USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=12 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+ -177:sc= -0.228 (180deg=-0.237) USER MOD Single : A 13 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.34) 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= -0.816 K(o=-0.82,f=-1.4) 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= -19.1! C(o=-19!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= -0.0808 (180deg=-1.72!) USER MOD Single : A 37 SER OG : rot -163:sc= -0.645 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -0.144 (180deg=-0.679) USER MOD Single : A 49 GLN : amide:sc= -4.65 K(o=-4.6,f=-8.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 0.404 (180deg=0.146) USER MOD Single : A 58 ASN : amide:sc= -2.44 K(o=-2.4,f=-0.45) USER MOD Single : A 61 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.144 K(o=-0.14,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.498 -6.302 1.611 1.00 0.00 N ATOM 121 CA LEU A 9 -8.865 -5.207 2.323 1.00 0.00 C ATOM 122 C LEU A 9 -8.487 -4.106 1.355 1.00 0.00 C ATOM 123 O LEU A 9 -7.990 -4.372 0.263 1.00 0.00 O ATOM 124 CB LEU A 9 -7.628 -5.699 3.078 1.00 0.00 C ATOM 125 CG LEU A 9 -7.914 -6.371 4.424 1.00 0.00 C ATOM 126 CD1 LEU A 9 -7.077 -7.630 4.585 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.650 -5.404 5.568 1.00 0.00 C ATOM 0 HA LEU A 9 -9.574 -4.809 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.091 -6.405 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.963 -4.852 3.246 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.966 -6.656 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.296 -8.092 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.315 -8.330 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.019 -7.372 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.858 -5.898 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.607 -5.088 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.295 -4.532 5.463 1.00 0.00 H new ATOM 139 N TYR A 10 -8.715 -2.867 1.759 1.00 0.00 N ATOM 140 CA TYR A 10 -8.390 -1.735 0.918 1.00 0.00 C ATOM 141 C TYR A 10 -7.089 -1.102 1.376 1.00 0.00 C ATOM 142 O TYR A 10 -7.035 -0.437 2.410 1.00 0.00 O ATOM 143 CB TYR A 10 -9.528 -0.716 0.937 1.00 0.00 C ATOM 144 CG TYR A 10 -10.881 -1.337 0.668 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.232 -1.745 -0.611 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.802 -1.521 1.687 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.463 -2.316 -0.868 1.00 0.00 C ATOM 148 CE2 TYR A 10 -13.037 -2.091 1.440 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.361 -2.488 0.162 1.00 0.00 C ATOM 150 OH TYR A 10 -14.589 -3.057 -0.089 1.00 0.00 O ATOM 0 H TYR A 10 -9.123 -2.624 2.662 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.261 -2.081 -0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.548 -0.220 1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.332 0.053 0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.529 -1.614 -1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.551 -1.214 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.720 -2.626 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.744 -2.224 2.245 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.103 -3.107 0.744 1.00 0.00 H new ATOM 160 N LYS A 11 -6.043 -1.317 0.594 1.00 0.00 N ATOM 161 CA LYS A 11 -4.730 -0.767 0.908 1.00 0.00 C ATOM 162 C LYS A 11 -4.183 0.015 -0.279 1.00 0.00 C ATOM 163 O LYS A 11 -4.546 -0.254 -1.424 1.00 0.00 O ATOM 164 CB LYS A 11 -3.762 -1.890 1.286 1.00 0.00 C ATOM 165 CG LYS A 11 -4.355 -2.907 2.248 1.00 0.00 C ATOM 166 CD LYS A 11 -3.587 -4.222 2.216 1.00 0.00 C ATOM 167 CE LYS A 11 -3.190 -4.674 3.612 1.00 0.00 C ATOM 168 NZ LYS A 11 -4.059 -5.779 4.105 1.00 0.00 N ATOM 0 H LYS A 11 -6.076 -1.868 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.833 -0.089 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.443 -2.403 0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.870 -1.454 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.343 -2.502 3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.398 -3.088 1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.200 -4.990 1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.693 -4.107 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.151 -5.004 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.252 -3.830 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.789 -6.025 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.053 -5.473 4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.942 -6.612 3.493 1.00 0.00 H new ATOM 182 N VAL A 12 -3.305 0.981 -0.013 1.00 0.00 N ATOM 183 CA VAL A 12 -2.725 1.776 -1.090 1.00 0.00 C ATOM 184 C VAL A 12 -1.250 1.418 -1.273 1.00 0.00 C ATOM 185 O VAL A 12 -0.526 1.276 -0.299 1.00 0.00 O ATOM 186 CB VAL A 12 -2.865 3.307 -0.854 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.369 3.995 -2.108 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.800 3.633 0.304 1.00 0.00 C ATOM 0 H VAL A 12 -2.985 1.228 0.923 