2.518 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.858 -8.385 -1.700 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.979 -7.307 -1.504 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.826 -8.090 -0.149 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.143 -6.459 0.052 1.00 0.71 H new ATOM 250 N PHE A 19 11.785 -7.511 0.876 1.00 0.41 N ATOM 251 CA PHE A 19 13.096 -7.259 1.460 1.00 0.43 C ATOM 252 C PHE A 19 13.880 -6.255 0.622 1.00 0.49 C ATOM 253 O PHE A 19 14.176 -6.501 -0.547 1.00 0.59 O ATOM 254 CB PHE A 19 13.885 -8.566 1.608 1.00 0.48 C ATOM 255 CG PHE A 19 14.005 -9.359 0.336 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.952 -10.140 -0.109 1.00 0.74 C ATOM 257 CD2 PHE A 19 15.169 -9.317 -0.417 1.00 1.50 C ATOM 258 CE1 PHE A 19 13.056 -10.868 -1.278 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.279 -10.042 -1.588 1.00 2.08 C ATOM 260 CZ PHE A 19 14.237 -10.831 -2.010 1.00 1.94 C ATOM 0 H PHE A 19 11.809 -7.910 -0.062 1.00 0.41 H new ATOM 0 HA PHE A 19 12.946 -6.833 2.452 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.885 -8.334 1.975 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.403 -9.185 2.365 1.00 0.48 H new ATOM 0 HD1 PHE A 19 12.038 -10.180 0.465 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.999 -8.711 -0.084 1.00 1.50 H new ATOM 0 HE1 PHE A 19 12.223 -11.464 -1.622 1.00 1.25 H new ATOM 0 HE2 PHE A 19 16.186 -9.988 -2.172 1.00 2.08 H new ATOM 0 HZ PHE A 19 14.335 -11.422 -2.909 1.00 1.94 H new ATOM 270 N ARG A 20 14.202 -5.117 1.227 1.00 0.52 N ATOM 271 CA ARG A 20 14.952 -4.076 0.536 1.00 0.66 C ATOM 272 C ARG A 20 16.362 -3.962 1.107 1.00 0.68 C ATOM 273 O ARG A 20 16.602 -4.310 2.262 1.00 0.83 O ATOM 274 CB ARG A 20 14.214 -2.740 0.653 1.00 0.73 C ATOM 275 CG ARG A 20 14.916 -1.588 -0.045 1.00 0.99 C ATOM 276 CD ARG A 20 14.056 -0.336 -0.044 1.00 1.19 C ATOM 277 NE ARG A 20 14.849 0.873 -0.237 1.00 1.60 N ATOM 278 CZ ARG A 20 14.580 1.794 -1.156 1.00 2.26 C ATOM 279 NH1 ARG A 20 13.545 1.641 -1.972 1.00 2.52 N ATOM 280 NH2 ARG A 20 15.346 2.871 -1.260 1.00 3.06 N ATOM 0 H ARG A 20 13.956 -4.893 2.191 1.00 0.52 H new ATOM 0 HA ARG A 20 15.035 -4.342 -0.518 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.214 -2.850 0.235 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.093 -2.494 1.708 1.00 0.73 H new ATOM 0 HG2 ARG A 20 15.863 -1.381 0.453 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.150 -1.870 -1.071 1.00 0.99 H new ATOM 0 HD2 ARG A 20 13.309 -0.409 -0.834 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.516 -0.268 0.900 1.00 1.19 H new ATOM 0 HE ARG A 20 15.657 1.020 0.369 1.00 1.60 H new ATOM 0 HH11 ARG A 20 12.953 0.814 -1.895 1.00 2.52 H new ATOM 0 HH12 ARG A 20 13.342 2.350 -2.676 1.00 2.52 H new ATOM 0 HH21 ARG A 20 16.142 2.993 -0.634 1.00 3.06 H new ATOM 0 HH22 ARG A 20 15.139 3.578 -1.966 1.00 3.06 H new ATOM 294 N GLU A 21 17.296 -3.485 0.286 1.00 0.82 N ATOM 295 CA GLU A 21 18.683 -3.331 0.713 1.00 0.93 C ATOM 296 C GLU A 21 19.080 -1.863 0.769 1.00 1.16 C ATOM 297 O GLU A 21 19.278 -1.299 1.844 1.00 1.57 O ATOM 298 CB GLU A 21 19.619 -4.090 -0.229 1.00 1.09 C ATOM 299 CG GLU A 21 19.379 -5.591 -0.247 1.00 1.62 C ATOM 300 CD GLU A 21 20.331 -6.322 -1.173 1.00 2.00 C ATOM 301 OE1 GLU A 21 21.452 -6.653 -0.731 1.00 2.21 O ATOM 302 OE2 GLU A 21 19.957 -6.563 -2.341 1.00 2.58 O ATOM 0 H GLU A 21 17.117 -3.199 -0.677 1.00 0.82 H new ATOM 0 HA GLU A 21 18.772 -3.749 1.716 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.499 -3.699 -1.239 1.00 1.09 H new ATOM 0 HB3 GLU A 21 20.651 -3.899 0.066 1.00 1.09 H new ATOM 0 HG2 GLU A 21 19.487 -5.985 0.764 1.00 1.62 H new ATOM 0 HG3 GLU A 21 18.353 -5.788 -0.558 1.00 1.62 H new ATOM 309 N LYS A 22 19.195 -1.254 -0.401 1.00 1.11 N ATOM 310 CA LYS A 22 19.573 0.152 -0.502 1.00 1.40 C ATOM 311 C LYS A 22 18.704 0.879 -1.524 1.00 1.31 C ATOM 312 O LYS A 22 17.705 0.337 -1.995 1.00 1.38 O ATOM 313 CB LYS A 22 21.049 0.279 -0.886 1.00 1.65 C ATOM 314 CG LYS A 22 21.999 -0.355 0.119 1.00 2.00 C ATOM 315 CD LYS A 22 21.941 0.347 1.468 1.00 2.54 C ATOM 316 CE LYS A 22 22.854 -0.321 2.483 1.00 3.05 C ATOM 317 NZ LYS A 22 22.809 0.361 3.807 1.00 3.72 N ATOM 0 H LYS A 22 19.032 -1.711 -1.298 1.00 1.11 H new ATOM 0 HA LYS A 22 19.417 0.614 0.473 1.00 1.40 H new ATOM 0 HB2 LYS A 22 21.203 -0.184 -1.861 1.00 1.65 H new ATOM 0 HB3 LYS A 22 21.298 1.335 -0.992 1.00 1.65 H new ATOM 0 HG2 LYS A 22 21.746 -1.408 0.245 1.00 2.00 H new ATOM 0 HG3 LYS A 22 23.017 -0.316 -0.268 1.00 2.00 H new ATOM 0 HD2 LYS A 22 22.230 1.391 1.349 1.00 2.54 H new ATOM 0 HD3 LYS A 22 20.916 0.340 1.839 1.00 2.54 H new ATOM 0 HE2 LYS A 22 22.562 -1.364 2.602 1.00 3.05 H new ATOM 0 HE3 LYS A 22 23.877 -0.318 2.108 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 23.445 -0.126 4.470 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 23.112 1.350 3.699 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 21.838 0.336 4.178 1.00 3.72 H new ATOM 331 N ASP A 23 19.087 2.108 -1.856 1.00 1.46 N ATOM 332 CA ASP A 23 18.342 2.904 -2.826 1.00 1.51 C ATOM 333 C ASP A 23 18.198 2.155 -4.148 1.00 1.31 C ATOM 334 O ASP A 23 17.241 2.369 -4.894 1.00 1.58 O ATOM 335 CB ASP A 23 19.036 4.247 -3.057 1.00 1.91 C ATOM 336 CG ASP A 23 18.281 5.130 -4.032 1.00 2.29 C ATOM 337 OD1 ASP A 23 17.365 5.855 -3.590 1.00 2.87 O ATOM 338 OD2 ASP A 23 18.607 5.097 -5.237 1.00 2.58 O ATOM 0 H ASP A 23 19.907 2.574 -1.469 1.00 1.46 H new ATOM 0 HA ASP A 23 17.346 3.085 -2.422 1.00 1.51 H new ATOM 0 HB2 ASP A 23 19.139 4.768 -2.105 1.00 1.91 H new ATOM 0 HB3 ASP A 23 20.043 4.072 -3.435 1.00 1.91 H new ATOM 343 N THR A 24 19.151 1.272 -4.428 1.00 1.02 N ATOM 344 CA THR A 24 19.139 0.488 -5.648 1.00 0.98 C ATOM 345 C THR A 24 17.970 -0.492 -5.649 1.00 1.01 C ATOM 346 O THR A 24 17.356 -0.742 -6.688 1.00 1.16 O ATOM 347 CB THR A 24 20.462 -0.284 -5.809 1.00 1.17 C ATOM 348 OG1 THR A 24 21.514 0.616 -6.173 1.00 1.38 O ATOM 349 CG2 THR A 24 20.333 -1.374 -6.856 1.00 1.19 C ATOM 0 H THR A 24 19.946 1.084 -3.817 1.00 1.02 H new ATOM 0 HA THR A 24 19.024 1.175 -6.486 1.00 0.98 H new ATOM 0 HB THR A 24 20.700 -0.752 -4.854 1.00 1.17 H new ATOM 0 HG1 THR A 24 22.352 0.117 -6.272 1.00 1.38 H new ATOM 0 HG21 THR A 24 21.281 -1.903 -6.949 1.00 1.19 H new ATOM 0 HG22 THR A 24 19.554 -2.075 -6.557 1.00 1.19 H new ATOM 0 HG23 THR A 24 20.071 -0.928 -7.815 1.00 1.19 H new ATOM 357 N SER A 25 17.668 -1.044 -4.478 1.00 1.05 N ATOM 358 CA SER A 25 16.572 -1.995 -4.338 1.00 1.35 C ATOM 359 C SER A 25 15.235 -1.271 -4.211 1.00 1.17 C ATOM 360 O SER A 25 14.545 -1.395 -3.198 1.00 1.39 O ATOM 361 CB SER A 25 16.803 -2.893 -3.121 1.00 1.79 C ATOM 362 OG SER A 25 18.017 -3.614 -3.240 1.00 2.45 O ATOM 0 H SER A 25 18.168 -0.848 -3.611 1.00 1.05 H new ATOM 0 HA SER A 25 16.542 -2.614 -5.235 1.00 1.35 H new ATOM 0 HB2 SER A 25 16.825 -2.285 -2.216 1.00 1.79 H new ATOM 0 HB3 SER A 25 15.972 -3.590 -3.017 1.00 1.79 H new ATOM 0 HG SER A 25 17.997 -4.390 -2.642 1.00 2.45 H new ATOM 368 N SER A 26 14.878 -0.515 -5.244 1.00 0.84 N ATOM 369 CA SER A 26 13.622 0.226 -5.252 1.00 0.72 C ATOM 370 C SER A 26 12.437 -0.714 -5.067 1.00 0.58 C ATOM 371 O SER A 26 12.396 -1.800 -5.646 1.00 0.69 O ATOM 372 CB SER A 26 13.474 1.001 -6.562 1.00 0.81 C ATOM 373 OG SER A 26 14.537 1.921 -6.735 1.00 1.40 O ATOM 0 H SER A 26 15.441 -0.399 -6.087 1.00 0.84 H new ATOM 0 HA SER A 26 13.637 0.931 -4.420 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.453 0.304 -7.400 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.523 1.534 -6.567 1.00 0.81 H new ATOM 0 HG SER A 26 14.419 2.402 -7.581 1.00 1.40 H new ATOM 379 N LEU A 27 11.475 -0.287 -4.256 1.00 0.42 N ATOM 380 CA LEU A 27 10.289 -1.090 -3.990 1.00 0.32 C ATOM 381 C LEU A 27 9.299 -0.986 -5.144 1.00 0.29 C ATOM 382 O LEU A 27 8.614 -1.952 -5.475 1.00 0.41 O ATOM 383 CB LEU A 27 9.628 -0.645 -2.682 1.00 0.35 C ATOM 384 CG LEU A 27 10.537 -0.686 -1.451 1.00 0.38 C ATOM 385 CD1 LEU A 27 9.813 -0.127 -0.236 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.007 -2.108 -1.181 1.00 0.43 C ATOM 0 H LEU A 27 11.494 0.611 -3.772 1.00 0.42 H new ATOM 0 HA LEU A 27 10.595 -2.132 -3.892 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.257 0.372 -2.808 1.00 0.35 H new ATOM 0 HB3 LEU A 27 8.761 -1.279 -2.496 1.00 0.35 H new ATOM 0 HG LEU A 27 11.411 -0.066 -1.649 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.474 -0.164 0.630 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.524 0.906 -0.428 