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 68 LYS NZ :NH3+ -176:sc=-0.00281 (180deg=-0.0269) USER MOD Set 1.2: A 78 GLN : amide:sc= -1.26 K(o=-1.3,f=-5!) USER MOD Set 2.1: A 30 SER OG : rot -147:sc= 0.0267 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= -0.164 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= -0.311 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 180:sc= 0 USER MOD Single : A 26 SER OG : rot 73:sc= 0.0619 USER MOD Single : A 32 SER OG : rot -150:sc= -0.0185 USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 120:sc= -0.828 USER MOD Single : A 66 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.019) USER MOD Single : A 76 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.069) USER MOD Single : A 80 MET CE :methyl -131:sc= -1.98 (180deg=-3.86) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.375 K(o=-0.38,f=-1.1) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.302 F(o=-2.6!,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -11.220 -7.150 1.809 1.00 0.55 N ATOM 139 CA SER A 12 -10.452 -8.223 2.430 1.00 0.45 C ATOM 140 C SER A 12 -9.062 -7.734 2.828 1.00 0.39 C ATOM 141 O SER A 12 -8.492 -6.855 2.178 1.00 0.38 O ATOM 142 CB SER A 12 -10.336 -9.411 1.474 1.00 0.51 C ATOM 143 OG SER A 12 -9.601 -10.471 2.063 1.00 0.90 O ATOM 0 HA SER A 12 -10.976 -8.541 3.331 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.332 -9.762 1.203 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.848 -9.094 0.553 1.00 0.51 H new ATOM 0 HG SER A 12 -9.543 -11.219 1.432 1.00 0.90 H new ATOM 149 N LEU A 13 -8.521 -8.308 3.898 1.00 0.41 N ATOM 150 CA LEU A 13 -7.199 -7.930 4.385 1.00 0.40 C ATOM 151 C LEU A 13 -6.102 -8.688 3.647 1.00 0.45 C ATOM 152 O LEU A 13 -6.114 -9.918 3.585 1.00 0.68 O ATOM 153 CB LEU A 13 -7.092 -8.192 5.891 1.00 0.56 C ATOM 154 CG LEU A 13 -7.562 -7.047 6.790 1.00 0.63 C ATOM 155 CD1 LEU A 13 -6.708 -5.807 6.576 1.00 0.89 C ATOM 156 CD2 LEU A 13 -9.028 -6.742 6.530 1.00 0.79 C ATOM 0 H LEU A 13 -8.978 -9.037 4.445 1.00 0.41 H new ATOM 0 HA LEU A 13 -7.065 -6.865 4.196 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -7.674 -9.082 6.130 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -6.053 -8.417 6.131 1.00 0.56 H new ATOM 0 HG LEU A 13 -7.451 -7.356 7.829 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -7.061 -5.006 7.226 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -5.669 -6.036 6.813 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.782 -5.490 5.536 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -9.350 -5.925 7.176 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -9.160 -6.453 5.487 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -9.627 -7.628 6.740 1.00 0.79 H new ATOM 168 N TYR A 14 -5.154 -7.941 3.090 1.00 0.36 N ATOM 169 CA TYR A 14 -4.039 -8.532 2.357 1.00 0.50 C ATOM 170 C TYR A 14 -2.709 -8.129 2.987 1.00 0.31 C ATOM 171 O TYR A 14 -2.504 -6.966 3.341 1.00 0.37 O ATOM 172 CB TYR A 14 -4.077 -8.100 0.889 1.00 0.80 C ATOM 173 CG TYR A 14 -5.211 -8.719 0.102 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.459 -8.108 0.042 1.00 0.71 C ATOM 175 CD2 TYR A 14 -5.033 -9.915 -0.582 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.494 -8.672 -0.680 1.00 1.34 C ATOM 177 CE2 TYR A 14 -6.063 -10.485 -1.306 1.00 1.90 C ATOM 178 CZ TYR A 14 -7.292 -9.860 -1.350 1.00 1.98 C ATOM 179 OH TYR A 14 -8.320 -10.426 -2.071 1.00 2.73 O ATOM 0 H TYR A 14 -5.136 -6.922 3.132 1.00 0.36 H new ATOM 0 HA TYR A 14 -4.133 -9.617 2.407 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.163 -7.014 0.841 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.131 -8.366 0.417 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.622 -7.179 0.568 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -4.073 -10.408 -0.547 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.457 -8.184 -0.719 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -5.907 -11.414 -1.834 1.00 1.90 H new ATOM 0 HH TYR A 14 -8.010 -11.260 -2.483 1.00 2.73 H new ATOM 189 N SER A 15 -1.807 -9.095 3.126 1.00 0.43 N ATOM 190 CA SER A 15 -0.500 -8.834 3.719 1.00 0.38 C ATOM 191 C SER A 15 0.610 -9.522 2.932 1.00 0.33 C ATOM 192 O SER A 15 0.551 -10.726 2.676 1.00 0.41 O ATOM 193 CB SER A 15 -0.476 -9.305 5.174 1.00 0.59 C ATOM 194 OG SER A 15 -1.467 -8.645 5.942 1.00 1.19 O ATOM 0 H SER A 15 -1.956 -10.062 2.837 1.00 0.43 H new ATOM 0 HA SER A 15 -0.325 -7.759 3.686 1.00 0.38 H new ATOM 0 HB2 SER A 15 -0.639 -10.382 5.213 1.00 0.59 H new ATOM 0 HB3 SER A 15 0.507 -9.116 5.604 1.00 0.59 H new ATOM 0 HG SER A 15 -1.431 -8.966 6.867 1.00 1.19 H new ATOM 200 N VAL A 16 1.621 -8.747 2.552 1.00 0.32 N ATOM 201 CA VAL A 16 2.753 -9.273 1.797 1.00 0.33 C ATOM 202 C VAL A 16 4.070 -8.855 2.443 1.00 0.31 C ATOM 203 O VAL A 16 4.177 -7.762 3.000 1.00 0.44 O ATOM 204 CB VAL A 16 2.728 -8.790 0.335 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.822 -9.469 -0.475 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.363 -9.042 -0.287 1.00 0.56 C ATOM 0 H VAL A 16 1.679 -7.749 2.755 1.00 0.32 H new ATOM 0 HA VAL A 16 2.671 -10.360 1.807 1.00 0.33 H new ATOM 0 HB VAL A 16 2.916 -7.716 0.326 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.786 -9.113 -1.505 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.794 -9.233 -0.043 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.670 -10.548 -0.458 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.364 -8.694 -1.320 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.144 -10.110 -0.264 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.601 -8.503 0.276 1.00 0.56 H new ATOM 216 N GLU A 17 5.071 -9.726 2.364 1.00 0.33 N ATOM 217 CA GLU A 17 6.375 -9.443 2.951 1.00 0.34 C ATOM 218 C GLU A 17 7.418 -9.158 1.874 1.00 0.32 C ATOM 219 O GLU A 17 7.726 -10.017 1.048 1.00 0.38 O ATOM 220 CB GLU A 17 6.828 -10.617 3.820 1.00 0.45 C ATOM 221 CG GLU A 17 5.885 -10.915 4.975 1.00 0.71 C ATOM 222 CD GLU A 17 6.374 -12.054 5.848 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.043 -13.219 5.545 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.088 -11.779 6.836 1.00 1.74 O ATOM 0 H GLU A 17 5.004 -10.632 1.900 1.00 0.33 H new ATOM 0 HA GLU A 17 6.277 -8.552 3.572 1.00 0.34 H new ATOM 0 HB2 GLU A 17 6.919 -11.507 3.197 1.00 0.45 H new ATOM 0 HB3 GLU A 17 7.820 -10.403 4.217 1.00 0.45 H new ATOM 0 HG2 GLU A 17 5.769 -10.019 5.585 1.00 0.71 H new ATOM 0 HG3 GLU A 17 4.900 -11.162 4.580 1.00 0.71 H new ATOM 231 N LEU A 18 7.956 -7.942 1.895 1.00 0.31 N ATOM 232 CA LEU A 18 8.971 -7.531 0.931 1.00 0.34 C ATOM 233 C LEU A 18 10.324 -7.353 1.613 1.00 0.38 C ATOM 234 O LEU A 18 10.407 -7.314 2.840 1.00 0.68 O ATOM 235 CB LEU A 18 8.559 -6.226 0.242 1.00 0.40 C ATOM 236 CG LEU A 18 7.748 -6.392 -1.047 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.595 -7.046 -2.129 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.488 -7.205 -0.790 1.00 0.71 C ATOM 0 H LEU A 18 7.704 -7.222 2.572 1.00 0.31 H new ATOM 0 HA LEU A 18 9.060 -8.315 0.179 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.975 -5.632 0.945 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.459 -5.655 0.014 1.00 0.40 H new ATOM 0 HG LEU A 18 7.450 -5.402 -1.393 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.003 -7.156 -3.038 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.465 -6.423 -2.336 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.924 -8.028 -1.789 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.927 -7.310 -1.719 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.762 -8.192 -0.417 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.871 -6.696 -0.050 1.00 0.71 H new ATOM 250 N PHE A 19 11.380 -7.254 0.813 1.00 0.41 N ATOM 251 CA PHE A 19 12.725 -7.082 1.348 1.00 0.43 C ATOM 252 C PHE A 19 13.622 -6.356 0.353 1.00 0.49 C ATOM 253 O PHE A 19 13.655 -6.696 -0.829 1.00 0.59 O ATOM 254 CB PHE A 19 13.334 -8.440 1.710 1.00 0.48 C ATOM 255 CG PHE A 19 13.304 -9.439 0.587 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.161 -10.180 0.329 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.418 -9.633 -0.214 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.132 -11.096 -0.705 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.394 -10.548 -1.249 1.00 2.08 C ATOM 260 CZ PHE A 19 13.249 -11.295 -1.482 1.00 1.94 C ATOM 0 H PHE A 19 11.331 -7.290 -0.205 1.00 0.41 H new ATOM 0 HA PHE A 19 12.652 -6.474 2.250 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.367 -8.292 2.024 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.797 -8.852 2.564 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.284 -10.040 0.943 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.316 -9.062 -0.027 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.231 -11.657 -0.903 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.264 -10.681 -1.875 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.235 -12.031 -2.272 1.00 1.94 H new ATOM 270 N ARG A 20 14.346 -5.348 0.838 1.00 0.52 N ATOM 271 CA ARG A 20 15.246 -4.581 -0.017 1.00 0.66 C ATOM 272 C ARG A 20 16.672 -4.632 0.521 1.00 0.68 C ATOM 273 O ARG A 20 16.887 -4.872 1.709 1.00 0.83 O ATOM 274 CB ARG A 20 14.767 -3.131 -0.133 1.00 0.73 C ATOM 275 CG ARG A 20 15.598 -2.288 -1.089 1.00 0.99 C ATOM 276 CD ARG A 20 14.911 -0.973 -1.420 1.00 1.19 C ATOM 277 NE ARG A 20 14.575 -0.213 -0.221 1.00 1.60 N ATOM 278 CZ ARG A 20 14.479 1.112 -0.191 1.00 