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.285 1.535 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.871 3.675 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.461 5.065 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.666 3.826 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.343 3.589 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.863 4.714 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.792 3.233 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.414 3.185 1.220 1.00 0.00 H new ATOM 198 N GLN A 13 -0.819 1.258 -2.521 1.00 0.00 N ATOM 199 CA GLN A 13 0.570 0.901 -2.811 1.00 0.00 C ATOM 200 C GLN A 13 1.185 1.866 -3.817 1.00 0.00 C ATOM 201 O GLN A 13 0.533 2.261 -4.785 1.00 0.00 O ATOM 202 CB GLN A 13 0.651 -0.530 -3.342 1.00 0.00 C ATOM 203 CG GLN A 13 2.075 -1.038 -3.511 1.00 0.00 C ATOM 204 CD GLN A 13 2.381 -1.456 -4.936 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.965 -0.799 -5.891 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.115 -2.552 -5.085 1.00 0.00 N ATOM 0 H GLN A 13 -1.408 1.369 -3.346 1.00 0.00 H new ATOM 0 HA GLN A 13 1.136 0.969 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.117 -1.192 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.139 -0.581 -4.303 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.773 -0.258 -3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.235 -1.886 -2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.438 -3.065 -4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.356 -2.881 -6.020 1.00 0.00 H new ATOM 215 N ILE A 14 2.434 2.262 -3.579 1.00 0.00 N ATOM 216 CA ILE A 14 3.102 3.203 -4.471 1.00 0.00 C ATOM 217 C ILE A 14 4.201 2.563 -5.322 1.00 0.00 C ATOM 218 O ILE A 14 4.761 3.227 -6.193 1.00 0.00 O ATOM 219 CB ILE A 14 3.698 4.398 -3.702 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.687 3.909 -2.640 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.588 5.238 -3.089 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.172 3.995 -1.222 1.00 0.00 C ATOM 0 H ILE A 14 2.996 1.950 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 14 2.318 3.552 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 14 4.247 5.031 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.951 2.874 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.603 4.494 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.024 6.079 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.937 5.613 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.007 4.626 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.935 3.629 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.936 5.032 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.273 3.386 -1.124 1.00 0.00 H new ATOM 234 N GLY A 15 4.504 1.276 -5.112 1.00 0.00 N ATOM 235 CA GLY A 15 5.524 0.655 -5.945 1.00 0.00 C ATOM 236 C GLY A 15 6.177 -0.586 -5.358 1.00 0.00 C ATOM 237 O GLY A 15 5.927 -0.963 -4.214 1.00 0.00 O ATOM 0 H GLY A 15 4.078 0.674 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.076 0.391 -6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.301 1.392 -6.149 1.00 0.00 H new ATOM 241 N ALA A 16 7.053 -1.188 -6.166 1.00 0.00 N ATOM 242 CA ALA A 16 7.821 -2.369 -5.782 1.00 0.00 C ATOM 243 C ALA A 16 9.143 -2.376 -6.553 1.00 0.00 C ATOM 244 O ALA A 16 9.183 -1.964 -7.713 1.00 0.00 O ATOM 245 CB ALA A 16 7.027 -3.650 -6.031 1.00 0.00 C ATOM 0 H ALA A 16 7.249 -0.864 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 16 8.030 -2.330 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.625 -4.512 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.108 -3.628 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.781 -3.725 -7.090 1.00 0.00 H new ATOM 251 N PHE A 17 10.224 -2.831 -5.924 1.00 0.00 N ATOM 252 CA PHE A 17 11.527 -2.861 -6.589 1.00 0.00 C ATOM 253 C PHE A 17 12.423 -3.954 -6.020 1.00 0.00 C ATOM 254 O PHE A 17 12.407 -4.224 -4.822 1.00 0.00 O ATOM 255 CB PHE A 17 12.234 -1.509 -6.459 1.00 0.00 C ATOM 256 CG PHE A 17 11.307 -0.328 -6.481 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.698 0.108 -5.318 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.048 0.345 -7.665 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.847 1.193 -5.334 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.196 1.431 -7.686 1.00 0.00 C ATOM 261 CZ PHE A 17 9.593 1.856 -6.518 1.00 0.00 C ATOM 0 H PHE A 17 10.226 -3.181 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 17 11.343 -3.076 -7.642 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.801 -1.495 -5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 17 12.954 -1.408 -7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.891 -0.406 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.518 0.016 -8.580 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.379 1.525 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.001 1.948 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.925 2.704 -6.531 1.00 0.00 H new ATOM 271 N LYS A 18 13.214 -4.569 -6.893 1.00 0.00 N ATOM 272 CA LYS A 18 14.129 -5.632 -6.491 1.00 0.00 C ATOM 273 C LYS A 18 15.044 -5.203 -5.343 1.00 0.00 C ATOM 274 O LYS A 18 15.650 -6.045 -4.683 1.00 0.00 O ATOM 275 CB LYS A 18 14.978 -6.070 -7.688 1.00 0.00 C ATOM 276 CG LYS A 18 15.815 -4.948 -8.281 1.00 0.00 C ATOM 277 CD LYS A 18 16.078 -5.171 -9.762 1.00 0.00 C ATOM 278 CE LYS A 18 15.131 -4.355 -10.626 1.00 0.00 C ATOM 279 NZ LYS A 18 15.828 -3.740 -11.788 1.00 0.00 N ATOM 0 H LYS A 18 13.240 -4.348 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 18 13.523 -6.466 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.638 -6.880 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.322 -6.471 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.302 -3.997 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.764 -4.880 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.108 -4.901 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.966 -6.229 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.324 -4.995 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.673 -3.572 -10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.147 -3.192 -12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.581 -3.109 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.244 -4.488 -12.379 1.00 0.00 H new ATOM 293 N VAL A 19 15.153 -3.895 -5.112 1.00 0.00 N ATOM 294 CA VAL A 19 16.013 -3.389 -4.047 1.00 0.00 C ATOM 295 C VAL A 19 15.211 -2.863 -2.860 1.00 0.00 C ATOM 296 O VAL A 19 14.318 -2.032 -3.011 1.00 0.00 O ATOM 297 CB VAL A 19 16.933 -2.266 -4.560 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.966 -1.898 -3.505 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.610 -2.677 -5.858 1.00 0.00 C ATOM 0 H VAL A 19 14.662 -3.175 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 19 16.615 -4.235 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 19 16.322 -1.386 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.607 -1.103 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.459 -1.555 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.573 -2.772 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.255 -1.869 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.208 -3.572 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.852 -2.884 -6.614 1.00 0.00 H new ATOM 309 N LYS A 20 15.552 -3.360 -1.674 1.00 0.00 N ATOM 310 CA LYS A 20 14.893 -2.961 -0.440 1.00 0.00 C ATOM 311 C LYS A 20 15.255 -1.530 -0.078 1.00 0.00 C ATOM 312 O LYS A 20 14.396 -0.753 0.332 1.00 0.00 O ATOM 313 CB LYS A 20 15.289 -3.900 0.699 1.00 0.00 C ATOM 314 CG LYS A 20 14.618 -3.571 2.022 1.00 0.00 C ATOM 315 CD LYS A 20 15.546 -2.791 2.939 1.00 0.00 C ATOM 316 CE LYS A 20 14.771 -2.030 4.001 1.00 0.00 C ATOM 317 NZ LYS A 20 15.542 -1.902 5.268 1.00 0.00 N ATOM 0 H LYS A 20 16.292 -4.050 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 20 13.815 -3.021 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.038 -4.923 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.370 -3.862 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.714 -2.990 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.310 -4.493 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.245 -3.476 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.139 -2.092 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.521 -1.037 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.829 -2.542 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.978 -1.377 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.759 -2.849 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.429 -1.391 5.084 1.00 0.00 H new ATOM 331 N ALA A 21 16.529 -1.172 -0.243 1.00 0.00 N ATOM 332 CA ALA A 21 16.978 0.181 0.059 1.00 0.00 C ATOM 333 C ALA A 21 16.093 1.188 -0.657 1.00 0.00 C ATOM 334 O ALA A 21 15.782 2.258 -0.128 1.00 0.00 O ATOM 335 CB ALA A 21 18.434 0.363 -0.344 1.00 0.00 C ATOM 0 H ALA A 21 17.261 -1.797 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 21 16.902 0.348 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.752 1.379 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.055 -0.346 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.540 0.186 -1.414 1.00 0.00 H new ATOM 341 N ASN A 22 15.663 0.816 -1.857 1.00 0.00 N ATOM 342 CA ASN A 22 14.784 1.660 -2.646 1.00 0.00 C ATOM 343 C ASN A 22 13.382 1.612 -2.057 1.00 0.00 C ATOM 344 O ASN A 22 12.646 2.600 -2.093 1.00 0.00 O ATOM 345 CB ASN A 22 14.762 1.201 -4.105 1.00 0.00 C ATOM 346 CG ASN A 22 16.106 1.378 -4.785 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.982 2.080 -4.283 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.273 0.740 -5.937 1.00 0.00 N ATOM 0 H ASN A 22 15.911 -0.067 -2.303 1.00 0.00 H new ATOM 0 HA ASN A 22 15.155 2.685 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.471 0.152 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.005 1.765 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.155 0.822 -6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.519 0.168 -6.317 1.00 0.00 H new ATOM 355 N ALA A 23 13.024 0.457 -1.497 1.00 0.00 N ATOM 356 CA ALA A 23 11.713 0.289 -0.884 1.00 0.00 C ATOM 357 C ALA A 23 11.614 1.089 0.413 1.00 