1.00 0.45 H new ATOM 0 HD13 LEU A 27 8.922 -0.722 -0.038 1.00 0.45 H new ATOM 0 HD21 LEU A 27 11.652 -2.117 -0.302 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.143 -2.749 -1.004 1.00 0.43 H new ATOM 0 HD23 LEU A 27 11.563 -2.477 -2.043 1.00 0.43 H new ATOM 398 N GLY A 28 9.228 0.195 -5.752 1.00 0.29 N ATOM 399 CA GLY A 28 8.331 0.400 -6.874 1.00 0.31 C ATOM 400 C GLY A 28 6.984 0.961 -6.467 1.00 0.29 C ATOM 401 O GLY A 28 6.166 1.303 -7.321 1.00 0.52 O ATOM 0 H GLY A 28 9.776 1.013 -5.487 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.800 1.079 -7.586 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.181 -0.549 -7.389 1.00 0.31 H new ATOM 405 N ILE A 29 6.749 1.058 -5.163 1.00 0.35 N ATOM 406 CA ILE A 29 5.487 1.580 -4.654 1.00 0.32 C ATOM 407 C ILE A 29 5.252 3.013 -5.127 1.00 0.30 C ATOM 408 O ILE A 29 5.921 3.942 -4.676 1.00 0.35 O ATOM 409 CB ILE A 29 5.445 1.546 -3.114 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.663 0.115 -2.612 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.121 2.099 -2.604 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.783 0.011 -1.107 1.00 0.84 C ATOM 0 H ILE A 29 7.415 0.783 -4.441 1.00 0.35 H new ATOM 0 HA ILE A 29 4.699 0.937 -5.046 1.00 0.32 H new ATOM 0 HB ILE A 29 6.247 2.175 -2.728 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.833 -0.508 -2.946 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.567 -0.287 -3.069 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.109 2.067 -1.515 1.00 0.36 H new ATOM 0 HG22 ILE A 29 4.004 3.130 -2.938 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.301 1.496 -2.994 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.936 -1.031 -0.825 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.630 0.607 -0.768 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.869 0.382 -0.643 1.00 0.84 H new ATOM 424 N SER A 30 4.297 3.182 -6.039 1.00 0.27 N ATOM 425 CA SER A 30 3.972 4.503 -6.567 1.00 0.29 C ATOM 426 C SER A 30 2.581 4.936 -6.115 1.00 0.28 C ATOM 427 O SER A 30 1.575 4.545 -6.709 1.00 0.35 O ATOM 428 CB SER A 30 4.052 4.504 -8.095 1.00 0.33 C ATOM 429 OG SER A 30 3.773 5.791 -8.618 1.00 0.95 O ATOM 0 H SER A 30 3.737 2.423 -6.426 1.00 0.27 H new ATOM 0 HA SER A 30 4.701 5.213 -6.177 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.046 4.187 -8.411 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.343 3.782 -8.500 1.00 0.33 H new ATOM 0 HG SER A 30 3.832 5.766 -9.596 1.00 0.95 H new ATOM 435 N ILE A 31 2.535 5.744 -5.060 1.00 0.25 N ATOM 436 CA ILE A 31 1.270 6.231 -4.521 1.00 0.27 C ATOM 437 C ILE A 31 0.854 7.541 -5.183 1.00 0.31 C ATOM 438 O ILE A 31 1.652 8.182 -5.868 1.00 0.41 O ATOM 439 CB ILE A 31 1.357 6.445 -2.998 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.486 7.425 -2.662 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.566 5.116 -2.289 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.571 7.779 -1.192 1.00 0.39 C ATOM 0 H ILE A 31 3.360 6.076 -4.561 1.00 0.25 H new ATOM 0 HA ILE A 31 0.521 5.468 -4.734 1.00 0.27 H new ATOM 0 HB ILE A 31 0.417 6.874 -2.650 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.436 6.993 -2.977 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.345 8.339 -3.239 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.626 5.283 -1.213 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.730 4.452 -2.507 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.493 4.660 -2.637 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.393 8.476 -1.033 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.636 8.241 -0.875 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.744 6.874 -0.609 1.00 0.39 H new ATOM 454 N SER A 32 -0.400 7.930 -4.973 1.00 0.37 N ATOM 455 CA SER A 32 -0.925 9.163 -5.549 1.00 0.44 C ATOM 456 C SER A 32 -1.892 9.846 -4.587 1.00 0.55 C ATOM 457 O SER A 32 -2.706 9.186 -3.939 1.00 0.59 O ATOM 458 CB SER A 32 -1.629 8.871 -6.874 1.00 0.48 C ATOM 459 OG SER A 32 -0.736 8.295 -7.811 1.00 1.32 O ATOM 0 H SER A 32 -1.071 7.409 -4.408 1.00 0.37 H new ATOM 0 HA SER A 32 -0.086 9.835 -5.730 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.467 8.195 -6.703 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.042 9.794 -7.281 1.00 0.48 H new ATOM 0 HG SER A 32 -1.009 8.544 -8.719 1.00 1.32 H new ATOM 465 N GLY A 33 -1.798 11.169 -4.499 1.00 0.70 N ATOM 466 CA GLY A 33 -2.670 11.919 -3.615 1.00 0.87 C ATOM 467 C GLY A 33 -3.969 12.321 -4.286 1.00 0.88 C ATOM 468 O GLY A 33 -3.961 13.004 -5.310 1.00 0.95 O ATOM 0 H GLY A 33 -1.132 11.735 -5.025 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -2.891 11.319 -2.733 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.151 12.813 -3.270 1.00 0.87 H new ATOM 634 N ILE A 46 -3.792 7.454 1.171 1.00 0.46 N ATOM 635 CA ILE A 46 -2.578 6.978 0.518 1.00 0.39 C ATOM 636 C ILE A 46 -2.825 5.644 -0.180 1.00 0.39 C ATOM 637 O ILE A 46 -2.947 4.606 0.472 1.00 0.57 O ATOM 638 CB ILE A 46 -1.425 6.815 1.529 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.251 8.095 2.355 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.132 6.457 0.811 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.946 9.326 1.526 1.00 0.55 C ATOM 0 HA ILE A 46 -2.295 7.727 -0.222 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.674 6.000 2.209 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.161 8.272 2.928 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.446 7.945 3.074 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.670 6.346 1.540 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.263 5.520 0.271 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.124 7.249 0.107 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.837 10.189 2.183 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.020 9.172 0.973 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.762 9.504 0.825 1.00 0.55 H new ATOM 653 N TYR A 47 -2.895 5.678 -1.507 1.00 0.30 N ATOM 654 CA TYR A 47 -3.133 4.473 -2.294 1.00 0.30 C ATOM 655 C TYR A 47 -2.140 4.362 -3.446 1.00 0.26 C ATOM 656 O TYR A 47 -1.769 5.364 -4.058 1.00 0.29 O ATOM 657 CB TYR A 47 -4.565 4.472 -2.836 1.00 0.36 C ATOM 658 CG TYR A 47 -4.909 5.702 -3.647 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.391 6.850 -3.032 1.00 0.43 C ATOM 660 CD2 TYR A 47 -4.752 5.714 -5.028 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.707 7.975 -3.769 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.065 6.836 -5.771 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.541 7.963 -5.137 1.00 0.58 C ATOM 664 OH TYR A 47 -5.855 9.082 -5.873 1.00 0.70 O ATOM 0 H TYR A 47 -2.790 6.528 -2.061 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.995 3.611 -1.641 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.709 3.587 -3.456 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.260 4.392 -2.000 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.521 6.864 -1.960 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.379 4.832 -5.528 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.082 8.859 -3.276 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -4.937 6.830 -6.843 1.00 0.57 H new ATOM 0 HH TYR A 47 -5.680 8.909 -6.822 1.00 0.70 H new ATOM 674 N VAL A 48 -1.712 3.136 -3.734 1.00 0.26 N ATOM 675 CA VAL A 48 -0.764 2.889 -4.814 1.00 0.25 C ATOM 676 C VAL A 48 -1.473 2.840 -6.163 1.00 0.28 C ATOM 677 O VAL A 48 -2.309 1.968 -6.405 1.00 0.39 O ATOM 678 CB VAL A 48 0.000 1.568 -4.599 1.00 0.27 C ATOM 679 CG1 VAL A 48 1.040 1.365 -5.690 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.651 1.546 -3.225 1.00 0.29 C ATOM 0 H VAL A 48 -2.008 2.298 -3.233 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.053 3.715 -4.809 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.714 0.746 -4.653 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.568 0.427 -5.519 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.547 1.332 -6.661 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.752 2.190 -5.672 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.186 0.606 -3.091 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.351 2.377 -3.141 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.117 1.639 -2.457 1.00 0.29 H new ATOM 690 N LYS A 49 -1.134 3.781 -7.039 1.00 0.31 N ATOM 691 CA LYS A 49 -1.742 3.850 -8.362 1.00 0.38 C ATOM 692 C LYS A 49 -1.027 2.930 -9.347 1.00 0.32 C ATOM 693 O LYS A 49 -1.658 2.337 -10.223 1.00 0.37 O ATOM 694 CB LYS A 49 -1.715 5.287 -8.885 1.00 0.49 C ATOM 695 