2.26 C ATOM 279 NH1 ARG A 20 14.671 1.821 -1.294 1.00 2.52 N ATOM 280 NH2 ARG A 20 14.185 1.731 0.943 1.00 3.06 N ATOM 0 H ARG A 20 14.326 -5.046 1.812 1.00 0.52 H new ATOM 0 HA ARG A 20 15.240 -5.028 -1.011 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.729 -3.126 -0.466 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.787 -2.671 0.855 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.573 -2.088 -0.644 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.775 -2.847 -2.008 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.562 -0.375 -2.057 1.00 1.19 H new ATOM 0 HD3 ARG A 20 14.003 -1.172 -1.989 1.00 1.19 H new ATOM 0 HE ARG A 20 14.404 -0.728 0.643 1.00 1.60 H new ATOM 0 HH11 ARG A 20 14.893 1.350 -2.171 1.00 2.52 H new ATOM 0 HH12 ARG A 20 14.596 2.838 -1.266 1.00 2.52 H new ATOM 0 HH21 ARG A 20 14.032 1.190 1.794 1.00 3.06 H new ATOM 0 HH22 ARG A 20 14.112 2.748 0.965 1.00 3.06 H new ATOM 294 N GLU A 21 17.643 -4.419 -0.362 1.00 0.82 N ATOM 295 CA GLU A 21 19.050 -4.444 0.026 1.00 0.93 C ATOM 296 C GLU A 21 19.934 -3.917 -1.102 1.00 1.16 C ATOM 297 O GLU A 21 21.107 -4.277 -1.204 1.00 1.57 O ATOM 298 CB GLU A 21 19.473 -5.866 0.402 1.00 1.09 C ATOM 299 CG GLU A 21 19.270 -6.877 -0.715 1.00 1.62 C ATOM 300 CD GLU A 21 19.639 -8.287 -0.299 1.00 2.00 C ATOM 301 OE1 GLU A 21 20.815 -8.669 -0.477 1.00 2.21 O ATOM 302 OE2 GLU A 21 18.753 -9.010 0.203 1.00 2.58 O ATOM 0 H GLU A 21 17.482 -4.227 -1.351 1.00 0.82 H new ATOM 0 HA GLU A 21 19.174 -3.796 0.894 1.00 0.93 H new ATOM 0 HB2 GLU A 21 20.525 -5.860 0.688 1.00 1.09 H new ATOM 0 HB3 GLU A 21 18.907 -6.185 1.277 1.00 1.09 H new ATOM 0 HG2 GLU A 21 18.228 -6.857 -1.033 1.00 1.62 H new ATOM 0 HG3 GLU A 21 19.872 -6.587 -1.576 1.00 1.62 H new ATOM 309 N LYS A 22 19.362 -3.062 -1.945 1.00 1.11 N ATOM 310 CA LYS A 22 20.096 -2.484 -3.066 1.00 1.40 C ATOM 311 C LYS A 22 20.209 -0.970 -2.920 1.00 1.31 C ATOM 312 O LYS A 22 19.494 -0.357 -2.127 1.00 1.38 O ATOM 313 CB LYS A 22 19.408 -2.829 -4.388 1.00 1.65 C ATOM 314 CG LYS A 22 19.349 -4.321 -4.678 1.00 2.00 C ATOM 315 CD LYS A 22 20.737 -4.915 -4.877 1.00 2.54 C ATOM 316 CE LYS A 22 21.391 -4.401 -6.150 1.00 3.05 C ATOM 317 NZ LYS A 22 22.740 -4.998 -6.361 1.00 3.72 N ATOM 0 H LYS A 22 18.392 -2.754 -1.873 1.00 1.11 H new ATOM 0 HA LYS A 22 21.100 -2.908 -3.066 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.393 -2.431 -4.374 1.00 1.65 H new ATOM 0 HB3 LYS A 22 19.935 -2.331 -5.202 1.00 1.65 H new ATOM 0 HG2 LYS A 22 18.850 -4.832 -3.854 1.00 2.00 H new ATOM 0 HG3 LYS A 22 18.748 -4.494 -5.571 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.365 -4.669 -4.020 1.00 2.54 H new ATOM 0 HD3 LYS A 22 20.665 -6.002 -4.918 1.00 2.54 H new ATOM 0 HE2 LYS A 22 20.754 -4.632 -7.004 1.00 3.05 H new ATOM 0 HE3 LYS A 22 21.478 -3.316 -6.101 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 23.152 -4.622 -7.239 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 23.356 -4.757 -5.558 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 22.655 -6.032 -6.433 1.00 3.72 H new ATOM 331 N ASP A 23 21.111 -0.375 -3.696 1.00 1.46 N ATOM 332 CA ASP A 23 21.323 1.066 -3.658 1.00 1.51 C ATOM 333 C ASP A 23 20.375 1.784 -4.615 1.00 1.31 C ATOM 334 O ASP A 23 20.673 2.880 -5.091 1.00 1.58 O ATOM 335 CB ASP A 23 22.773 1.396 -4.019 1.00 1.91 C ATOM 336 CG ASP A 23 23.158 0.881 -5.392 1.00 2.29 C ATOM 337 OD1 ASP A 23 22.923 1.602 -6.384 1.00 2.87 O ATOM 338 OD2 ASP A 23 23.693 -0.245 -5.475 1.00 2.58 O ATOM 0 H ASP A 23 21.707 -0.871 -4.359 1.00 1.46 H new ATOM 0 HA ASP A 23 21.117 1.411 -2.645 1.00 1.51 H new ATOM 0 HB2 ASP A 23 22.916 2.476 -3.986 1.00 1.91 H new ATOM 0 HB3 ASP A 23 23.438 0.963 -3.272 1.00 1.91 H new ATOM 343 N THR A 24 19.232 1.162 -4.891 1.00 1.02 N ATOM 344 CA THR A 24 18.243 1.749 -5.789 1.00 0.98 C ATOM 345 C THR A 24 17.439 2.833 -5.079 1.00 1.01 C ATOM 346 O THR A 24 16.884 3.729 -5.716 1.00 1.16 O ATOM 347 CB THR A 24 17.275 0.687 -6.344 1.00 1.17 C ATOM 348 OG1 THR A 24 16.573 0.053 -5.268 1.00 1.38 O ATOM 349 CG2 THR A 24 18.025 -0.360 -7.154 1.00 1.19 C ATOM 0 H THR A 24 18.969 0.255 -4.507 1.00 1.02 H new ATOM 0 HA THR A 24 18.794 2.188 -6.620 1.00 0.98 H new ATOM 0 HB THR A 24 16.561 1.186 -6.999 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.959 -0.619 -5.630 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.320 -1.099 -7.535 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.533 0.122 -7.989 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.760 -0.854 -6.518 1.00 1.19 H new ATOM 357 N SER A 25 17.384 2.735 -3.752 1.00 1.05 N ATOM 358 CA SER A 25 16.658 3.700 -2.932 1.00 1.35 C ATOM 359 C SER A 25 15.196 3.798 -3.354 1.00 1.17 C ATOM 360 O SER A 25 14.527 4.793 -3.076 1.00 1.39 O ATOM 361 CB SER A 25 17.320 5.077 -3.024 1.00 1.79 C ATOM 362 OG SER A 25 18.657 5.034 -2.554 1.00 2.45 O ATOM 0 H SER A 25 17.837 1.992 -3.220 1.00 1.05 H new ATOM 0 HA SER A 25 16.691 3.352 -1.900 1.00 1.35 H new ATOM 0 HB2 SER A 25 17.306 5.422 -4.058 1.00 1.79 H new ATOM 0 HB3 SER A 25 16.749 5.798 -2.439 1.00 1.79 H new ATOM 0 HG SER A 25 19.058 5.926 -2.625 1.00 2.45 H new ATOM 368 N SER A 26 14.704 2.757 -4.019 1.00 0.84 N ATOM 369 CA SER A 26 13.320 2.731 -4.480 1.00 0.72 C ATOM 370 C SER A 26 12.705 1.346 -4.292 1.00 0.58 C ATOM 371 O SER A 26 13.384 0.330 -4.440 1.00 0.69 O ATOM 372 CB SER A 26 13.247 3.139 -5.952 1.00 0.81 C ATOM 373 OG SER A 26 13.775 4.440 -6.147 1.00 1.40 O ATOM 0 H SER A 26 15.242 1.922 -4.250 1.00 0.84 H new ATOM 0 HA SER A 26 12.751 3.442 -3.882 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.801 2.423 -6.559 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.211 3.109 -6.290 1.00 0.81 H new ATOM 0 HG SER A 26 14.751 4.413 -6.063 1.00 1.40 H new ATOM 379 N LEU A 27 11.416 1.317 -3.965 1.00 0.42 N ATOM 380 CA LEU A 27 10.703 0.060 -3.762 1.00 0.32 C ATOM 381 C LEU A 27 9.641 -0.142 -4.835 1.00 0.29 C ATOM 382 O LEU A 27 8.784 -1.017 -4.717 1.00 0.41 O ATOM 383 CB LEU A 27 10.054 0.028 -2.376 1.00 0.35 C ATOM 384 CG LEU A 27 11.008 -0.267 -1.217 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.316 -0.035 0.115 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.524 -1.696 -1.306 1.00 0.43 C ATOM 0 H LEU A 27 10.843 2.151 -3.835 1.00 0.42 H new ATOM 0 HA LEU A 27 11.428 -0.751 -3.833 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.574 0.990 -2.195 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.267 -0.726 -2.378 1.00 0.35 H new ATOM 0 HG LEU A 27 11.857 0.413 -1.287 1.00 0.38 H new ATOM 0 HD11 LEU A 27 11.010 -0.250 0.928 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.991 1.003 0.180 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.450 -0.692 0.194 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.201 -1.891 -0.475 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.684 -2.390 -1.260 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.056 -1.833 -2.247 1.00 0.43 H new ATOM 398 N GLY A 28 9.706 0.675 -5.882 1.00 0.29 N ATOM 399 CA GLY A 28 8.746 0.573 -6.966 1.00 0.31 C ATOM 400 C GLY A 28 7.316 0.747 -6.499 1.00 0.29 C ATOM 401 O GLY A 28 6.410 0.078 -6.993 1.00 0.52 O ATOM 0 H GLY A 28 10.407 1.406 -5.999 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.972 1.328 -7.719 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.851 -0.399 -7.448 1.00 0.31 H new ATOM 405 N ILE A 29 7.114 1.648 -5.542 1.00 0.35 N ATOM 406 CA ILE A 29 5.783 1.906 -5.007 1.00 0.32 C ATOM 407 C ILE A 29 5.271 3.276 -5.442 1.00 0.30 C ATOM 408 O ILE A 29 5.763 4.306 -4.985 1.00 0.35 O ATOM 409 CB ILE A 29 5.774 1.825 -3.468 1.00 0.37 C ATOM 410 CG1 ILE A 29 6.325 0.473 -3.007 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.364 2.042 -2.936 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.512 0.369 -1.508 1.00 0.84 C ATOM 0 H ILE A 29 7.854 2.210 -5.122 1.00 0.35 H new ATOM 0 HA ILE A 29 5.124 1.135 -5.406 1.00 0.32 H new ATOM 0 HB ILE A 29 6.415 2.612 -3.070 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.648 -0.316 -3.335 1.00 0.46 H new ATOM 0 HG13 ILE A 29 7.283 0.295 -3.497 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.373 1.982 -1.848 1.00 0.36 H new ATOM 0 HG22 ILE A 29 4.007 3.025 -3.243 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.702 1.274 -3.336 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.905 -0.616 -1.258 1.00 0.84 H new ATOM 0 HD12 ILE A 29 7.213 1.135 -1.175 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.553 0.514 -1.011 1.00 0.84 H new ATOM 424 N SER A 30 4.278 3.275 -6.326 1.00 0.27 N ATOM 425 CA SER A 30 3.695 4.517 -6.823 1.00 0.29 C ATOM 426 C SER A 30 2.325 4.754 -6.200 1.00 0.28 C ATOM 427 O SER A 30 1.373 4.020 -6.470 1.00 0.35 O ATOM 428 CB SER A 30 3.577 4.479 -8.347 1.00 0.33 C ATOM 429 OG SER A 30 3.045 5.694 -8.848 1.00 0.95 O ATOM 0 H SER A 30 3.860 2.429 -6.713 1.00 0.27 H new ATOM 0 HA SER A 30 4.353 5.339 -6.541 1.00 0.29 H new ATOM 0 HB2 SER A 30 4.558 4.299 -8.786 1.00 0.33 H new ATOM 0 HB3 SER A 30 2.937 3.648 -8.645 1.00 0.33 H new ATOM 0 HG SER A 30 2.509 5.511 -9.648 1.00 0.95 H new ATOM 435 N ILE A 31 2.231 5.784 -5.364 1.00 0.25 N ATOM 436 CA ILE A 31 0.980 6.116 -4.695 1.00 0.27 C ATOM 437 C ILE A 31 0.357 7.384 -5.271 1.00 0.31 C ATOM 438 O ILE A 31 1.003 8.125 -6.013 1.00 0.41 O ATOM 439 CB ILE A 31 1.193 6.308 -3.183 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.267 7.370 -2.930 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.578 