0.00 C ATOM 358 O ALA A 23 10.528 1.503 0.820 1.00 0.00 O ATOM 359 CB ALA A 23 11.436 -1.183 -0.622 1.00 0.00 C ATOM 0 H ALA A 23 13.621 -0.369 -1.457 1.00 0.00 H new ATOM 0 HA ALA A 23 10.961 0.668 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.453 -1.292 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.460 -1.731 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.196 -1.582 0.050 1.00 0.00 H new ATOM 365 N ASP A 24 12.758 1.306 1.058 1.00 0.00 N ATOM 366 CA ASP A 24 12.806 2.057 2.308 1.00 0.00 C ATOM 367 C ASP A 24 12.681 3.551 2.040 1.00 0.00 C ATOM 368 O ASP A 24 12.032 4.277 2.795 1.00 0.00 O ATOM 369 CB ASP A 24 14.110 1.761 3.055 1.00 0.00 C ATOM 370 CG ASP A 24 13.865 1.222 4.451 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.899 0.451 4.630 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.642 1.570 5.366 1.00 0.00 O ATOM 0 H ASP A 24 13.665 0.971 0.734 1.00 0.00 H new ATOM 0 HA ASP A 24 11.966 1.746 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.695 1.038 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.704 2.673 3.119 1.00 0.00 H new ATOM 377 N SER A 25 13.290 4.003 0.948 1.00 0.00 N ATOM 378 CA SER A 25 13.227 5.409 0.574 1.00 0.00 C ATOM 379 C SER A 25 11.798 5.781 0.195 1.00 0.00 C ATOM 380 O SER A 25 11.340 6.892 0.452 1.00 0.00 O ATOM 381 CB SER A 25 14.173 5.693 -0.596 1.00 0.00 C ATOM 382 OG SER A 25 14.822 6.943 -0.435 1.00 0.00 O ATOM 0 H SER A 25 13.830 3.418 0.310 1.00 0.00 H new ATOM 0 HA SER A 25 13.538 6.013 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.917 4.900 -0.667 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.612 5.688 -1.531 1.00 0.00 H new ATOM 0 HG SER A 25 15.422 7.100 -1.194 1.00 0.00 H new ATOM 388 N LEU A 26 11.101 4.823 -0.409 1.00 0.00 N ATOM 389 CA LEU A 26 9.719 5.017 -0.826 1.00 0.00 C ATOM 390 C LEU A 26 8.801 5.106 0.392 1.00 0.00 C ATOM 391 O LEU A 26 8.028 6.050 0.535 1.00 0.00 O ATOM 392 CB LEU A 26 9.292 3.863 -1.737 1.00 0.00 C ATOM 393 CG LEU A 26 7.935 4.024 -2.426 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.830 5.372 -3.128 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.713 2.892 -3.418 1.00 0.00 C ATOM 0 H LEU A 26 11.476 3.898 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 26 9.641 5.954 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.054 3.730 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.272 2.947 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 26 7.159 3.983 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.855 5.457 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.946 6.173 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.614 5.452 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.744 3.017 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.500 2.909 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.735 1.938 -2.892 1.00 0.00 H new ATOM 407 N ALA A 27 8.900 4.124 1.281 1.00 0.00 N ATOM 408 CA ALA A 27 8.085 4.114 2.490 1.00 0.00 C ATOM 409 C ALA A 27 8.304 5.391 3.298 1.00 0.00 C ATOM 410 O ALA A 27 7.429 5.828 4.045 1.00 0.00 O ATOM 411 CB ALA A 27 8.404 2.889 3.332 1.00 0.00 C ATOM 0 H ALA A 27 9.532 3.329 1.188 1.00 0.00 H new ATOM 0 HA ALA A 27 7.036 4.071 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.788 2.895 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.196 1.987 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.457 2.905 3.613 1.00 0.00 H new ATOM 417 N SER A 28 9.483 5.985 3.133 1.00 0.00 N ATOM 418 CA SER A 28 9.831 7.214 3.835 1.00 0.00 C ATOM 419 C SER A 28 9.095 8.412 3.243 1.00 0.00 C ATOM 420 O SER A 28 8.621 9.285 3.973 1.00 0.00 O ATOM 421 CB SER A 28 11.342 7.448 3.778 1.00 0.00 C ATOM 422 OG SER A 28 11.989 6.895 4.910 1.00 0.00 O ATOM 0 H SER A 28 10.215 5.632 2.516 1.00 0.00 H new ATOM 0 HA SER A 28 9.525 7.105 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.748 7.002 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.545 8.518 3.726 1.00 0.00 H new ATOM 0 HG SER A 28 12.953 7.057 4.847 1.00 0.00 H new ATOM 428 N ASN A 29 9.000 8.451 1.916 1.00 0.00 N ATOM 429 CA ASN A 29 8.321 9.547 1.236 1.00 0.00 C ATOM 430 C ASN A 29 6.864 9.627 1.665 1.00 0.00 C ATOM 431 O ASN A 29 6.370 10.695 2.029 1.00 0.00 O ATOM 432 CB ASN A 29 8.439 9.394 -0.288 1.00 0.00 C ATOM 433 CG ASN A 29 7.503 8.361 -0.886 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.943 7.313 -1.344 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.209 8.659 -0.913 1.00 0.00 N ATOM 0 H ASN A 29 9.383 7.739 1.294 1.00 0.00 H new ATOM 0 HA ASN A 29 8.806 10.481 1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.242 10.359 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.465 9.124 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.544 8.005 -1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.881 9.542 -0.521 1.00 0.00 H new ATOM 442 N ALA A 30 6.180 8.493 1.627 1.00 0.00 N ATOM 443 CA ALA A 30 4.782 8.437 2.022 1.00 0.00 C ATOM 444 C ALA A 30 4.628 8.852 3.476 1.00 0.00 C ATOM 445 O ALA A 30 3.684 9.555 3.837 1.00 0.00 O ATOM 446 CB ALA A 30 4.220 7.042 1.805 1.00 