CG LYS A 49 -2.368 5.451 -10.250 1.00 0.61 C ATOM 696 CD LYS A 49 -2.248 6.878 -10.763 1.00 0.84 C ATOM 697 CE LYS A 49 -0.813 7.224 -11.125 1.00 1.65 C ATOM 698 NZ LYS A 49 -0.281 6.338 -12.198 1.00 2.40 N ATOM 0 H LYS A 49 -0.441 4.506 -6.856 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.776 3.519 -8.270 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.221 5.935 -8.169 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -0.680 5.624 -8.944 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -1.902 4.768 -10.961 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -3.420 5.175 -10.186 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.885 7.005 -11.638 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -2.609 7.570 -10.002 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -0.762 8.262 -11.453 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -0.184 7.138 -10.239 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 0.578 6.762 -12.604 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -0.051 5.406 -11.797 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -0.998 6.227 -12.943 1.00 2.40 H new ATOM 712 N SER A 50 0.290 2.814 -9.203 1.00 0.28 N ATOM 713 CA SER A 50 1.076 1.969 -10.096 1.00 0.35 C ATOM 714 C SER A 50 2.300 1.391 -9.391 1.00 0.28 C ATOM 715 O SER A 50 2.610 1.752 -8.254 1.00 0.25 O ATOM 716 CB SER A 50 1.516 2.769 -11.322 1.00 0.49 C ATOM 717 OG SER A 50 0.396 3.254 -12.044 1.00 1.28 O ATOM 0 H SER A 50 0.832 3.291 -8.482 1.00 0.28 H new ATOM 0 HA SER A 50 0.443 1.138 -10.408 1.00 0.35 H new ATOM 0 HB2 SER A 50 2.141 3.606 -11.009 1.00 0.49 H new ATOM 0 HB3 SER A 50 2.126 2.140 -11.971 1.00 0.49 H new ATOM 0 HG SER A 50 0.704 3.764 -12.822 1.00 1.28 H new ATOM 723 N LEU A 51 2.991 0.490 -10.081 1.00 0.32 N ATOM 724 CA LEU A 51 4.187 -0.148 -9.540 1.00 0.27 C ATOM 725 C LEU A 51 5.323 -0.105 -10.557 1.00 0.27 C ATOM 726 O LEU A 51 5.100 -0.273 -11.757 1.00 0.42 O ATOM 727 CB LEU A 51 3.888 -1.600 -9.159 1.00 0.30 C ATOM 728 CG LEU A 51 2.811 -1.785 -8.088 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.391 -3.245 -8.005 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.313 -1.302 -6.736 1.00 0.32 C ATOM 0 H LEU A 51 2.742 0.183 -11.021 1.00 0.32 H new ATOM 0 HA LEU A 51 4.493 0.399 -8.648 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.582 -2.138 -10.056 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.810 -2.064 -8.808 1.00 0.30 H new ATOM 0 HG LEU A 51 1.943 -1.188 -8.367 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.624 -3.360 -7.239 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.992 -3.564 -8.968 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.255 -3.858 -7.749 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.533 -1.442 -5.987 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.196 -1.873 -6.451 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.570 -0.245 -6.800 1.00 0.32 H new ATOM 742 N ILE A 52 6.541 0.119 -10.072 1.00 0.24 N ATOM 743 CA ILE A 52 7.708 0.185 -10.945 1.00 0.24 C ATOM 744 C ILE A 52 8.128 -1.212 -11.409 1.00 0.23 C ATOM 745 O ILE A 52 8.527 -2.042 -10.596 1.00 0.28 O ATOM 746 CB ILE A 52 8.901 0.863 -10.239 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.567 2.322 -9.903 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.153 0.783 -11.104 1.00 0.31 C ATOM 749 CD1 ILE A 52 8.270 3.179 -11.117 1.00 1.26 C ATOM 0 H ILE A 52 6.745 0.257 -9.082 1.00 0.24 H new ATOM 0 HA ILE A 52 7.423 0.782 -11.811 1.00 0.24 H new ATOM 0 HB ILE A 52 9.097 0.332 -9.307 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.705 2.343 -9.236 1.00 0.36 H new ATOM 0 HG13 ILE A 52 9.403 2.759 -9.357 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.983 1.267 -10.589 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.401 -0.262 -11.290 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.972 1.287 -12.053 1.00 0.31 H new ATOM 0 HD11 ILE A 52 8.043 4.196 -10.798 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.139 3.191 -11.776 1.00 1.26 H new ATOM 0 HD13 ILE A 52 7.414 2.768 -11.652 1.00 1.26 H new ATOM 761 N PRO A 53 8.043 -1.493 -12.725 1.00 0.31 N ATOM 762 CA PRO A 53 8.420 -2.801 -13.276 1.00 0.35 C ATOM 763 C PRO A 53 9.867 -3.167 -12.965 1.00 0.34 C ATOM 764 O PRO A 53 10.786 -2.400 -13.251 1.00 0.46 O ATOM 765 CB PRO A 53 8.230 -2.630 -14.786 1.00 0.43 C ATOM 766 CG PRO A 53 7.284 -1.490 -14.929 1.00 0.82 C ATOM 767 CD PRO A 53 7.572 -0.571 -13.776 1.00 0.47 C ATOM 0 HA PRO A 53 7.821 -3.604 -12.847 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.178 -2.421 -15.282 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.827 -3.536 -15.238 1.00 0.43 H new ATOM 0 HG2 PRO A 53 7.428 -0.979 -15.881 1.00 0.82 H new ATOM 0 HG3 PRO A 53 6.250 -1.835 -14.905 1.00 0.82 H new ATOM 0 HD2 PRO A 53 8.329 0.171 -14.031 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.682 -0.024 -13.464 1.00 0.47 H new ATOM 775 N GLY A 54 10.062 -4.344 -12.375 1.00 0.39 N ATOM 776 CA GLY A 54 11.400 -4.795 -12.041 1.00 0.41 C ATOM 777 C GLY A 54 11.757 -4.549 -10.588 1.00 0.39 C ATOM 778 O GLY A 54 12.743 -5.090 -10.086 1.00 0.49 O ATOM 0 H GLY A 54 9.316 -4.993 -12.123 1.00 0.39 H new ATOM 0 HA2 GLY A 54 11.484 -5.860 -12.256 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.121 -4.284 -12.679 1.00 0.41 H new ATOM 782 N SER A 55 10.958 -3.732 -9.910 1.00 0.35 N ATOM 783 CA SER A 55 11.202 -3.417 -8.506 1.00 0.35 C ATOM 784 C SER A 55 10.883 -4.614 -7.616 1.00 0.32 C ATOM 785 O SER A 55 10.524 -5.684 -8.105 1.00 0.36 O ATOM 786 CB SER A 55 10.364 -2.214 -8.075 1.00 0.37 C ATOM 787 OG SER A 55 8.981 -2.519 -8.104 1.00 1.23 O ATOM 0 H SER A 55 10.137 -3.276 -10.309 1.00 0.35 H new ATOM 0 HA SER A 55 12.259 -3.173 -8.396 1.00 0.35 H new ATOM 0 HB2 SER A 55 10.651 -1.909 -7.069 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.567 -1.370 -8.734 1.00 0.37 H new ATOM 0 HG SER A 55 8.691 -2.635 -9.033 1.00 1.23 H new ATOM 793 N ALA A 56 11.016 -4.425 -6.307 1.00 0.35 N ATOM 794 CA ALA A 56 10.741 -5.490 -5.351 1.00 0.36 C ATOM 795 C ALA A 56 9.253 -5.825 -5.312 1.00 0.32 C ATOM 796 O ALA A 56 8.861 -6.976 -5.506 1.00 0.34 O ATOM 797 CB ALA A 56 11.228 -5.091 -3.966 1.00 0.42 C ATOM 0 H ALA A 56 11.312 -3.545 -5.885 1.00 0.35 H new ATOM 0 HA ALA A 56 11.279 -6.382 -5.674 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.017 -5.895 -3.261 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.302 -4.908 -3.997 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.714 -4.184 -3.647 1.00 0.42 H new ATOM 803 N ALA A 57 8.431 -4.810 -5.062 1.00 0.30 N ATOM 804 CA ALA A 57 6.984 -4.990 -4.992 1.00 0.30 C ATOM 805 C ALA A 57 6.436 -5.597 -6.279 1.00 0.30 C ATOM 806 O ALA A 57 5.475 -6.367 -6.253 1.00 0.35 O ATOM 807 CB ALA A 57 6.301 -3.661 -4.708 1.00 0.32 C ATOM 0 H ALA A 57 8.743 -3.852 -4.904 1.00 0.30 H new ATOM 0 HA ALA A 57 6.773 -5.682 -4.177 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.222 -3.810 -4.658 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.657 -3.265 -3.757 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.534 -2.955 -5.505 1.00 0.32 H new ATOM 813 N ALA A 58 7.051 -5.245 -7.403 1.00 0.31 N ATOM 814 CA ALA A 58 6.622 -5.748 -8.704 1.00 0.33 C ATOM 815 C ALA A 58 6.950 -7.228 -8.867 1.00 0.34 C ATOM 816 O ALA A 58 6.068 -8.041 -9.146 1.00 0.44 O ATOM 817 CB ALA A 58 7.266 -4.938 -9.818 1.00 0.37 C ATOM 0 H ALA A 58 7.850 -4.612 -7.440 1.00 0.31 H new ATOM 0 HA ALA A 58 5.539 -5.640 -8.764 1.00 0.33 H new ATOM 0 HB1 ALA A 58 6.938 -5.323 -10.784 1.00 0.37 H new ATOM 0 HB2 ALA A 58 6.971 -3.893 -9.725 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.351 -5.017 -9.745 1.00 0.37 H new ATOM 823 N LEU A 59 8.222 -7.571 -8.692 1.00 0.35 N ATOM 824 CA LEU A 59 8.669 -8.954 -8.823 1.00 0.39 C ATOM 825 C LEU A 59 7.942 -9.864 -7.838 1.00 0.42 C ATOM 826 O LEU A 59 7.890 -11.079 -8.026 1.00 0.57 O ATOM 827 CB LEU A 59 10.180 -9.052 -8.600 1.00 0.47 C ATOM 828 CG LEU A 59 11.042 -8.325 -9.636 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.510 -8.383 -9.243 1.00 0.66 C ATOM 830 CD2 LEU A 59 10.836 -8.923 -11.020 1.00 0.61 C ATOM 0 H LEU A 59 8.963 -6.910 -8.459 1.00 0.35 H new ATOM 0 HA LEU A 59 8.434 -9.284 -9.835 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.412 -8.652 -7.613 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.462 -10.105 -8.591 1.00 0.47 H new ATOM 0 HG LEU A 59 10.734 -7.280 -9.665 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.108 -7.861 -9.991 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.646 -7.906 -8.272 1.00 0.66 H new ATOM 0 HD13 LEU A 59 12.830 -9.423 -9.184 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.457 -8.393 -11.742 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.115 -9.977 -11.006 1.00 0.61 H new ATOM 0 HD23 LEU A 59 9.788 -8.829 -11.305 1.00 0.61 H new ATOM 842 N ASP A 60 7.381 -9.270 -6.789 1.00 0.44 N ATOM 843 CA ASP A 60 6.660 -10.032 -5.777 1.00 0.52 C ATOM 844 C ASP A 60 5.496 -10.794 -6.405 1.00 0.61 C ATOM 845 O ASP A 60 5.364 -12.004 -6.223 1.00 0.79 O ATOM 846 CB ASP A 60 6.148 -9.106 -4.673 1.00 0.74 C ATOM 847 CG ASP A 60 5.558 -9.873 -3.506 1.00 1.08 C ATOM 848 OD1 ASP A 60 4.345 -10.166 -3.539 1.00 1.86 O ATOM 849 OD2 ASP A 60 6.310 -10.178 -2.558 1.00 1.32 O ATOM 0 H ASP A 60 7.412 -8.265 -6.618 1.00 0.44 H new ATOM 0 HA ASP A 60 7.350 -10.752 -5.338 1.00 0.52 H new ATOM 0 HB2 ASP A 60 6.967 -8.481 -4.317 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.392 -8.437 -5.084 1.00 0.74 H new ATOM 854 N GLY A 61 4.655 -10.076 -7.144 1.00 0.72 N ATOM 855 CA GLY A 61 3.521 -10.704 -7.798 1.00 1.06 C ATOM 856 C GLY A 61 2.231 -10.573 -7.010 1.00 0.83 C ATOM 857 O GLY A 61 1.150 -10.500 -7.593 1.00 0.94 O ATOM 0 H GLY A 61 4.739 -9.072 -7.301 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.385 -10.258 -8.783 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.739 -11.761 -7.954 1.00 1.06 H new ATOM 861 N ARG A 62 2.341 -10.544 -5.685 1.00 0.63 N ATOM 862 CA ARG A 62 1.166 -10.430 -4.827 1.00 0.59 C ATOM 863 C ARG A 62 0.739 -8.974 -4.665 1.00 0.52 C ATOM 864 O ARG A 62 -0.226 -8.677 -3.961 1.00 0.69 O ATOM 865 CB ARG A 62 1.439 -11.055 -3.457 1.00 0.67 C ATOM 866 CG ARG A 62 1.788 -12.533 -3.527 1.00 0.81 C ATOM 867 CD ARG A 62 1.937 -13.142 -2.140 1.00 1.05 C ATOM 868 NE ARG A 62 3.011 -12.514 -1.376 1.00 1.31 N ATOM 869 CZ ARG A 62 3.355 -12.887 -0.147 1.00 1.93 C ATOM 870 NH1 ARG A 62 2.716 -13.885 0.450 1.00 2.26 N ATOM 871 NH2 ARG A 62 4.342 -12.267 0.485 1.00 2.59 N ATOM 0 H ARG A 62 3.228 -10.598 -5.184 1.00 0.63 H new ATOM 0 HA ARG A 62 0.351 -10.972 -5.306 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.258 -10.518 -2.978 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.560 -10.926 -2.825 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.011 -13.065 -4.077 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.717 -12.662 -4.083 1.00 0.81 H new ATOM 0 HD2 ARG A 62 0.998 -13.038 -1.596 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.135 -14.210 -2.233 1.00 1.05 H new ATOM 0 HE ARG A 62 3.526 -11.747 -1.809 1.00 1.31 H new ATOM 0 HH11 ARG A 62 1.959 -14.368 -0.034 1.00 2.26 H new ATOM 0 HH12 ARG A 62 2.982 -14.169 1.393 1.00 2.26 H new ATOM 0 HH21 ARG A 62 4.839 -11.502 0.028 1.00 2.59 H new ATOM 0 HH22 ARG A 62 4.604 -12.555 1.428 1.00 2.59 H new ATOM 885 N ILE A 63 1.462 -8.069 -5.318 1.00 0.48 N ATOM 886 CA ILE A 63 1.146 -6.647 -5.248 1.00 0.48 C ATOM 887 C ILE A 63 0.752 -6.107 -6.619 1.00 0.49 C ATOM 888 O ILE A 63 1.514 -6.211 -7.582 1.00 0.59 O ATOM 889 CB ILE A 63 2.334 -5.826 -4.706 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.822 -6.414 -3.378 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.934 -4.367 -4.534 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.070 -5.749 -2.837 1.00 0.92 C ATOM 0 H ILE A 63 2.269 -8.295 -5.900 1.00 0.48 H new ATOM 0 HA ILE A 63 0.306 -6.545 -4.561 1.00 0.48 H new ATOM 0 HB ILE A 63 3.152 -5.874 -5.425 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.026 -6.327 -2.639 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.018 -7.478 -3.512 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.782 -3.800 -4.151 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.629 -3.957 -5.497 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.104 -4.298 -3.831 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.354 -6.219 -1.896 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.882 -5.858 -3.556 1.00 0.92 H new ATOM 0 HD13 ILE A 63 3.874 -4.690 -2.669 1.00 0.92 H new ATOM 904 N GLU A 64 -0.446 -5.535 -6.701 1.00 0.51 N ATOM 905 CA GLU A 64 -0.946 -4.977 -7.952 1.00 0.58 C ATOM 906 C GLU A 64 -1.452 -3.550 -7.746 1.00 0.56 C ATOM 907 O GLU A 64 -1.778 -3.160 -6.623 1.00 0.66 O ATOM 908 CB GLU A 64 -2.067 -5.854 -8.516 1.00 0.79 C ATOM 909 CG GLU A 64 -1.567 -6.994 -9.388 1.00 1.09 C ATOM 910 CD GLU A 64 -2.686 -7.903 -9.857 1.00 1.39 C ATOM 911 OE1 GLU A 64 -3.286 -7.612 -10.913 1.00 1.98 O ATOM 912 OE2 GLU A 64 -2.964 -8.906 -9.167 1.00 1.67 O ATOM 0 H GLU A 64 -1.089 -5.446 -5.914 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.122 -4.952 -8.666 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.645 -6.267 -7.689 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -2.745 -5.232 -9.100 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -1.050 -6.583 -10.255 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -0.837 -7.580 -8.830 1.00 1.09 H new ATOM 919 N PRO A 65 -1.520 -2.748 -8.827 1.00 0.56 N ATOM 920 CA PRO A 65 -1.996 -1.362 -8.754 1.00 0.64 C ATOM 921 C PRO A 65 -3.404 -1.263 -8.175 1.00 0.72 C ATOM 922 O PRO A 65 -4.037 -2.276 -7.880 1.00 1.44 O ATOM 923 CB PRO A 65 -1.984 -0.890 -10.215 1.00 0.77 C ATOM 924 CG PRO A 65 -1.910 -2.138 -11.030 1.00 0.83 C ATOM 925 CD PRO A 65 -1.142 -3.121 -10.199 1.00 0.62 C ATOM 0 HA PRO A 65 -1.372 -0.757 -8.097 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.881 -0.318 -10.451 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.131 -0.240 -10.412 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -2.907 -2.515 -11.260 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.410 -1.955 -11.981 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.418 -4.150 -10.430 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.067 -3.036 -10.361 1.00 0.62 H new ATOM 933 N ASN A 66 -3.885 -0.032 -8.017 1.00 0.60 N ATOM 934 CA ASN A 66 -5.216 0.209 -7.470 1.00 0.59 C ATOM 935 C ASN A 66 -5.360 -0.444 -6.097 1.00 0.51 C ATOM 936 O ASN A 66 -6.319 -1.169 -5.834 1.00 0.73 O ATOM 937 CB ASN A 66 -6.290 -0.321 -8.425 1.00 0.66 C ATOM 938 CG ASN A 66 -7.682 0.150 -8.050 1.00 1.34 C ATOM 939 OD1 ASN A 66 -8.404 -0.527 -7.319 1.00 2.15 O ATOM 940 ND2 ASN A 66 -8.063 1.320 -8.548 1.00 2.01 N ATOM 0 H ASN A 66 -3.371 0.815 -8.261 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.350 1.285 -7.356 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.061 0.003 -9.440 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -6.266 -1.411 -8.425 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -8.987 1.691 -8.328 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.431 1.848 -9.150 1.00 2.01 H new ATOM 947 N ASP A 67 -4.390 -0.181 -5.226 1.00 0.36 N ATOM 948 CA ASP A 67 -4.393 -0.736 -3.877 1.00 0.34 C ATOM 949 C ASP A 67 -4.389 0.376 -2.833 1.00 0.30 C ATOM 950 O ASP A 67 -3.888 1.472 -3.085 1.00 0.38 O ATOM 951 CB ASP A 67 -3.176 -1.643 -3.680 1.00 0.41 C ATOM 952 CG ASP A 67 -3.062 -2.162 -2.260 1.00 1.17 C ATOM 953 OD1 ASP A 67 -2.508 -1.438 -1.407 1.00 1.46 O ATOM 954 OD2 ASP A 67 -3.524 -3.293 -2.002 1.00 2.02 O ATOM 0 H ASP A 67 -3.589 0.416 -5.432 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.302 -1.324 -3.750 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.240 -2.486 -4.367 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.271 -1.092 -3.936 1.00 0.41 H new ATOM 959 N LYS A 68 -4.953 0.091 -1.662 1.00 0.27 N ATOM 960 CA LYS A 68 -5.010 1.072 -0.585 1.00 0.28 C ATOM 961 C LYS A 68 -4.076 0.682 0.557 1.00 0.26 C ATOM 962 O LYS A 68 -4.334 -0.277 1.284 1.00 0.38 O ATOM 963 CB LYS A 68 -6.443 1.207 -0.063 1.00 0.37 C ATOM 964 CG LYS A 68 -6.594 2.241 1.040 1.00 0.53 C ATOM 965 CD LYS A 68 -8.019 2.295 1.563 1.00 0.53 C ATOM 966 CE LYS A 68 -8.177 3.369 2.626 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.564 3.421 3.166 1.00 1.02 N ATOM 0 H LYS A 68 -5.376 -0.809 -1.436 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.685 2.032 -0.986 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.099 1.474 -0.892 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.778 0.239 0.310 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.914 2.003 1.858 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.307 3.222 0.662 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.704 2.493 0.738 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.293 1.325 1.979 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.478 