4.987 -2.532 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.377 7.791 -1.481 1.00 0.39 C ATOM 0 H ILE A 31 3.008 6.403 -5.134 1.00 0.25 H new ATOM 0 HA ILE A 31 0.303 5.279 -4.863 1.00 0.27 H new ATOM 0 HB ILE A 31 0.259 6.650 -2.737 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.231 6.985 -3.261 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.048 8.247 -3.538 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.726 5.138 -1.463 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.783 4.258 -2.689 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.502 4.618 -2.977 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.158 8.545 -1.379 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.426 8.207 -1.150 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.627 6.925 -0.868 1.00 0.39 H new ATOM 454 N SER A 32 -0.902 7.625 -4.920 1.00 0.37 N ATOM 455 CA SER A 32 -1.620 8.802 -5.393 1.00 0.44 C ATOM 456 C SER A 32 -2.505 9.371 -4.289 1.00 0.55 C ATOM 457 O SER A 32 -3.206 8.631 -3.598 1.00 0.59 O ATOM 458 CB SER A 32 -2.469 8.453 -6.617 1.00 0.48 C ATOM 459 OG SER A 32 -1.659 7.983 -7.681 1.00 1.32 O ATOM 0 H SER A 32 -1.447 7.018 -4.308 1.00 0.37 H new ATOM 0 HA SER A 32 -0.887 9.558 -5.676 1.00 0.44 H new ATOM 0 HB2 SER A 32 -3.202 7.692 -6.350 1.00 0.48 H new ATOM 0 HB3 SER A 32 -3.026 9.333 -6.940 1.00 0.48 H new ATOM 0 HG SER A 32 -2.078 8.212 -8.537 1.00 1.32 H new ATOM 465 N GLY A 33 -2.467 10.691 -4.129 1.00 0.70 N ATOM 466 CA GLY A 33 -3.268 11.338 -3.106 1.00 0.87 C ATOM 467 C GLY A 33 -4.628 11.771 -3.618 1.00 0.88 C ATOM 468 O GLY A 33 -4.843 12.949 -3.907 1.00 0.95 O ATOM 0 H GLY A 33 -1.896 11.323 -4.690 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.400 10.655 -2.267 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.733 12.208 -2.727 1.00 0.87 H new ATOM 634 N ILE A 46 -3.878 7.480 0.922 1.00 0.46 N ATOM 635 CA ILE A 46 -2.624 7.031 0.328 1.00 0.39 C ATOM 636 C ILE A 46 -2.758 5.605 -0.198 1.00 0.39 C ATOM 637 O ILE A 46 -2.681 4.643 0.566 1.00 0.57 O ATOM 638 CB ILE A 46 -1.465 7.090 1.347 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.326 8.505 1.922 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.161 6.640 0.702 1.00 0.43 C ATOM 641 CD1 ILE A 46 -1.038 9.567 0.880 1.00 0.55 C ATOM 0 HA ILE A 46 -2.398 7.705 -0.499 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.692 6.409 2.167 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -2.245 8.765 2.447 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.525 8.509 2.661 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.644 6.689 1.436 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.266 5.615 0.346 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.074 7.294 -0.138 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.954 10.539 1.365 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -0.103 9.333 0.371 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.850 9.593 0.153 1.00 0.55 H new ATOM 653 N TYR A 47 -2.960 5.477 -1.506 1.00 0.30 N ATOM 654 CA TYR A 47 -3.114 4.166 -2.129 1.00 0.30 C ATOM 655 C TYR A 47 -2.172 4.006 -3.320 1.00 0.26 C ATOM 656 O TYR A 47 -1.941 4.951 -4.074 1.00 0.29 O ATOM 657 CB TYR A 47 -4.563 3.962 -2.583 1.00 0.36 C ATOM 658 CG TYR A 47 -4.979 4.865 -3.725 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.379 6.176 -3.493 1.00 0.43 C ATOM 660 CD2 TYR A 47 -4.974 4.403 -5.035 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.758 7.001 -4.533 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.353 5.224 -6.082 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.744 6.520 -5.825 1.00 0.58 C ATOM 664 OH TYR A 47 -6.120 7.341 -6.864 1.00 0.70 O ATOM 0 H TYR A 47 -3.021 6.263 -2.154 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.858 3.411 -1.386 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.696 2.924 -2.886 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.227 4.134 -1.736 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.394 6.556 -2.482 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.670 3.387 -5.239 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.064 8.018 -4.336 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.342 4.851 -7.096 1.00 0.57 H new ATOM 0 HH TYR A 47 -5.907 8.271 -6.640 1.00 0.70 H new ATOM 674 N VAL A 48 -1.631 2.801 -3.481 1.00 0.26 N ATOM 675 CA VAL A 48 -0.725 2.508 -4.584 1.00 0.25 C ATOM 676 C VAL A 48 -1.505 2.325 -5.880 1.00 0.28 C ATOM 677 O VAL A 48 -2.265 1.367 -6.028 1.00 0.39 O ATOM 678 CB VAL A 48 0.108 1.241 -4.309 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.959 0.878 -5.517 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.981 1.438 -3.079 1.00 0.29 C ATOM 0 H VAL A 48 -1.806 2.011 -2.859 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.047 3.356 -4.681 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.578 0.415 -4.119 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.538 -0.019 -5.298 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.313 0.693 -6.375 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.637 1.700 -5.745 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.563 0.535 -2.898 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.656 2.278 -3.243 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.350 1.643 -2.214 1.00 0.29 H new ATOM 690 N LYS A 49 -1.314 3.248 -6.817 1.00 0.31 N ATOM 691 CA LYS A 49 -2.010 3.194 -8.097 1.00 0.38 C ATOM 692 C LYS A 49 -1.232 2.366 -9.118 1.00 0.32 C ATOM 693 O LYS A 49 -1.823 1.758 -10.011 1.00 0.37 O ATOM 694 CB LYS A 49 -2.239 4.609 -8.631 1.00 0.49 C ATOM 695 CG LYS A 49 -3.086 4.656 -9.893 1.00 0.61 C ATOM 696 CD LYS A 49 -3.332 6.087 -10.351 1.00 0.84 C ATOM 697 CE LYS A 49 -4.247 6.835 -9.393 1.00 1.65 C ATOM 698 NZ LYS A 49 -4.511 8.226 -9.852 1.00 2.40 N ATOM 0 H LYS A 49 -0.683 4.043 -6.714 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.974 2.710 -7.936 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.722 5.206 -7.857 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.273 5.072 -8.835 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.588 4.100 -10.687 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.041 4.163 -9.710 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.380 6.612 -10.430 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.776 6.079 -11.347 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -5.191 6.298 -9.299 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -3.794 6.859 -8.402 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -5.138 8.703 -9.173 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.613 8.746 -9.918 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -4.967 8.203 -10.787 1.00 2.40 H new ATOM 712 N SER A 50 0.092 2.344 -8.986 1.00 0.28 N ATOM 713 CA SER A 50 0.934 1.586 -9.909 1.00 0.35 C ATOM 714 C SER A 50 2.242 1.162 -9.248 1.00 0.28 C ATOM 715 O SER A 50 2.511 1.508 -8.097 1.00 0.25 O ATOM 716 CB SER A 50 1.228 2.415 -11.161 1.00 0.49 C ATOM 717 OG SER A 50 1.886 3.626 -10.829 1.00 1.28 O ATOM 0 H SER A 50 0.603 2.838 -8.254 1.00 0.28 H new ATOM 0 HA SER A 50 0.389 0.685 -10.193 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.848 1.837 -11.846 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.296 2.635 -11.682 1.00 0.49 H new ATOM 0 HG SER A 50 2.064 4.136 -11.646 1.00 1.28 H new ATOM 723 N LEU A 51 3.050 0.409 -9.988 1.00 0.32 N ATOM 724 CA LEU A 51 4.333 -0.072 -9.486 1.00 0.27 C ATOM 725 C LEU A 51 5.427 0.100 -10.536 1.00 0.27 C ATOM 726 O LEU A 51 5.150 0.113 -11.736 1.00 0.42 O ATOM 727 CB LEU A 51 4.224 -1.547 -9.092 1.00 0.30 C ATOM 728 CG LEU A 51 3.185 -1.860 -8.015 1.00 0.33 C ATOM 729 CD1 LEU A 51 3.008 -3.363 -7.865 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.590 -1.236 -6.688 1.00 0.32 C ATOM 0 H LEU A 51 2.838 0.117 -10.942 1.00 0.32 H new ATOM 0 HA LEU A 51 4.597 0.518 -8.609 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.986 -2.128 -9.983 1.00 0.30 H new ATOM 0 HB3 LEU A 51 5.199 -1.886 -8.742 1.00 0.30 H new ATOM 0 HG LEU A 51 2.231 -1.431 -8.321 1.00 0.33 H new ATOM 0 HD11 LEU A 51 2.265 -3.567 -7.094 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.674 -3.786 -8.812 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.958 -3.815 -7.581 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.839 -1.469 -5.932 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.555 -1.637 -6.377 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.666 -0.155 -6.803 1.00 0.32 H new ATOM 742 N ILE A 52 6.668 0.230 -10.078 1.00 0.24 N ATOM 743 CA ILE A 52 7.801 0.397 -10.982 1.00 0.24 C ATOM 744 C ILE A 52 8.398 -0.957 -11.366 1.00 0.23 C ATOM 745 O ILE A 52 9.015 -1.624 -10.536 1.00 0.28 O ATOM 746 CB ILE A 52 8.899 1.270 -10.350 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.325 2.639 -9.976 1.00 0.36 C ATOM 748 CG2 ILE A 52 10.076 1.417 -11.308 1.00 0.31 C ATOM 749 CD1 ILE A 52 9.338 3.576 -9.358 1.00 1.26 C ATOM 0 H ILE A 52 6.915 0.223 -9.088 1.00 0.24 H new ATOM 0 HA ILE A 52 7.425 0.894 -11.876 1.00 0.24 H new ATOM 0 HB ILE A 52 9.261 0.787 -9.442 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.910 3.105 -10.870 1.00 0.36 H new ATOM 0 HG13 ILE A 52 7.500 2.498 -9.278 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.845 2.037 -10.847 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.489 0.433 -11.531 