USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 477 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= -0.0569 (180deg=-1.78!) USER MOD Single : A 13 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.052) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -18.2! C(o=-18!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.679 (180deg=-1.61!) USER MOD Single : A 37 SER OG : rot -159:sc= -1.58! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.67 X(o=-2.7,f=-3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -127:sc= 0.00107 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.0065) USER MOD Single : A 61 THR OG1 : rot -72:sc= 0.605 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.304 -6.356 1.713 1.00 0.00 N ATOM 121 CA LEU A 9 -8.760 -5.195 2.397 1.00 0.00 C ATOM 122 C LEU A 9 -8.392 -4.122 1.391 1.00 0.00 C ATOM 123 O LEU A 9 -7.880 -4.421 0.314 1.00 0.00 O ATOM 124 CB LEU A 9 -7.536 -5.586 3.226 1.00 0.00 C ATOM 125 CG LEU A 9 -7.841 -6.384 4.496 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.727 -7.378 4.783 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.040 -5.446 5.676 1.00 0.00 C ATOM 0 HA LEU A 9 -9.521 -4.800 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.864 -6.173 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.000 -4.679 3.505 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.764 -6.942 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.962 -7.936 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.632 -8.069 3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.788 -6.842 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.256 -6.029 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.133 -4.862 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.873 -4.774 5.470 1.00 0.00 H new ATOM 139 N TYR A 10 -8.640 -2.872 1.747 1.00 0.00 N ATOM 140 CA TYR A 10 -8.322 -1.766 0.869 1.00 0.00 C ATOM 141 C TYR A 10 -7.042 -1.095 1.328 1.00 0.00 C ATOM 142 O TYR A 10 -7.019 -0.390 2.338 1.00 0.00 O ATOM 143 CB TYR A 10 -9.479 -0.769 0.831 1.00 0.00 C ATOM 144 CG TYR A 10 -10.816 -1.426 0.563 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.133 -1.902 -0.700 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.754 -1.573 1.573 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.349 -2.508 -0.952 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.975 -2.177 1.332 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.267 -2.644 0.067 1.00 0.00 C ATOM 150 OH TYR A 10 -14.479 -3.246 -0.177 1.00 0.00 O ATOM 0 H TYR A 10 -9.060 -2.602 2.637 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.170 -2.144 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.525 -0.238 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.285 -0.024 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.417 -1.797 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.528 -1.210 2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.579 -2.873 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.696 -2.282 2.130 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.008 -3.262 0.648 1.00 0.00 H new ATOM 160 N LYS A 11 -5.975 -1.319 0.576 1.00 0.00 N ATOM 161 CA LYS A 11 -4.678 -0.735 0.898 1.00 0.00 C ATOM 162 C LYS A 11 -4.134 0.051 -0.287 1.00 0.00 C ATOM 163 O LYS A 11 -4.481 -0.231 -1.435 1.00 0.00 O ATOM 164 CB LYS A 11 -3.691 -1.833 1.298 1.00 0.00 C ATOM 165 CG LYS A 11 -4.279 -2.860 2.252 1.00 0.00 C ATOM 166 CD LYS A 11 -3.344 -4.042 2.446 1.00 0.00 C ATOM 167 CE LYS A 11 -3.913 -5.046 3.434 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.700 -4.620 4.843 1.00 0.00 N ATOM 0 H LYS A 11 -5.980 -1.901 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.807 -0.051 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.342 -2.342 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.819 -1.374 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.478 -2.391 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.235 -3.211 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.171 -4.531 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.377 -3.687 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.980 -5.171 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.446 -6.018 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.512 -5.455 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.888 -3.972 4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.551 -4.135 5.191 1.00 0.00 H new ATOM 182 N VAL A 12 -3.279 1.034 -0.017 1.00 0.00 N ATOM 183 CA VAL A 12 -2.706 1.841 -1.089 1.00 0.00 C ATOM 184 C VAL A 12 -1.230 1.498 -1.276 1.00 0.00 C ATOM 185 O VAL A 12 -0.506 1.334 -0.304 1.00 0.00 O ATOM 186 CB VAL A 12 -2.850 3.364 -0.829 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.177 4.097 -2.112 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.917 3.668 0.212 1.00 0.00 C ATOM 0 H VAL A 12 -2.971 1.288 0.922 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.265 1.604 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.891 3.710 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.274 5.163 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.378 3.937 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.115 3.719 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.983 4.746 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.880 3.290 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.654 3.186 1.154 1.00 0.00 H new ATOM 198 N GLN A 13 -0.793 1.375 -2.526 1.00 0.00 N ATOM 199 CA GLN A 13 0.598 1.036 -2.824 1.00 0.00 C ATOM 200 C GLN A 13 1.192 2.007 -3.839 1.00 0.00 C ATOM 201 O GLN A 13 0.547 2.354 -4.826 1.00 0.00 O ATOM 202 CB GLN A 13 0.697 -0.396 -3.350 1.00 0.00 C ATOM 203 CG GLN A 13 2.106 -0.963 -3.310 1.00 0.00 C ATOM 204 CD GLN A 13 2.403 -1.872 -4.487 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.808 -3.021 -4.313 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.201 -1.360 -5.695 1.00 0.00 N ATOM 0 H GLN A 13 -1.381 1.505 -3.350 1.00 0.00 H new ATOM 0 HA GLN A 13 1.169 1.114 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.040 -1.036 -2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.333 -0.423 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.824 -0.143 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.244 -1.519 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.864 -0.402 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.382 -1.924 -6.525 1.00 0.00 H new ATOM 215 N ILE A 14 2.415 2.462 -3.580 1.00 0.00 N ATOM 216 CA ILE A 14 3.066 3.414 -4.474 1.00 0.00 C ATOM 217 C ILE A 14 4.179 2.790 -5.313 1.00 0.00 C ATOM 218 O ILE A 14 4.734 3.459 -6.186 1.00 0.00 O ATOM 219 CB ILE A 14 3.640 4.616 -3.701 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.592 4.131 -2.599 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.513 5.468 -3.136 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.081 4.350 -1.192 1.00 0.00 C ATOM 0 H ILE A 14 2.970 2.191 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 14 2.281 3.750 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 14 4.214 5.241 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.782 