3.178 3.440 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.916 4.339 2.203 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.628 4.167 3.888 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -10.229 3.628 2.394 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.805 2.504 3.594 1.00 1.02 H new ATOM 981 N ILE A 69 -2.988 1.433 0.707 1.00 0.24 N ATOM 982 CA ILE A 69 -2.015 1.169 1.761 1.00 0.21 C ATOM 983 C ILE A 69 -2.582 1.527 3.129 1.00 0.21 C ATOM 984 O ILE A 69 -3.304 2.514 3.274 1.00 0.29 O ATOM 985 CB ILE A 69 -0.709 1.958 1.536 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.112 1.631 0.164 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.296 1.656 2.642 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.257 0.173 -0.013 1.00 0.28 C ATOM 0 H ILE A 69 -2.759 2.229 0.112 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.794 0.102 1.727 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.942 3.022 1.564 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.828 1.911 -0.609 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.778 2.242 0.011 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.211 2.222 2.466 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.127 1.940 3.606 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.523 0.590 2.646 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.673 0.021 -1.009 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.997 -0.108 0.736 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.633 -0.445 0.107 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.248 0.719 4.130 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.724 0.949 5.488 1.00 0.21 C ATOM 1002 C LEU A 70 -1.564 1.276 6.426 1.00 0.20 C ATOM 1003 O LEU A 70 -1.402 2.418 6.855 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.479 -0.280 6.000 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.670 -0.717 5.142 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.250 -2.022 5.663 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.737 0.367 5.114 1.00 0.38 C ATOM 0 H LEU A 70 -1.650 -0.100 4.026 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.402 1.802 5.469 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.779 -1.112 6.073 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.835 -0.074 7.009 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.318 -0.878 4.123 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.095 -2.318 5.042 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.486 -2.799 5.630 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.585 -1.886 6.691 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.575 0.037 4.499 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.086 0.561 6.128 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.316 1.281 4.694 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.755 0.267 6.732 1.00 0.20 N ATOM 1020 CA ARG A 71 0.383 0.453 7.625 1.00 0.25 C ATOM 1021 C ARG A 71 1.632 -0.239 7.087 1.00 0.18 C ATOM 1022 O ARG A 71 1.578 -1.380 6.630 1.00 0.26 O ATOM 1023 CB ARG A 71 0.053 -0.089 9.017 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.197 0.520 9.629 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.483 -0.057 11.004 1.00 0.77 C ATOM 1026 NE ARG A 71 -0.437 0.280 11.967 1.00 1.38 N ATOM 1027 CZ ARG A 71 -0.468 -0.078 13.248 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.484 -0.791 13.716 1.00 1.17 N ATOM 1029 NH2 ARG A 71 0.519 0.274 14.060 1.00 2.61 N ATOM 0 H ARG A 71 -0.865 -0.683 6.377 1.00 0.20 H new ATOM 0 HA ARG A 71 0.586 1.522 7.688 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.073 -1.170 8.956 1.00 0.38 H new ATOM 0 HB3 ARG A 71 0.899 0.097 9.679 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.076 1.601 9.705 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -2.049 0.340 8.973 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -2.441 0.319 11.363 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -1.573 -1.141 10.931 1.00 0.77 H new ATOM 0 HE ARG A 71 0.363 0.821 11.638 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -2.244 -1.066 13.093 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.506 -1.064 14.698 1.00 1.17 H new ATOM 0 HH21 ARG A 71 1.303 0.820 13.703 1.00 2.61 H new ATOM 0 HH22 ARG A 71 0.494 -0.001 15.042 1.00 2.61 H new ATOM 1043 N VAL A 72 2.756 0.465 7.145 1.00 0.21 N ATOM 1044 CA VAL A 72 4.026 -0.079 6.683 1.00 0.17 C ATOM 1045 C VAL A 72 4.775 -0.714 7.854 1.00 0.17 C ATOM 1046 O VAL A 72 4.355 -0.580 9.003 1.00 0.20 O ATOM 1047 CB VAL A 72 4.902 1.015 6.032 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.063 0.405 5.260 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.061 1.895 5.120 1.00 0.28 C ATOM 0 H VAL A 72 2.813 1.416 7.509 1.00 0.21 H new ATOM 0 HA VAL A 72 3.815 -0.837 5.929 1.00 0.17 H new ATOM 0 HB VAL A 72 5.317 1.632 6.829 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.661 1.200 4.814 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.685 -0.179 5.939 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.676 -0.243 4.474 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.693 2.660 4.669 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.615 1.284 4.335 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.272 2.372 5.701 1.00 0.28 H new ATOM 1059 N ASP A 73 5.861 -1.420 7.559 1.00 0.18 N ATOM 1060 CA ASP A 73 6.661 -2.073 8.593 1.00 0.21 C ATOM 1061 C ASP A 73 6.945 -1.136 9.770 1.00 0.22 C ATOM 1062 O ASP A 73 7.724 -0.191 9.652 1.00 0.23 O ATOM 1063 CB ASP A 73 7.982 -2.561 8.000 1.00 0.26 C ATOM 1064 CG ASP A 73 8.748 -3.460 8.950 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.525 -4.689 8.916 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.573 -2.936 9.728 1.00 0.56 O ATOM 0 H ASP A 73 6.210 -1.556 6.610 1.00 0.18 H new ATOM 0 HA ASP A 73 6.086 -2.920 8.967 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.783 -3.101 7.074 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.600 -1.701 7.741 1.00 0.26 H new ATOM 1071 N ASP A 74 6.300 -1.415 10.903 1.00 0.25 N ATOM 1072 CA ASP A 74 6.480 -0.627 12.123 1.00 0.29 C ATOM 1073 C ASP A 74 6.251 0.867 11.893 1.00 0.25 C ATOM 1074 O ASP A 74 6.616 1.690 12.734 1.00 0.29 O ATOM 1075 CB ASP A 74 7.884 -0.849 12.691 1.00 0.35 C ATOM 1076 CG ASP A 74 8.129 -2.292 13.084 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.742 -2.676 14.207 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.709 -3.039 12.268 1.00 2.01 O ATOM 0 H ASP A 74 5.642 -2.188 11.001 1.00 0.25 H new ATOM 0 HA ASP A 74 5.730 -0.969 12.836 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.624 -0.547 11.950 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.025 -0.209 13.562 1.00 0.35 H new ATOM 1083 N VAL A 75 5.649 1.219 10.761 1.00 0.27 N ATOM 1084 CA VAL A 75 5.385 2.620 10.443 1.00 0.27 C ATOM 1085 C VAL A 75 4.068 2.781 9.691 1.00 0.37 C ATOM 1086 O VAL A 75 4.004 2.567 8.481 1.00 0.79 O ATOM 1087 CB VAL A 75 6.519 3.231 9.594 1.00 0.36 C ATOM 1088 CG1 VAL A 75 6.224 4.688 9.268 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.858 3.100 10.305 1.00 0.41 C ATOM 0 H VAL A 75 5.336 0.557 10.051 1.00 0.27 H new ATOM 0 HA VAL A 75 5.325 3.147 11.395 1.00 0.27 H new ATOM 0 HB VAL A 75 6.576 2.677 8.657 1.00 0.36 H new ATOM 0 HG11 VAL A 75 7.037 5.099 8.669 1.00 0.40 H new ATOM 0 HG12 VAL A 75 5.291 4.754 8.708 1.00 0.40 H new ATOM 0 HG13 VAL A 75 6.133 5.257 10.193 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.642 3.538 9.687 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.815 3.622 11.261 1.00 0.41 H new ATOM 0 HG23 VAL A 75 8.077 2.046 10.477 1.00 0.41 H new ATOM 1099 N ASN A 76 3.019 3.166 10.412 1.00 0.30 N ATOM 1100 CA ASN A 76 1.708 3.366 9.805 1.00 0.37 C ATOM 1101 C ASN A 76 1.734 4.571 8.872 1.00 0.42 C ATOM 1102 O ASN A 76 2.564 5.467 9.030 1.00 0.58 O ATOM 1103 CB ASN A 76 0.646 3.564 10.889 1.00 0.46 C ATOM 1104 CG ASN A 76 0.874 4.828 11.696 1.00 1.35 C ATOM 1105 OD1 ASN A 76 0.372 5.897 11.351 1.00 2.24 O ATOM 1106 ND2 ASN A 76 1.635 4.710 12.779 1.00 2.08 N ATOM 0 H ASN A 76 3.052 3.345 11.416 1.00 0.30 H new ATOM 0 HA ASN A 76 1.456 2.479 9.224 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.340 3.605 10.425 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.648 2.703 11.558 1.00 0.46 H new ATOM 0 HD21 ASN A 76 1.823 5.526 13.362 1.00 2.08 H new ATOM 0 HD22 ASN A 76 2.031 3.804 13.028 1.00 2.08 H new ATOM 1113 N VAL A 77 0.828 4.592 7.898 