USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 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 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -162:sc= -0.0624 (180deg=-0.385) USER MOD Set 2.1: A 25 SER OG : rot 1:sc= 0.634 USER MOD Set 2.2: A 26 SER OG : rot 180:sc= -0.175 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= -0.0409 (180deg=-0.302) USER MOD Single : A 24 THR OG1 : rot 112:sc= 0.687 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.2) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 80 MET CE :methyl -139:sc= -0.104 (180deg=-1.38) USER MOD Single : A 82 GLN : amide:sc= -2.83! C(o=-2.8!,f=-5.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.902 F(o=-1.8,f=-0.9) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.235 F(o=-3.3!,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -11.034 -7.277 2.574 1.00 0.55 N ATOM 139 CA SER A 12 -10.227 -8.237 3.318 1.00 0.45 C ATOM 140 C SER A 12 -8.816 -7.706 3.549 1.00 0.39 C ATOM 141 O SER A 12 -8.209 -7.107 2.658 1.00 0.38 O ATOM 142 CB SER A 12 -10.166 -9.569 2.571 1.00 0.51 C ATOM 143 OG SER A 12 -9.372 -10.512 3.270 1.00 0.90 O ATOM 0 HA SER A 12 -10.698 -8.392 4.289 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.174 -9.963 2.442 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.755 -9.411 1.574 1.00 0.51 H new ATOM 0 HG SER A 12 -9.351 -11.355 2.771 1.00 0.90 H new ATOM 149 N LEU A 13 -8.303 -7.930 4.756 1.00 0.41 N ATOM 150 CA LEU A 13 -6.963 -7.483 5.118 1.00 0.40 C ATOM 151 C LEU A 13 -5.904 -8.402 4.521 1.00 0.45 C ATOM 152 O LEU A 13 -5.869 -9.597 4.815 1.00 0.68 O ATOM 153 CB LEU A 13 -6.812 -7.438 6.641 1.00 0.56 C ATOM 154 CG LEU A 13 -7.655 -6.376 7.348 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.669 -6.621 8.849 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.119 -4.988 7.039 1.00 0.79 C ATOM 0 H LEU A 13 -8.798 -8.420 5.501 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.820 -6.481 4.714 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -7.075 -8.416 7.045 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.763 -7.265 6.881 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.679 -6.442 6.980 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.273 -5.856 9.337 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.093 -7.604 9.053 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.650 -6.579 9.234 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -7.728 -4.241 7.548 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.088 -4.911 7.383 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.156 -4.815 5.964 1.00 0.79 H new ATOM 168 N TYR A 14 -5.044 -7.836 3.683 1.00 0.36 N ATOM 169 CA TYR A 14 -3.980 -8.602 3.045 1.00 0.50 C ATOM 170 C TYR A 14 -2.609 -8.056 3.434 1.00 0.31 C ATOM 171 O TYR A 14 -2.497 -6.940 3.941 1.00 0.37 O ATOM 172 CB TYR A 14 -4.154 -8.578 1.525 1.00 0.80 C ATOM 173 CG TYR A 14 -5.258 -9.487 1.030 1.00 0.68 C ATOM 174 CD1 TYR A 14 -5.028 -10.844 0.845 1.00 1.20 C ATOM 175 CD2 TYR A 14 -6.529 -8.993 0.751 1.00 0.71 C ATOM 176 CE1 TYR A 14 -6.029 -11.684 0.395 1.00 1.90 C ATOM 177 CE2 TYR A 14 -7.534 -9.829 0.303 1.00 1.34 C ATOM 178 CZ TYR A 14 -7.280 -11.172 0.125 1.00 1.98 C ATOM 179 OH TYR A 14 -8.279 -12.005 -0.321 1.00 2.73 O ATOM 0 H TYR A 14 -5.063 -6.848 3.429 1.00 0.36 H new ATOM 0 HA TYR A 14 -4.043 -9.634 3.390 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.365 -7.557 1.207 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.215 -8.870 1.055 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -4.050 -11.250 1.056 1.00 1.20 H new ATOM 0 HD2 TYR A 14 -6.733 -7.941 0.887 1.00 0.71 H new ATOM 0 HE1 TYR A 14 -5.832 -12.737 0.256 1.00 1.90 H new ATOM 0 HE2 TYR A 14 -8.516 -9.431 0.093 1.00 1.34 H new ATOM 0 HH TYR A 14 -9.098 -11.486 -0.463 1.00 2.73 H new ATOM 189 N SER A 15 -1.569 -8.850 3.201 1.00 0.43 N ATOM 190 CA SER A 15 -0.211 -8.439 3.534 1.00 0.38 C ATOM 191 C SER A 15 0.804 -9.105 2.612 1.00 0.33 C ATOM 192 O SER A 15 0.612 -10.240 2.176 1.00 0.41 O ATOM 193 CB SER A 15 0.106 -8.779 4.991 1.00 0.59 C ATOM 194 OG SER A 15 0.018 -10.175 5.220 1.00 1.19 O ATOM 0 H SER A 15 -1.641 -9.778 2.784 1.00 0.43 H new ATOM 0 HA SER A 15 -0.144 -7.360 3.397 1.00 0.38 H new ATOM 0 HB2 SER A 15 1.108 -8.429 5.240 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.587 -8.255 5.649 1.00 0.59 H new ATOM 0 HG SER A 15 0.227 -10.366 6.158 1.00 1.19 H new ATOM 200 N VAL A 16 1.886 -8.390 2.320 1.00 0.32 N ATOM 201 CA VAL A 16 2.936 -8.908 1.450 1.00 0.33 C ATOM 202 C VAL A 16 4.310 -8.704 2.079 1.00 0.31 C ATOM 203 O VAL A 16 4.604 -7.636 2.618 1.00 0.44 O ATOM 204 CB VAL A 16 2.911 -8.228 0.067 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.821 -8.960 -0.906 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.489 -8.160 -0.472 1.00 0.56 C ATOM 0 H VAL A 16 2.059 -7.449 2.674 1.00 0.32 H new ATOM 0 HA VAL A 16 2.747 -9.974 1.322 1.00 0.33 H new ATOM 0 HB VAL A 16 3.281 -7.209 0.179 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.790 -8.465 -1.876 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.843 -8.950 -0.526 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.484 -9.991 -1.014 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.493 -7.677 -1.449 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.088 -9.169 -0.568 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.867 -7.586 0.214 1.00 0.56 H new ATOM 216 N GLU A 17 5.148 -9.733 2.009 1.00 0.33 N ATOM 217 CA GLU A 17 6.488 -9.666 2.579 1.00 0.34 C ATOM 218 C GLU A 17 7.498 -9.140 1.564 1.00 0.32 C ATOM 219 O GLU A 17 7.788 -9.796 0.562 1.00 0.38 O ATOM 220 CB GLU A 17 6.921 -11.045 3.076 1.00 0.45 C ATOM 221 CG GLU A 17 6.108 -11.547 4.256 1.00 0.71 C ATOM 222 CD GLU A 17 6.560 -12.911 4.736 1.00 1.18 C ATOM 223 OE1 GLU A 17 7.542 -12.975 5.505 1.00 1.74 O ATOM 224 OE2 GLU A 17 5.932 -13.917 4.345 1.00 1.42 O ATOM 0 H GLU A 17 4.923 -10.622 1.563 1.00 0.33 H new ATOM 0 HA GLU A 17 6.458 -8.973 3.419 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.838 -11.760 2.257 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.973 -11.006 3.360 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.186 -10.833 5.076 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.056 -11.595 3.974 1.00 0.71 H new ATOM 231 N LEU A 18 8.030 -7.953 1.836 1.00 0.31 N ATOM 232 CA LEU A 18 9.018 -7.331 0.960 1.00 0.34 C ATOM 233 C LEU A 18 10.341 -7.137 1.694 1.00 0.38 C ATOM 234 O LEU A 18 10.403 -7.243 2.918 1.00 0.68 O ATOM 235 CB LEU A 18 8.502 -5.985 0.443 1.00 0.40 C ATOM 236 CG LEU A 18 7.813 -6.026 -0.925 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.791 -6.459 -2.008 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.609 -6.956 -0.891 1.00 0.71 C ATOM 0 H LEU A 18 7.793 -7.400 2.660 1.00 0.31 H new ATOM 0 HA LEU A 18 9.185 -7.993 0.111 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.800 -5.580 1.172 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.340 -5.291 0.388 1.00 0.40 H new ATOM 0 HG LEU A 18 7.465 -5.020 -1.161 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.281 -6.481 -2.971 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.620 -5.753 -2.053 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.173 -7.453 -1.777 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.133 -6.971 -1.872 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.934 -7.963 -0.630 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.896 -6.601 -0.147 1.00 0.71 H new ATOM 250 N PHE A 19 11.396 -6.851 0.939 1.00 0.41 N ATOM 251 CA PHE A 19 12.718 -6.644 1.521 1.00 0.43 C ATOM 252 C PHE A 19 13.613 -5.848 0.580 1.00 0.49 C ATOM 253 O PHE A 19 13.752 -6.188 -0.595 1.00 0.59 O ATOM 254 CB PHE A 19 13.371 -7.989 1.854 1.00 0.48 C ATOM 255 CG PHE A 19 13.423 -8.947 0.695 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.327 -9.736 0.379 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.567 -9.055 -0.081 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.373 -10.614 -0.687 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.617 -9.931 -1.148 1.00 2.08 C ATOM 260 CZ PHE A 19 13.518 -10.724 -1.442 1.00 1.94 C ATOM 0 H PHE A 19 11.362 -6.757 -0.076 1.00 0.41 H new ATOM 0 HA PHE A 19 12.594 -6.072 2.440 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.385 -7.810 2.210 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.823 -8.455 2.673 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.428 -9.663 0.973 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.429 -8.447 0.151 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.509 -11.215 -0.928 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.510 -9.998 -1.752 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.561 -11.426 -2.261 1.00 1.94 H new ATOM 270 N ARG A 20 14.218 -4.783 1.100 1.00 0.52 N ATOM 271 CA ARG A 20 15.105 -3.950 0.297 1.00 0.66 C ATOM 272 C ARG A 20 16.568 -4.271 0.594 1.00 0.68 C ATOM 273 O ARG A 20 17.216 -3.590 1.389 1.00 0.83 O ATOM 274 CB ARG A 20 14.830 -2.464 0.546 1.00 0.73 C ATOM 275 CG ARG A 20 15.713 -1.542 -0.280 1.00 0.99 C ATOM 276 CD ARG A 20 15.441 -0.076 0.020 1.00 1.19 C ATOM 277 NE ARG A 20 14.258 0.423 -0.676 1.00 1.60 N ATOM 278 CZ ARG A 20 14.093 1.698 -1.018 1.00 2.26 C ATOM 279 NH1 ARG A 20 15.032 2.591 -0.735 1.00 2.52 N ATOM 280 NH2 ARG A 20 12.990 2.083 -1.647 1.00 3.06 N ATOM 0 H ARG A 20 14.111 -4.479 2.068 1.00 0.52 H new ATOM 0 HA ARG A 20 14.908 -4.168 -0.753 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.785 -2.252 0.321 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.979 -2.246 1.604 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.760 -1.765 -0.078 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.545 -1.733 -1.340 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.309 0.054 1.094 1.00 1.19 H new ATOM 0 HD3 ARG A 20 16.308 0.518 -0.269 1.00 1.19 H new ATOM 0 HE ARG A 20 13.520 -0.240 -0.912 1.00 1.60 H new ATOM 0 HH11 ARG A 20 15.883 2.301 -0.254 1.00 2.52 H new ATOM 0 HH12 ARG A 20 14.903 3.568 -0.998 1.00 2.52 H new ATOM 0 HH21 ARG A 20 12.265 1.401 -1.870 1.00 3.06 H new ATOM 0 HH22 ARG A 20 12.867 3.061 -1.908 1.00 3.06 H new ATOM 294 N GLU A 21 17.078 -5.317 -0.048 1.00 0.82 N ATOM 295 CA GLU A 21 18.464 -5.731 0.140 1.00 0.93 C ATOM 296 C GLU A 21 19.346 -5.189 -0.979 1.00 1.16 C ATOM 297 O GLU A 21 20.569 -5.137 -0.849 1.00 1.57 O ATOM 298 CB GLU A 21 18.560 -7.257 0.185 1.00 1.09 C ATOM 299 CG GLU A 21 17.804 -7.881 1.347 1.00 1.62 C ATOM 300 CD GLU A 21 18.402 -7.522 2.693 1.00 2.00 C ATOM 301 OE1 GLU A 21 18.062 -6.443 3.225 1.00 2.58 O ATOM 302 OE2 GLU A 21 19.212 -8.317 3.215 1.00 2.21 O ATOM 0 H GLU A 21 16.552 -5.894 -0.704 1.00 0.82 H new ATOM 0 HA GLU A 21 18.815 -5.324 1.088 1.00 0.93 H new ATOM 0 HB2 GLU A 21 18.174 -7.665 -0.749 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.609 -7.545 0.249 1.00 1.09 H new ATOM 0 HG2 GLU A 21 16.765 -7.554 1.317 1.00 1.62 H new ATOM 0 HG3 GLU A 21 17.800 -8.965 1.233 1.00 1.62 H new ATOM 309 N LYS A 22 18.715 -4.790 -2.077 1.00 1.11 N ATOM 310 CA LYS A 22 19.439 -4.251 -3.223 1.00 1.40 C ATOM 311 C LYS A 22 19.480 -2.727 -3.165 1.00 1.31 C ATOM 312 O LYS A 22 18.528 -2.089 -2.715 1.00 1.38 O ATOM 313 CB LYS A 22 18.778 -4.704 -4.527 1.00 1.65 C ATOM 314 CG LYS A 22 18.558 -6.206 -4.612 1.00 2.00 C ATOM 315 CD LYS A 22 19.874 -6.964 -4.672 1.00 2.54 C ATOM 316 CE LYS A 22 19.648 -8.465 -4.761 1.00 3.05 C ATOM 317 NZ LYS A 22 18.846 -8.835 -5.959 1.00 3.72 N ATOM 0 H LYS A 22 17.703 -4.829 -2.198 1.00 1.11 H new ATOM 0 HA LYS A 22 20.461 -4.629 -3.191 1.00 1.40 H new ATOM 0 HB2 LYS A 22 17.818 -4.199 -4.632 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.397 -4.389 -5.367 1.00 1.65 H new ATOM 0 HG2 LYS A 22 17.985 -6.539 -3.747 1.00 2.00 H new ATOM 0 HG3 LYS A 22 17.964 -6.437 -5.496 1.00 2.00 H new ATOM 0 HD2 LYS A 22 20.449 -6.630 -5.536 1.00 2.54 H new ATOM 0 HD3 LYS A 22 20.467 -6.736 -3.786 1.00 2.54 H new ATOM 0 HE2 LYS A 22 20.610 -8.976 -4.796 1.00 3.05 H new ATOM 0 HE3 LYS A 22 19.137 -8.809 -3.862 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 18.925 -9.858 -6.127 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 17.849 -8.587 -5.799 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 19.203 -8.319 -6.788 1.00 3.72 H new ATOM 331 N ASP A 23 20.587 -2.150 -3.620 1.00 1.46 N ATOM 332 CA ASP A 23 20.746 -0.700 -3.619 1.00 1.51 C ATOM 333 C ASP A 23 20.040 -0.078 -4.820 1.00 1.31 C ATOM 334 O ASP A 23 20.684 0.400 -5.755 1.00 1.58 O ATOM 335 CB ASP A 23 22.230 -0.324 -3.632 1.00 1.91 C ATOM 336 CG ASP A 23 22.452 1.166 -3.454 1.00 2.29 C ATOM 337 OD1 ASP A 23 22.529 1.620 -2.294 1.00 2.58 O ATOM 338 OD2 ASP A 23 22.550 1.877 -4.476 1.00 2.87 O ATOM 0 H ASP A 23 21.386 -2.663 -3.993 1.00 1.46 H new ATOM 0 HA ASP A 23 20.291 -0.310 -2.708 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.745 -0.863 -2.837 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.675 -0.645 -4.574 1.00 1.91 H new ATOM 343 N THR A 24 18.711 -0.090 -4.790 1.00 1.02 N ATOM 344 CA THR A 24 17.918 0.473 -5.876 1.00 0.98 C ATOM 345 C THR A 24 17.250 1.774 -5.451 1.00 1.01 C ATOM 346 O THR A 24 16.682 2.489 -6.275 1.00 1.16 O ATOM 347 CB THR A 24 16.835 -0.511 -6.352 1.00 1.17 C ATOM 348 OG1 THR A 24 15.904 -0.766 -5.294 1.00 1.38 O ATOM 349 CG2 THR A 24 17.459 -1.820 -6.809 1.00 1.19 C ATOM 0 H THR A 24 18.161 -0.483 -4.026 1.00 1.02 H new ATOM 0 HA THR A 24 18.606 0.670 -6.698 1.00 0.98 H new ATOM 0 HB THR A 24 16.311 -0.060 -7.195 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.033 -0.380 -5.524 1.00 1.38 H new ATOM 0 HG21 THR A 24 16.675 -2.500 -7.141 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.146 -1.627 -7.633 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.004 -2.272 -5.981 1.00 1.19 H new ATOM 357 N SER A 25 17.321 2.065 -4.152 1.00 1.05 N ATOM 358 CA SER A 25 16.732 3.278 -3.591 1.00 1.35 C ATOM 359 C SER A 25 15.268 3.422 -4.001 1.00 1.17 C ATOM 360 O SER A 25 14.717 4.521 -3.988 1.00 1.39 O ATOM 361 CB SER A 25 17.525 4.514 -4.031 1.00 1.79 C ATOM 362 OG SER A 25 17.366 4.763 -5.417 1.00 2.45 O ATOM 0 H SER A 25 17.785 1.471 -3.465 1.00 1.05 H new ATOM 0 HA SER A 25 16.776 3.197 -2.505 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.192 5.383 -3.463 1.00 1.79 H new ATOM 0 HB3 SER A 25 18.581 4.370 -3.804 1.00 1.79 H new ATOM 0 HG SER A 25 16.768 4.090 -5.804 1.00 2.45 H new ATOM 368 N SER A 26 14.642 2.302 -4.357 1.00 0.84 N ATOM 369 CA SER A 26 13.241 2.303 -4.769 1.00 0.72 C ATOM 370 C SER A 26 12.615 0.923 -4.580 1.00 0.58 C ATOM 371 O SER A 26 13.184 -0.088 -4.991 1.00 0.69 O ATOM 372 CB SER A 26 13.118 2.730 -6.233 1.00 0.81 C ATOM 373 OG SER A 26 13.629 4.037 -6.429 1.00 1.40 O ATOM 0 H SER A 26 15.083 1.382 -4.368 1.00 0.84 H new ATOM 0 HA SER A 26 12.706 3.016 -4.141 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.658 2.026 -6.867 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.072 2.696 -6.538 1.00 0.81 H new ATOM 0 HG SER A 26 13.540 4.285 -7.373 1.00 1.40 H new ATOM 379 N LEU A 27 11.440 0.893 -3.959 1.00 0.42 N ATOM 380 CA LEU A 27 10.732 -0.360 -3.720 1.00 0.32 C ATOM 381 C LEU A 27 9.757 -0.650 -4.854 1.00 0.29 C ATOM 382 O LEU A 27 9.410 -1.804 -5.110 1.00 0.41 O ATOM 383 CB LEU A 27 9.986 -0.307 -2.383 1.00 0.35 C ATOM 384 CG LEU A 27 10.864 -0.474 -1.140 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.073 -0.156 0.119 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.428 -1.885 -1.072 1.00 0.43 C ATOM 0 H LEU A 27 10.958 1.722 -3.612 1.00 0.42 H new ATOM 0 HA LEU A 27 11.466 -1.165 -3.679 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.464 0.647 -2.314 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.225 -1.088 -2.378 1.00 0.35 H new ATOM 0 HG LEU A 27 11.696 0.227 -1.210 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.713 -0.280 0.992 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.716 0.873 0.074 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.222 -0.832 0.194 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.050 -1.986 -0.182 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.609 -2.602 -1.026 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.030 -2.079 -1.959 1.00 0.43 H new ATOM 398 N GLY A 28 9.318 0.406 -5.532 1.00 0.29 N ATOM 399 CA GLY A 28 8.392 0.247 -6.638 1.00 0.31 C ATOM 400 C GLY A 28 6.956 0.532 -6.246 1.00 0.29 C ATOM 401 O GLY A 28 6.028 -0.064 -6.793 1.00 0.52 O ATOM 0 H GLY A 28 9.588 1.370 -5.335 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.682 0.916 -7.448 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.464 -0.770 -7.023 1.00 0.31 H new ATOM 405 N ILE A 29 6.774 1.446 -5.299 1.00 0.35 N ATOM 406 CA ILE A 29 5.441 1.810 -4.835 1.00 0.32 C ATOM 407 C ILE A 29 5.067 3.216 -5.299 1.00 0.30 C ATOM 408 O ILE A 29 5.613 4.204 -4.810 1.00 0.35 O ATOM 409 CB ILE A 29 5.347 1.746 -3.298 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.865 0.396 -2.792 1.00 0.46 C ATOM 411 CG2 ILE A 29 3.912 1.975 -2.844 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.961 0.308 -1.284 1.00 0.84 C ATOM 0 H ILE A 29 7.533 1.948 -4.838 1.00 0.35 H new ATOM 0 HA ILE A 29 4.745 1.090 -5.264 1.00 0.32 H new ATOM 0 HB ILE A 29 5.969 2.535 -2.876 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.206 -0.394 -3.152 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.850 0.210 -3.221 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.862 1.927 -1.756 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.577 2.956 -3.179 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.268 1.206 -3.271 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.335 -0.676 -1.000 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.643 1.075 -0.917 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.974 0.461 -0.847 1.00 0.84 H new ATOM 424 N SER A 30 4.138 3.297 -6.248 1.00 0.27 N ATOM 425 CA SER A 30 3.695 4.583 -6.774 1.00 0.29 C ATOM 426 C SER A 30 2.325 4.956 -6.216 1.00 0.28 C ATOM 427 O SER A 30 1.292 4.613 -6.794 1.00 0.35 O ATOM 428 CB SER A 30 3.647 4.545 -8.303 1.00 0.33 C ATOM 429 OG SER A 30 4.912 4.212 -8.846 1.00 0.95 O ATOM 0 H SER A 30 3.679 2.488 -6.667 1.00 0.27 H new ATOM 0 HA SER A 30 4.412 5.342 -6.461 1.00 0.29 H new ATOM 0 HB2 SER A 30 2.905 3.816 -8.628 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.329 5.515 -8.684 1.00 0.33 H new ATOM 0 HG SER A 30 4.853 4.193 -9.824 1.00 0.95 H new ATOM 435 N ILE A 31 2.327 5.659 -5.087 1.00 0.25 N ATOM 436 CA ILE A 31 1.090 6.080 -4.440 1.00 0.27 C ATOM 437 C ILE A 31 0.615 7.428 -4.976 1.00 0.31 C ATOM 438 O ILE A 31 1.365 8.141 -5.643 1.00 0.41 O ATOM 439 CB ILE A 31 1.264 6.177 -2.912 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.456 7.074 -2.566 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.445 