3.067 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.548 4.644 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.934 6.314 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.890 5.835 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.907 4.867 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.815 3.979 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.918 5.415 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.141 3.814 -1.059 1.00 0.00 H new ATOM 234 N GLY A 15 4.505 1.517 -5.081 1.00 0.00 N ATOM 235 CA GLY A 15 5.548 0.898 -5.887 1.00 0.00 C ATOM 236 C GLY A 15 6.179 -0.335 -5.264 1.00 0.00 C ATOM 237 O GLY A 15 5.925 -0.669 -4.108 1.00 0.00 O ATOM 0 H GLY A 15 4.081 0.919 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.127 0.625 -6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.329 1.635 -6.075 1.00 0.00 H new ATOM 241 N ALA A 16 7.036 -0.984 -6.051 1.00 0.00 N ATOM 242 CA ALA A 16 7.771 -2.167 -5.620 1.00 0.00 C ATOM 243 C ALA A 16 9.090 -2.249 -6.387 1.00 0.00 C ATOM 244 O ALA A 16 9.143 -1.896 -7.567 1.00 0.00 O ATOM 245 CB ALA A 16 6.943 -3.429 -5.830 1.00 0.00 C ATOM 0 H ALA A 16 7.239 -0.701 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 16 7.981 -2.087 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.514 -4.297 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.021 -3.360 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.701 -3.534 -6.888 1.00 0.00 H new ATOM 251 N PHE A 17 10.153 -2.700 -5.734 1.00 0.00 N ATOM 252 CA PHE A 17 11.455 -2.800 -6.393 1.00 0.00 C ATOM 253 C PHE A 17 12.286 -3.934 -5.811 1.00 0.00 C ATOM 254 O PHE A 17 12.189 -4.243 -4.627 1.00 0.00 O ATOM 255 CB PHE A 17 12.224 -1.482 -6.269 1.00 0.00 C ATOM 256 CG PHE A 17 11.360 -0.261 -6.407 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.710 0.269 -5.305 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.200 0.358 -7.637 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.917 1.393 -5.427 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.409 1.482 -7.766 1.00 0.00 C ATOM 261 CZ PHE A 17 9.766 2.002 -6.658 1.00 0.00 C ATOM 0 H PHE A 17 10.144 -3.000 -4.759 1.00 0.00 H new ATOM 0 HA PHE A 17 11.273 -3.012 -7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.725 -1.454 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.002 -1.453 -7.032 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.824 -0.202 -4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.701 -0.044 -8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.415 1.796 -4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.293 1.954 -8.730 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.147 2.882 -6.754 1.00 0.00 H new ATOM 271 N LYS A 18 13.114 -4.542 -6.653 1.00 0.00 N ATOM 272 CA LYS A 18 13.973 -5.639 -6.224 1.00 0.00 C ATOM 273 C LYS A 18 14.940 -5.200 -5.126 1.00 0.00 C ATOM 274 O LYS A 18 15.568 -6.038 -4.475 1.00 0.00 O ATOM 275 CB LYS A 18 14.757 -6.190 -7.416 1.00 0.00 C ATOM 276 CG LYS A 18 15.622 -5.151 -8.110 1.00 0.00 C ATOM 277 CD LYS A 18 16.167 -5.668 -9.431 1.00 0.00 C ATOM 278 CE LYS A 18 17.592 -5.195 -9.670 1.00 0.00 C ATOM 279 NZ LYS A 18 17.942 -5.197 -11.117 1.00 0.00 N ATOM 0 H LYS A 18 13.208 -4.293 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 18 13.333 -6.421 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.391 -7.009 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.056 -6.608 -8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.037 -4.248 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.450 -4.872 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.139 -6.758 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.528 -5.329 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.713 -4.189 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.284 -5.839 -9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.921 -4.868 -11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.852 -6.162 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.298 -4.562 -11.631 1.00 0.00 H new ATOM 293 N VAL A 19 15.072 -3.891 -4.927 1.00 0.00 N ATOM 294 CA VAL A 19 15.977 -3.367 -3.913 1.00 0.00 C ATOM 295 C VAL A 19 15.228 -2.833 -2.695 1.00 0.00 C ATOM 296 O VAL A 19 14.360 -1.969 -2.810 1.00 0.00 O ATOM 297 CB VAL A 19 16.861 -2.242 -4.480 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.936 -1.847 -3.480 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.482 -2.665 -5.803 1.00 0.00 C ATOM 0 H VAL A 19 14.566 -3.178 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 19 16.602 -4.205 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 19 16.232 -1.371 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.550 -1.050 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.467 -1.496 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.564 -2.711 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.103 -1.857 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.096 -3.553 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.693 -2.889 -6.520 1.00 0.00 H new ATOM 309 N LYS A 20 15.582 -3.358 -1.525 1.00 0.00 N ATOM 310 CA LYS A 20 14.968 -2.949 -0.272 1.00 0.00 C ATOM 311 C LYS A 20 15.287 -1.494 0.030 1.00 0.00 C ATOM 312 O LYS A 20 14.404 -0.729 0.410 1.00 0.00 O ATOM 313 CB LYS A 20 15.460 -3.836 0.872 1.00 0.00 C ATOM 314 CG LYS A 20 14.798 -3.530 2.207 1.00 0.00 C ATOM 315 CD LYS A 20 15.822 -3.394 3.323 1.00 0.00 C ATOM 316 CE LYS A 20 16.114 -1.936 3.637 1.00 0.00 C ATOM 317 NZ LYS A 20 17.352 -1.779 4.450 1.00 0.00 N ATOM 0 H LYS A 20 16.300 -4.076 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 20 13.888 -3.058 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.277 -4.880 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.539 -3.717 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.223 -2.607 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.093 -4.324 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.453 -3.893 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.745 -3.897 3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.218 -1.378 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.270 -1.504 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.515 -0.770 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.244 -2.290 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.163 -2.167 3.927 1.00 0.00 H new ATOM 331 N ALA A 21 16.548 -1.106 -0.152 1.00 0.00 N ATOM 332 CA ALA A 21 16.959 0.269 0.095 1.00 0.00 C ATOM 333 C ALA A 21 16.069 1.224 -0.690 1.00 0.00 C ATOM 334 O ALA A 21 15.786 2.340 -0.249 1.00 0.00 O ATOM 335 CB ALA A 21 18.419 0.466 -0.284 1.00 0.00 C ATOM 0 H ALA A 21 17.297 -1.723 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 21 16.853 0.483 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.708 1.499 -0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.043 -0.202 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.554 0.242 -1.342 1.00 0.00 H new ATOM 341 N ASN A 22 15.611 0.760 -1.848 1.00 0.00 N ATOM 342 CA ASN A 22 14.729 1.550 -2.688 1.00 0.00 C ATOM 343 C ASN A 22 13.317 1.508 -2.126 1.00 0.00 C ATOM 344 O ASN A 22 