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.737 1.886 -12.232 1.00 0.31 H new ATOM 0 HD11 ILE A 52 8.858 4.525 -9.120 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.736 3.132 -8.446 1.00 1.26 H new ATOM 0 HD13 ILE A 52 10.152 3.748 -10.062 1.00 1.26 H new ATOM 761 N PRO A 53 8.223 -1.385 -12.635 1.00 0.31 N ATOM 762 CA PRO A 53 8.749 -2.670 -13.112 1.00 0.35 C ATOM 763 C PRO A 53 10.260 -2.778 -12.938 1.00 0.34 C ATOM 764 O PRO A 53 11.012 -1.927 -13.413 1.00 0.46 O ATOM 765 CB PRO A 53 8.380 -2.691 -14.603 1.00 0.43 C ATOM 766 CG PRO A 53 8.063 -1.277 -14.950 1.00 0.82 C ATOM 767 CD PRO A 53 7.512 -0.659 -13.699 1.00 0.47 C ATOM 0 HA PRO A 53 8.334 -3.506 -12.550 1.00 0.35 H new ATOM 0 HB2 PRO A 53 9.205 -3.069 -15.207 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.526 -3.342 -14.788 1.00 0.43 H new ATOM 0 HG2 PRO A 53 8.955 -0.748 -15.287 1.00 0.82 H new ATOM 0 HG3 PRO A 53 7.338 -1.228 -15.762 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.707 0.413 -13.657 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.432 -0.789 -13.625 1.00 0.47 H new ATOM 775 N GLY A 54 10.696 -3.832 -12.252 1.00 0.39 N ATOM 776 CA GLY A 54 12.115 -4.035 -12.025 1.00 0.41 C ATOM 777 C GLY A 54 12.511 -3.799 -10.581 1.00 0.39 C ATOM 778 O GLY A 54 13.667 -3.998 -10.208 1.00 0.49 O ATOM 0 H GLY A 54 10.091 -4.548 -11.850 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.384 -5.052 -12.311 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.683 -3.363 -12.669 1.00 0.41 H new ATOM 782 N SER A 55 11.550 -3.373 -9.766 1.00 0.35 N ATOM 783 CA SER A 55 11.808 -3.109 -8.355 1.00 0.35 C ATOM 784 C SER A 55 11.338 -4.274 -7.487 1.00 0.32 C ATOM 785 O SER A 55 10.782 -5.248 -7.990 1.00 0.36 O ATOM 786 CB SER A 55 11.111 -1.819 -7.920 1.00 0.37 C ATOM 787 OG SER A 55 11.477 -1.462 -6.599 1.00 1.23 O ATOM 0 H SER A 55 10.588 -3.204 -10.058 1.00 0.35 H new ATOM 0 HA SER A 55 12.884 -2.994 -8.224 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.373 -1.012 -8.604 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.030 -1.948 -7.979 1.00 0.37 H new ATOM 0 HG SER A 55 11.904 -0.580 -6.605 1.00 1.23 H new ATOM 793 N ALA A 56 11.563 -4.163 -6.181 1.00 0.35 N ATOM 794 CA ALA A 56 11.171 -5.210 -5.241 1.00 0.36 C ATOM 795 C ALA A 56 9.671 -5.488 -5.297 1.00 0.32 C ATOM 796 O ALA A 56 9.251 -6.614 -5.563 1.00 0.34 O ATOM 797 CB ALA A 56 11.579 -4.825 -3.826 1.00 0.42 C ATOM 0 H ALA A 56 12.015 -3.358 -5.748 1.00 0.35 H new ATOM 0 HA ALA A 56 11.689 -6.124 -5.530 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.281 -5.613 -3.134 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.660 -4.693 -3.782 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.088 -3.893 -3.547 1.00 0.42 H new ATOM 803 N ALA A 57 8.872 -4.455 -5.045 1.00 0.30 N ATOM 804 CA ALA A 57 7.416 -4.586 -5.054 1.00 0.30 C ATOM 805 C ALA A 57 6.909 -5.197 -6.357 1.00 0.30 C ATOM 806 O ALA A 57 6.118 -6.141 -6.343 1.00 0.35 O ATOM 807 CB ALA A 57 6.766 -3.231 -4.827 1.00 0.32 C ATOM 0 H ALA A 57 9.208 -3.516 -4.832 1.00 0.30 H new ATOM 0 HA ALA A 57 7.142 -5.260 -4.243 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.682 -3.342 -4.836 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.082 -2.833 -3.863 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.067 -2.546 -5.619 1.00 0.32 H new ATOM 813 N ALA A 58 7.362 -4.651 -7.481 1.00 0.31 N ATOM 814 CA ALA A 58 6.944 -5.136 -8.793 1.00 0.33 C ATOM 815 C ALA A 58 7.282 -6.611 -8.988 1.00 0.34 C ATOM 816 O ALA A 58 6.497 -7.364 -9.565 1.00 0.44 O ATOM 817 CB ALA A 58 7.585 -4.300 -9.891 1.00 0.37 C ATOM 0 H ALA A 58 8.019 -3.872 -7.510 1.00 0.31 H new ATOM 0 HA ALA A 58 5.860 -5.037 -8.851 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.266 -4.672 -10.865 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.279 -3.260 -9.782 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.670 -4.369 -9.814 1.00 0.37 H new ATOM 823 N LEU A 59 8.451 -7.020 -8.507 1.00 0.35 N ATOM 824 CA LEU A 59 8.890 -8.406 -8.641 1.00 0.39 C ATOM 825 C LEU A 59 8.073 -9.336 -7.747 1.00 0.42 C ATOM 826 O LEU A 59 7.985 -10.536 -8.006 1.00 0.57 O ATOM 827 CB LEU A 59 10.378 -8.534 -8.304 1.00 0.47 C ATOM 828 CG LEU A 59 11.335 -7.911 -9.326 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.773 -8.007 -8.838 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.187 -8.589 -10.681 1.00 0.61 C ATOM 0 H LEU A 59 9.111 -6.413 -8.021 1.00 0.35 H new ATOM 0 HA LEU A 59 8.733 -8.703 -9.678 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.556 -8.070 -7.334 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.621 -9.592 -8.200 1.00 0.47 H new ATOM 0 HG LEU A 59 11.078 -6.858 -9.438 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.438 -7.560 -9.576 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.872 -7.476 -7.891 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.040 -9.054 -8.696 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.875 -8.133 -11.393 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.416 -9.650 -10.584 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.164 -8.470 -11.038 1.00 0.61 H new ATOM 842 N ASP A 60 7.479 -8.778 -6.697 1.00 0.44 N ATOM 843 CA ASP A 60 6.675 -9.567 -5.769 1.00 0.52 C ATOM 844 C ASP A 60 5.498 -10.218 -6.488 1.00 0.61 C ATOM 845 O ASP A 60 5.333 -11.437 -6.452 1.00 0.79 O ATOM 846 CB ASP A 60 6.170 -8.689 -4.623 1.00 0.74 C ATOM 847 CG ASP A 60 5.516 -9.499 -3.522 1.00 1.08 C ATOM 848 OD1 ASP A 60 4.311 -9.798 -3.642 1.00 1.86 O ATOM 849 OD2 ASP A 60 6.210 -9.831 -2.538 1.00 1.32 O ATOM 0 H ASP A 60 7.538 -7.786 -6.467 1.00 0.44 H new ATOM 0 HA ASP A 60 7.306 -10.355 -5.359 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.004 -8.123 -4.208 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.454 -7.964 -5.012 1.00 0.74 H new ATOM 854 N GLY A 61 4.681 -9.396 -7.143 1.00 0.72 N ATOM 855 CA GLY A 61 3.537 -9.910 -7.872 1.00 1.06 C ATOM 856 C GLY A 61 2.238 -9.805 -7.095 1.00 0.83 C ATOM 857 O GLY A 61 1.220 -9.370 -7.634 1.00 0.94 O ATOM 0 H GLY A 61 4.792 -8.383 -7.181 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.437 -9.364 -8.810 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.717 -10.954 -8.128 1.00 1.06 H new ATOM 861 N ARG A 62 2.270 -10.204 -5.826 1.00 0.63 N ATOM 862 CA ARG A 62 1.081 -10.162 -4.980 1.00 0.59 C ATOM 863 C ARG A 62 0.547 -8.739 -4.835 1.00 0.52 C ATOM 864 O ARG A 62 -0.645 -8.537 -4.609 1.00 0.69 O ATOM 865 CB ARG A 62 1.387 -10.746 -3.599 1.00 0.67 C ATOM 866 CG ARG A 62 1.807 -12.206 -3.637 1.00 0.81 C ATOM 867 CD ARG A 62 2.028 -12.759 -2.239 1.00 1.05 C ATOM 868 NE ARG A 62 0.834 -12.634 -1.406 1.00 1.31 N ATOM 869 CZ ARG A 62 0.594 -13.393 -0.341 1.00 1.93 C ATOM 870 NH1 ARG A 62 1.455 -14.338 0.014 1.00 2.26 N ATOM 871 NH2 ARG A 62 -0.511 -13.210 0.370 1.00 2.59 N ATOM 0 H ARG A 62 3.106 -10.560 -5.362 1.00 0.63 H new ATOM 0 HA ARG A 62 0.312 -10.765 -5.463 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.180 -10.160 -3.133 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.504 -10.647 -2.968 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.041 -12.793 -4.145 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.723 -12.307 -4.218 1.00 0.81 H new ATOM 0 HD2 ARG A 62 2.315 -13.808 -2.305 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.856 -12.231 -1.767 1.00 1.05 H new ATOM 0 HE ARG A 62 0.145 -11.924 -1.656 1.00 1.31 H new ATOM 0 HH11 ARG A 62 2.305 -14.484 -0.531 1.00 2.26 H new ATOM 0 HH12 ARG A 62 1.267 -14.918 0.832 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -1.177 -12.487 0.100 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -0.694 -13.793 1.187 1.00 2.59 H new ATOM 885 N ILE A 63 1.433 -7.757 -4.967 1.00 0.48 N ATOM 886 CA ILE A 63 1.036 -6.358 -4.849 1.00 0.48 C ATOM 887 C ILE A 63 0.248 -5.907 -6.075 1.00 0.49 C ATOM 888 O ILE A 63 0.820 -5.639 -7.132 1.00 0.59 O ATOM 889 CB ILE A 63 2.257 -5.438 -4.661 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.055 -5.869 -3.427 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.812 -3.986 -4.535 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.341 -5.093 -3.231 1.00 0.92 C ATOM 0 H ILE A 63 2.425 -7.902 -5.155 1.00 0.48 H new ATOM 0 HA ILE A 63 0.401 -6.282 -3.966 1.00 0.48 H new ATOM 0 HB ILE A 63 2.901 -5.523 -5.536 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.431 -5.749 -2.542 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.290 -6.930 -3.510 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.686 -3.348 -4.403 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.279 -3.689 -5.438 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.152 -3.881 -3.674 1.00 0.66 H new ATOM 0 HD11 ILE A 63 4.851 -5.454 -2.338 1.00 0.92 H new ATOM 0 HD12 ILE A 63 4.986 -5.232 -4.099 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.113 -4.034 -3.115 1.00 0.92 H new ATOM 904 N GLU A 64 -1.071 -5.829 -5.924 1.00 0.51 N ATOM 905 CA GLU A 64 -1.947 -5.409 -7.013 1.00 0.58 C ATOM 906 C GLU A 64 -2.220 -3.907 -6.934 1.00 0.56 C ATOM 907 O GLU A 64 -2.477 -3.378 -5.853 1.00 0.66 O ATOM 908 CB GLU A 64 -3.266 -6.184 -6.955 1.00 0.79 C ATOM 909 CG GLU A 64 -4.266 -5.769 -8.022 1.00 1.09 C ATOM 910 CD GLU A 64 -5.552 -6.573 -7.962 1.00 1.39 C ATOM 911 OE1 GLU A 64 -6.459 -6.185 -7.197 1.00 1.67 O ATOM 912 OE2 GLU A 64 -5.649 -7.590 -8.680 1.00 1.98 O ATOM 0 H GLU A 64 -1.558 -6.052 -5.056 1.00 0.51 H new ATOM 0 HA