4.787 -2.314 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.624 7.320 -1.080 1.00 0.39 C ATOM 0 H ILE A 31 3.175 5.950 -4.600 1.00 0.25 H new ATOM 0 HA ILE A 31 0.340 5.322 -4.667 1.00 0.27 H new ATOM 0 HB ILE A 31 0.366 6.623 -2.485 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.367 6.619 -2.955 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.337 8.032 -3.072 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.567 4.869 -1.234 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.568 4.179 -2.535 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.330 4.318 -2.745 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.488 7.963 -0.913 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.730 7.805 -0.688 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.775 6.369 -0.569 1.00 0.39 H new ATOM 454 N SER A 32 -0.635 7.770 -4.676 1.00 0.37 N ATOM 455 CA SER A 32 -1.217 9.030 -5.128 1.00 0.44 C ATOM 456 C SER A 32 -2.132 9.622 -4.059 1.00 0.55 C ATOM 457 O SER A 32 -2.926 8.910 -3.444 1.00 0.59 O ATOM 458 CB SER A 32 -2.000 8.812 -6.424 1.00 0.48 C ATOM 459 OG SER A 32 -1.157 8.317 -7.450 1.00 1.32 O ATOM 0 H SER A 32 -1.265 7.191 -4.121 1.00 0.37 H new ATOM 0 HA SER A 32 -0.406 9.734 -5.313 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.814 8.109 -6.247 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.453 9.751 -6.742 1.00 0.48 H new ATOM 0 HG SER A 32 -1.637 8.335 -8.304 1.00 1.32 H new ATOM 465 N GLY A 33 -2.016 10.930 -3.847 1.00 0.70 N ATOM 466 CA GLY A 33 -2.834 11.599 -2.850 1.00 0.87 C ATOM 467 C GLY A 33 -4.312 11.575 -3.191 1.00 0.88 C ATOM 468 O GLY A 33 -4.686 11.372 -4.346 1.00 0.95 O ATOM 0 H GLY A 33 -1.369 11.539 -4.348 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -2.681 11.122 -1.882 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.505 12.634 -2.751 1.00 0.87 H new ATOM 634 N ILE A 46 -4.184 6.855 1.730 1.00 0.46 N ATOM 635 CA ILE A 46 -3.107 6.583 0.786 1.00 0.39 C ATOM 636 C ILE A 46 -3.319 5.243 0.087 1.00 0.39 C ATOM 637 O ILE A 46 -3.597 4.233 0.733 1.00 0.57 O ATOM 638 CB ILE A 46 -1.733 6.580 1.489 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.514 7.899 2.239 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.615 6.343 0.483 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.501 9.122 1.344 1.00 0.55 C ATOM 0 HA ILE A 46 -3.121 7.381 0.044 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.718 5.765 2.212 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.300 8.016 2.985 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.568 7.846 2.778 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.345 6.345 0.999 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.763 5.380 -0.005 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -0.626 7.135 -0.266 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -1.341 10.014 1.949 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.697 9.030 0.614 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -2.456 9.203 0.824 1.00 0.55 H new ATOM 653 N TYR A 47 -3.189 5.243 -1.237 1.00 0.30 N ATOM 654 CA TYR A 47 -3.374 4.026 -2.022 1.00 0.30 C ATOM 655 C TYR A 47 -2.411 3.982 -3.206 1.00 0.26 C ATOM 656 O TYR A 47 -1.981 5.021 -3.708 1.00 0.29 O ATOM 657 CB TYR A 47 -4.817 3.936 -2.523 1.00 0.36 C ATOM 658 CG TYR A 47 -5.218 5.075 -3.436 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.695 6.271 -2.916 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.119 4.953 -4.817 1.00 0.48 C ATOM 661 CE1 TYR A 47 -6.062 7.314 -3.744 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.483 5.992 -5.652 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.956 7.165 -5.117 1.00 0.58 C ATOM 664 OH TYR A 47 -6.318 8.206 -5.940 1.00 0.70 O ATOM 0 H TYR A 47 -2.957 6.070 -1.788 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.162 3.174 -1.376 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.950 2.993 -3.054 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.489 3.916 -1.665 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.781 6.388 -1.846 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.752 4.032 -5.244 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.429 8.239 -3.324 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.396 5.882 -6.723 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.185 7.945 -6.875 1.00 0.70 H new ATOM 674 N VAL A 48 -2.079 2.771 -3.645 1.00 0.26 N ATOM 675 CA VAL A 48 -1.175 2.582 -4.774 1.00 0.25 C ATOM 676 C VAL A 48 -1.939 2.610 -6.093 1.00 0.28 C ATOM 677 O VAL A 48 -2.874 1.833 -6.298 1.00 0.39 O ATOM 678 CB VAL A 48 -0.404 1.250 -4.663 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.434 1.003 -5.908 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.470 1.247 -3.421 1.00 0.29 C ATOM 0 H VAL A 48 -2.424 1.904 -3.234 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.460 3.405 -4.752 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.130 0.441 -4.579 1.00 0.27 H new ATOM 0 HG11 VAL A 48 0.968 0.058 -5.806 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -0.216 0.959 -6.782 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.152 1.814 -6.030 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.007 0.301 -3.357 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.185 2.068 -3.477 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.155 1.370 -2.536 1.00 0.29 H new ATOM 690 N LYS A 49 -1.533 3.508 -6.984 1.00 0.31 N ATOM 691 CA LYS A 49 -2.176 3.644 -8.285 1.00 0.38 C ATOM 692 C LYS A 49 -1.374 2.928 -9.367 1.00 0.32 C ATOM 693 O LYS A 49 -1.927 2.492 -10.378 1.00 0.37 O ATOM 694 CB LYS A 49 -2.336 5.124 -8.642 1.00 0.49 C ATOM 695 CG LYS A 49 -3.071 5.361 -9.953 1.00 0.61 C ATOM 696 CD LYS A 49 -3.251 6.846 -10.234 1.00 0.84 C ATOM 697 CE LYS A 49 -4.221 7.489 -9.254 1.00 1.65 C ATOM 698 NZ LYS A 49 -5.576 6.874 -9.328 1.00 2.40 N ATOM 0 H LYS A 49 -0.759 4.154 -6.828 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.162 3.182 -8.228 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.874 5.626 -7.838 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.349 5.583 -8.701 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.516 4.900 -10.770 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.047 4.876 -9.917 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.285 7.348 -10.173 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.617 6.982 -11.252 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -3.832 7.390 -8.241 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -4.295 8.556 -9.464 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -6.271 7.512 -8.891 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -5.831 6.714 -10.324 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -5.573 5.966 -8.821 1.00 2.40 H new ATOM 712 N SER A 50 -0.068 2.806 -9.149 1.00 0.28 N ATOM 713 CA SER A 50 0.807 2.139 -10.109 1.00 0.35 C ATOM 714 C SER A 50 2.015 1.518 -9.413 1.00 0.28 C ATOM 715 O SER A 50 2.252 1.752 -8.227 1.00 0.25 O ATOM 716 CB SER A 50 1.275 3.130 -11.176 1.00 0.49 C ATOM 717 OG SER A 50 0.176 3.653 -11.902 1.00 1.28 O ATOM 0 H SER A 50 0.407 3.159 -8.318 1.00 0.28 H new ATOM 0 HA SER A 50 0.237 1.341 -10.585 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.824 3.945 -10.704 1.00 0.49 H new ATOM 0 HB3 SER A 50 1.964 2.635 -11.860 1.00 0.49 H new ATOM 0 HG SER A 50 0.501 4.285 -12.577 1.00 1.28 H new ATOM 723 N LEU A 51 2.775 0.723 -10.161 1.00 0.32 N ATOM 724 CA LEU A 51 3.959 0.065 -9.622 1.00 0.27 C ATOM 725 C LEU A 51 5.141 0.209 -10.578 1.00 0.27 C ATOM 726 O LEU A 51 4.965 0.236 -11.796 1.00 0.42 O ATOM 727 CB LEU A 51 3.676 -1.419 -9.369 1.00 0.30 C ATOM 728 CG LEU A 51 2.605 -1.709 -8.315 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.300 -3.199 -8.265 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.049 -1.215 -6.946 1.00 0.32 C ATOM 0 H LEU A 51 2.591 0.519 -11.143 1.00 0.32 H new ATOM 0 HA LEU A 51 4.212 0.546 -8.677 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.372 -1.880 -10.309 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.604 -1.902 -9.063 1.00 0.30 H new ATOM 0 HG LEU A 51 1.697 -1.175 -8.595 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.537 -3.389 -7.511 1.00 0.40 H new ATOM 0 HD12 LEU A 51 1.938 -3.529 -9.239 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.207 -3.748 -8.010 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.273 -1.431 -6.212 1.00 0.32 H new ATOM 0 HD22 LEU A 51 3.971 -1.720 -6.659 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.221 -0.139 -6.986 1.00 0.32 H new ATOM 742 N ILE A 52 6.343 0.301 -10.017 1.00 0.24 N ATOM 743 CA ILE A 52 7.553 0.442 -10.821 1.00 0.24 C ATOM 744 C ILE A 52 8.139 -0.929 -11.171 1.00 0.23 C ATOM 745 O ILE A 52 8.681 -1.612 -10.302 1.00 0.28 O ATOM 746 CB ILE A 52 8.624 1.272 -10.084 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.051 2.629 -9.656 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.852 1.461 -10.966 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.601 3.498 -10.812 1.00 1.26 C ATOM 0 H ILE A 52 6.505 0.281 -9.010 1.00 0.24 H new ATOM 0 HA ILE A 52 7.269 0.961 -11.736 1.00 0.24 H new ATOM 0 HB ILE A 52 8.926 0.730 -9.188 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.205 2.461 -8.990 1.00 0.36 H new ATOM 0 HG13 ILE A 52 8.806 3.167 -9.083 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.598 