1.00 0.35 N ATOM 1114 CA VAL A 77 0.766 5.697 6.945 1.00 0.43 C ATOM 1115 C VAL A 77 -0.665 6.186 6.753 1.00 0.53 C ATOM 1116 O VAL A 77 -1.078 6.509 5.638 1.00 0.67 O ATOM 1117 CB VAL A 77 1.354 5.297 5.580 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.857 5.091 5.687 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.676 4.044 5.052 1.00 0.53 C ATOM 0 H VAL A 77 0.131 3.862 7.748 1.00 0.35 H new ATOM 0 HA VAL A 77 1.364 6.506 7.364 1.00 0.43 H new ATOM 0 HB VAL A 77 1.169 6.107 4.875 1.00 0.47 H new ATOM 0 HG11 VAL A 77 3.256 4.809 4.713 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.328 6.016 6.018 1.00 0.45 H new ATOM 0 HG13 VAL A 77 3.065 4.300 6.407 1.00 0.45 H new ATOM 0 HG21 VAL A 77 1.105 3.777 4.086 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.827 3.225 5.755 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.392 4.230 4.935 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.418 6.244 7.846 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.803 6.699 7.798 1.00 0.72 C ATOM 1131 C GLN A 78 -2.956 8.061 8.469 1.00 0.61 C ATOM 1132 O GLN A 78 -3.971 8.337 9.112 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.720 5.678 8.474 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.686 4.306 7.823 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.149 4.335 6.379 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.350 4.522 5.462 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -5.448 4.153 6.171 1.00 1.05 N ATOM 0 H GLN A 78 -1.093 5.982 8.776 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.089 6.798 6.751 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.433 5.581 9.521 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.743 6.054 8.457 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.671 3.912 7.867 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.318 3.623 8.390 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.075 4.001 6.961 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -5.819 4.165 5.221 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.945 8.914 8.317 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.999 10.235 8.918 1.00 0.48 C ATOM 1148 C GLY A 79 -0.763 11.067 8.629 1.00 0.41 C ATOM 1149 O GLY A 79 -0.412 11.955 9.406 1.00 0.55 O ATOM 0 H GLY A 79 -1.094 8.715 7.791 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.879 10.761 8.548 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.118 10.133 9.997 1.00 0.48 H new ATOM 1153 N MET A 80 -0.100 10.781 7.511 1.00 0.32 N ATOM 1154 CA MET A 80 1.101 11.520 7.128 1.00 0.33 C ATOM 1155 C MET A 80 1.015 11.985 5.678 1.00 0.30 C ATOM 1156 O MET A 80 0.334 11.370 4.857 1.00 0.34 O ATOM 1157 CB MET A 80 2.347 10.655 7.326 1.00 0.39 C ATOM 1158 CG MET A 80 2.583 10.248 8.771 1.00 0.46 C ATOM 1159 SD MET A 80 4.162 9.408 9.008 1.00 0.52 S ATOM 1160 CE MET A 80 3.984 8.021 7.889 1.00 0.48 C ATOM 0 H MET A 80 -0.372 10.047 6.857 1.00 0.32 H new ATOM 0 HA MET A 80 1.174 12.399 7.769 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.256 9.757 6.715 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.219 11.200 6.964 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.549 11.135 9.404 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.775 9.593 9.096 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.385 7.122 8.357 1.00 0.48 H new ATOM 0 HE2 MET A 80 2.929 7.871 7.660 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.530 8.224 6.968 1.00 0.48 H new ATOM 1170 N ALA A 81 1.712 13.076 5.373 1.00 0.29 N ATOM 1171 CA ALA A 81 1.717 13.632 4.024 1.00 0.31 C ATOM 1172 C ALA A 81 2.303 12.646 3.020 1.00 0.26 C ATOM 1173 O ALA A 81 3.136 11.812 3.373 1.00 0.23 O ATOM 1174 CB ALA A 81 2.492 14.941 3.992 1.00 0.39 C ATOM 0 H ALA A 81 2.281 13.593 6.043 1.00 0.29 H new ATOM 0 HA ALA A 81 0.683 13.827 3.740 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.486 15.343 2.979 1.00 0.39 H new ATOM 0 HB2 ALA A 81 2.025 15.657 4.669 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.521 14.763 4.306 1.00 0.39 H new ATOM 1180 N GLN A 82 1.864 12.750 1.769 1.00 0.33 N ATOM 1181 CA GLN A 82 2.338 11.865 0.708 1.00 0.35 C ATOM 1182 C GLN A 82 3.864 11.807 0.676 1.00 0.31 C ATOM 1183 O GLN A 82 4.457 10.730 0.767 1.00 0.31 O ATOM 1184 CB GLN A 82 1.805 12.337 -0.646 1.00 0.42 C ATOM 1185 CG GLN A 82 2.151 11.409 -1.798 1.00 0.51 C ATOM 1186 CD GLN A 82 1.635 11.917 -3.130 1.00 0.76 C ATOM 1187 OE1 GLN A 82 1.523 13.123 -3.347 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.317 10.996 -4.031 1.00 0.74 N ATOM 0 H GLN A 82 1.178 13.441 1.464 1.00 0.33 H new ATOM 0 HA GLN A 82 1.965 10.862 0.914 1.00 0.35 H new ATOM 0 HB2 GLN A 82 0.721 12.437 -0.585 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.205 13.329 -0.858 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.233 11.291 -1.853 1.00 0.51 H new ATOM 0 HG3 GLN A 82 1.732 10.422 -1.603 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.426 10.006 -3.809 1.00 0.74 H new ATOM 0 HE22 GLN A 82 0.964 11.278 -4.946 1.00 0.74 H new ATOM 1197 N SER A 83 4.491 12.974 0.554 1.00 0.32 N ATOM 1198 CA SER A 83 5.948 13.065 0.506 1.00 0.35 C ATOM 1199 C SER A 83 6.584 12.349 1.693 1.00 0.30 C ATOM 1200 O SER A 83 7.596 11.661 1.545 1.00 0.35 O ATOM 1201 CB SER A 83 6.387 14.530 0.489 1.00 0.44 C ATOM 1202 OG SER A 83 5.857 15.210 -0.637 1.00 1.48 O ATOM 0 H SER A 83 4.012 13.872 0.486 1.00 0.32 H new ATOM 0 HA SER A 83 6.284 12.578 -0.409 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.056 15.022 1.404 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.475 14.586 0.472 1.00 0.44 H new ATOM 0 HG SER A 83 6.151 16.145 -0.623 1.00 1.48 H new ATOM 1208 N ASP A 84 5.985 12.512 2.869 1.00 0.24 N ATOM 1209 CA ASP A 84 6.494 11.881 4.081 1.00 0.24 C ATOM 1210 C ASP A 84 6.533 10.363 3.929 1.00 0.20 C ATOM 1211 O ASP A 84 7.507 9.715 4.316 1.00 0.24 O ATOM 1212 CB ASP A 84 5.627 12.262 5.283 1.00 0.27 C ATOM 1213 CG ASP A 84 6.191 11.742 6.590 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.993 10.544 6.887 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.829 12.531 7.317 1.00 0.97 O ATOM 0 H ASP A 84 5.146 13.076 3.008 1.00 0.24 H new ATOM 0 HA ASP A 84 7.510 12.238 4.247 1.00 0.24 H new ATOM 0 HB2 ASP A 84 5.539 13.347 5.335 1.00 0.27 H new ATOM 0 HB3 ASP A 84 4.621 11.867 5.142 1.00 0.27 H new ATOM 1220 N VAL A 85 5.467 9.803 3.364 1.00 0.19 N ATOM 1221 CA VAL A 85 5.379 8.362 3.158 1.00 0.22 C ATOM 1222 C VAL A 85 6.510 7.873 2.261 1.00 0.21 C ATOM 1223 O VAL A 85 7.044 6.781 2.456 1.00 0.24 O ATOM 1224 CB VAL A 85 4.030 7.965 2.527 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.883 6.452 2.486 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.876 8.599 3.288 1.00 0.30 C ATOM 0 H VAL A 85 4.653 10.326 3.041 1.00 0.19 H new ATOM 0 HA VAL A 85 5.462 7.893 4.138 1.00 0.22 H new ATOM 0 HB VAL A 85 4.007 8.337 1.503 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.924 6.192 2.037 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.690 6.024 1.892 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.929 6.054 3.500 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.932 8.307 2.827 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.894 8.261 4.324 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.973 9.684 3.259 1.00 0.30 H new ATOM 1236 N VAL A 86 6.869 8.691 1.276 1.00 0.22 N ATOM 1237 CA VAL A 86 7.938 8.347 0.346 1.00 0.25 C ATOM 1238 C VAL A 86 9.274 8.228 1.069 1.00 0.24 C ATOM 1239 O VAL A 86 10.066 7.327 0.786 1.00 0.26 O ATOM 1240 CB VAL A 86 8.064 9.394 -0.777 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.105 8.966 -1.800 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.717 9.627 -1.444 1.00 0.34 C ATOM 0 H VAL A 86 6.435 9.597 1.102 1.00 0.22 H new ATOM 0 HA VAL A 86 7.679 7.384 -0.095 1.00 0.25 H new ATOM 0 HB VAL A 86 8.393 10.333 -0.333 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.177 9.720 -2.583 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.073 8.858 -1.311 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.812 8.013 -2.240 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.826 10.370 -2.234 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.356 8.692 -1.872 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.002 9.987 -0.704 1.00 0.34 H new ATOM 1252 N GLU A 87 9.521 9.142 2.004 1.00 0.25 N ATOM 1253 CA GLU A 87 10.762 9.136 2.771 1.00 0.26 C ATOM 1254 C GLU A 87 10.922 7.823 3.528 1.00 0.24 C ATOM 