GLU A 64 -1.449 -5.622 -7.959 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -3.057 -7.249 -7.060 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.717 -6.043 -5.973 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -4.498 -4.710 -7.905 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.813 -5.889 -9.006 1.00 1.09 H new ATOM 919 N PRO A 65 -2.167 -3.195 -8.078 1.00 0.56 N ATOM 920 CA PRO A 65 -2.410 -1.748 -8.116 1.00 0.64 C ATOM 921 C PRO A 65 -3.788 -1.378 -7.582 1.00 0.72 C ATOM 922 O PRO A 65 -4.617 -2.250 -7.319 1.00 1.44 O ATOM 923 CB PRO A 65 -2.300 -1.393 -9.605 1.00 0.77 C ATOM 924 CG PRO A 65 -2.448 -2.688 -10.328 1.00 0.83 C ATOM 925 CD PRO A 65 -1.873 -3.732 -9.418 1.00 0.62 C ATOM 0 HA PRO A 65 -1.703 -1.206 -7.487 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -3.076 -0.687 -9.900 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.341 -0.925 -9.828 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -3.495 -2.895 -10.548 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -1.920 -2.666 -11.281 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.338 -4.705 -9.575 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.802 -3.861 -9.576 1.00 0.62 H new ATOM 933 N ASN A 66 -4.023 -0.078 -7.426 1.00 0.60 N ATOM 934 CA ASN A 66 -5.297 0.419 -6.920 1.00 0.59 C ATOM 935 C ASN A 66 -5.589 -0.145 -5.531 1.00 0.51 C ATOM 936 O ASN A 66 -6.746 -0.315 -5.149 1.00 0.73 O ATOM 937 CB ASN A 66 -6.430 0.064 -7.885 1.00 0.66 C ATOM 938 CG ASN A 66 -6.197 0.620 -9.276 1.00 1.34 C ATOM 939 OD1 ASN A 66 -6.611 1.738 -9.589 1.00 2.15 O ATOM 940 ND2 ASN A 66 -5.530 -0.158 -10.120 1.00 2.01 N ATOM 0 H ASN A 66 -3.345 0.652 -7.644 1.00 0.60 H new ATOM 0 HA ASN A 66 -5.230 1.504 -6.841 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.530 -1.020 -7.942 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.371 0.451 -7.495 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -5.342 0.163 -11.070 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -5.205 -1.077 -9.819 1.00 2.01 H new ATOM 947 N ASP A 67 -4.528 -0.431 -4.782 1.00 0.36 N ATOM 948 CA ASP A 67 -4.664 -0.974 -3.434 1.00 0.34 C ATOM 949 C ASP A 67 -4.428 0.117 -2.395 1.00 0.30 C ATOM 950 O ASP A 67 -3.540 0.955 -2.556 1.00 0.38 O ATOM 951 CB ASP A 67 -3.672 -2.121 -3.221 1.00 0.41 C ATOM 952 CG ASP A 67 -3.951 -2.903 -1.951 1.00 1.17 C ATOM 953 OD1 ASP A 67 -4.059 -2.276 -0.878 1.00 1.46 O ATOM 954 OD2 ASP A 67 -4.054 -4.145 -2.032 1.00 2.02 O ATOM 0 H ASP A 67 -3.564 -0.296 -5.086 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.678 -1.357 -3.317 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.713 -2.796 -4.076 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -2.660 -1.719 -3.181 1.00 0.41 H new ATOM 959 N LYS A 68 -5.225 0.105 -1.329 1.00 0.27 N ATOM 960 CA LYS A 68 -5.097 1.098 -0.272 1.00 0.28 C ATOM 961 C LYS A 68 -4.077 0.661 0.775 1.00 0.26 C ATOM 962 O LYS A 68 -4.156 -0.446 1.307 1.00 0.38 O ATOM 963 CB LYS A 68 -6.454 1.335 0.388 1.00 0.37 C ATOM 964 CG LYS A 68 -6.425 2.407 1.461 1.00 0.53 C ATOM 965 CD LYS A 68 -7.805 2.641 2.047 1.00 0.53 C ATOM 966 CE LYS A 68 -7.805 3.826 2.994 1.00 0.58 C ATOM 967 NZ LYS A 68 -6.981 3.569 4.206 1.00 1.02 N ATOM 0 H LYS A 68 -5.964 -0.581 -1.177 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.745 2.027 -0.720 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.177 1.617 -0.377 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.804 0.401 0.828 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.737 2.112 2.253 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.045 3.337 1.038 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.520 2.815 1.243 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.134 1.748 2.578 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.423 4.705 2.475 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -8.829 4.052 3.292 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -7.062 4.375 4.858 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -7.318 2.706 4.679 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -5.986 3.446 3.930 1.00 1.02 H new ATOM 981 N ILE A 69 -3.121 1.538 1.068 1.00 0.24 N ATOM 982 CA ILE A 69 -2.091 1.247 2.057 1.00 0.21 C ATOM 983 C ILE A 69 -2.529 1.709 3.442 1.00 0.21 C ATOM 984 O ILE A 69 -3.073 2.803 3.597 1.00 0.29 O ATOM 985 CB ILE A 69 -0.755 1.930 1.701 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.346 1.597 0.263 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.333 1.512 2.681 1.00 0.23 C ATOM 988 CD1 ILE A 69 -0.157 0.115 0.005 1.00 0.28 C ATOM 0 H ILE A 69 -3.039 2.457 0.633 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.945 0.167 2.058 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.888 3.009 1.775 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -1.106 1.980 -0.418 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.583 2.118 0.030 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.270 2.003 2.416 1.00 0.23 H new ATOM 0 HG22 ILE A 69 0.044 1.803 3.691 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.465 0.431 2.639 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.132 -0.039 -1.035 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.624 -0.272 0.660 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -1.091 -0.411 0.204 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.290 0.871 4.446 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.667 1.198 5.815 1.00 0.21 C ATOM 1002 C LEU A 70 -1.441 1.531 6.659 1.00 0.20 C ATOM 1003 O LEU A 70 -1.283 2.661 7.123 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.439 0.036 6.446 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.740 -0.342 5.732 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.363 -1.572 6.375 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.720 0.824 5.751 1.00 0.38 C ATOM 0 H LEU A 70 -1.838 -0.037 4.337 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.309 2.078 5.785 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.790 -0.839 6.473 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.671 0.293 7.480 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.506 -0.577 4.694 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.287 -1.826 5.855 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.667 -2.409 6.309 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.582 -1.364 7.422 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.638 0.536 5.239 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.948 1.091 6.783 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.276 1.681 5.245 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.569 0.546 6.851 1.00 0.20 N ATOM 1020 CA ARG A 71 0.634 0.749 7.647 1.00 0.25 C ATOM 1021 C ARG A 71 1.796 -0.100 7.140 1.00 0.18 C ATOM 1022 O ARG A 71 1.635 -1.284 6.840 1.00 0.26 O ATOM 1023 CB ARG A 71 0.356 0.425 9.116 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.138 -0.994 9.346 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.403 -1.257 10.820 1.00 0.77 C ATOM 1026 NE ARG A 71 0.802 -1.101 11.629 1.00 1.38 N ATOM 1027 CZ ARG A 71 0.814 -1.168 12.957 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -0.311 -1.390 13.624 1.00 1.17 N ATOM 1029 NH2 ARG A 71 1.953 -1.016 13.619 1.00 2.61 N ATOM 0 H ARG A 71 -0.673 -0.394 6.469 1.00 0.20 H new ATOM 0 HA ARG A 71 0.918 1.797 7.553 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.268 0.581 9.692 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.386 1.125 9.499 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.052 -1.160 8.775 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.602 -1.703 8.976 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.171 -0.572 11.178 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.794 -2.267 10.943 1.00 0.77 H new ATOM 0 HE ARG A 71 1.685 -0.931 11.148 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.189 -1.510 13.118 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -0.298 -1.441 14.643 1.00 1.17 H new ATOM 0 HH21 ARG A 71 2.820 -0.848 13.110 1.00 2.61 H new ATOM 0 HH22 ARG A 71 1.962 -1.067 14.638 1.00 2.61 H new ATOM 1043 N VAL A 72 2.965 0.524 7.046 1.00 0.21 N ATOM 1044 CA VAL A 72 4.171 -0.155 6.592 1.00 0.17 C ATOM 1045 C VAL A 72 4.907 -0.769 7.782 1.00 0.17 C ATOM 1046 O VAL A 72 4.492 -0.594 8.926 1.00 0.20 O ATOM 1047 CB VAL A 72 5.112 0.821 5.850 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.133 0.067 5.009 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.310 1.781 4.985 1.00 0.28 C ATOM 0 H VAL A 72 3.102 1.507 7.281 1.00 0.21 H new ATOM 0 HA VAL A 72 3.874 -0.943 5.900 1.00 0.17 H new ATOM 0 HB VAL A 72 5.655 1.399 6.598 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.781 0.779 4.499 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.734 -0.573 5.654 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.615 -0.546 4.271 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.989 2.461 4.470 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.736 1.216 4.250 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.629 2.355 5.614 1.00 0.28 H new ATOM 1059 N ASP A 73 5.981 -1.504 7.509 1.00 0.18 N ATOM 1060 CA ASP A 73 6.773 -2.136 8.562 1.00 0.21 C ATOM 1061 C ASP A 73 7.086 -1.159 9.698 1.00 0.22 C ATOM 1062 O ASP A 73 7.882 -0.234 9.531 1.00 0.23 O ATOM 1063 CB ASP A 73 8.080 -2.674 7.977 1.00 0.26 C ATOM 1064 CG ASP A 73 8.851 -3.526 