2.049 -10.431 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.271 0.487 -11.220 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.567 1.982 -11.880 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.208 4.440 -10.428 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.448 3.699 -11.468 1.00 1.26 H new ATOM 0 HD13 ILE A 52 6.822 2.982 -11.373 1.00 1.26 H new ATOM 761 N PRO A 53 8.040 -1.350 -12.448 1.00 0.31 N ATOM 762 CA PRO A 53 8.564 -2.648 -12.890 1.00 0.35 C ATOM 763 C PRO A 53 10.070 -2.764 -12.684 1.00 0.34 C ATOM 764 O PRO A 53 10.816 -1.821 -12.947 1.00 0.46 O ATOM 765 CB PRO A 53 8.222 -2.696 -14.383 1.00 0.43 C ATOM 766 CG PRO A 53 7.985 -1.277 -14.774 1.00 0.82 C ATOM 767 CD PRO A 53 7.421 -0.604 -13.558 1.00 0.47 C ATOM 0 HA PRO A 53 8.132 -3.471 -12.320 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.037 -3.133 -14.960 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.339 -3.308 -14.565 1.00 0.43 H new ATOM 0 HG2 PRO A 53 8.912 -0.799 -15.090 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.291 -1.214 -15.613 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.679 0.454 -13.526 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.333 -0.668 -13.530 1.00 0.47 H new ATOM 775 N GLY A 54 10.509 -3.927 -12.214 1.00 0.39 N ATOM 776 CA GLY A 54 11.924 -4.147 -11.983 1.00 0.41 C ATOM 777 C GLY A 54 12.312 -3.953 -10.529 1.00 0.39 C ATOM 778 O GLY A 54 13.423 -4.296 -10.127 1.00 0.49 O ATOM 0 H GLY A 54 9.910 -4.721 -11.989 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.187 -5.158 -12.294 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.501 -3.462 -12.604 1.00 0.41 H new ATOM 782 N SER A 55 11.393 -3.401 -9.741 1.00 0.35 N ATOM 783 CA SER A 55 11.646 -3.160 -8.324 1.00 0.35 C ATOM 784 C SER A 55 11.243 -4.369 -7.484 1.00 0.32 C ATOM 785 O SER A 55 10.838 -5.399 -8.020 1.00 0.36 O ATOM 786 CB SER A 55 10.888 -1.919 -7.851 1.00 0.37 C ATOM 787 OG SER A 55 11.286 -0.770 -8.579 1.00 1.23 O ATOM 0 H SER A 55 10.468 -3.113 -10.059 1.00 0.35 H new ATOM 0 HA SER A 55 12.716 -2.993 -8.196 1.00 0.35 H new ATOM 0 HB2 SER A 55 9.816 -2.076 -7.971 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.070 -1.761 -6.788 1.00 0.37 H new ATOM 0 HG SER A 55 10.786 0.010 -8.259 1.00 1.23 H new ATOM 793 N ALA A 56 11.357 -4.234 -6.167 1.00 0.35 N ATOM 794 CA ALA A 56 11.009 -5.318 -5.254 1.00 0.36 C ATOM 795 C ALA A 56 9.509 -5.595 -5.263 1.00 0.32 C ATOM 796 O ALA A 56 9.075 -6.707 -5.568 1.00 0.34 O ATOM 797 CB ALA A 56 11.476 -4.984 -3.846 1.00 0.42 C ATOM 0 H ALA A 56 11.687 -3.385 -5.708 1.00 0.35 H new ATOM 0 HA ALA A 56 11.515 -6.221 -5.595 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.212 -5.799 -3.172 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.557 -4.848 -3.844 1.00 0.42 H new ATOM 0 HB3 ALA A 56 10.994 -4.065 -3.511 1.00 0.42 H new ATOM 803 N ALA A 57 8.723 -4.576 -4.926 1.00 0.30 N ATOM 804 CA ALA A 57 7.270 -4.699 -4.885 1.00 0.30 C ATOM 805 C ALA A 57 6.714 -5.245 -6.197 1.00 0.30 C ATOM 806 O ALA A 57 5.703 -5.948 -6.207 1.00 0.35 O ATOM 807 CB ALA A 57 6.641 -3.351 -4.570 1.00 0.32 C ATOM 0 H ALA A 57 9.072 -3.651 -4.676 1.00 0.30 H new ATOM 0 HA ALA A 57 7.018 -5.409 -4.097 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.556 -3.453 -4.542 1.00 0.32 H new ATOM 0 HB2 ALA A 57 6.998 -3.000 -3.602 1.00 0.32 H new ATOM 0 HB3 ALA A 57 6.917 -2.631 -5.341 1.00 0.32 H new ATOM 813 N ALA A 58 7.377 -4.918 -7.303 1.00 0.31 N ATOM 814 CA ALA A 58 6.941 -5.373 -8.619 1.00 0.33 C ATOM 815 C ALA A 58 7.284 -6.842 -8.843 1.00 0.34 C ATOM 816 O ALA A 58 6.432 -7.631 -9.254 1.00 0.44 O ATOM 817 CB ALA A 58 7.565 -4.512 -9.706 1.00 0.37 C ATOM 0 H ALA A 58 8.217 -4.340 -7.314 1.00 0.31 H new ATOM 0 HA ALA A 58 5.857 -5.274 -8.666 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.232 -4.862 -10.683 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.260 -3.475 -9.568 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.651 -4.582 -9.647 1.00 0.37 H new ATOM 823 N LEU A 59 8.535 -7.205 -8.575 1.00 0.35 N ATOM 824 CA LEU A 59 8.987 -8.581 -8.752 1.00 0.39 C ATOM 825 C LEU A 59 8.238 -9.529 -7.820 1.00 0.42 C ATOM 826 O LEU A 59 8.197 -10.737 -8.054 1.00 0.57 O ATOM 827 CB LEU A 59 10.493 -8.686 -8.498 1.00 0.47 C ATOM 828 CG LEU A 59 11.379 -7.998 -9.538 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.827 -7.983 -9.074 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.259 -8.694 -10.885 1.00 0.61 C ATOM 0 H LEU A 59 9.253 -6.566 -8.235 1.00 0.35 H new ATOM 0 HA LEU A 59 8.777 -8.871 -9.781 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.711 -8.259 -7.519 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.765 -9.741 -8.453 1.00 0.47 H new ATOM 0 HG LEU A 59 11.041 -6.968 -9.652 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.445 -7.490 -9.825 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.901 -7.442 -8.131 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.175 -9.006 -8.933 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.896 -8.191 -11.612 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.571 -9.734 -10.786 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.223 -8.657 -11.223 1.00 0.61 H new ATOM 842 N ASP A 60 7.649 -8.976 -6.765 1.00 0.44 N ATOM 843 CA ASP A 60 6.906 -9.776 -5.798 1.00 0.52 C ATOM 844 C ASP A 60 5.762 -10.525 -6.477 1.00 0.61 C ATOM 845 O ASP A 60 5.664 -11.748 -6.376 1.00 0.79 O ATOM 846 CB ASP A 60 6.359 -8.889 -4.679 1.00 0.74 C ATOM 847 CG ASP A 60 5.769 -9.697 -3.539 1.00 1.08 C ATOM 848 OD1 ASP A 60 4.632 -10.190 -3.688 1.00 1.86 O ATOM 849 OD2 ASP A 60 6.445 -9.835 -2.499 1.00 1.32 O ATOM 0 H ASP A 60 7.672 -7.978 -6.558 1.00 0.44 H new ATOM 0 HA ASP A 60 7.591 -10.507 -5.367 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.160 -8.256 -4.296 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.595 -8.226 -5.085 1.00 0.74 H new ATOM 854 N GLY A 61 4.902 -9.782 -7.166 1.00 0.72 N ATOM 855 CA GLY A 61 3.781 -10.393 -7.857 1.00 1.06 C ATOM 856 C GLY A 61 2.479 -10.268 -7.091 1.00 0.83 C ATOM 857 O GLY A 61 1.441 -9.944 -7.669 1.00 0.94 O ATOM 0 H GLY A 61 4.961 -8.768 -7.258 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.667 -9.928 -8.836 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.997 -11.448 -8.028 1.00 1.06 H new ATOM 861 N ARG A 62 2.533 -10.525 -5.787 1.00 0.63 N ATOM 862 CA ARG A 62 1.346 -10.446 -4.942 1.00 0.59 C ATOM 863 C ARG A 62 0.766 -9.035 -4.936 1.00 0.52 C ATOM 864 O ARG A 62 -0.440 -8.853 -4.766 1.00 0.69 O ATOM 865 CB ARG A 62 1.679 -10.881 -3.513 1.00 0.67 C ATOM 866 CG ARG A 62 2.223 -12.298 -3.422 1.00 0.81 C ATOM 867 CD ARG A 62 2.484 -12.704 -1.980 1.00 1.05 C ATOM 868 NE ARG A 62 1.277 -12.626 -1.161 1.00 1.31 N ATOM 869 CZ ARG A 62 1.013 -13.455 -0.156 1.00 1.93 C ATOM 870 NH1 ARG A 62 1.860 -14.432 0.144 1.00 2.26 N ATOM 871 NH2 ARG A 62 -0.101 -13.311 0.549 1.00 2.59 N ATOM 0 H ARG A 62 3.385 -10.789 -5.293 1.00 0.63 H new ATOM 0 HA ARG A 62 0.597 -11.121 -5.355 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.411 -10.191 -3.093 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.781 -10.805 -2.900 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.513 -12.991 -3.873 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.148 -12.371 -3.995 1.00 0.81 H new ATOM 0 HD2 ARG A 62 2.874 -13.722 -1.955 1.00 1.05 H new ATOM 0 HD3 ARG A 62 3.252 -12.058 -1.555 1.00 1.05 H new ATOM 0 HE ARG A 62 0.599 -11.894 -1.372 1.00 1.31 H new ATOM 0 HH11 ARG A 62 2.717 -14.548 -0.397 1.00 2.26 H new ATOM 0 HH12 ARG A 62 1.654 -15.066 0.916 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -0.756 -12.564 0.320 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -0.303 -13.948 1.320 1.00 2.59 H new ATOM 885 N ILE A 63 1.628 -8.039 -5.120 1.00 0.48 N ATOM 886 CA ILE A 63 1.190 -6.649 -5.134 1.00 0.48 C ATOM 887 C ILE A 63 0.712 -6.237 -6.523 1.00 0.49 C ATOM 888 O ILE A 63 1.509 -6.099 -7.451 1.00 0.59 O ATOM 889 CB ILE A 63 2.315 -5.695 -4.684 1.00 0.58 C ATOM 890 CG1 ILE A 63 2.877 -6.142 -3.331 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.796 -4.266 -4.602 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.080 -5.343 -2.875 1.00 0.92 C ATOM 0 H ILE A 63 2.630 -8.169 -5.261 1.00 0.48 H new ATOM 0 HA ILE A 63 0.361 -6.574 -4.430 1.00 0.48 H new ATOM 0 HB ILE A 63 3.118 -5.727 -5.421 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.093 -6.062 -2.578 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.154 -7.194 -3.393 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.601 -3.604 -4.283 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.436 -3.953 -5.582 1.00 0.66 H new ATOM 0 HG23 ILE A 63 0.979 -4.216 -3.882 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.421 -5.718 -1.910 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.882 -5.443 -3.607 1.00 0.92 H new ATOM 0 HD13 ILE A 63 3.804 -4.293 -2.779 1.00 0.92 H new ATOM 904 N GLU A 64 -0.597 -6.047 -6.655 1.00 0.51 N ATOM 905 CA GLU A 64 -1.192 -5.648 -7.926 1.00 0.58 C ATOM 906 C GLU A 64 -1.726 -4.217 -7.836 1.00 0.56 C ATOM 907 O GLU A 64 -2.301 -3.836 -6.816 1.00 0.66 O ATOM 908 CB GLU A 64 -2.325 -6.609 -8.301 1.00 0.79 C ATOM 909 CG GLU A 64 -2.937 -6.335 -9.666 1.00 1.09 C ATOM 910 CD GLU A 64 -4.080 -7.278 -9.990 1.00 1.39 C ATOM 911 OE1 GLU A 64 -3.809 -8.399 -10.468 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.249 -6.893 -9.767 1.00 1.98 O ATOM 0 H GLU A 64 -1.268 -6.163 -5.895 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.424 -5.687 -8.699 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -1.944 -7.630 -8.283 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.107 -6.547 -7.544 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.298 -5.307 -9.699 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -2.166 -6.427 -10.431 1.00 1.09 H new ATOM 919 N PRO A 65 -1.535 -3.401 -8.894 1.00 0.56 N ATOM 920 CA PRO A 65 -2.010 -2.013 -8.915 1.00 0.64 C ATOM 921 C PRO A 65 -3.457 -1.880 -8.448 1.00 0.72 C ATOM 922 O PRO A 65 -4.185 -2.870 -8.357 1.00 1.44 O ATOM 923 CB PRO A 65 -1.886 -1.622 -10.387 1.00 0.77 C ATOM 924 CG PRO A 65 -0.769 -2.460 -10.904 1.00 0.83 C ATOM 925 CD PRO A 65 -0.835 -3.760 -10.147 1.00 0.62 C ATOM 0 HA PRO A 65 -1.438 -1.378 -8.238 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.812 -1.817 -10.929 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.669 -0.560 -10.498 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -0.872 -2.628 -11.976 1.00 0.83 H new ATOM 0 HG3 PRO A 65 0.191 -1.968 -10.749 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.379 -4.521 -10.706 1.00 0.62 H new ATOM 0 HD3 PRO A 65 0.160 -4.159 -9.950 1.00 0.62 H new ATOM 933 N ASN A 66 -3.865 -0.647 -8.156 1.00 0.60 N ATOM 934 CA ASN A 66 -5.223 -0.371 -7.692 1.00 0.59 C ATOM 935 C ASN A 66 -5.482 -1.038 -6.343 1.00 0.51 C ATOM 936 O ASN A 66 -6.444 -1.789 -6.183 1.00 0.73 O ATOM 937 CB ASN A 66 -6.254 -0.843 -8.723 1.00 0.66 C ATOM 938 CG ASN A 66 -6.067 -0.181 -10.073 1.00 1.34 C ATOM 939 OD1 ASN A 66 -5.604 0.956 -10.162 1.00 2.15 O ATOM 940 ND2 ASN A 66 -6.433 -0.890 -11.136 1.00 2.01 N ATOM 0 H ASN A 66 -3.272 0.180 -8.233 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.323 0.707 -7.569 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.179 -1.924 -8.838 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.257 -0.630 -8.353 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -6.335 -0.495 -12.071 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -6.812 -1.829 -11.017 1.00 2.01 H new ATOM 947 N ASP A 67 -4.612 -0.753 -5.379 1.00 0.36 N ATOM 948 CA ASP A 67 -4.736 -1.315 -4.036 1.00 0.34 C ATOM 949 C ASP A 67 -4.677 -0.206 -2.992 1.00 0.30 C ATOM 950 O ASP A 67 -4.204 0.894 -3.275 1.00 0.38 O ATOM 951 CB ASP A 67 -3.624 -2.335 -3.783 1.00 0.41 C ATOM 952 CG ASP A 67 -2.243 -1.730 -3.934 1.00 1.17 C ATOM 953 OD1 ASP A 67 -1.707 -1.747 -5.062 1.00 2.02 O ATOM 954 OD2 ASP A 67 -1.697 -1.240 -2.923 1.00 1.46 O ATOM 0 H ASP A 67 -3.811 -0.134 -5.502 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.699 -1.820 -3.958 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.731 -2.744 -2.778 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.732 -3.167 -4.479 1.00 0.41 H new ATOM 959 N LYS A 68 -5.157 -0.495 -1.783 1.00 0.27 N ATOM 960 CA LYS A 68 -5.154 0.499 -0.716 1.00 0.28 C ATOM 961 C LYS A 68 -4.152 0.135 0.376 1.00 0.26 C ATOM 962 O LYS A 68 -4.228 -0.940 0.968 1.00 0.38 O ATOM 963 CB LYS A 68 -6.555 0.636 -0.118 1.00 0.37 C ATOM 964 CG LYS A 68 -6.644 1.677 0.983 1.00 0.53 C ATOM 965 CD LYS A 68 -8.062 1.808 1.511 1.00 0.53 C ATOM 966 CE LYS A 68 -8.150 2.843 2.617 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.541 2.994 3.129 1.00 1.02 N ATOM 0 H LYS A 68 -5.548 -1.400 -1.522 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.853 1.454 -1.147 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.256 0.896 -0.911 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.868 -0.330 0.280 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.975 1.404 1.799 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.306 2.641 0.602 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.730 2.087 0.696 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.402 0.843 1.886 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.491 2.555 3.436 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.794 3.804 2.244 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.558 3.710 3.883 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -10.166 3.293 2.353 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.872 2.084 3.509 1.00 1.02 H new ATOM 981 N ILE A 69 -3.214 1.042 0.638 1.00 0.24 N ATOM 982 CA ILE A 69 -2.201 0.818 1.664 1.00 0.21 C ATOM 983 C ILE A 69 -2.677 1.339 3.013 1.00 0.21 C ATOM 984 O ILE A 69 -3.387 2.343 3.085 1.00 0.29 O ATOM 985 CB ILE A 69 -0.869 1.503 1.304 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.434 1.122 -0.113 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.210 1.132 2.312 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.204 -0.363 -0.308 1.00 0.28 C ATOM 0 H ILE A 69 -3.135 1.937 0.155 1.00 0.24 H new ATOM 0 HA ILE A 69 -2.038 -0.258 1.722 1.00 0.21 H new ATOM 0 HB ILE A 69 -1.017 2.582 1.339 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.195 1.457 -0.818 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.484 1.657 -0.356 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.144 1.624 2.043 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.096 1.454 3.307 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.355 0.052 2.309 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.101 -0.552 -1.337 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.578 -0.702 0.371 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -1.126 -0.905 -0.098 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.282 0.654 4.080 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.673 1.045 5.427 1.00 0.21 C ATOM 1002 C LEU A 70 -1.461 1.456 6.258 1.00 0.20 C ATOM 1003 O LEU A 70 -1.323 2.621 6.640 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.414 -0.103 6.117 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.696 -0.560 5.416 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.278 -1.779 6.116 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.716 0.568 5.376 1.00 0.38 C ATOM 0 H LEU A 70 -1.690 -0.176 4.037 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.338 1.905 5.346 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.739 -0.955 6.198 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.663 0.204 7.133 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.448 -0.835 4.391 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.189 -2.091 5.605 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.553 -2.592 6.094 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.510 -1.528 7.151 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.620 0.223 4.874 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.960 0.874 6.393 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.300 1.416 4.832 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.577 0.501 6.534 1.00 0.20 N ATOM 1020 CA ARG A 71 0.609 0.785 7.333 1.00 0.25 C ATOM 1021 C ARG A 71 1.785 -0.109 6.950 1.00 0.18 C ATOM 1022 O ARG A 71 1.630 -1.312 6.736 1.00 0.26 O ATOM 1023 CB ARG A 71 0.292 0.606 8.818 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.145 -0.803 9.184 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.407 -0.935 10.675 1.00 0.77 C ATOM 1026 NE ARG A 71 0.797 -0.700 11.467 1.00 1.38 N ATOM 1027 CZ ARG A 71 0.778 -0.348 12.749 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -0.377 -0.191 13.381 1.00 1.17 N ATOM 1029 NH2 ARG A 71 1.916 -0.156 13.403 1.00 2.61 N ATOM 0 H ARG A 71 -0.658 -0.466 6.220 1.00 0.20 H new ATOM 0 HA ARG A 71 0.897 1.817 7.135 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.174 0.867 9.403 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.495 1.306 9.099 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.048 -1.060 8.631 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.626 -1.513 8.885 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.179 -0.225 10.971 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.792 -1.932 10.888 1.00 0.77 H new ATOM 0 HE ARG A 71 1.703 -0.812 11.012 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.255 -0.340 12.884 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -0.388 0.079 14.365 1.00 1.17 H new ATOM 0 HH21 ARG A 71 2.807 -0.278 12.922 1.00 2.61 H new ATOM 0 HH22 ARG A 71 1.900 0.114 14.386 1.00 2.61 H new ATOM 1043 N VAL A 72 2.964 0.501 6.864 1.00 0.21 N ATOM 1044 CA VAL A 72 4.189 -0.219 6.537 1.00 0.17 C ATOM 1045 C VAL A 72 4.777 -0.826 7.811 1.00 0.17 C ATOM 1046 O VAL A 72 4.251 -0.604 8.900 1.00 0.20 O ATOM 1047 CB VAL A 72 5.224 0.719 5.872 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.379 -0.063 5.265 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.553 1.581 4.818 1.00 0.28 C ATOM 0 H VAL A 72 3.096 1.501 7.018 1.00 0.21 H new ATOM 0 HA VAL A 72 3.948 -1.012 5.829 1.00 0.17 H new ATOM 0 HB VAL A 72 5.635 1.365 6.648 1.00 0.20 H new ATOM 0 HG11 VAL A 72 7.086 0.629 4.807 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.883 -0.633 6.046 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.997 -0.746 4.507 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.293 2.236 4.358 1.00 0.28 H new ATOM 0 HG22 VAL A 72 4.109 0.942 4.054 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.774 2.184 5.284 1.00 0.28 H new ATOM 1059 N ASP A 73 5.848 -1.601 7.674 1.00 0.18 N ATOM 1060 CA ASP A 73 6.492 -2.230 8.823 1.00 0.21 C ATOM 1061 C ASP A 73 6.718 -1.232 9.961 1.00 0.22 C ATOM 1062 