0.00 C ATOM 0 H ALA A 30 6.571 7.600 1.327 1.00 0.00 H new ATOM 0 HA ALA A 30 4.219 9.133 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.173 7.021 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.299 6.778 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.784 6.326 2.402 1.00 0.00 H new ATOM 452 N GLU A 31 5.572 8.419 4.307 1.00 0.00 N ATOM 453 CA GLU A 31 5.548 8.753 5.727 1.00 0.00 C ATOM 454 C GLU A 31 5.476 10.264 5.911 1.00 0.00 C ATOM 455 O GLU A 31 4.813 10.763 6.821 1.00 0.00 O ATOM 456 CB GLU A 31 6.788 8.195 6.428 1.00 0.00 C ATOM 457 CG GLU A 31 6.655 8.137 7.942 1.00 0.00 C ATOM 458 CD GLU A 31 7.983 8.321 8.649 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.705 9.283 8.317 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.299 7.502 9.538 1.00 0.00 O ATOM 0 H GLU A 31 6.361 7.838 4.022 1.00 0.00 H new ATOM 0 HA GLU A 31 4.663 8.301 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.989 7.192 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.649 8.811 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.961 8.910 8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.224 7.178 8.229 1.00 0.00 H new ATOM 467 N ALA A 32 6.156 10.985 5.025 1.00 0.00 N ATOM 468 CA ALA A 32 6.173 12.442 5.062 1.00 0.00 C ATOM 469 C ALA A 32 4.753 12.986 5.045 1.00 0.00 C ATOM 470 O ALA A 32 4.382 13.808 5.885 1.00 0.00 O ATOM 471 CB ALA A 32 6.972 12.993 3.890 1.00 0.00 C ATOM 0 H ALA A 32 6.706 10.580 4.268 1.00 0.00 H new ATOM 0 HA ALA A 32 6.654 12.762 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.975 14.082 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.997 12.625 3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.517 12.667 2.954 1.00 0.00 H new ATOM 477 N LYS A 33 3.951 12.504 4.098 1.00 0.00 N ATOM 478 CA LYS A 33 2.562 12.934 4.005 1.00 0.00 C ATOM 479 C LYS A 33 1.829 12.527 5.274 1.00 0.00 C ATOM 480 O LYS A 33 0.875 13.179 5.698 1.00 0.00 O ATOM 481 CB LYS A 33 1.885 12.306 2.788 1.00 0.00 C ATOM 482 CG LYS A 33 2.204 13.011 1.482 1.00 0.00 C ATOM 483 CD LYS A 33 1.551 14.383 1.413 1.00 0.00 C ATOM 484 CE LYS A 33 2.571 15.476 1.127 1.00 0.00 C ATOM 485 NZ LYS A 33 2.063 16.471 0.143 1.00 0.00 N ATOM 0 H LYS A 33 4.236 11.824 3.393 1.00 0.00 H new ATOM 0 HA LYS A 33 2.531 14.018 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.190 11.262 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.806 12.312 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.284 13.116 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.861 12.402 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.788 14.384 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.046 14.594 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.828 15.984 2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.488 15.026 0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.841 16.775 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.311 16.039 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.681 17.296 0.649 1.00 0.00 H new ATOM 499 N GLY A 34 2.303 11.444 5.884 1.00 0.00 N ATOM 500 CA GLY A 34 1.718 10.955 7.109 1.00 0.00 C ATOM 501 C GLY A 34 0.946 9.668 6.912 1.00 0.00 C ATOM 502 O GLY A 34 -0.056 9.427 7.585 1.00 0.00 O ATOM 0 H GLY A 34 3.091 10.895 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.506 10.793 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.052 11.715 7.518 1.00 0.00 H new ATOM 506 N PHE A 35 1.418 8.836 5.992 1.00 0.00 N ATOM 507 CA PHE A 35 0.774 7.566 5.715 1.00 0.00 C ATOM 508 C PHE A 35 1.527 6.424 6.380 1.00 0.00 C ATOM 509 O PHE A 35 2.718 6.538 6.677 1.00 0.00 O ATOM 510 CB PHE A 35 0.700 7.339 4.208 1.00 0.00 C ATOM 511 CG PHE A 35 0.178 8.526 3.451 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.766 9.372 4.016 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.642 8.798 2.180 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.236 10.466 3.319 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.176 9.895 1.478 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.765 10.729 2.049 1.00 0.00 C ATOM 0 H PHE A 35 2.246 9.022 5.426 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.236 7.593 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.694 7.089 3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.060 6.480 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.136 9.172 5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.377 8.148 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.972 11.116 3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.548 10.099 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.132 11.585 1.503 1.00 0.00 H new ATOM 526 N ASP A 36 0.831 5.319 6.599 1.00 0.00 N ATOM 527 CA ASP A 36 1.439 4.148 7.214 1.00 0.00 C ATOM 528 C ASP A 36 2.137 3.310 6.153 1.00 0.00 C ATOM 529 O ASP A 36 1.509 2.475 5.502 1.00 0.00 O ATOM 530 CB ASP A 36 0.382 3.312 7.937 1.00 0.00 C ATOM 531 CG ASP A 36 0.206 3.726 9.386 1.00 0.00 C ATOM 532 OD1 ASP A 36 -0.147 4.900 9.628 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.418 2.877 10.277 1.00 0.00 O ATOM 0 H