8.965 1.00 0.47 C ATOM 1065 OD1 ASP A 73 9.659 -2.962 9.731 1.00 0.56 O ATOM 1066 OD2 ASP A 73 8.647 -4.758 8.969 1.00 0.79 O ATOM 0 H ASP A 73 6.325 -1.678 6.564 1.00 0.18 H new ATOM 0 HA ASP A 73 6.184 -2.956 8.973 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.860 -3.264 7.087 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.703 -1.838 7.659 1.00 0.26 H new ATOM 1071 N ASP A 74 6.454 -1.378 10.850 1.00 0.25 N ATOM 1072 CA ASP A 74 6.664 -0.533 12.027 1.00 0.29 C ATOM 1073 C ASP A 74 6.423 0.943 11.714 1.00 0.25 C ATOM 1074 O ASP A 74 7.015 1.824 12.339 1.00 0.29 O ATOM 1075 CB ASP A 74 8.080 -0.727 12.573 1.00 0.35 C ATOM 1076 CG ASP A 74 8.316 -2.137 13.079 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.602 -3.025 12.248 1.00 2.01 O ATOM 1078 OD2 ASP A 74 8.211 -2.354 14.304 1.00 1.34 O ATOM 0 H ASP A 74 5.789 -2.137 10.995 1.00 0.25 H new ATOM 0 HA ASP A 74 5.940 -0.837 12.783 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.803 -0.499 11.790 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.254 -0.019 13.383 1.00 0.35 H new ATOM 1083 N VAL A 75 5.551 1.207 10.746 1.00 0.27 N ATOM 1084 CA VAL A 75 5.227 2.575 10.351 1.00 0.27 C ATOM 1085 C VAL A 75 3.762 2.684 9.933 1.00 0.37 C ATOM 1086 O VAL A 75 3.192 1.741 9.386 1.00 0.79 O ATOM 1087 CB VAL A 75 6.120 3.058 9.185 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.759 4.482 8.784 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.593 2.967 9.557 1.00 0.41 C ATOM 0 H VAL A 75 5.054 0.489 10.218 1.00 0.27 H new ATOM 0 HA VAL A 75 5.410 3.209 11.219 1.00 0.27 H new ATOM 0 HB VAL A 75 5.942 2.404 8.331 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.399 4.802 7.962 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.717 4.518 8.467 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.902 5.147 9.636 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.201 3.312 8.721 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.787 3.591 10.429 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.847 1.932 9.788 1.00 0.41 H new ATOM 1099 N ASN A 76 3.159 3.839 10.198 1.00 0.30 N ATOM 1100 CA ASN A 76 1.763 4.074 9.843 1.00 0.37 C ATOM 1101 C ASN A 76 1.654 5.199 8.818 1.00 0.42 C ATOM 1102 O ASN A 76 2.201 6.283 9.016 1.00 0.58 O ATOM 1103 CB ASN A 76 0.949 4.424 11.091 1.00 0.46 C ATOM 1104 CG ASN A 76 1.519 5.614 11.837 1.00 1.35 C ATOM 1105 OD1 ASN A 76 2.370 5.463 12.714 1.00 2.24 O ATOM 1106 ND2 ASN A 76 1.049 6.808 11.495 1.00 2.08 N ATOM 0 H ASN A 76 3.615 4.627 10.657 1.00 0.30 H new ATOM 0 HA ASN A 76 1.362 3.160 9.404 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.080 4.638 10.802 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.920 3.561 11.756 1.00 0.46 H new ATOM 0 HD21 ASN A 76 1.393 7.645 11.965 1.00 2.08 H new ATOM 0 HD22 ASN A 76 0.344 6.888 10.762 1.00 2.08 H new ATOM 1113 N VAL A 77 0.943 4.938 7.723 1.00 0.35 N ATOM 1114 CA VAL A 77 0.776 5.936 6.671 1.00 0.43 C ATOM 1115 C VAL A 77 -0.657 6.457 6.622 1.00 0.53 C ATOM 1116 O VAL A 77 -1.131 6.903 5.576 1.00 0.67 O ATOM 1117 CB VAL A 77 1.156 5.367 5.290 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.616 4.944 5.268 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.250 4.201 4.921 1.00 0.53 C ATOM 0 H VAL A 77 0.476 4.049 7.542 1.00 0.35 H new ATOM 0 HA VAL A 77 1.447 6.761 6.912 1.00 0.43 H new ATOM 0 HB VAL A 77 1.018 6.152 4.547 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.864 4.545 4.285 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.248 5.806 5.480 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.784 4.177 6.024 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.535 3.814 3.943 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.350 3.412 5.667 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.785 4.541 4.889 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.341 6.400 7.759 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.721 6.868 7.847 1.00 0.72 C ATOM 1131 C GLN A 78 -2.783 8.293 8.391 1.00 0.61 C ATOM 1132 O GLN A 78 -3.797 8.707 8.952 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.541 5.935 8.739 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.601 4.506 8.230 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.269 4.398 6.873 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -5.479 4.201 6.777 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -3.479 4.532 5.813 1.00 1.05 N ATOM 0 H GLN A 78 -0.963 6.035 8.633 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.142 6.865 6.842 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.114 5.937 9.742 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.555 6.325 8.823 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.590 4.104 8.166 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.144 3.891 8.948 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -2.480 4.694 5.939 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -3.872 4.472 4.874 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.694 9.036 8.219 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.652 10.407 8.699 1.00 0.48 C ATOM 1148 C GLY A 79 -0.433 11.163 8.209 1.00 0.41 C ATOM 1149 O GLY A 79 -0.103 12.226 8.738 1.00 0.55 O ATOM 0 H GLY A 79 -0.843 8.716 7.758 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.552 10.929 8.374 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.660 10.406 9.789 1.00 0.48 H new ATOM 1153 N MET A 80 0.239 10.621 7.199 1.00 0.32 N ATOM 1154 CA MET A 80 1.428 11.259 6.643 1.00 0.33 C ATOM 1155 C MET A 80 1.212 11.637 5.183 1.00 0.30 C ATOM 1156 O MET A 80 0.568 10.907 4.431 1.00 0.34 O ATOM 1157 CB MET A 80 2.636 10.328 6.766 1.00 0.39 C ATOM 1158 CG MET A 80 2.894 9.846 8.185 1.00 0.46 C ATOM 1159 SD MET A 80 4.457 8.961 8.348 1.00 0.52 S ATOM 1160 CE MET A 80 4.254 7.674 7.118 1.00 0.48 C ATOM 0 H MET A 80 -0.018 9.743 6.749 1.00 0.32 H new ATOM 0 HA MET A 80 1.619 12.170 7.211 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.484 9.463 6.120 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.522 10.847 6.401 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.894 10.702 8.860 1.00 0.46 H new ATOM 0 HG3 MET A 80 2.078 9.194 8.497 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.505 6.708 7.557 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.219 7.658 6.775 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.913 7.871 6.273 1.00 0.48 H new ATOM 1170 N ALA A 81 1.754 12.786 4.790 1.00 0.29 N ATOM 1171 CA ALA A 81 1.626 13.262 3.419 1.00 0.31 C ATOM 1172 C ALA A 81 2.369 12.349 2.453 1.00 0.26 C ATOM 1173 O ALA A 81 3.188 11.531 2.869 1.00 0.23 O ATOM 1174 CB ALA A 81 2.140 14.690 3.303 1.00 0.39 C ATOM 0 H ALA A 81 2.286 13.404 5.403 1.00 0.29 H new ATOM 0 HA ALA A 81 0.569 13.248 3.152 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.038 15.031 2.273 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.561 15.340 3.960 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.190 14.723 3.594 1.00 0.39 H new ATOM 1180 N GLN A 82 2.080 12.495 1.164 1.00 0.33 N ATOM 1181 CA GLN A 82 2.717 11.679 0.134 1.00 0.35 C ATOM 1182 C GLN A 82 4.235 11.672 0.290 1.00 0.31 C ATOM 1183 O GLN A 82 4.848 10.611 0.422 1.00 0.31 O ATOM 1184 CB GLN A 82 2.340 12.198 -1.255 1.00 0.42 C ATOM 1185 CG GLN A 82 2.931 11.380 -2.392 1.00 0.51 C ATOM 1186 CD GLN A 82 2.573 11.936 -3.756 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.288 12.775 -4.304 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.461 11.470 -4.311 1.00 0.74 N ATOM 0 H GLN A 82 1.407 13.173 0.806 1.00 0.33 H new ATOM 0 HA GLN A 82 2.359 10.656 0.249 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.254 12.204 -1.349 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.674 13.231 -1.350 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.016 11.351 -2.289 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.576 10.352 -2.318 1.00 0.51 H new ATOM 0 HE21 GLN A 82 0.899 10.775 -3.820 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.169 11.807 -5.228 1.00 0.74 H new ATOM 1197 N SER A 83 4.833 12.860 0.279 1.00 0.32 N ATOM 1198 CA SER A 83 6.282 12.996 0.408 1.00 0.35 C ATOM 1199 C SER A 83 6.808 12.239 1.626 1.00 0.30 C ATOM 1200 O SER A 83 7.867 11.613 1.566 1.00 0.35 O ATOM 1201 CB SER A 83 6.668 14.474 0.508 1.00 0.44 C ATOM 1202 OG SER A 83 8.072 14.626 0.631 1.00 1.48 O ATOM 0 H SER A 83 4.335 13.745 0.182 1.00 0.32 H new ATOM 0 HA SER A 83 6.737 12.563 -0.483 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.317 15.006 -0.377 1.00 0.44 H new ATOM 0 HB3 SER A 83 6.173 14.925 1.368 1.00 0.44 H new ATOM 0 HG SER A 83 8.294 15.579 0.692 1.00 1.48 H new ATOM 1208 N ASP A 84 6.067 12.300 2.727 1.00 0.24 N ATOM 1209 CA ASP A 84 6.466 11.619 3.954 1.00 0.24 C ATOM 1210 C ASP A 84 6.484 10.105 3.762 1.00 0.20 C ATOM 1211 O ASP A 84 7.443 9.433 4.148 1.00 0.24 O ATOM 1212 CB ASP A 84 5.522 11.992 5.098 1.00 0.27 C ATOM 1213 CG ASP A 84 5.614 13.460 5.469 1.00 1.03 C ATOM 1214 OD1 ASP A 84 6.467 13.807 6.313 1.00 0.97 O ATOM 1215 OD2 ASP A 84 4.833 14.262 4.916 1.00 2.12 O ATOM 0 H ASP A 84 5.188 12.813 2.795 1.00 0.24 H new ATOM 0 HA ASP A 84 7.476 11.942 4.205 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.497 11.756 4.811 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.756 11.384 5.972 1.00 0.27 H new ATOM 1220 N VAL A 85 5.421 9.574 3.165 1.00 0.19 N ATOM 1221 CA VAL A 85 5.317 8.139 