O ASP A 73 7.577 -0.356 9.873 1.00 0.23 O ATOM 1063 CB ASP A 73 7.829 -2.842 8.403 1.00 0.26 C ATOM 1064 CG ASP A 73 8.332 -3.871 9.396 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.977 -3.475 10.388 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.080 -5.076 9.178 1.00 0.79 O ATOM 0 H ASP A 73 6.289 -1.809 6.778 1.00 0.18 H new ATOM 0 HA ASP A 73 5.826 -3.012 9.188 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.720 -3.309 7.424 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.571 -2.050 8.298 1.00 0.26 H new ATOM 1071 N ASP A 74 5.936 -1.381 11.030 1.00 0.25 N ATOM 1072 CA ASP A 74 6.044 -0.519 12.209 1.00 0.29 C ATOM 1073 C ASP A 74 5.984 0.969 11.857 1.00 0.25 C ATOM 1074 O ASP A 74 6.396 1.813 12.652 1.00 0.29 O ATOM 1075 CB ASP A 74 7.343 -0.818 12.961 1.00 0.35 C ATOM 1076 CG ASP A 74 7.381 -2.232 13.508 1.00 1.20 C ATOM 1077 OD1 ASP A 74 6.849 -2.455 14.616 1.00 1.34 O ATOM 1078 OD2 ASP A 74 7.944 -3.116 12.830 1.00 2.01 O ATOM 0 H ASP A 74 5.214 -2.098 11.104 1.00 0.25 H new ATOM 0 HA ASP A 74 5.185 -0.739 12.843 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.190 -0.667 12.292 1.00 0.35 H new ATOM 0 HB3 ASP A 74 7.456 -0.110 13.782 1.00 0.35 H new ATOM 1083 N VAL A 75 5.468 1.290 10.673 1.00 0.27 N ATOM 1084 CA VAL A 75 5.361 2.682 10.240 1.00 0.27 C ATOM 1085 C VAL A 75 4.120 2.902 9.380 1.00 0.37 C ATOM 1086 O VAL A 75 4.108 2.561 8.198 1.00 0.79 O ATOM 1087 CB VAL A 75 6.605 3.129 9.442 1.00 0.36 C ATOM 1088 CG1 VAL A 75 6.444 4.560 8.952 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.866 2.991 10.282 1.00 0.41 C ATOM 0 H VAL A 75 5.119 0.609 9.999 1.00 0.27 H new ATOM 0 HA VAL A 75 5.285 3.282 11.147 1.00 0.27 H new ATOM 0 HB VAL A 75 6.701 2.477 8.574 1.00 0.36 H new ATOM 0 HG11 VAL A 75 7.332 4.855 8.392 1.00 0.40 H new ATOM 0 HG12 VAL A 75 5.569 4.627 8.306 1.00 0.40 H new ATOM 0 HG13 VAL A 75 6.316 5.225 9.806 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.729 3.312 9.698 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.779 3.613 11.173 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.994 1.950 10.577 1.00 0.41 H new ATOM 1099 N ASN A 76 3.079 3.479 9.975 1.00 0.30 N ATOM 1100 CA ASN A 76 1.839 3.747 9.254 1.00 0.37 C ATOM 1101 C ASN A 76 2.081 4.729 8.115 1.00 0.42 C ATOM 1102 O ASN A 76 2.998 5.547 8.178 1.00 0.58 O ATOM 1103 CB ASN A 76 0.778 4.302 10.207 1.00 0.46 C ATOM 1104 CG ASN A 76 0.517 3.381 11.382 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -0.352 2.509 11.323 1.00 2.24 O ATOM 1106 ND2 ASN A 76 1.268 3.570 12.459 1.00 2.08 N ATOM 0 H ASN A 76 3.070 3.769 10.953 1.00 0.30 H new ATOM 0 HA ASN A 76 1.479 2.808 8.833 1.00 0.37 H new ATOM 0 HB2 ASN A 76 1.100 5.276 10.577 1.00 0.46 H new ATOM 0 HB3 ASN A 76 -0.151 4.460 9.659 1.00 0.46 H new ATOM 0 HD21 ASN A 76 1.137 2.981 13.282 1.00 2.08 H new ATOM 0 HD22 ASN A 76 1.976 4.304 12.464 1.00 2.08 H new ATOM 1113 N VAL A 77 1.256 4.648 7.072 1.00 0.35 N ATOM 1114 CA VAL A 77 1.397 5.537 5.924 1.00 0.43 C ATOM 1115 C VAL A 77 0.043 5.944 5.351 1.00 0.53 C ATOM 1116 O VAL A 77 -0.186 5.847 4.145 1.00 0.67 O ATOM 1117 CB VAL A 77 2.243 4.890 4.810 1.00 0.47 C ATOM 1118 CG1 VAL A 77 3.705 4.818 5.225 1.00 0.45 C ATOM 1119 CG2 VAL A 77 1.709 3.506 4.469 1.00 0.53 C ATOM 0 H VAL A 77 0.489 3.980 7.000 1.00 0.35 H new ATOM 0 HA VAL A 77 1.906 6.429 6.288 1.00 0.43 H new ATOM 0 HB VAL A 77 2.172 5.511 3.917 1.00 0.47 H new ATOM 0 HG11 VAL A 77 4.288 4.358 4.427 1.00 0.45 H new ATOM 0 HG12 VAL A 77 4.079 5.824 5.415 1.00 0.45 H new ATOM 0 HG13 VAL A 77 3.797 4.220 6.132 1.00 0.45 H new ATOM 0 HG21 VAL A 77 2.319 3.065 3.681 1.00 0.53 H new ATOM 0 HG22 VAL A 77 1.748 2.873 5.355 1.00 0.53 H new ATOM 0 HG23 VAL A 77 0.677 3.588 4.127 1.00 0.53 H new ATOM 1129 N GLN A 78 -0.850 6.402 6.221 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.175 6.838 5.794 1.00 0.72 C ATOM 1131 C GLN A 78 -2.630 8.042 6.608 1.00 0.61 C ATOM 1132 O GLN A 78 -3.823 8.332 6.701 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.189 5.699 5.921 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.344 5.167 7.338 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.582 4.303 7.511 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -4.968 3.588 6.457 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.181 4.271 8.586 1.00 1.05 N flip ATOM 0 H GLN A 78 -0.682 6.481 7.224 1.00 0.59 H new ATOM 0 HA GLN A 78 -2.114 7.129 4.745 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -4.159 6.048 5.566 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -2.886 4.881 5.267 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.461 4.585 7.601 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -3.392 6.006 8.033 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -4.852 4.835 9.370 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.006 3.681 8.693 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.664 8.739 7.196 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.967 9.910 7.994 1.00 0.48 C ATOM 1148 C GLY A 79 -0.928 11.001 7.830 1.00 0.41 C ATOM 1149 O GLY A 79 -1.071 12.093 8.380 1.00 0.55 O ATOM 0 H GLY A 79 -0.672 8.511 7.133 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.946 10.297 7.710 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.029 9.625 9.044 1.00 0.48 H new ATOM 1153 N MET A 80 0.124 10.702 7.072 1.00 0.32 N ATOM 1154 CA MET A 80 1.193 11.664 6.832 1.00 0.33 C ATOM 1155 C MET A 80 1.143 12.179 5.399 1.00 0.30 C ATOM 1156 O MET A 80 0.350 11.704 4.585 1.00 0.34 O ATOM 1157 CB MET A 80 2.558 11.031 7.111 1.00 0.39 C ATOM 1158 CG MET A 80 2.741 10.591 8.556 1.00 0.46 C ATOM 1159 SD MET A 80 4.360 9.856 8.860 1.00 0.52 S ATOM 1160 CE MET A 80 4.282 8.412 7.804 1.00 0.48 C ATOM 0 H MET A 80 0.258 9.801 6.614 1.00 0.32 H new ATOM 0 HA MET A 80 1.049 12.505 7.511 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.690 10.168 6.458 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.340 11.746 6.856 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.608 11.451 9.213 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.965 9.870 8.813 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.723 7.559 8.320 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.242 8.192 7.564 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.834 8.604 6.884 1.00 0.48 H new ATOM 1170 N ALA A 81 1.990 13.155 5.097 1.00 0.29 N ATOM 1171 CA ALA A 81 2.040 13.736 3.761 1.00 0.31 C ATOM 1172 C ALA A 81 2.601 12.741 2.750 1.00 0.26 C ATOM 1173 O ALA A 81 3.171 11.716 3.124 1.00 0.23 O ATOM 1174 CB ALA A 81 2.871 15.010 3.769 1.00 0.39 C ATOM 0 H ALA A 81 2.652 13.561 5.759 1.00 0.29 H new ATOM 0 HA ALA A 81 1.022 13.983 3.461 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.899 15.432 2.765 1.00 0.39 H new ATOM 0 HB2 ALA A 81 2.425 15.731 4.454 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.886 14.781 4.095 1.00 0.39 H new ATOM 1180 N GLN A 82 2.434 13.049 1.469 1.00 0.33 N ATOM 1181 CA GLN A 82 2.922 12.179 0.406 1.00 0.35 C ATOM 1182 C GLN A 82 4.430 11.978 0.515 1.00 0.31 C ATOM 1183 O GLN A 82 4.908 10.848 0.642 1.00 0.31 O ATOM 1184 CB GLN A 82 2.575 12.767 -0.962 1.00 0.42 C ATOM 1185 CG GLN A 82 2.965 11.872 -2.128 1.00 0.51 C ATOM 1186 CD GLN A 82 2.029 10.691 -2.299 1.00 0.76 C ATOM 1187 OE1 GLN A 82 1.454 10.192 -1.331 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.870 10.237 -3.537 1.00 0.74 N ATOM 0 H GLN A 82 1.965 13.894 1.142 1.00 0.33 H new ATOM 0 HA GLN A 82 2.435 11.210 0.513 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.503 12.958 -1.004 1.00 0.42 H new ATOM 0 HB3 GLN A 82 3.074 13.730 -1.071 1.00 0.42 H new ATOM 0 HG2 GLN A 82 2.972 12.460 -3.046 1.00 0.51 H new ATOM 0 HG3 GLN A 82 3.981 11.506 -1.976 1.00 0.51 H new ATOM 0 HE21 GLN A 82 2.366 10.680 -4.310 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.252 9.445 -3.714 1.00 0.74 H new ATOM 1197 N SER A 83 5.171 13.082 0.468 1.00 0.32 N ATOM 1198 CA SER A 83 6.628 13.039 0.556 1.00 0.35 C ATOM 1199 C SER A 83 7.086 12.237 1.769 1.00 0.30 C ATOM 1200 O SER A 83 8.057 11.483 1.693 1.00 0.35 O ATOM 1201 CB SER A 83 7.196 14.458 0.630 1.00 0.44 C ATOM 1202 OG SER A 83 8.611 14.437 0.699 1.00 1.48 O ATOM 0 H SER A 83 4.785 14.021 0.369 1.00 0.32 H new ATOM 0 HA SER A 83 7.001 12.546 -0.341 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.880 15.026 -0.245 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.794 14.969 1.504 1.00 0.44 H new ATOM 0 HG SER A 83 8.950 15.355 0.744 1.00 1.48 H new ATOM 1208 N ASP A 84 6.384 12.403 2.885 1.00 0.24 N ATOM 1209 CA ASP A 84 6.724 11.694 4.114 1.00 0.24 C ATOM 1210 C ASP A 84 6.716 10.186 3.890 1.00 0.20 C ATOM 1211 O ASP A 84 7.624 9.478 4.330 1.00 0.24 O ATOM 1212 CB ASP A 84 5.748 12.068 5.230 1.00 0.27 C ATOM 1213 CG ASP A 84 5.955 13.486 5.725 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.841 14.422 4.907 1.00 0.97 O ATOM 1215 OD2 ASP A 84 6.234 13.659 6.930 1.00 2.12 O ATOM 0 H ASP A 84 5.577 13.022 2.964 1.00 0.24 H new ATOM 0 HA ASP A 84 7.730 11.991 4.412 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.726 11.958 4.868 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.868 11.374 6.062 1.00 0.27 H new ATOM 1220 N VAL A 85 5.685 9.699 3.205 1.00 0.19 N ATOM 1221 CA VAL A 85 5.566 8.275 2.918 1.00 0.22 C ATOM 1222 C VAL A 85 6.741 7.789 2.077 1.00 0.21 C ATOM 1223 O VAL A 85 7.246 6.684 