12.586 2.499 -2.175 1.00 0.00 O ATOM 345 CB ASN A 22 14.740 1.022 -4.125 1.00 0.00 C ATOM 346 CG ASN A 22 15.883 1.594 -4.942 1.00 0.00 C ATOM 347 OD1 ASN A 22 15.670 2.153 -6.017 1.00 0.00 O ATOM 348 ND2 ASN A 22 17.101 1.457 -4.433 1.00 0.00 N ATOM 0 H ASN A 22 15.838 -0.161 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 22 15.082 2.581 -2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.817 -0.065 -4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.794 1.268 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.909 1.823 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.229 0.986 -3.538 1.00 0.00 H new ATOM 355 N ALA A 23 12.941 0.355 -1.573 1.00 0.00 N ATOM 356 CA ALA A 23 11.615 0.197 -0.988 1.00 0.00 C ATOM 357 C ALA A 23 11.504 0.975 0.326 1.00 0.00 C ATOM 358 O ALA A 23 10.405 1.306 0.771 1.00 0.00 O ATOM 359 CB ALA A 23 11.305 -1.275 -0.765 1.00 0.00 C ATOM 0 H ALA A 23 13.532 -0.475 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 23 10.883 0.603 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.312 -1.375 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.337 -1.802 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.044 -1.704 -0.089 1.00 0.00 H new ATOM 365 N ASP A 24 12.652 1.265 0.936 1.00 0.00 N ATOM 366 CA ASP A 24 12.691 2.005 2.190 1.00 0.00 C ATOM 367 C ASP A 24 12.597 3.504 1.932 1.00 0.00 C ATOM 368 O ASP A 24 11.941 4.233 2.675 1.00 0.00 O ATOM 369 CB ASP A 24 13.975 1.683 2.959 1.00 0.00 C ATOM 370 CG ASP A 24 13.707 1.320 4.406 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.561 2.244 5.233 1.00 0.00 O ATOM 372 OD2 ASP A 24 13.642 0.110 4.710 1.00 0.00 O ATOM 0 H ASP A 24 13.569 0.996 0.578 1.00 0.00 H new ATOM 0 HA ASP A 24 11.835 1.702 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.491 0.857 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.643 2.543 2.921 1.00 0.00 H new ATOM 377 N SER A 25 13.240 3.954 0.859 1.00 0.00 N ATOM 378 CA SER A 25 13.205 5.364 0.495 1.00 0.00 C ATOM 379 C SER A 25 11.782 5.764 0.137 1.00 0.00 C ATOM 380 O SER A 25 11.329 6.865 0.453 1.00 0.00 O ATOM 381 CB SER A 25 14.142 5.639 -0.683 1.00 0.00 C ATOM 382 OG SER A 25 13.838 6.876 -1.302 1.00 0.00 O ATOM 0 H SER A 25 13.788 3.366 0.231 1.00 0.00 H new ATOM 0 HA SER A 25 13.542 5.956 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.175 5.648 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.058 4.834 -1.413 1.00 0.00 H new ATOM 0 HG SER A 25 14.453 7.027 -2.050 1.00 0.00 H new ATOM 388 N LEU A 26 11.080 4.845 -0.516 1.00 0.00 N ATOM 389 CA LEU A 26 9.699 5.066 -0.918 1.00 0.00 C ATOM 390 C LEU A 26 8.795 5.148 0.311 1.00 0.00 C ATOM 391 O LEU A 26 8.023 6.092 0.467 1.00 0.00 O ATOM 392 CB LEU A 26 9.244 3.933 -1.840 1.00 0.00 C ATOM 393 CG LEU A 26 7.869 4.114 -2.489 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.783 5.437 -3.235 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.574 2.956 -3.430 1.00 0.00 C ATOM 0 H LEU A 26 11.450 3.932 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 26 9.631 6.011 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.985 3.813 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.236 3.005 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 26 7.120 4.125 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.795 5.537 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.950 6.259 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.542 5.464 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.593 3.097 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.334 2.919 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.583 2.021 -2.870 1.00 0.00 H new ATOM 407 N ALA A 27 8.905 4.163 1.195 1.00 0.00 N ATOM 408 CA ALA A 27 8.104 4.145 2.412 1.00 0.00 C ATOM 409 C ALA A 27 8.318 5.426 3.217 1.00 0.00 C ATOM 410 O ALA A 27 7.447 5.854 3.973 1.00 0.00 O ATOM 411 CB ALA A 27 8.449 2.925 3.253 1.00 0.00 C ATOM 0 H ALA A 27 9.538 3.370 1.092 1.00 0.00 H new ATOM 0 HA ALA A 27 7.052 4.089 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.843 2.925 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.247 2.020 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.505 2.956 3.523 1.00 0.00 H new ATOM 417 N SER A 28 9.489 6.033 3.038 1.00 0.00 N ATOM 418 CA SER A 28 9.830 7.266 3.737 1.00 0.00 C ATOM 419 C SER A 28 9.080 8.457 3.147 1.00 0.00 C ATOM 420 O SER A 28 8.601 9.324 3.879 1.00 0.00 O ATOM 421 CB SER A 28 11.339 7.513 3.668 1.00 0.00 C ATOM 422 OG SER A 28 11.829 8.020 4.897 1.00 0.00 O ATOM 0 H SER A 28 10.218 5.689 2.413 1.00 0.00 H new ATOM 0 HA SER A 28 9.532 7.156 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.852 6.583 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.559 8.218 2.866 1.00 0.00 H new ATOM 0 HG SER A 28 12.795 8.168 4.828 1.00 0.00 H new ATOM 428 N ASN A 29 8.981 8.497 1.820 1.00 0.00 N ATOM 429 CA ASN A 29 8.287 9.588 1.146 1.00 0.00 C ATOM 430 C ASN A 29 6.836 9.664 1.596 1.00 0.00 C ATOM 431 O ASN A 29 6.341 10.730 1.959 1.00 0.00 O ATOM 432 CB ASN A 29 8.385 9.429 -0.378 1.00 0.00 C ATOM 433 CG ASN A 29 7.433 8.399 -0.959 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.860 7.340 -1.406 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.145 8.714 -0.980 1.00 0.00 N ATOM 0 H ASN A 29 9.370 7.791 1.195 1.00 0.00 H new ATOM 0 HA ASN A 29 8.771 10.525 1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.188 10.394 -0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.406 9.151 -0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.467 8.064 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.832 9.606 -0.597 1.00 0.00 H new ATOM 442 N ALA A 30 6.162 8.522 1.580 1.00 0.00 N ATOM 443 CA ALA A 30 4.770 8.459 1.998 1.00 0.00 C ATOM 444 C ALA A 30 4.639 8.882 3.453 1.00 0.00 C ATOM 445 O ALA A 30 3.694 9.576 3.830 1.00 0.00 O ATOM 446 CB ALA A 30 4.214 7.060 1.799 1.00 0.00 C ATOM 0 H ALA A 30 6.556 7.629 1.283 1.00 0.00 H new ATOM 0 HA ALA A 30 4.192 9.147 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.172 7.034 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.278 6.789 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.792 6.351 2.391 1.00 0.00 H new ATOM 452 N GLU A 31 5.603 8.461 4.271 1.00 0.00 N ATOM 453 CA GLU A 31 5.602 8.803 5.690 1.00 0.00 C ATOM 454 C GLU A 31 5.509 10.314 5.872 1.00 0.00 C ATOM 455 O GLU A 31 4.846 10.805 6.784 1.00 0.00 O ATOM 456 CB GLU A 31 6.864 8.269 6.366 1.00 0.00 C ATOM 457 CG GLU A 31 6.926 8.564 7.855 1.00 0.00 C ATOM 458 CD GLU A 31 8.201 8.054 8.499 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.390 6.820 8.543 1.00 0.00 O ATOM 460 OE2 GLU A 31 9.009 8.887 8.958 1.00 0.00 O ATOM 0 H GLU A 31 6.391 7.885 3.976 1.00 0.00 H new ATOM 0 HA GLU A 31 4.732 8.340 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.919 7.191 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.738 8.704 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.850 9.640 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.067 8.108 8.348 1.00 0.00 H new ATOM 467 N ALA A 32 6.175 11.044 4.982 1.00 0.00 N ATOM 468 CA ALA A 32 6.172 12.501 5.017 1.00 0.00 C ATOM 469 C ALA A 