2.923 1.00 0.22 C ATOM 1222 C VAL A 85 6.486 7.644 2.077 1.00 0.21 C ATOM 1223 O VAL A 85 6.943 6.511 2.234 1.00 0.24 O ATOM 1224 CB VAL A 85 3.991 7.783 2.221 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.874 6.279 2.022 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.808 8.311 3.018 1.00 0.30 C ATOM 0 H VAL A 85 4.620 10.116 2.840 1.00 0.19 H new ATOM 0 HA VAL A 85 5.343 7.646 3.895 1.00 0.22 H new ATOM 0 HB VAL A 85 3.985 8.258 1.240 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.931 6.050 1.525 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.703 5.928 1.407 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.904 5.780 2.991 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.880 8.051 2.508 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.812 7.866 4.013 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.882 9.395 3.105 1.00 0.30 H new ATOM 1236 N VAL A 86 6.967 8.503 1.182 1.00 0.22 N ATOM 1237 CA VAL A 86 8.086 8.156 0.315 1.00 0.25 C ATOM 1238 C VAL A 86 9.379 8.028 1.117 1.00 0.24 C ATOM 1239 O VAL A 86 10.163 7.106 0.898 1.00 0.26 O ATOM 1240 CB VAL A 86 8.279 9.204 -0.800 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.461 8.839 -1.687 1.00 0.37 C ATOM 1242 CG2 VAL A 86 7.009 9.338 -1.627 1.00 0.34 C ATOM 0 H VAL A 86 6.599 9.443 1.039 1.00 0.22 H new ATOM 0 HA VAL A 86 7.851 7.195 -0.143 1.00 0.25 H new ATOM 0 HB VAL A 86 8.491 10.166 -0.333 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.578 9.592 -2.466 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.368 8.796 -1.085 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.284 7.866 -2.146 1.00 0.37 H new ATOM 0 HG21 VAL A 86 7.161 10.081 -2.410 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.767 8.377 -2.081 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.187 9.652 -0.983 1.00 0.34 H new ATOM 1252 N GLU A 87 9.592 8.953 2.049 1.00 0.25 N ATOM 1253 CA GLU A 87 10.791 8.935 2.883 1.00 0.26 C ATOM 1254 C GLU A 87 10.915 7.609 3.624 1.00 0.24 C ATOM 1255 O GLU A 87 11.986 7.002 3.657 1.00 0.26 O ATOM 1256 CB GLU A 87 10.769 10.092 3.882 1.00 0.32 C ATOM 1257 CG GLU A 87 10.811 11.463 3.227 1.00 0.75 C ATOM 1258 CD GLU A 87 10.803 12.595 4.237 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.889 12.942 4.746 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.711 13.132 4.517 1.00 1.51 O ATOM 0 H GLU A 87 8.952 9.723 2.246 1.00 0.25 H new ATOM 0 HA GLU A 87 11.656 9.051 2.230 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.869 10.017 4.492 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.620 9.995 4.557 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.706 11.539 2.610 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.955 11.569 2.561 1.00 0.75 H new ATOM 1267 N VAL A 88 9.813 7.164 4.221 1.00 0.22 N ATOM 1268 CA VAL A 88 9.795 5.906 4.958 1.00 0.22 C ATOM 1269 C VAL A 88 10.182 4.738 4.056 1.00 0.23 C ATOM 1270 O VAL A 88 11.122 3.995 4.348 1.00 0.25 O ATOM 1271 CB VAL A 88 8.404 5.629 5.564 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.330 4.216 6.126 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.078 6.655 6.640 1.00 0.27 C ATOM 0 H VAL A 88 8.920 7.657 4.208 1.00 0.22 H new ATOM 0 HA VAL A 88 10.523 6.000 5.764 1.00 0.22 H new ATOM 0 HB VAL A 88 7.662 5.715 4.771 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.340 4.044 6.548 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.515 3.497 5.328 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.083 4.094 6.905 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.093 6.445 7.057 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.826 6.602 7.431 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.081 7.654 6.203 1.00 0.27 H new ATOM 1283 N LEU A 89 9.449 4.584 2.959 1.00 0.24 N ATOM 1284 CA LEU A 89 9.701 3.506 2.014 1.00 0.28 C ATOM 1285 C LEU A 89 11.123 3.573 1.460 1.00 0.32 C ATOM 1286 O LEU A 89 11.655 2.573 0.981 1.00 0.39 O ATOM 1287 CB LEU A 89 8.686 3.556 0.869 1.00 0.32 C ATOM 1288 CG LEU A 89 7.228 3.347 1.284 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.294 3.658 0.125 1.00 0.41 C ATOM 1290 CD2 LEU A 89 7.012 1.921 1.772 1.00 0.35 C ATOM 0 H LEU A 89 8.673 5.195 2.703 1.00 0.24 H new ATOM 0 HA LEU A 89 9.591 2.562 2.547 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.771 4.522 0.371 1.00 0.32 H new ATOM 0 HB3 LEU A 89 8.951 2.795 0.135 1.00 0.32 H new ATOM 0 HG LEU A 89 7.002 4.031 2.102 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.261 3.504 0.438 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.429 4.695 -0.183 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.521 2.998 -0.713 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.970 1.790 2.063 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.256 1.222 0.972 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.655 1.729 2.631 1.00 0.35 H new ATOM 1302 N ARG A 90 11.731 4.755 1.521 1.00 0.31 N ATOM 1303 CA ARG A 90 13.093 4.936 1.026 1.00 0.37 C ATOM 1304 C ARG A 90 14.119 4.652 2.119 1.00 0.37 C ATOM 1305 O ARG A 90 15.279 4.355 1.830 1.00 0.48 O ATOM 1306 CB ARG A 90 13.287 6.353 0.482 1.00 0.41 C ATOM 1307 CG ARG A 90 12.597 6.595 -0.852 1.00 0.49 C ATOM 1308 CD ARG A 90 12.944 7.961 -1.421 1.00 0.72 C ATOM 1309 NE ARG A 90 12.585 9.043 -0.508 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.897 10.319 -0.714 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.571 10.675 -1.800 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.535 11.242 0.168 1.00 2.10 N ATOM 0 H ARG A 90 11.305 5.598 1.906 1.00 0.31 H new ATOM 0 HA ARG A 90 13.247 4.223 0.216 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.908 7.068 1.212 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.354 6.547 0.370 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.890 5.820 -1.560 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.517 6.517 -0.723 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.012 8.005 -1.632 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.426 8.101 -2.370 1.00 0.72 H new ATOM 0 HE ARG A 90 12.065 8.806 0.337 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.852 9.969 -2.480 1.00 1.82 H new ATOM 0 HH12 ARG A 90 13.808 11.655 -1.954 1.00 1.82 H new ATOM 0 HH21 ARG A 90 12.017 10.973 1.005 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.775 12.221 0.009 1.00 2.10 H new ATOM 1326 N ASN A 91 13.689 4.743 3.375 1.00 0.32 N ATOM 1327 CA ASN A 91 14.577 4.493 4.506 1.00 0.36 C ATOM 1328 C ASN A 91 14.617 3.007 4.852 1.00 0.36 C ATOM 1329 O ASN A 91 15.504 2.554 5.576 1.00 0.42 O ATOM 1330 CB ASN A 91 14.130 5.301 5.727 1.00 0.38 C ATOM 1331 CG ASN A 91 14.239 6.796 5.504 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.102 7.264 4.761 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.361 7.556 6.149 1.00 1.14 N ATOM 0 H ASN A 91 12.733 4.987 3.634 1.00 0.32 H new ATOM 0 HA ASN A 91 15.580 4.808 4.220 1.00 0.36 H new ATOM 0 HB2 ASN A 91 13.098 5.047 5.969 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.737 5.020 6.587 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.385 8.570 6.038 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.662 7.126 6.755 1.00 1.14 H new ATOM 1340 N ALA A 92 13.648 2.256 4.335 1.00 0.32 N ATOM 1341 CA ALA A 92 13.573 0.819 4.586 1.00 0.34 C ATOM 1342 C ALA A 92 14.857 0.110 4.154 1.00 0.46 C ATOM 1343 O ALA A 92 15.775 -0.069 4.955 1.00 0.55 O ATOM 1344 CB ALA A 92 12.371 0.221 3.869 1.00 0.32 C ATOM 0 H ALA A 92 12.904 2.619 3.739 1.00 0.32 H new ATOM 0 HA ALA A 92 13.455 0.671 5.660 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.327 -0.850 4.064 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.458 0.694 4.232 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.466 0.391 2.796 1.00 0.32 H new ATOM 1350 N GLY A 93 14.917 -0.290 2.886 1.00 0.53 N ATOM 1351 CA GLY A 93 16.094 -0.975 2.376 1.00 0.68 C ATOM 1352 C GLY A 93 16.359 -2.288 3.088 1.00 0.66 C ATOM 1353 O GLY A 93 17.485 -2.785 3.084 1.00 0.76 O ATOM 0 H GLY A 93 14.172 -0.152 2.203 1.00 0.53 H new ATOM 0 HA2 GLY A 93 15.967 -1.163 1.310 1.00 0.68 H new ATOM 0 HA3 GLY A 93 16.963 -0.326 2.484 1.00 0.68 H new ATOM 1357 N ASN A 94 15.323 -2.839 3.710 1.00 0.54 N ATOM 1358 CA ASN A 94 15.440 -4.099 4.437 1.00 0.54 C ATOM 1359 C ASN A 94 14.137 -4.899 4.354 1.00 0.43 C ATOM 1360 O ASN A 94 13.155 -4.416 3.791 1.00 0.39 O ATOM 1361 CB ASN A 94 15.808 -3.810 5.897 1.00 0.59 C ATOM 1362 CG ASN A 94 17.294 -3.564 6.073 1.00 1.57 C ATOM 1363 OD1 ASN A 94 18.104 -4.240 5.266 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 17.708 -2.779 6.927 1.00 2.52 N flip ATOM 0 H ASN A 94 14.388 -2.431 3.726 1.00 0.54 H new ATOM 0 HA ASN A 94 16.226 -4.701 3.982 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.253 -2.939 6.245 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.504 -4.651 6.520 1.00 0.59 H new ATOM 0 HD21 ASN A 94 17.048 -2.281 7.525 1.00 2.52 H new ATOM 0 HD22 ASN A 94 18.711 -2.626 7.036 1.00 2.52 H new ATOM 1371 N PRO A 95 14.115 -6.151 4.868 1.00 0.41 N ATOM 1372 CA PRO A 95 12.900 -6.976 4.864 1.00 0.35 C ATOM 1373 C PRO A 95 11.757 -6.305 5.622 1.00 0.32 C ATOM 1374 O PRO A 95 11.608 -6.487 6.831 1.00 0.45 O ATOM 1375 CB PRO A 95 13.329 -8.266 5.572 1.00 0.44 C ATOM 1376 CG PRO A 95 14.812 -8.305 5.434 1.00 0.64 C ATOM 1377 CD PRO A 95 15.265 -6.874 5.449 1.00 0.51 C ATOM 0 HA PRO A 95 12.524 -7.144 3.855 