2.279 1.00 0.24 O ATOM 1224 CB VAL A 85 4.252 7.953 2.179 1.00 0.27 C ATOM 1225 CG1 VAL A 85 4.127 6.456 1.934 1.00 0.32 C ATOM 1226 CG2 VAL A 85 3.057 8.472 2.963 1.00 0.30 C ATOM 0 H VAL A 85 4.922 10.269 2.840 1.00 0.19 H new ATOM 0 HA VAL A 85 5.566 7.758 3.878 1.00 0.22 H new ATOM 0 HB VAL A 85 4.270 8.455 1.212 1.00 0.27 H new ATOM 0 HG11 VAL A 85 3.193 6.250 1.411 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.966 6.115 1.327 1.00 0.32 H new ATOM 0 HG13 VAL A 85 4.133 5.929 2.888 1.00 0.32 H new ATOM 0 HG21 VAL A 85 2.139 8.235 2.426 1.00 0.30 H new ATOM 0 HG22 VAL A 85 3.034 8.001 3.946 1.00 0.30 H new ATOM 0 HG23 VAL A 85 3.140 9.552 3.081 1.00 0.30 H new ATOM 1236 N VAL A 86 7.173 8.622 1.135 1.00 0.22 N ATOM 1237 CA VAL A 86 8.290 8.274 0.265 1.00 0.25 C ATOM 1238 C VAL A 86 9.576 8.116 1.065 1.00 0.24 C ATOM 1239 O VAL A 86 10.377 7.219 0.799 1.00 0.26 O ATOM 1240 CB VAL A 86 8.507 9.335 -0.831 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.516 8.843 -1.858 1.00 0.37 C ATOM 1242 CG2 VAL A 86 7.188 9.693 -1.500 1.00 0.34 C ATOM 0 H VAL A 86 6.767 9.540 0.955 1.00 0.22 H new ATOM 0 HA VAL A 86 8.037 7.325 -0.208 1.00 0.25 H new ATOM 0 HB VAL A 86 8.906 10.235 -0.364 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.656 9.605 -2.624 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.468 8.643 -1.366 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.147 7.927 -2.321 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.363 10.444 -2.271 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.756 8.801 -1.954 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.499 10.091 -0.755 1.00 0.34 H new ATOM 1252 N GLU A 87 9.770 8.992 2.048 1.00 0.25 N ATOM 1253 CA GLU A 87 10.962 8.945 2.887 1.00 0.26 C ATOM 1254 C GLU A 87 11.074 7.598 3.591 1.00 0.24 C ATOM 1255 O GLU A 87 12.111 6.941 3.525 1.00 0.26 O ATOM 1256 CB GLU A 87 10.938 10.074 3.920 1.00 0.32 C ATOM 1257 CG GLU A 87 11.077 11.459 3.309 1.00 0.75 C ATOM 1258 CD GLU A 87 11.042 12.561 4.349 1.00 1.04 C ATOM 1259 OE1 GLU A 87 9.930 12.992 4.721 1.00 1.51 O ATOM 1260 OE2 GLU A 87 12.126 12.993 4.793 1.00 1.19 O ATOM 0 H GLU A 87 9.118 9.741 2.282 1.00 0.25 H new ATOM 0 HA GLU A 87 11.832 9.076 2.244 1.00 0.26 H new ATOM 0 HB2 GLU A 87 10.003 10.024 4.479 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.746 9.918 4.635 1.00 0.32 H new ATOM 0 HG2 GLU A 87 12.015 11.516 2.756 1.00 0.75 H new ATOM 0 HG3 GLU A 87 10.273 11.617 2.590 1.00 0.75 H new ATOM 1267 N VAL A 88 9.999 7.193 4.260 1.00 0.22 N ATOM 1268 CA VAL A 88 9.973 5.922 4.978 1.00 0.22 C ATOM 1269 C VAL A 88 10.386 4.764 4.076 1.00 0.23 C ATOM 1270 O VAL A 88 11.289 3.993 4.408 1.00 0.25 O ATOM 1271 CB VAL A 88 8.572 5.630 5.548 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.502 4.215 6.104 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.209 6.651 6.616 1.00 0.27 C ATOM 0 H VAL A 88 9.132 7.727 4.320 1.00 0.22 H new ATOM 0 HA VAL A 88 10.686 6.012 5.797 1.00 0.22 H new ATOM 0 HB VAL A 88 7.847 5.710 4.738 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.504 4.029 6.502 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.714 3.501 5.309 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.237 4.100 6.901 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.216 6.430 7.008 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.937 6.605 7.426 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.213 7.650 6.180 1.00 0.27 H new ATOM 1283 N LEU A 89 9.717 4.646 2.936 1.00 0.24 N ATOM 1284 CA LEU A 89 9.999 3.576 1.991 1.00 0.28 C ATOM 1285 C LEU A 89 11.455 3.610 1.530 1.00 0.32 C ATOM 1286 O LEU A 89 12.042 2.571 1.227 1.00 0.39 O ATOM 1287 CB LEU A 89 9.067 3.677 0.781 1.00 0.32 C ATOM 1288 CG LEU A 89 7.571 3.639 1.106 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.745 3.852 -0.154 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.198 2.320 1.769 1.00 0.35 C ATOM 0 H LEU A 89 8.974 5.281 2.644 1.00 0.24 H new ATOM 0 HA LEU A 89 9.826 2.628 2.501 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.284 4.605 0.252 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.295 2.859 0.097 1.00 0.32 H new ATOM 0 HG LEU A 89 7.353 4.448 1.803 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.685 3.822 0.097 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.988 4.822 -0.589 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.970 3.065 -0.874 1.00 0.41 H new ATOM 0 HD21 LEU A 89 6.131 2.314 1.992 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.433 1.495 1.096 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.762 2.206 2.694 1.00 0.35 H new ATOM 1302 N ARG A 90 12.032 4.807 1.480 1.00 0.31 N ATOM 1303 CA ARG A 90 13.419 4.967 1.051 1.00 0.37 C ATOM 1304 C ARG A 90 14.383 4.772 2.218 1.00 0.37 C ATOM 1305 O ARG A 90 15.589 4.618 2.019 1.00 0.48 O ATOM 1306 CB ARG A 90 13.627 6.349 0.424 1.00 0.41 C ATOM 1307 CG ARG A 90 12.892 6.534 -0.895 1.00 0.49 C ATOM 1308 CD ARG A 90 13.134 7.917 -1.481 1.00 0.72 C ATOM 1309 NE ARG A 90 12.672 8.980 -0.592 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.509 10.244 -0.974 1.00 1.59 C ATOM 1311 NH1 ARG A 90 12.763 10.601 -2.227 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.088 11.152 -0.104 1.00 2.10 N ATOM 0 H ARG A 90 11.563 5.678 1.730 1.00 0.31 H new ATOM 0 HA ARG A 90 13.629 4.202 0.304 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.293 7.112 1.127 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.693 6.509 0.262 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.220 5.775 -1.605 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.823 6.385 -0.741 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.199 8.046 -1.677 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.622 7.999 -2.440 1.00 0.72 H new ATOM 0 HE ARG A 90 12.462 8.740 0.377 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.084 9.905 -2.900 1.00 1.82 H new ATOM 0 HH12 ARG A 90 12.637 11.571 -2.516 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.889 10.882 0.859 1.00 2.10 H new ATOM 0 HH22 ARG A 90 11.963 12.121 -0.398 1.00 2.10 H new ATOM 1326 N ASN A 91 13.847 4.777 3.435 1.00 0.32 N ATOM 1327 CA ASN A 91 14.664 4.600 4.632 1.00 0.36 C ATOM 1328 C ASN A 91 14.700 3.135 5.055 1.00 0.36 C ATOM 1329 O ASN A 91 15.522 2.741 5.883 1.00 0.42 O ATOM 1330 CB ASN A 91 14.126 5.458 5.779 1.00 0.38 C ATOM 1331 CG ASN A 91 14.169 6.944 5.472 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.150 7.362 4.680 1.00 1.11 O flip ATOM 1333 ND2 ASN A 91 13.326 7.709 5.942 1.00 1.14 N flip ATOM 0 H ASN A 91 12.851 4.902 3.619 1.00 0.32 H new ATOM 0 HA ASN A 91 15.679 4.919 4.395 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.098 5.166 5.994 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.709 5.260 6.679 1.00 0.38 H new ATOM 0 HD21 ASN A 91 12.589 7.346 6.546 1.00 1.14 H new ATOM 0 HD22 ASN A 91 13.365 8.705 5.727 1.00 1.14 H new ATOM 1340 N ALA A 92 13.801 2.337 4.486 1.00 0.32 N ATOM 1341 CA ALA A 92 13.728 0.914 4.802 1.00 0.34 C ATOM 1342 C ALA A 92 15.090 0.237 4.648 1.00 0.46 C ATOM 1343 O ALA A 92 15.822 0.071 5.626 1.00 0.55 O ATOM 1344 CB ALA A 92 12.694 0.233 3.918 1.00 0.32 C ATOM 0 H ALA A 92 13.112 2.652 3.803 1.00 0.32 H new ATOM 0 HA ALA A 92 13.425 0.816 5.844 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.648 -0.828 4.163 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.717 0.686 4.085 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.975 0.352 2.872 1.00 0.32 H new ATOM 1350 N GLY A 93 15.424 -0.153 3.422 1.00 0.53 N ATOM 1351 CA GLY A 93 16.697 -0.811 3.174 1.00 0.68 C ATOM 1352 C GLY A 93 16.807 -2.146 3.887 1.00 0.66 C ATOM 1353 O GLY A 93 17.894 -2.717 3.991 1.00 0.76 O ATOM 0 H GLY A 93 14.838 -0.026 2.596 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.821 -0.964 2.102 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.509 -0.160 3.500 1.00 0.68 H new ATOM 1357 N ASN A 94 15.679 -2.641 4.385 1.00 0.54 N ATOM 1358 CA ASN A 94 15.645 -3.913 5.099 1.00 0.54 C ATOM 1359 C ASN A 94 14.318 -4.640 4.854 1.00 0.43 C ATOM 1360 O ASN A 94 13.404 -4.075 4.252 1.00 0.39 O ATOM 1361 CB ASN A 94 15.856 -3.666 6.598 1.00 0.59 C ATOM 1362 CG ASN A 94 15.060 -2.483 7.122 1.00 1.57 C ATOM 1363 OD1 ASN A 94 13.906 -2.223 6.520 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 15.480 -1.810 8.063 1.00 2.52 N flip ATOM 0 H ASN A 94 14.773 -2.179 4.307 1.00 0.54 H new ATOM 0 HA ASN A 94 16.448 -4.549 4.725 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.573 -4.561 7.152 1.00 0.59 H new ATOM 0 HB3 ASN A 94 16.916 -3.496 6.787 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.372 -2.043 8.498 1.00 2.52 H new ATOM 0 HD22 ASN A 94 14.936 -1.019 8.407 1.00 2.52 H new ATOM 1371 N PRO A 95 14.203 -5.918 5.281 1.00 0.41 N ATOM 1372 CA PRO A 95 12.962 -6.688 5.124 1.00 0.35 C ATOM 1373 C PRO A 95 11.797 -6.033 5.856 1.00 0.32 C ATOM 1374 O PRO A 95 11.720 -6.081 7.085 1.00 0.45 O ATOM 1375 CB PRO A 95 13.291 -8.047 5.750 1.00 0.44 C ATOM 1376 CG PRO A 95 14.778 -8.130 5.734 1.00 0.64 C ATOM 1377 CD PRO A 95 15.268 -6.722 5.909 1.00 0.51 C ATOM 0 HA PRO A 95 12.653 -6.758 4.081 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.903 -8.118 6.766 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.844 -8.862 5.181 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.142 -8.773 6.535 