ASP A 36 -0.154 5.208 6.360 1.00 0.00 H new ATOM 0 HA ASP A 36 2.175 4.480 7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.571 3.408 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.664 2.260 7.895 1.00 0.00 H new ATOM 538 N SER A 37 3.430 3.550 5.962 1.00 0.00 N ATOM 539 CA SER A 37 4.189 2.826 4.953 1.00 0.00 C ATOM 540 C SER A 37 4.604 1.454 5.459 1.00 0.00 C ATOM 541 O SER A 37 4.664 1.211 6.665 1.00 0.00 O ATOM 542 CB SER A 37 5.425 3.629 4.544 1.00 0.00 C ATOM 543 OG SER A 37 6.349 3.725 5.615 1.00 0.00 O ATOM 0 H SER A 37 3.970 4.236 6.490 1.00 0.00 H new ATOM 0 HA SER A 37 3.547 2.689 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.904 3.154 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.125 4.628 4.228 1.00 0.00 H new ATOM 0 HG SER A 37 6.990 4.443 5.431 1.00 0.00 H new ATOM 549 N ILE A 38 4.865 0.557 4.520 1.00 0.00 N ATOM 550 CA ILE A 38 5.249 -0.809 4.847 1.00 0.00 C ATOM 551 C ILE A 38 5.996 -1.447 3.678 1.00 0.00 C ATOM 552 O ILE A 38 5.637 -1.247 2.517 1.00 0.00 O ATOM 553 CB ILE A 38 3.994 -1.645 5.186 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.290 -3.148 5.112 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.853 -1.272 4.248 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.568 -3.960 6.165 1.00 0.00 C ATOM 0 H ILE A 38 4.818 0.752 3.520 1.00 0.00 H new ATOM 0 HA ILE A 38 5.909 -0.786 5.714 1.00 0.00 H new ATOM 0 HB ILE A 38 3.697 -1.420 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.010 -3.517 4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.364 -3.304 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.972 -1.865 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.620 -0.213 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.149 -1.470 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.825 -5.013 6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.866 -3.618 7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.492 -3.834 6.047 1.00 0.00 H new ATOM 568 N VAL A 39 7.037 -2.211 3.989 1.00 0.00 N ATOM 569 CA VAL A 39 7.830 -2.867 2.957 1.00 0.00 C ATOM 570 C VAL A 39 7.784 -4.385 3.095 1.00 0.00 C ATOM 571 O VAL A 39 8.250 -4.939 4.093 1.00 0.00 O ATOM 572 CB VAL A 39 9.299 -2.403 2.999 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.082 -2.995 1.837 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.382 -0.883 2.987 1.00 0.00 C ATOM 0 H VAL A 39 7.350 -2.391 4.943 1.00 0.00 H new ATOM 0 HA VAL A 39 7.391 -2.584 2.000 1.00 0.00 H new ATOM 0 HB VAL A 39 9.745 -2.761 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.117 -2.655 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.054 -4.083 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.637 -2.671 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.427 -0.575 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.917 -0.500 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.861 -0.483 3.857 1.00 0.00 H new ATOM 584 N LEU A 40 7.231 -5.056 2.088 1.00 0.00 N ATOM 585 CA LEU A 40 7.140 -6.511 2.098 1.00 0.00 C ATOM 586 C LEU A 40 8.130 -7.117 1.112 1.00 0.00 C ATOM 587 O LEU A 40 8.088 -6.824 -0.083 1.00 0.00 O ATOM 588 CB LEU A 40 5.714 -6.970 1.756 1.00 0.00 C ATOM 589 CG LEU A 40 5.611 -8.261 0.926 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.401 -9.390 1.576 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.154 -8.661 0.743 1.00 0.00 C ATOM 0 H LEU A 40 6.840 -4.615 1.256 1.00 0.00 H new ATOM 0 HA LEU A 40 7.387 -6.856 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.165 -7.113 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.215 -6.169 1.211 1.00 0.00 H new ATOM 0 HG LEU A 40 6.043 -8.070 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.312 -10.292 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.450 -9.104 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.006 -9.583 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.099 -9.576 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.698 -8.830 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.620 -7.864 0.226 1.00 0.00 H new ATOM 682 N TYR A 46 10.809 -5.913 -3.667 1.00 0.00 N ATOM 683 CA TYR A 46 10.354 -5.263 -2.446 1.00 0.00 C ATOM 684 C TYR A 46 9.232 -4.287 -2.774 1.00 0.00 C ATOM 685 O TYR A 46 9.381 -3.435 -3.641 1.00 0.00 O ATOM 686 CB TYR A 46 11.511 -4.533 -1.764 1.00 0.00 C ATOM 687 CG TYR A 46 12.375 -5.449 -0.935 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.199 -6.388 -1.542 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.351 -5.392 0.453 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.976 -7.241 -0.789 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.130 -6.242 1.214 1.00 0.00 C ATOM 692 CZ TYR A 46 13.941 -7.166 0.588 1.00 0.00 C ATOM 693 OH TYR A 46 14.716 -8.018 1.340 1.00 0.00 O ATOM 0 HA TYR A 46 9.978 -6.022 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.126 -4.049 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.111 -3.744 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.231 -6.450 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.713 -4.672 