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.030 -8.259 6.620 1.00 0.44 H new ATOM 0 HB3 PRO A 95 12.867 -9.140 5.114 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.266 -8.867 6.251 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.105 -8.798 4.507 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.487 -6.532 6.460 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.170 -6.732 4.859 1.00 0.51 H new ATOM 1385 N VAL A 96 10.952 -5.531 4.902 1.00 0.28 N ATOM 1386 CA VAL A 96 9.830 -4.820 5.504 1.00 0.33 C ATOM 1387 C VAL A 96 8.494 -5.478 5.172 1.00 0.28 C ATOM 1388 O VAL A 96 8.352 -6.142 4.145 1.00 0.30 O ATOM 1389 CB VAL A 96 9.788 -3.353 5.038 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.999 -2.594 5.553 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.712 -3.280 3.520 1.00 0.38 C ATOM 0 H VAL A 96 11.056 -5.380 3.899 1.00 0.28 H new ATOM 0 HA VAL A 96 9.984 -4.859 6.582 1.00 0.33 H new ATOM 0 HB VAL A 96 8.893 -2.885 5.449 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.951 -1.559 5.213 1.00 0.64 H new ATOM 0 HG12 VAL A 96 11.007 -2.618 6.643 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.909 -3.059 5.173 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.683 -2.236 3.207 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.588 -3.764 3.088 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.811 -3.787 3.176 1.00 0.38 H new ATOM 1401 N ARG A 97 7.520 -5.282 6.055 1.00 0.24 N ATOM 1402 CA ARG A 97 6.186 -5.839 5.873 1.00 0.22 C ATOM 1403 C ARG A 97 5.243 -4.780 5.313 1.00 0.18 C ATOM 1404 O ARG A 97 5.356 -3.597 5.642 1.00 0.18 O ATOM 1405 CB ARG A 97 5.648 -6.370 7.204 1.00 0.27 C ATOM 1406 CG ARG A 97 4.260 -6.982 7.104 1.00 0.69 C ATOM 1407 CD ARG A 97 3.738 -7.407 8.467 1.00 0.71 C ATOM 1408 NE ARG A 97 3.705 -6.295 9.412 1.00 1.21 N ATOM 1409 CZ ARG A 97 3.221 -6.387 10.647 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.725 -7.536 11.086 1.00 0.88 N ATOM 1411 NH2 ARG A 97 3.233 -5.328 11.445 1.00 2.37 N ATOM 0 H ARG A 97 7.632 -4.737 6.910 1.00 0.24 H new ATOM 0 HA ARG A 97 6.248 -6.664 5.164 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.338 -7.119 7.591 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.624 -5.555 7.927 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.574 -6.260 6.660 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.289 -7.845 6.439 1.00 0.69 H new ATOM 0 HD2 ARG A 97 2.735 -7.820 8.358 1.00 0.71 H new ATOM 0 HD3 ARG A 97 4.369 -8.202 8.865 1.00 0.71 H new ATOM 0 HE ARG A 97 4.075 -5.395 9.107 1.00 1.21 H new ATOM 0 HH11 ARG A 97 2.714 -8.353 10.476 1.00 0.88 H new ATOM 0 HH12 ARG A 97 2.355 -7.603 12.034 1.00 0.88 H new ATOM 0 HH21 ARG A 97 3.614 -4.442 11.111 1.00 2.37 H new ATOM 0 HH22 ARG A 97 2.862 -5.399 12.392 1.00 2.37 H new ATOM 1425 N LEU A 98 4.314 -5.209 4.466 1.00 0.19 N ATOM 1426 CA LEU A 98 3.356 -4.295 3.854 1.00 0.18 C ATOM 1427 C LEU A 98 1.922 -4.685 4.198 1.00 0.18 C ATOM 1428 O LEU A 98 1.394 -5.668 3.675 1.00 0.30 O ATOM 1429 CB LEU A 98 3.534 -4.289 2.334 1.00 0.23 C ATOM 1430 CG LEU A 98 4.956 -4.011 1.837 1.00 0.25 C ATOM 1431 CD1 LEU A 98 5.039 -4.210 0.332 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.389 -2.602 2.212 1.00 0.37 C ATOM 0 H LEU A 98 4.204 -6.184 4.187 1.00 0.19 H new ATOM 0 HA LEU A 98 3.546 -3.297 4.249 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.214 -5.256 1.945 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.867 -3.538 1.911 1.00 0.23 H new ATOM 0 HG LEU A 98 5.633 -4.717 2.318 1.00 0.25 H new ATOM 0 HD11 LEU A 98 6.056 -4.009 -0.006 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.771 -5.237 0.086 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.350 -3.527 -0.164 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.402 -2.424 1.850 1.00 0.37 H new ATOM 0 HD22 LEU A 98 4.710 -1.880 1.759 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.366 -2.491 3.296 1.00 0.37 H new ATOM 1444 N LEU A 99 1.295 -3.913 5.082 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.083 -4.173 5.482 1.00 0.19 C ATOM 1446 C LEU A 99 -1.033 -3.256 4.718 1.00 0.19 C ATOM 1447 O LEU A 99 -1.095 -2.054 4.981 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.252 -3.968 6.990 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.565 -4.493 7.575 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -1.627 -6.010 7.480 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.724 -4.042 9.020 1.00 0.36 C ATOM 0 H LEU A 99 1.720 -3.103 5.534 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.323 -5.209 5.244 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.577 -4.457 7.502 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.177 -2.902 7.207 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.388 -4.080 6.992 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -2.568 -6.363 7.901 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -1.561 -6.312 6.435 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -0.796 -6.444 8.036 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.663 -4.425 9.419 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.894 -4.425 9.614 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.729 -2.953 9.063 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.771 -3.825 3.770 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.701 -3.046 2.962 1.00 0.23 C ATOM 1465 C LEU A 100 -4.044 -3.754 2.815 1.00 0.24 C ATOM 1466 O LEU A 100 -4.159 -4.952 3.070 1.00 0.30 O ATOM 1467 CB LEU A 100 -2.093 -2.775 1.581 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.135 -3.853 1.066 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.871 -5.159 0.815 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.438 -3.382 -0.201 1.00 0.31 C ATOM 0 H LEU A 100 -1.743 -4.819 3.543 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.879 -2.099 3.472 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.904 -2.659 0.862 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.560 -1.825 1.617 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.381 -4.032 1.832 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.169 -5.908 0.450 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.322 -5.507 1.744 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.651 -5.000 0.071 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.239 -4.160 -0.554 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.182 -3.173 -0.969 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.129 -2.476 0.011 1.00 0.31 H new ATOM 1482 N ILE A 101 -5.058 -2.998 2.403 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.396 -3.542 2.217 1.00 0.29 C ATOM 1484 C ILE A 101 -6.866 -3.356 0.776 1.00 0.32 C ATOM 1485 O ILE A 101 -6.610 -2.321 0.156 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.408 -2.881 3.176 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.802 -3.486 2.984 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.436 -1.375 2.958 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.818 -3.003 3.997 1.00 0.45 C ATOM 0 H ILE A 101 -4.976 -2.004 2.191 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.344 -4.607 2.441 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.094 -3.073 4.202 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.158 -3.246 1.982 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.729 -4.572 3.045 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.154 -0.922 3.641 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.445 -0.962 3.146 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.729 -1.162 1.930 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.781 -3.473 3.799 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.485 -3.267 5.001 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.921 -1.920 3.922 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.554 -4.365 0.250 1.00 0.39 N ATOM 1502 CA ARG A 102 -8.060 -4.318 -1.117 1.00 0.46 C ATOM 1503 C ARG A 102 -9.486 -4.856 -1.185 1.00 0.60 C ATOM 1504 O ARG A 102 -9.800 -5.884 -0.584 1.00 0.81 O ATOM 1505 CB ARG A 102 -7.150 -5.125 -2.048 1.00 0.70 C ATOM 1506 CG ARG A 102 -7.620 -5.154 -3.495 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.617 -3.765 -4.114 1.00 1.35 C ATOM 1508 NE ARG A 102 -8.031 -3.788 -5.514 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.717 -2.811 -6.098 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.077 -1.742 -5.400 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -9.048 -2.903 -7.378 1.00 2.20 N ATOM 0 H ARG A 102 -7.774 -5.226 0.751 1.00 0.39 H new ATOM 0 HA ARG A 102 -8.067 -3.278 -1.442 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.145 -4.705 -2.011 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.082 -6.148 -1.677 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -6.973 -5.812 -4.075 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -8.626 -5.572 -3.543 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.285 -3.115 -3.549 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.617 -3.337 -4.039 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.779 -4.601 -6.076 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -8.827 -1.669 -4.414 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -9.603 -0.993 -5.850 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.776 -3.725 -7.917 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.575 -2.152 -7.824 1.00 2.20 H new