32 4.747 13.028 5.042 1.00 0.00 C ATOM 470 O ALA A 32 4.389 13.840 5.896 1.00 0.00 O ATOM 471 CB ALA A 32 6.929 13.062 3.821 1.00 0.00 C ATOM 0 H ALA A 32 6.727 10.645 4.223 1.00 0.00 H new ATOM 0 HA ALA A 32 6.675 12.827 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.918 14.151 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.960 12.709 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.452 12.728 2.899 1.00 0.00 H new ATOM 477 N LYS A 33 3.925 12.542 4.115 1.00 0.00 N ATOM 478 CA LYS A 33 2.530 12.954 4.063 1.00 0.00 C ATOM 479 C LYS A 33 1.838 12.533 5.350 1.00 0.00 C ATOM 480 O LYS A 33 0.886 13.170 5.801 1.00 0.00 O ATOM 481 CB LYS A 33 1.826 12.324 2.863 1.00 0.00 C ATOM 482 CG LYS A 33 1.975 13.121 1.579 1.00 0.00 C ATOM 483 CD LYS A 33 1.124 14.382 1.602 1.00 0.00 C ATOM 484 CE LYS A 33 1.969 15.627 1.816 1.00 0.00 C ATOM 485 NZ LYS A 33 3.124 15.683 0.878 1.00 0.00 N ATOM 0 H LYS A 33 4.199 11.870 3.398 1.00 0.00 H new ATOM 0 HA LYS A 33 2.483 14.038 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.223 11.321 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.766 12.215 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.022 13.390 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.686 12.502 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.578 14.470 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.381 14.305 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.349 16.514 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.334 15.646 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.405 16.674 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.923 15.152 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.852 15.262 -0.033 1.00 0.00 H new ATOM 499 N GLY A 34 2.346 11.457 5.944 1.00 0.00 N ATOM 500 CA GLY A 34 1.801 10.958 7.184 1.00 0.00 C ATOM 501 C GLY A 34 1.043 9.661 7.003 1.00 0.00 C ATOM 502 O GLY A 34 0.060 9.404 7.699 1.00 0.00 O ATOM 0 H GLY A 34 3.133 10.920 5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.611 10.805 7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.135 11.707 7.612 1.00 0.00 H new ATOM 506 N PHE A 35 1.507 8.837 6.072 1.00 0.00 N ATOM 507 CA PHE A 35 0.876 7.557 5.809 1.00 0.00 C ATOM 508 C PHE A 35 1.671 6.427 6.445 1.00 0.00 C ATOM 509 O PHE A 35 2.855 6.575 6.742 1.00 0.00 O ATOM 510 CB PHE A 35 0.760 7.333 4.305 1.00 0.00 C ATOM 511 CG PHE A 35 0.186 8.510 3.573 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.757 9.330 4.171 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.599 8.798 2.289 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.278 10.416 3.497 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.086 9.886 1.606 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.855 10.694 2.211 1.00 0.00 C ATOM 0 H PHE A 35 2.319 9.036 5.488 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.122 7.566 6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.747 7.109 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.134 6.459 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.088 9.117 5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.332 8.166 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.014 11.047 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.421 10.102 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.260 11.543 1.680 1.00 0.00 H new ATOM 526 N ASP A 36 1.014 5.293 6.638 1.00 0.00 N ATOM 527 CA ASP A 36 1.664 4.132 7.225 1.00 0.00 C ATOM 528 C ASP A 36 2.330 3.308 6.133 1.00 0.00 C ATOM 529 O ASP A 36 1.688 2.473 5.499 1.00 0.00 O ATOM 530 CB ASP A 36 0.650 3.277 7.986 1.00 0.00 C ATOM 531 CG ASP A 36 1.222 2.706 9.269 1.00 0.00 C ATOM 532 OD1 ASP A 36 2.157 3.319 9.826 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.735 1.646 9.716 1.00 0.00 O ATOM 0 H ASP A 36 0.033 5.153 6.397 1.00 0.00 H new ATOM 0 HA ASP A 36 2.423 4.473 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.227 3.880 8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.314 2.461 7.346 1.00 0.00 H new ATOM 538 N SER A 37 3.616 3.559 5.900 1.00 0.00 N ATOM 539 CA SER A 37 4.344 2.847 4.862 1.00 0.00 C ATOM 540 C SER A 37 4.779 1.476 5.352 1.00 0.00 C ATOM 541 O SER A 37 4.857 1.228 6.555 1.00 0.00 O ATOM 542 CB SER A 37 5.564 3.655 4.418 1.00 0.00 C ATOM 543 OG SER A 37 6.541 3.710 5.445 1.00 0.00 O ATOM 0 H SER A 37 4.169 4.245 6.413 1.00 0.00 H new ATOM 0 HA SER A 37 3.677 2.715 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.996 3.205 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.257 4.666 4.150 1.00 0.00 H new ATOM 0 HG SER A 37 7.138 4.471 5.288 1.00 0.00 H new ATOM 549 N ILE A 38 5.031 0.580 4.409 1.00 0.00 N ATOM 550 CA ILE A 38 5.424 -0.781 4.736 1.00 0.00 C ATOM 551 C ILE A 38 6.172 -1.428 3.575 1.00 0.00 C ATOM 552 O ILE A 38 5.810 -1.244 2.411 1.00 0.00 O ATOM 553 CB ILE A 38 4.176 -1.624 5.088 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.483 -3.124 5.028 1.00 0.00 C ATOM 555 CG2 ILE A 38 3.032 -1.266 4.149 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.791 -3.927 6.109 1.00 0.00 C ATOM 0 H ILE A 38 4.970 0.773 3.409 1.00 0.00 H new ATOM 0 HA ILE A 38 6.091 -0.743 5.598 1.00 0.00 H new ATOM 0 HB ILE A 38 3.879 -1.394 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.184 -3.509 4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.560 -3.270 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.155 -1.862 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.793 -0.208 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.328 -1.472 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.054 -4.980 6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.109 -3.569 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.711 -3.812 6.013 1.00 0.00 H new ATOM 568 N VAL A 39 7.213 -2.186 3.895 1.00 0.00 N ATOM 569 CA VAL A 39 8.010 -2.861 2.879 1.00 0.00 C ATOM 570 C VAL A 39 7.965 -4.374 3.066 1.00 0.00 C ATOM 571 O VAL A 39 8.390 -4.889 4.101 1.00 0.00 O ATOM 572 CB VAL A 39 9.478 -2.394 2.912 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.256 -2.993 1.752 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.557 -0.875 2.887 1.00 0.00 C ATOM 0 H VAL A 39 7.526 -2.349 4.852 1.00 0.00 H new ATOM 0 HA VAL A 39 7.578 -2.602 1.913 1.00 0.00 H new ATOM 0 HB VAL A 39 9.929 -2.743 3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.290 -2.651 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.230 -4.081 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.806 -2.677 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.602 -0.565 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.088 -0.501 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.038 -0.469 3.755 1.00 0.00 H new ATOM 584 N LEU A 40 7.453 -5.087 2.062 1.00 0.00 N ATOM 585 CA LEU A 40 7.365 -6.540 2.136 1.00 0.00 C ATOM 586 C LEU A 40 8.263 -7.184 1.090 1.00 0.00 C ATOM 587 O LEU A 40 8.169 -6.881 -0.100 1.00 0.00 O ATOM 588 CB LEU A 40 5.911 -7.000 1.953 1.00 0.00 C ATOM 589 CG LEU A 40 5.718 -8.328 1.211 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.580 -9.427 1.822 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.251 -8.731 1.220 1.00 0.00 C ATOM 0 H LEU A 40 7.096 -4.683 1.196 1.00 0.00 H new ATOM 0 HA LEU A 40 7.706 -6.855 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.451 -7.086 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.369 -6.223 1.414 1.00 0.00 H new ATOM 0 HG LEU A 40 6.035 -8.189 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.424 -10.358 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.630 -9.142 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.303 -9.568 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.130 -9.675 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.912 -8.847 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.659 -7.960 0.727 1.00 0.00 H new ATOM 682 N TYR A 46 10.671 -6.113 -3.584 1.00 0.00 N ATOM 683 CA TYR A 46 10.240 -5.451 -2.356 1.00 0.00 C ATOM 684 C TYR A 46 9.088 -4.502 -2.672 1.00 0.00 C ATOM 685 O TYR A 46 9.184 -3.686 -3.585 1.00 0.00 O ATOM 686 CB TYR A 46 11.395 -4.670 -1.720 1.00 0.00 C ATOM 687 CG TYR A 46 12.366 -5.534 -0.955 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.223 -6.402 -1.619 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.424 -5.489 0.432 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.110 -7.199 -0.923 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.309 -6.281 1.135 1.00 0.00 C ATOM 692 CZ TYR A 46 14.149 -7.133 0.454 1.00 0.00 C ATOM 693 OH TYR A 46 15.034 -7.927 1.150 1.00 0.00 O ATOM 0 HA TYR A 46 9.911 -6.211 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.936 -4.138 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.985 -3.917 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.195 -6.454 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.765 -4.823 0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.769 -7.870 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.342 -6.233 2.213 1.00 0.00 H new ATOM 0 HH TYR A 46 14.937 -7.761 2.111 1.00 0.00 H new ATOM 703 N LYS A 47 7.996 -4.624 -1.931 1.00 0.00 N ATOM 704 CA LYS A 47 6.829 -3.782 -2.163 1.00 0.00 C ATOM 705 C LYS A 47 6.723 -2.669 -1.139 1.00 0.00 C ATOM 706 O LYS A 47 7.087 -2.835 0.021 1.00 0.00 O ATOM 707 CB LYS A 47 5.557 -4.626 -2.143 1.00 0.00 C ATOM 708 CG LYS A 47 5.234 -5.242 -3.487 1.00 0.00 C ATOM 709 CD LYS A 47 6.299 -6.239 -3.902 1.00 0.00 C ATOM 710 CE LYS A 47 6.107 -7.576 -3.215 1.00 0.00 C ATOM 711 NZ LYS A 47 5.337 -8.532 -4.059 1.00 0.00 N ATOM 0 H LYS A 47 7.893 -5.293 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 47 6.948 -3.323 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.665 -5.419 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.720 -4.004 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.265 -5.739 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.153 -4.458 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.268 -6.377 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.285 -5.842 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.081 -8.005 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.586 -7.426 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.228 -9.433 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.398 -8.135 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.846 -8.696 -4.951 1.00 0.00 H new ATOM 725 N VAL A 48 6.211 -1.531 -1.586 1.00 0.00 N ATOM 726 CA VAL A 48 6.037 -0.375 -0.728 1.00 0.00 C ATOM 727 C VAL A 48 4.574 0.054 -0.695 1.00 0.00 C ATOM 728 O VAL A 48 4.066 0.656 -1.642 1.00 0.00 O ATOM 729 CB VAL A 48 6.920 0.791 -1.202 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.702 2.025 -0.339 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.383 0.376 -1.196 1.00 0.00 C ATOM 0 H VAL A 48 5.907 -1.387 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 48 6.341 -0.654 0.281 1.00 0.00 H new ATOM 0 HB VAL A 48 6.636 1.047 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.338 2.835 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.657 2.331 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.954 1.794 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.999 1.210 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.677 0.094 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.523 -0.473 -1.865 1.00 0.00 H new ATOM 741 N GLN A 49 3.897 -0.279 0.400 1.00 0.00 N ATOM 742 CA GLN A 49 2.486 0.045 0.559 1.00 0.00 C ATOM 743 C GLN A 49 2.271 1.114 1.627 1.00 0.00 C ATOM 744 O GLN A 49 2.959 1.137 2.648 1.00 0.00 O ATOM 745 CB GLN A 49 1.704 -1.218 0.929 1.00 0.00 C ATOM 746 CG GLN A 49 0.216 -1.122 0.654 1.00 0.00 C ATOM 747 CD GLN A 49 -0.483 -2.459 0.796 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.262 -2.861 -0.069 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.205 -3.159 1.892 1.00 0.00 N ATOM 0 H GLN A 49 4.306 -0.775 1.192 1.00 0.00 H new ATOM 0 HA GLN A 49 2.124 0.441 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.112 -2.062 0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.855 -1.430 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.233 -0.405 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.059 -0.738 -0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.447 -2.787 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.644 -4.068 2.042 1.00 0.00 H new ATOM 758 N ILE A 50 1.299 1.990 1.386 1.00 0.00 N ATOM 759 CA ILE A 50 0.972 3.055 2.321 1.00 0.00 C ATOM 760 C ILE A 50 -0.538 3.202 2.501 1.00 0.00 C ATOM 761 O ILE A 50 -1.281 3.420 1.548 1.00 0.00 O ATOM 762 CB ILE A 50 1.587 4.394 1.886 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.217 4.730 0.437 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.097 4.326 2.058 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.151 5.793 0.319 1.00 0.00 C ATOM 0 H ILE A 50 0.723 1.980 0.545 1.00 0.00 H new ATOM 0 HA ILE A 50 1.404 2.775 3.282 1.00 0.00 H new ATOM 0 HB ILE A 50 1.186 5.190 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.111 5.063 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.872 3.824 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.541 5.273 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.336 4.135 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.497 3.521 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.061 5.980 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.757 5.454 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.501 6.713 0.788 1.00 0.00 H new ATOM 777 N GLY A 51 -0.964 3.088 3.751 1.00 0.00 N ATOM 778 CA GLY A 51 -2.368 3.216 4.095 1.00 0.00 C ATOM 779 C GLY A 51 -3.162 1.951 3.838 1.00 0.00 C ATOM 780 O GLY A 51 -3.370 1.560 2.689 1.00 0.00 O ATOM 0 H GLY A 51 -0.351 2.906 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.455 3.484 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.803 4.034 3.521 1.00 0.00 H new ATOM 784 N ALA A 52 -3.616 1.314 4.914 1.00 0.00 N ATOM 785 CA ALA A 52 -4.403 0.090 4.810 1.00 0.00 C ATOM 786 C ALA A 52 -5.620 0.161 5.729 1.00 0.00 C ATOM 787 O ALA A 52 -5.482 0.180 6.951 1.00 0.00 O ATOM 788 CB ALA A 52 -3.548 -1.121 5.150 1.00 0.00 C ATOM 0 H ALA A 52 -3.451 1.627 5.871 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.752 -0.012 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.150 -2.026 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.708 -1.179 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.172 -1.027 6.169 1.00 0.00 H new ATOM 794 N PHE A 53 -6.808 0.216 5.136 1.00 0.00 N ATOM 795 CA PHE A 53 -8.043 0.300 5.913 1.00 0.00 C ATOM 796 C PHE A 53 -9.058 -0.746 5.465 1.00 0.00 C ATOM 797 O PHE A 53 -8.849 -1.453 4.476 1.00 0.00 O ATOM 798 CB PHE A 53 -8.657 1.698 5.786 1.00 0.00 C ATOM 799 CG PHE A 53 -7.642 2.804 5.721 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.869 2.986 4.587 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.463 3.661 6.796 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.933 4.002 4.524 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.529 4.679 6.739 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.765 4.850 5.601 1.00 0.00 C ATOM 0 H PHE A 53 -6.943 0.204 4.125 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.789 0.106 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.276 1.733 4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.317 1.873 6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.999 2.327 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.059 3.532 7.687 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.335 4.132 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.397 5.340 7.583 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.037 5.646 5.554 1.00 0.00 H new ATOM 814 N SER A 54 -10.162 -0.831 6.199 1.00 0.00 N ATOM 815 CA SER A 54 -11.223 -1.781 5.887 1.00 0.00 C ATOM 816 C SER A 54 -12.163 -1.220 4.824 1.00 0.00 C ATOM 817 O SER A 54 -12.916 -1.964 4.197 1.00 0.00 O ATOM 818 CB SER A 54 -12.010 -2.130 7.150 1.00 0.00 C ATOM 819 OG SER A 54 -11.157 -2.632 8.164 1.00 0.00 O ATOM 0 H SER A 54 -10.346 -0.251 7.018 1.00 0.00 H new ATOM 0 HA SER A 54 -10.761 -2.687 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.530 -1.244 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.773 -2.872 6.913 1.00 0.00 H new ATOM 0 HG SER A 54 -11.686 -2.845 8.961 1.00 0.00 H new ATOM 825 N SER A 55 -12.119 0.098 4.625 1.00 0.00 N ATOM 826 CA SER A 55 -12.968 0.751 3.636 1.00 0.00 C ATOM 827 C SER A 55 -12.134 1.339 2.498 1.00 0.00 C ATOM 828 O SER A 55 -11.138 2.023 2.733 1.00 0.00 O ATOM 829 CB SER A 55 -13.801 1.853 4.298 1.00 0.00 C ATOM 830 OG SER A 55 -15.165 1.480 4.380 1.00 0.00 O ATOM 0 H SER A 55 -11.504 0.731 5.136 1.00 0.00 H new ATOM 0 HA SER A 55 -13.637 -0.000 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.415 2.055 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.707 2.777 3.727 1.00 0.00 H new ATOM 0 HG SER A 55 -15.721 2.186 3.989 1.00 0.00 H new ATOM 836 N LYS A 56 -12.551 1.063 1.265 1.00 0.00 N ATOM 837 CA LYS A 56 -11.846 1.560 0.087 1.00 0.00 C ATOM 838 C LYS A 56 -11.762 3.082 0.094 1.00 0.00 C ATOM 839 O LYS A 56 -10.736 3.655 -0.275 1.00 0.00 O ATOM 840 CB LYS A 56 -12.538 1.095 -1.188 1.00 0.00 C ATOM 841 CG LYS A 56 -11.769 1.465 -2.443 1.00 0.00 C ATOM 842 CD LYS A 56 -11.844 0.362 -3.481 1.00 0.00 C ATOM 843 CE LYS A 56 -13.266 0.155 -3.981 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.424 0.578 -5.400 1.00 0.00 N ATOM 0 H LYS A 56 -13.374 0.498 1.056 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.834 1.155 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.667 0.013 -1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.535 1.533 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.172 2.388 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.727 1.658 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.195 0.609 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.470 -0.568 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.535 -0.897 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.957 0.720 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.407 0.421 -5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.192 1.588 -5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.784 0.021 -6.002 1.00 0.00 H new ATOM 858 N ASP A 57 -12.843 3.732 0.515 1.00 0.00 N ATOM 859 CA ASP A 57 -12.888 5.194 0.568 1.00 0.00 C ATOM 860 C ASP A 57 -11.619 5.751 1.203 1.00 0.00 C ATOM 861 O ASP A 57 -11.151 6.830 0.841 1.00 0.00 O ATOM 862 CB ASP A 57 -14.114 5.659 1.355 1.00 0.00 C ATOM 863 CG ASP A 57 -14.221 4.988 2.710 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.315 5.193 3.546 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.208 4.260 2.936 1.00 0.00 O ATOM 0 H ASP A 57 -13.699 3.272 0.824 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.958 5.570 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.067 6.739 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.014 5.449 0.777 1.00 0.00 H new ATOM 870 N ASN A 58 -11.064 4.995 2.143 1.00 0.00 N ATOM 871 CA ASN A 58 -9.843 5.399 2.829 1.00 0.00 C ATOM 872 C ASN A 58 -8.649 5.308 1.885 1.00 0.00 C ATOM 873 O ASN A 58 -7.868 6.251 1.760 1.00 0.00 O ATOM 874 CB ASN A 58 -9.607 4.522 4.059 1.00 0.00 C ATOM 875 CG ASN A 58 -10.650 4.745 5.138 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.658 5.781 5.802 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.536 3.772 5.315 1.00 0.00 N ATOM 0 H ASN A 58 -11.441 4.098 2.448 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.956 6.434 3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.615 3.474 3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.617 4.730 4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.262 3.866 6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.491 2.930 4.741 1.00 0.00 H new ATOM 884 N ALA A 59 -8.522 4.166 1.219 1.00 0.00 N ATOM 885 CA ALA A 59 -7.435 3.940 0.276 1.00 0.00 C ATOM 886 C ALA A 59 -7.419 5.011 -0.807 1.00 0.00 C ATOM 887 O ALA A 59 -6.359 5.490 -1.198 1.00 0.00 O ATOM 888 CB ALA A 59 -7.566 2.563 -0.349 1.00 0.00 C ATOM 0 H ALA A 59 -9.163 3.378 1.316 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.493 3.996 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.749 2.403 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.526 1.804 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.517 2.492 -0.876 1.00 0.00 H new ATOM 894 N ASP A 60 -8.599 5.381 -1.291 1.00 0.00 N ATOM 895 CA ASP A 60 -8.711 6.396 -2.332 1.00 0.00 C ATOM 896 C ASP A 60 -8.156 7.732 -1.851 1.00 0.00 C ATOM 897 O ASP A 60 -7.355 8.367 -2.537 1.00 0.00 O ATOM 898 CB ASP A 60 -10.171 6.561 -2.759 1.00 0.00 C ATOM 899 CG ASP A 60 -10.574 5.572 -3.834 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.120 5.730 -4.986 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.346 4.639 -3.523 1.00 0.00 O ATOM 0 H ASP A 60 -9.490 4.994 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.124 6.067 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.817 6.433 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.327 7.576 -3.126 1.00 0.00 H new ATOM 906 N THR A 61 -8.587 8.157 -0.666 1.00 0.00 N ATOM 907 CA THR A 61 -8.129 9.419 -0.095 1.00 0.00 C ATOM 908 C THR A 61 -6.620 9.403 0.116 1.00 0.00 C ATOM 909 O THR A 61 -5.949 10.422 -0.051 1.00 0.00 O ATOM 910 CB THR A 61 -8.842 9.699 1.231 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.610 