1255 O GLU A 87 11.970 7.181 3.464 1.00 0.26 O ATOM 1256 CB GLU A 87 10.786 10.308 3.754 1.00 0.32 C ATOM 1257 CG GLU A 87 10.695 11.668 3.082 1.00 0.75 C ATOM 1258 CD GLU A 87 10.795 12.814 4.068 1.00 1.04 C ATOM 1259 OE1 GLU A 87 9.747 13.230 4.605 1.00 1.51 O ATOM 1260 OE2 GLU A 87 11.923 13.297 4.305 1.00 1.19 O ATOM 0 H GLU A 87 8.878 9.895 2.248 1.00 0.25 H new ATOM 0 HA GLU A 87 11.593 9.240 2.073 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.957 10.202 4.454 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.705 10.262 4.339 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.492 11.758 2.344 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.751 11.740 2.542 1.00 0.75 H new ATOM 1267 N VAL A 88 9.870 7.431 4.243 1.00 0.22 N ATOM 1268 CA VAL A 88 9.880 6.193 5.016 1.00 0.22 C ATOM 1269 C VAL A 88 10.301 5.005 4.156 1.00 0.23 C ATOM 1270 O VAL A 88 11.227 4.272 4.504 1.00 0.25 O ATOM 1271 CB VAL A 88 8.491 5.904 5.622 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.444 4.501 6.213 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.142 6.946 6.673 1.00 0.27 C ATOM 0 H VAL A 88 8.997 7.955 4.303 1.00 0.22 H new ATOM 0 HA VAL A 88 10.604 6.328 5.819 1.00 0.22 H new ATOM 0 HB VAL A 88 7.749 5.960 4.826 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.456 4.317 6.635 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.646 3.770 5.431 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.196 4.411 6.997 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.159 6.727 7.090 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.887 6.924 7.468 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.130 7.935 6.215 1.00 0.27 H new ATOM 1283 N LEU A 89 9.613 4.822 3.036 1.00 0.24 N ATOM 1284 CA LEU A 89 9.904 3.720 2.129 1.00 0.28 C ATOM 1285 C LEU A 89 11.361 3.748 1.670 1.00 0.32 C ATOM 1286 O LEU A 89 11.972 2.701 1.454 1.00 0.39 O ATOM 1287 CB LEU A 89 8.975 3.772 0.915 1.00 0.32 C ATOM 1288 CG LEU A 89 7.480 3.743 1.237 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.659 3.960 -0.024 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.100 2.427 1.902 1.00 0.35 C ATOM 0 H LEU A 89 8.848 5.425 2.734 1.00 0.24 H new ATOM 0 HA LEU A 89 9.736 2.790 2.671 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.191 4.679 0.351 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.207 2.929 0.264 1.00 0.32 H new ATOM 0 HG LEU A 89 7.263 4.553 1.933 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.598 3.936 0.224 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.908 4.928 -0.458 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.881 3.172 -0.743 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.033 2.426 2.123 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.332 1.600 1.231 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.663 2.312 2.828 1.00 0.35 H new ATOM 1302 N ARG A 90 11.913 4.949 1.521 1.00 0.31 N ATOM 1303 CA ARG A 90 13.297 5.105 1.083 1.00 0.37 C ATOM 1304 C ARG A 90 14.267 4.942 2.249 1.00 0.37 C ATOM 1305 O ARG A 90 15.469 4.767 2.048 1.00 0.48 O ATOM 1306 CB ARG A 90 13.500 6.472 0.426 1.00 0.41 C ATOM 1307 CG ARG A 90 12.707 6.655 -0.857 1.00 0.49 C ATOM 1308 CD ARG A 90 12.997 8.000 -1.502 1.00 0.72 C ATOM 1309 NE ARG A 90 12.677 9.114 -0.613 1.00 1.00 N ATOM 1310 CZ ARG A 90 13.038 10.373 -0.845 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.729 10.680 -1.935 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.707 11.328 0.014 1.00 2.10 N ATOM 0 H ARG A 90 11.424 5.827 1.697 1.00 0.31 H new ATOM 0 HA ARG A 90 13.503 4.323 0.352 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.216 7.251 1.133 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.560 6.608 0.211 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.952 5.855 -1.555 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.641 6.575 -0.642 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.050 8.049 -1.780 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.420 8.093 -2.422 1.00 0.72 H new ATOM 0 HE ARG A 90 12.146 8.915 0.235 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.985 9.949 -2.599 1.00 1.82 H new ATOM 0 HH12 ARG A 90 14.004 11.647 -2.109 1.00 1.82 H new ATOM 0 HH21 ARG A 90 12.175 11.097 0.853 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.984 12.293 -0.165 1.00 2.10 H new ATOM 1326 N ASN A 91 13.740 5.001 3.468 1.00 0.32 N ATOM 1327 CA ASN A 91 14.562 4.859 4.665 1.00 0.36 C ATOM 1328 C ASN A 91 14.618 3.405 5.123 1.00 0.36 C ATOM 1329 O ASN A 91 15.470 3.033 5.932 1.00 0.42 O ATOM 1330 CB ASN A 91 14.019 5.740 5.791 1.00 0.38 C ATOM 1331 CG ASN A 91 14.095 7.218 5.459 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.974 7.654 4.716 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.172 7.997 6.010 1.00 1.14 N ATOM 0 H ASN A 91 12.747 5.146 3.653 1.00 0.32 H new ATOM 0 HA ASN A 91 15.574 5.180 4.417 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.983 5.469 5.993 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.583 5.546 6.704 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.173 9.000 5.823 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.462 7.593 6.620 1.00 1.14 H new ATOM 1340 N ALA A 92 13.706 2.588 4.603 1.00 0.32 N ATOM 1341 CA ALA A 92 13.651 1.173 4.960 1.00 0.34 C ATOM 1342 C ALA A 92 14.979 0.473 4.676 1.00 0.46 C ATOM 1343 O ALA A 92 15.808 0.315 5.573 1.00 0.55 O ATOM 1344 CB ALA A 92 12.519 0.485 4.211 1.00 0.32 C ATOM 0 H ALA A 92 12.995 2.881 3.933 1.00 0.32 H new ATOM 0 HA ALA A 92 13.462 1.105 6.031 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.489 -0.569 4.486 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.571 0.955 4.472 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.685 0.575 3.138 1.00 0.32 H new ATOM 1350 N GLY A 93 15.177 0.055 3.429 1.00 0.53 N ATOM 1351 CA GLY A 93 16.407 -0.627 3.063 1.00 0.68 C ATOM 1352 C GLY A 93 16.588 -1.935 3.810 1.00 0.66 C ATOM 1353 O GLY A 93 17.705 -2.434 3.942 1.00 0.76 O ATOM 0 H GLY A 93 14.510 0.176 2.667 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.406 -0.822 1.990 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.256 0.026 3.268 1.00 0.68 H new ATOM 1357 N ASN A 94 15.483 -2.487 4.304 1.00 0.54 N ATOM 1358 CA ASN A 94 15.514 -3.744 5.048 1.00 0.54 C ATOM 1359 C ASN A 94 14.226 -4.540 4.812 1.00 0.43 C ATOM 1360 O ASN A 94 13.283 -4.024 4.213 1.00 0.39 O ATOM 1361 CB ASN A 94 15.691 -3.459 6.543 1.00 0.59 C ATOM 1362 CG ASN A 94 14.412 -2.969 7.196 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.850 -1.892 6.662 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 13.937 -3.550 8.171 1.00 2.52 N flip ATOM 0 H ASN A 94 14.552 -2.083 4.202 1.00 0.54 H new ATOM 0 HA ASN A 94 16.356 -4.339 4.695 1.00 0.54 H new ATOM 0 HB2 ASN A 94 16.027 -4.366 7.045 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.473 -2.712 6.677 1.00 0.59 H new ATOM 0 HD21 ASN A 94 14.402 -4.375 8.550 1.00 2.52 H new ATOM 0 HD22 ASN A 94 13.078 -3.207 8.601 1.00 2.52 H new ATOM 1371 N PRO A 95 14.174 -5.817 5.250 1.00 0.41 N ATOM 1372 CA PRO A 95 12.971 -6.643 5.100 1.00 0.35 C ATOM 1373 C PRO A 95 11.763 -5.993 5.764 1.00 0.32 C ATOM 1374 O PRO A 95 11.519 -6.184 6.956 1.00 0.45 O ATOM 1375 CB PRO A 95 13.335 -7.951 5.808 1.00 0.44 C ATOM 1376 CG PRO A 95 14.824 -7.993 5.792 1.00 0.64 C ATOM 1377 CD PRO A 95 15.276 -6.562 5.888 1.00 0.51 C ATOM 0 HA PRO A 95 12.694 -6.784 4.055 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.950 -7.969 6.828 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.910 -8.812 5.292 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.207 -8.581 6.626 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.192 -8.459 4.878 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.423 -6.255 6.923 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.222 -6.403 5.371 1.00 0.51 H new ATOM 1385 N VAL A 96 11.010 -5.221 4.986 1.00 0.28 N ATOM 1386 CA VAL A 96 9.839 -4.526 5.503 1.00 0.33 C ATOM 1387 C VAL A 96 8.543 -5.209 5.083 1.00 0.28 C ATOM 1388 O VAL A 96 8.460 -5.815 4.014 1.00 0.30 O ATOM 1389 CB VAL A 96 9.808 -3.055 5.038 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.821 -2.231 5.816 1.00 0.64 C ATOM 1391 CG2 VAL A 96 10.068 -2.955 3.542 1.00 0.38 C ATOM 0 H VAL A 96 11.191 -5.062 3.995 1.00 0.28 H new ATOM 0 HA VAL A 96 9.917 -4.559 6.590 1.00 0.33 H new ATOM 0 HB VAL A 96 8.814 -2.654 5.235 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.786 -1.196 5.476 