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.136 -8.555 4.796 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.398 -6.468 6.961 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.231 -6.567 5.422 1.00 0.51 H new ATOM 1385 N VAL A 96 10.891 -5.425 5.098 1.00 0.28 N ATOM 1386 CA VAL A 96 9.736 -4.751 5.680 1.00 0.33 C ATOM 1387 C VAL A 96 8.430 -5.440 5.299 1.00 0.28 C ATOM 1388 O VAL A 96 8.343 -6.106 4.267 1.00 0.30 O ATOM 1389 CB VAL A 96 9.665 -3.278 5.234 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.884 -2.512 5.724 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.541 -3.180 3.721 1.00 0.38 C ATOM 0 H VAL A 96 10.934 -5.385 4.080 1.00 0.28 H new ATOM 0 HA VAL A 96 9.863 -4.800 6.761 1.00 0.33 H new ATOM 0 HB VAL A 96 8.777 -2.828 5.678 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.816 -1.474 5.399 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.924 -2.550 6.813 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.787 -2.963 5.312 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.492 -2.132 3.427 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.408 -3.648 3.254 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.634 -3.690 3.396 1.00 0.38 H new ATOM 1401 N ARG A 97 7.419 -5.272 6.144 1.00 0.24 N ATOM 1402 CA ARG A 97 6.110 -5.857 5.904 1.00 0.22 C ATOM 1403 C ARG A 97 5.155 -4.794 5.376 1.00 0.18 C ATOM 1404 O ARG A 97 5.201 -3.640 5.807 1.00 0.18 O ATOM 1405 CB ARG A 97 5.556 -6.474 7.190 1.00 0.27 C ATOM 1406 CG ARG A 97 4.193 -7.126 7.018 1.00 0.69 C ATOM 1407 CD ARG A 97 3.701 -7.740 8.319 1.00 0.71 C ATOM 1408 NE ARG A 97 2.369 -8.325 8.178 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.588 -8.638 9.208 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.001 -8.423 10.449 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.391 -9.168 8.995 1.00 2.37 N ATOM 0 H ARG A 97 7.485 -4.731 7.006 1.00 0.24 H new ATOM 0 HA ARG A 97 6.210 -6.646 5.158 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.261 -7.219 7.558 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.484 -5.699 7.953 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.475 -6.384 6.670 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.252 -7.897 6.250 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.402 -8.508 8.645 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.681 -6.976 9.096 1.00 0.71 H new ATOM 0 HE ARG A 97 2.019 -8.503 7.237 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.921 -8.016 10.617 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.399 -8.665 11.236 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.070 -9.335 8.042 1.00 2.37 H new ATOM 0 HH22 ARG A 97 -0.208 -9.408 9.785 1.00 2.37 H new ATOM 1425 N LEU A 98 4.296 -5.183 4.442 1.00 0.19 N ATOM 1426 CA LEU A 98 3.345 -4.252 3.851 1.00 0.18 C ATOM 1427 C LEU A 98 1.908 -4.661 4.156 1.00 0.18 C ATOM 1428 O LEU A 98 1.411 -5.656 3.626 1.00 0.30 O ATOM 1429 CB LEU A 98 3.551 -4.182 2.337 1.00 0.23 C ATOM 1430 CG LEU A 98 5.008 -4.063 1.878 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.087 -4.073 0.359 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.649 -2.801 2.434 1.00 0.37 C ATOM 0 H LEU A 98 4.239 -6.134 4.079 1.00 0.19 H new ATOM 0 HA LEU A 98 3.521 -3.269 4.289 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.117 -5.075 1.887 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.995 -3.328 1.951 1.00 0.23 H new ATOM 0 HG LEU A 98 5.558 -4.922 2.262 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.128 -3.988 0.048 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.670 -5.006 -0.021 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.519 -3.233 -0.040 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.683 -2.738 2.095 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.098 -1.928 2.083 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.626 -2.831 3.523 1.00 0.37 H new ATOM 1444 N LEU A 99 1.246 -3.891 5.013 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.140 -4.170 5.376 1.00 0.19 C ATOM 1446 C LEU A 99 -1.090 -3.335 4.526 1.00 0.19 C ATOM 1447 O LEU A 99 -1.262 -2.138 4.761 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.379 -3.885 6.861 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.784 -4.223 7.365 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -2.047 -5.718 7.259 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.966 -3.747 8.798 1.00 0.36 C ATOM 0 H LEU A 99 1.645 -3.070 5.469 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.334 -5.226 5.189 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.347 -4.451 7.446 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.186 -2.829 7.049 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.508 -3.704 6.737 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -3.051 -5.937 7.622 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.962 -6.030 6.218 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.317 -6.259 7.861 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.971 -3.996 9.139 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.233 -4.236 9.440 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.825 -2.667 8.843 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.707 -3.973 3.537 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.634 -3.288 2.644 1.00 0.23 C ATOM 1465 C LEU A 100 -3.952 -4.045 2.523 1.00 0.24 C ATOM 1466 O LEU A 100 -4.005 -5.259 2.716 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.000 -3.117 1.259 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.017 -4.219 0.844 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.713 -5.568 0.762 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.368 -3.877 -0.488 1.00 0.31 C ATOM 0 H LEU A 100 -1.582 -4.965 3.334 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.846 -2.307 3.069 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.797 -3.067 0.517 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.479 -2.160 1.232 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.240 -4.284 1.606 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.993 -6.331 0.466 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.131 -5.822 1.736 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.515 -5.520 0.025 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.327 -4.669 -0.768 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.138 -3.782 -1.254 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.173 -2.935 -0.398 1.00 0.31 H new ATOM 1482 N ILE A 101 -5.018 -3.318 2.208 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.333 -3.923 2.050 1.00 0.29 C ATOM 1484 C ILE A 101 -6.719 -4.002 0.575 1.00 0.32 C ATOM 1485 O ILE A 101 -6.510 -3.054 -0.191 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.418 -3.143 2.825 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.793 -3.784 2.611 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.431 -1.682 2.398 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.889 -3.178 3.464 1.00 0.45 C ATOM 0 H ILE A 101 -4.996 -2.309 2.057 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.273 -4.930 2.463 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.183 -3.185 3.889 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.068 -3.689 1.561 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.724 -4.850 2.827 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.201 -1.147 2.954 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.459 -1.234 2.603 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.643 -1.617 1.331 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.832 -3.683 3.257 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.637 -3.297 4.518 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.987 -2.118 3.231 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.276 -5.145 0.184 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.697 -5.362 -1.194 1.00 0.46 C ATOM 1503 C ARG A 102 -9.204 -5.569 -1.263 1.00 0.60 C ATOM 1504 O ARG A 102 -9.801 -6.143 -0.352 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.977 -6.575 -1.787 1.00 0.70 C ATOM 1506 CG ARG A 102 -5.471 -6.402 -1.890 1.00 1.27 C ATOM 1507 CD ARG A 102 -5.100 -5.379 -2.951 1.00 1.35 C ATOM 1508 NE ARG A 102 -5.679 -5.708 -4.251 1.00 1.49 N ATOM 1509 CZ ARG A 102 -4.969 -6.143 -5.287 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -3.657 -6.303 -5.177 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -5.572 -6.418 -6.436 1.00 2.20 N ATOM 0 H ARG A 102 -7.446 -5.936 0.805 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.436 -4.478 -1.776 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -7.192 -7.450 -1.173 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.379 -6.776 -2.780 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.073 -6.088 -0.925 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -5.009 -7.360 -2.129 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -5.443 -4.392 -2.640 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -4.015 -5.325 -3.040 1.00 1.35 H new ATOM 0 HE ARG A 102 -6.686 -5.598 -4.371 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -3.190 -6.092 -4.295 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -3.115 -6.637 -5.974 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -6.581 -6.296 -6.525 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -5.027 -6.752 -7.231 1.00 2.20 H new