8.580 1.641 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.769 10.895 1.172 1.00 0.00 C ATOM 0 H THR A 61 -9.251 7.647 -0.084 1.00 0.00 H new ATOM 0 HA THR A 61 -8.371 10.215 -0.799 1.00 0.00 H new ATOM 0 HB THR A 61 -8.045 9.910 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.393 8.490 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.242 11.037 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.197 11.786 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.536 10.724 0.417 1.00 0.00 H new ATOM 920 N LEU A 62 -6.088 8.236 0.468 1.00 0.00 N ATOM 921 CA LEU A 62 -4.654 8.076 0.690 1.00 0.00 C ATOM 922 C LEU A 62 -3.918 8.153 -0.619 1.00 0.00 C ATOM 923 O LEU A 62 -2.955 8.902 -0.780 1.00 0.00 O ATOM 924 CB LEU A 62 -4.362 6.701 1.273 1.00 0.00 C ATOM 925 CG LEU A 62 -3.147 6.632 2.195 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.978 7.383 1.583 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.486 7.192 3.568 1.00 0.00 C ATOM 0 H LEU A 62 -6.631 7.384 0.606 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.334 8.866 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.238 6.365 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.216 5.999 0.452 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.861 5.587 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.119 7.325 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.721 6.936 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.254 8.427 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.608 7.134 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.797 8.232 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.297 6.611 4.008 1.00 0.00 H new ATOM 939 N ALA A 63 -4.372 7.325 -1.544 1.00 0.00 N ATOM 940 CA ALA A 63 -3.758 7.234 -2.838 1.00 0.00 C ATOM 941 C ALA A 63 -3.688 8.604 -3.503 1.00 0.00 C ATOM 942 O ALA A 63 -2.608 9.092 -3.836 1.00 0.00 O ATOM 943 CB ALA A 63 -4.504 6.243 -3.718 1.00 0.00 C ATOM 0 H ALA A 63 -5.171 6.705 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.739 6.871 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.022 6.189 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.489 5.258 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.536 6.570 -3.840 1.00 0.00 H new ATOM 949 N ALA A 64 -4.853 9.223 -3.687 1.00 0.00 N ATOM 950 CA ALA A 64 -4.933 10.542 -4.301 1.00 0.00 C ATOM 951 C ALA A 64 -3.992 11.512 -3.600 1.00 0.00 C ATOM 952 O ALA A 64 -3.355 12.350 -4.239 1.00 0.00 O ATOM 953 CB ALA A 64 -6.362 11.061 -4.259 1.00 0.00 C ATOM 0 H ALA A 64 -5.755 8.829 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.627 10.458 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.405 12.047 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.014 10.377 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.693 11.132 -3.223 1.00 0.00 H new ATOM 959 N ARG A 65 -3.894 11.379 -2.281 1.00 0.00 N ATOM 960 CA ARG A 65 -3.015 12.225 -1.492 1.00 0.00 C ATOM 961 C ARG A 65 -1.566 11.961 -1.876 1.00 0.00 C ATOM 962 O ARG A 65 -0.760 12.885 -1.977 1.00 0.00 O ATOM 963 CB ARG A 65 -3.221 11.952 -0.002 1.00 0.00 C ATOM 964 CG ARG A 65 -2.922 13.144 0.888 1.00 0.00 C ATOM 965 CD ARG A 65 -3.312 12.865 2.331 1.00 0.00 C ATOM 966 NE ARG A 65 -3.991 14.004 2.944 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.128 14.168 4.258 1.00 0.00 C ATOM 968 NH1 ARG A 65 -3.638 13.268 5.101 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.760 15.235 4.732 1.00 0.00 N ATOM 0 H ARG A 65 -4.415 10.691 -1.738 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.252 13.270 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.252 11.639 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.584 11.119 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.860 13.383 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.464 14.017 0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.963 11.992 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.419 12.622 2.907 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.384 14.716 2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.153 12.445 4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.746 13.399 6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.141 15.929 4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.865 15.360 5.739 1.00 0.00 H new ATOM 983 N ALA A 66 -1.251 10.690 -2.107 1.00 0.00 N ATOM 984 CA ALA A 66 0.095 10.300 -2.501 1.00 0.00 C ATOM 985 C ALA A 66 0.417 10.887 -3.861 1.00 0.00 C ATOM 986 O ALA A 66 1.514 11.397 -4.084 1.00 0.00 O ATOM 987 CB ALA A 66 0.234 8.787 -2.509 1.00 0.00 C ATOM 0 H ALA A 66 -1.910 9.915 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 66 0.808 10.691 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.247 8.516 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.032 8.398 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.478 8.360 -3.216 1.00 0.00 H new ATOM 993 N LYS A 67 -0.556 10.838 -4.764 1.00 0.00 N ATOM 994 CA LYS A 67 -0.380 11.390 -6.096 1.00 0.00 C ATOM 995 C LYS A 67 -0.125 12.889 -6.001 1.00 0.00 C ATOM 996 O LYS A 67 0.806 13.414 -6.609 1.00 0.00 O ATOM 997 CB LYS A 67 -1.606 11.114 -6.964 1.00 0.00 C ATOM 998 CG LYS A 67 -1.783 9.646 -7.316 1.00 0.00 C ATOM 999 CD LYS A 67 -3.197 9.353 -7.794 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.401 7.868 -8.057 1.00 0.00 C ATOM 1001 NZ LYS A 67 -4.172 7.628 -9.307 1.00 0.00 N ATOM 0 H LYS A 67 -1.472 10.422 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 67 0.480 10.909 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.497 11.464 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.527 11.693 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.071 9.369 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.558 9.032 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.913 9.693 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.398 9.916 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.431 7.375 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.926 7.419 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.290 6.605 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.107 8.077 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.659 8.034 -10.115 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.949 13.562 -5.205 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.805 14.992 -4.994 1.00 0.00 C ATOM 1017 C ASN A 68 0.463 15.269 -4.192 1.00 0.00 C ATOM 1018 O ASN A 68 1.048 16.349 -4.277 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.026 15.543 -4.254 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.256 17.015 -4.529 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.804 17.878 -3.778 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.964 17.310 -5.614 1.00 0.00 N ATOM 0 H ASN A 68 -1.724 13.136 -4.696 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.731 15.488 -5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.911 14.979 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.895 15.393 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.151 18.284 -5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.320 