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.584 -2.272 6.879 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.821 -2.634 5.652 1.00 0.64 H new ATOM 0 HG21 VAL A 96 10.041 -1.909 3.237 1.00 0.38 H new ATOM 0 HG22 VAL A 96 11.048 -3.374 3.314 1.00 0.38 H new ATOM 0 HG23 VAL A 96 9.301 -3.510 3.002 1.00 0.38 H new ATOM 1401 N ARG A 97 7.534 -5.105 5.942 1.00 0.24 N ATOM 1402 CA ARG A 97 6.233 -5.697 5.682 1.00 0.22 C ATOM 1403 C ARG A 97 5.271 -4.635 5.168 1.00 0.18 C ATOM 1404 O ARG A 97 5.322 -3.479 5.596 1.00 0.18 O ATOM 1405 CB ARG A 97 5.684 -6.339 6.958 1.00 0.27 C ATOM 1406 CG ARG A 97 4.368 -7.071 6.761 1.00 0.69 C ATOM 1407 CD ARG A 97 3.911 -7.739 8.047 1.00 0.71 C ATOM 1408 NE ARG A 97 2.638 -8.433 7.882 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.850 -8.775 8.896 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.206 -8.491 10.141 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.703 -9.399 8.666 1.00 2.37 N ATOM 0 H ARG A 97 7.597 -4.610 6.832 1.00 0.24 H new ATOM 0 HA ARG A 97 6.340 -6.470 4.921 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.423 -7.039 7.348 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.548 -5.565 7.713 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.606 -6.369 6.422 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.480 -7.822 5.979 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.670 -8.448 8.376 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.815 -6.988 8.831 1.00 0.71 H new ATOM 0 HE ARG A 97 2.336 -8.669 6.936 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.086 -8.009 10.322 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.599 -8.755 10.918 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.424 -9.617 7.709 1.00 2.37 H new ATOM 0 HH22 ARG A 97 0.100 -9.661 9.446 1.00 2.37 H new ATOM 1425 N LEU A 98 4.397 -5.026 4.250 1.00 0.19 N ATOM 1426 CA LEU A 98 3.439 -4.096 3.670 1.00 0.18 C ATOM 1427 C LEU A 98 2.001 -4.517 3.964 1.00 0.18 C ATOM 1428 O LEU A 98 1.479 -5.446 3.348 1.00 0.30 O ATOM 1429 CB LEU A 98 3.648 -4.005 2.159 1.00 0.23 C ATOM 1430 CG LEU A 98 5.108 -3.946 1.698 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.190 -3.993 0.181 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.789 -2.692 2.227 1.00 0.37 C ATOM 0 H LEU A 98 4.332 -5.979 3.892 1.00 0.19 H new ATOM 0 HA LEU A 98 3.607 -3.120 4.124 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.172 -4.867 1.691 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.133 -3.118 1.791 1.00 0.23 H new ATOM 0 HG LEU A 98 5.628 -4.815 2.101 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.234 -3.950 -0.128 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.743 -4.919 -0.179 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.652 -3.143 -0.239 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.825 -2.670 1.888 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.267 -1.810 1.856 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.764 -2.697 3.317 1.00 0.37 H new ATOM 1444 N LEU A 99 1.368 -3.829 4.908 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.016 -4.120 5.268 1.00 0.19 C ATOM 1446 C LEU A 99 -0.960 -3.269 4.426 1.00 0.19 C ATOM 1447 O LEU A 99 -1.044 -2.056 4.613 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.256 -3.849 6.756 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.694 -4.064 7.232 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -2.089 -5.526 7.092 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.853 -3.605 8.674 1.00 0.36 C ATOM 0 H LEU A 99 1.790 -3.066 5.438 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.211 -5.175 5.073 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.403 -4.494 7.338 1.00 0.22 H new ATOM 0 HB3 LEU A 99 0.032 -2.820 6.973 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.356 -3.467 6.605 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -3.115 -5.660 7.435 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -2.014 -5.825 6.046 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.421 -6.143 7.694 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.882 -3.765 8.996 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.180 -4.176 9.314 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.611 -2.545 8.747 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.670 -3.907 3.501 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.589 -3.185 2.628 1.00 0.23 C ATOM 1465 C LEU A 100 -3.849 -3.992 2.334 1.00 0.24 C ATOM 1466 O LEU A 100 -3.928 -5.185 2.632 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.884 -2.814 1.318 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.892 -3.853 0.785 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.608 -5.127 0.367 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.098 -3.282 -0.380 1.00 0.31 C ATOM 0 H LEU A 100 -1.628 -4.913 3.337 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.895 -2.278 3.149 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.642 -2.637 0.555 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.354 -1.873 1.465 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.200 -4.103 1.589 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.880 -5.847 -0.007 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.129 -5.550 1.226 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.329 -4.898 -0.418 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.602 -4.033 -0.746 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.780 -3.000 -1.182 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.454 -2.403 -0.048 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.837 -3.321 1.751 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.101 -3.956 1.405 1.00 0.29 C ATOM 1484 C ILE A 101 -6.345 -3.879 -0.098 1.00 0.32 C ATOM 1485 O ILE A 101 -6.010 -2.882 -0.740 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.281 -3.292 2.142 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.585 -4.043 1.850 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.396 -1.831 1.737 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.791 -3.478 2.569 1.00 0.45 C ATOM 0 H ILE A 101 -4.785 -2.332 1.508 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.036 -5.000 1.712 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.096 -3.338 3.215 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.772 -4.023 0.776 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.462 -5.088 2.133 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.233 -1.372 2.264 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.475 -1.308 1.994 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.563 -1.764 0.662 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.675 -4.062 2.312 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.627 -3.523 3.646 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.941 -2.441 2.268 1.00 0.45 H new ATOM 1501 N ARG A 102 -6.927 -4.934 -0.655 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.211 -4.977 -2.086 1.00 0.46 C ATOM 1503 C ARG A 102 -8.169 -6.115 -2.412 1.00 0.60 C ATOM 1504 O ARG A 102 -7.993 -7.241 -1.945 1.00 0.81 O ATOM 1505 CB ARG A 102 -5.912 -5.142 -2.880 1.00 0.70 C ATOM 1506 CG ARG A 102 -5.754 -4.146 -4.019 1.00 1.27 C ATOM 1507 CD ARG A 102 -6.782 -4.371 -5.117 1.00 1.35 C ATOM 1508 NE ARG A 102 -6.622 -5.669 -5.769 1.00 1.49 N ATOM 1509 CZ ARG A 102 -6.895 -5.886 -7.053 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -7.334 -4.895 -7.818 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -6.729 -7.093 -7.573 1.00 2.20 N ATOM 0 H ARG A 102 -7.211 -5.768 -0.141 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.683 -4.036 -2.369 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.067 -5.038 -2.200 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -5.872 -6.153 -3.286 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.853 -3.132 -3.631 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -4.751 -4.230 -4.438 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -7.784 -4.301 -4.694 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.694 -3.580 -5.861 1.00 1.35 H new ATOM 0 HE ARG A 102 -6.283 -6.451 -5.209 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -7.463 -3.964 -7.422 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -7.542 -5.064 -8.802 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -6.391 -7.858 -6.989 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -6.939 -7.257 -8.558 1.00 2.20 H new