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.611 -7.967 -1.276 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.104 -6.184 2.292 1.00 0.00 H new ATOM 0 HH TYR A 46 14.575 -7.834 2.292 1.00 0.00 H new ATOM 703 N LYS A 47 8.110 -4.416 -2.079 1.00 0.00 N ATOM 704 CA LYS A 47 6.968 -3.536 -2.317 1.00 0.00 C ATOM 705 C LYS A 47 6.787 -2.546 -1.189 1.00 0.00 C ATOM 706 O LYS A 47 7.148 -2.814 -0.043 1.00 0.00 O ATOM 707 CB LYS A 47 5.682 -4.344 -2.504 1.00 0.00 C ATOM 708 CG LYS A 47 5.899 -5.689 -3.166 1.00 0.00 C ATOM 709 CD LYS A 47 5.984 -6.801 -2.136 1.00 0.00 C ATOM 710 CE LYS A 47 5.185 -8.015 -2.569 1.00 0.00 C ATOM 711 NZ LYS A 47 3.736 -7.706 -2.722 1.00 0.00 N ATOM 0 H LYS A 47 7.964 -5.115 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 47 7.176 -2.983 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.216 -4.499 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.982 -3.762 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.082 -5.893 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.816 -5.664 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.026 -7.083 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.611 -6.441 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.578 -8.388 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.310 -8.811 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.176 -8.562 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.467 -6.959 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.551 -7.381 -3.693 1.00 0.00 H new ATOM 725 N VAL A 48 6.221 -1.398 -1.526 1.00 0.00 N ATOM 726 CA VAL A 48 5.982 -0.350 -0.553 1.00 0.00 C ATOM 727 C VAL A 48 4.521 0.075 -0.554 1.00 0.00 C ATOM 728 O VAL A 48 4.055 0.741 -1.478 1.00 0.00 O ATOM 729 CB VAL A 48 6.889 0.862 -0.820 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.677 1.940 0.234 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.344 0.423 -0.860 1.00 0.00 C ATOM 0 H VAL A 48 5.918 -1.170 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 48 6.221 -0.752 0.432 1.00 0.00 H new ATOM 0 HB VAL A 48 6.626 1.288 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.330 2.787 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.638 2.269 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.912 1.537 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.980 1.288 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.615 -0.024 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.481 -0.310 -1.655 1.00 0.00 H new ATOM 741 N GLN A 49 3.805 -0.326 0.489 1.00 0.00 N ATOM 742 CA GLN A 49 2.392 -0.001 0.621 1.00 0.00 C ATOM 743 C GLN A 49 2.177 1.082 1.671 1.00 0.00 C ATOM 744 O GLN A 49 2.827 1.089 2.716 1.00 0.00 O ATOM 745 CB GLN A 49 1.599 -1.256 0.992 1.00 0.00 C ATOM 746 CG GLN A 49 0.104 -1.128 0.753 1.00 0.00 C ATOM 747 CD GLN A 49 -0.654 -2.390 1.117 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.288 -3.013 0.266 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.590 -2.773 2.386 1.00 0.00 N ATOM 0 H GLN A 49 4.182 -0.879 1.258 1.00 0.00 H new ATOM 0 HA GLN A 49 2.037 0.378 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.979 -2.099 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.771 -1.486 2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.284 -0.294 1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.074 -0.891 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.052 -2.225 3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.079 -3.615 2.690 1.00 0.00 H new ATOM 758 N ILE A 50 1.251 1.992 1.388 1.00 0.00 N ATOM 759 CA ILE A 50 0.937 3.074 2.304 1.00 0.00 C ATOM 760 C ILE A 50 -0.571 3.254 2.457 1.00 0.00 C ATOM 761 O ILE A 50 -1.295 3.465 1.486 1.00 0.00 O ATOM 762 CB ILE A 50 1.598 4.391 1.866 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.320 4.690 0.390 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.094 4.302 2.123 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.281 5.764 0.176 1.00 0.00 C ATOM 0 H ILE A 50 0.705 1.998 0.527 1.00 0.00 H new ATOM 0 HA ILE A 50 1.345 2.800 3.277 1.00 0.00 H new ATOM 0 HB ILE A 50 1.174 5.211 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.249 4.994 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.991 3.775 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.572 5.232 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.271 4.137 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.513 3.473 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.136 5.922 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.661 5.454 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.617 6.692 0.638 1.00 0.00 H new ATOM 777 N GLY A 51 -1.017 3.174 3.703 1.00 0.00 N ATOM 778 CA GLY A 51 -2.422 3.330 4.027 1.00 0.00 C ATOM 779 C GLY A 51 -3.232 2.072 3.786 1.00 0.00 C ATOM 780 O GLY A 51 -3.476 1.692 2.639 1.00 0.00 O ATOM 0 H GLY A 51 -0.418 3.000 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.517 3.621 5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.838 4.142 3.431 1.00 0.00 H new ATOM 784 N ALA A 52 -3.656 1.428 4.869 1.00 0.00 N ATOM 785 CA ALA