16.562 -6.209 1.00 0.00 H new ATOM 1029 N ALA A 69 0.877 14.273 -3.413 1.00 0.00 N ATOM 1030 CA ALA A 69 2.071 14.374 -2.586 1.00 0.00 C ATOM 1031 C ALA A 69 3.338 14.220 -3.422 1.00 0.00 C ATOM 1032 O ALA A 69 4.418 14.648 -3.014 1.00 0.00 O ATOM 1033 CB ALA A 69 2.035 13.315 -1.499 1.00 0.00 C ATOM 0 H ALA A 69 0.395 13.377 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 69 2.086 15.364 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.931 13.395 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.152 13.462 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.996 12.326 -1.956 1.00 0.00 H new ATOM 1039 N GLY A 70 3.204 13.590 -4.584 1.00 0.00 N ATOM 1040 CA GLY A 70 4.344 13.373 -5.453 1.00 0.00 C ATOM 1041 C GLY A 70 4.714 11.907 -5.516 1.00 0.00 C ATOM 1042 O GLY A 70 5.859 11.555 -5.805 1.00 0.00 O ATOM 0 H GLY A 70 2.321 13.224 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.115 13.736 -6.455 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.195 13.950 -5.092 1.00 0.00 H new ATOM 1046 N PHE A 71 3.738 11.052 -5.228 1.00 0.00 N ATOM 1047 CA PHE A 71 3.942 9.615 -5.233 1.00 0.00 C ATOM 1048 C PHE A 71 2.852 8.941 -6.058 1.00 0.00 C ATOM 1049 O PHE A 71 1.726 9.425 -6.114 1.00 0.00 O ATOM 1050 CB PHE A 71 3.905 9.085 -3.797 1.00 0.00 C ATOM 1051 CG PHE A 71 4.404 10.073 -2.775 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.622 10.711 -2.945 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.646 10.369 -1.651 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.079 11.625 -2.012 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.096 11.283 -0.717 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.313 11.911 -0.897 1.00 0.00 C ATOM 0 H PHE A 71 2.789 11.338 -4.986 1.00 0.00 H new ATOM 0 HA PHE A 71 4.913 9.392 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.881 8.804 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.507 8.179 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.222 10.492 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.694 9.880 -1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.032 12.114 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.496 11.506 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.666 12.625 -0.167 1.00 0.00 H new ATOM 1066 N ASP A 72 3.181 7.828 -6.694 1.00 0.00 N ATOM 1067 CA ASP A 72 2.204 7.113 -7.508 1.00 0.00 C ATOM 1068 C ASP A 72 1.487 6.047 -6.687 1.00 0.00 C ATOM 1069 O ASP A 72 1.745 4.855 -6.851 1.00 0.00 O ATOM 1070 CB ASP A 72 2.890 6.472 -8.716 1.00 0.00 C ATOM 1071 CG ASP A 72 1.896 5.883 -9.698 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.043 5.077 -9.269 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.972 6.227 -10.896 1.00 0.00 O ATOM 0 H ASP A 72 4.107 7.401 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 72 1.463 7.831 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.499 7.220 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.566 5.689 -8.373 1.00 0.00 H new ATOM 1078 N ALA A 73 0.581 6.476 -5.806 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.164 5.539 -4.971 1.00 0.00 C ATOM 1080 C ALA A 73 -1.396 4.995 -5.686 1.00 0.00 C ATOM 1081 O ALA A 73 -2.098 5.725 -6.386 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.579 6.207 -3.670 1.00 0.00 C ATOM 0 H ALA A 73 0.349 7.458 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 73 0.497 4.699 -4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.134 5.497 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.309 6.536 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.210 7.068 -3.888 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.655 3.708 -5.487 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.806 3.046 -6.086 1.00 0.00 C ATOM 1090 C ILE A 74 -3.528 2.210 -5.037 1.00 0.00 C ATOM 1091 O ILE A 74 -2.912 1.740 -4.085 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.392 2.139 -7.260 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.328 1.135 -6.809 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.881 2.974 -8.424 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.172 -0.043 -7.744 1.00 0.00 C ATOM 0 H ILE A 74 -1.077 3.098 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.470 3.821 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.269 1.585 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.370 1.648 -6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.585 0.768 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.593 2.317 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.667 3.650 -8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.016 3.554 -8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.401 -0.712 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.118 -0.581 -7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.884 0.313 -8.733 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.828 2.018 -5.213 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.607 1.230 -4.264 1.00 0.00 C ATOM 1109 C VAL A 75 -5.899 -0.160 -4.813 1.00 0.00 C ATOM 1110 O VAL A 75 -6.218 -0.320 -5.990 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.934 1.927 -3.898 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.774 1.044 -2.982 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.659 3.273 -3.243 1.00 0.00 C ATOM 0 H VAL A 75 -5.363 2.393 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.003 1.138 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.499 2.096 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.705 1.556 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.998 0.105 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.220 0.840 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.604 3.754 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.073 3.123 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.103 3.907 -3.934 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.781 -1.162 -3.951 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.029 -2.539 -4.346 1.00 0.00 C ATOM 1125 C ILE A 76 -6.744 -3.313 -3.243 1.00 0.00 C ATOM 1126 O ILE A 76 -6.425 -3.171 -2.058 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.717 -3.267 -4.699 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.677 -3.051 -3.599 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.187 -2.784 -6.038 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.634 -4.144 -3.529 1.00 0.00 C ATOM 0 H ILE A 76 -5.515 -1.045 -2.973 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.667 -2.501 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.921 -4.335 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.179 -2.095 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.186 -2.984 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.260 -3.308 -6.273 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.924 -2.985 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.995 -1.712 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.930 -3.924 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.121 -5.099 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.098 -4.197 -4.477 1.00 0.00 H new