A 52 -4.454 0.210 4.778 1.00 0.00 C ATOM 786 C ALA A 52 -5.644 0.287 5.727 1.00 0.00 C ATOM 787 O ALA A 52 -5.476 0.509 6.926 1.00 0.00 O ATOM 788 CB ALA A 52 -3.599 -1.008 5.094 1.00 0.00 C ATOM 0 H ALA A 52 -3.459 1.731 5.823 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.829 0.113 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.208 -1.909 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.776 -1.069 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.200 -0.920 6.104 1.00 0.00 H new ATOM 794 N PHE A 53 -6.848 0.120 5.189 1.00 0.00 N ATOM 795 CA PHE A 53 -8.057 0.192 6.004 1.00 0.00 C ATOM 796 C PHE A 53 -9.105 -0.816 5.544 1.00 0.00 C ATOM 797 O PHE A 53 -8.922 -1.512 4.543 1.00 0.00 O ATOM 798 CB PHE A 53 -8.647 1.606 5.958 1.00 0.00 C ATOM 799 CG PHE A 53 -7.613 2.695 5.892 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.869 2.894 4.740 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.385 3.519 6.983 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.917 3.894 4.676 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.434 4.521 6.924 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.699 4.708 5.770 1.00 0.00 C ATOM 0 H PHE A 53 -7.013 -0.065 4.200 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.776 -0.052 7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.302 1.688 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.267 1.760 6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.035 2.260 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.956 3.377 7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.344 4.039 3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.266 5.157 7.780 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.955 5.489 5.723 1.00 0.00 H new ATOM 814 N SER A 54 -10.207 -0.882 6.285 1.00 0.00 N ATOM 815 CA SER A 54 -11.297 -1.796 5.966 1.00 0.00 C ATOM 816 C SER A 54 -12.239 -1.185 4.932 1.00 0.00 C ATOM 817 O SER A 54 -13.005 -1.897 4.285 1.00 0.00 O ATOM 818 CB SER A 54 -12.075 -2.156 7.233 1.00 0.00 C ATOM 819 OG SER A 54 -11.543 -3.314 7.848 1.00 0.00 O ATOM 0 H SER A 54 -10.368 -0.310 7.114 1.00 0.00 H new ATOM 0 HA SER A 54 -10.864 -2.703 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.042 -1.321 7.933 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.123 -2.322 6.985 1.00 0.00 H new ATOM 0 HG SER A 54 -12.057 -3.521 8.656 1.00 0.00 H new ATOM 825 N SER A 55 -12.182 0.138 4.781 1.00 0.00 N ATOM 826 CA SER A 55 -13.034 0.836 3.823 1.00 0.00 C ATOM 827 C SER A 55 -12.211 1.405 2.668 1.00 0.00 C ATOM 828 O SER A 55 -11.206 2.083 2.882 1.00 0.00 O ATOM 829 CB SER A 55 -13.807 1.957 4.520 1.00 0.00 C ATOM 830 OG SER A 55 -15.186 1.645 4.615 1.00 0.00 O ATOM 0 H SER A 55 -11.556 0.745 5.309 1.00 0.00 H new ATOM 0 HA SER A 55 -13.743 0.116 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.398 2.119 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.679 2.888 3.968 1.00 0.00 H new ATOM 0 HG SER A 55 -15.657 2.377 5.066 1.00 0.00 H new ATOM 836 N LYS A 56 -12.644 1.119 1.443 1.00 0.00 N ATOM 837 CA LYS A 56 -11.951 1.594 0.250 1.00 0.00 C ATOM 838 C LYS A 56 -11.816 3.113 0.249 1.00 0.00 C ATOM 839 O LYS A 56 -10.802 3.651 -0.195 1.00 0.00 O ATOM 840 CB LYS A 56 -12.693 1.137 -1.008 1.00 0.00 C ATOM 841 CG LYS A 56 -11.809 1.083 -2.240 1.00 0.00 C ATOM 842 CD LYS A 56 -12.003 2.306 -3.120 1.00 0.00 C ATOM 843 CE LYS A 56 -11.615 2.023 -4.561 1.00 0.00 C ATOM 844 NZ LYS A 56 -10.139 1.959 -4.737 1.00 0.00 N ATOM 0 H LYS A 56 -13.474 0.559 1.251 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.949 1.166 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.119 0.149 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.526 1.814 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.764 1.014 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.035 0.183 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.045 2.624 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.403 3.131 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.059 1.079 -4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.024 2.800 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.909 1.985 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.697 2.771 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.778 1.076 -4.323 1.00 0.00 H new ATOM 858 N ASP A 57 -12.841 3.799 0.744 1.00 0.00 N ATOM 859 CA ASP A 57 -12.827 5.260 0.794 1.00 0.00 C ATOM 860 C ASP A 57 -11.542 5.773 1.440 1.00 0.00 C ATOM 861 O ASP A 57 -11.047 6.847 1.096 1.00 0.00 O ATOM 862 CB ASP A 57 -14.043 5.780 1.562 1.00 0.00 C ATOM 863 CG ASP A 57 -14.050 5.329 3.009 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.111 5.693 3.748 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.995 4.615 3.404 1.00 0.00 O ATOM 0 H ASP A 57 -13.689 3.371 1.115 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.869 5.632 -0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.054 6.869 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.953 5.434 1.072 1.00 0.00 H new ATOM 870 N ASN A 58 -11.009 4.997 2.377 1.00 0.00 N ATOM 871 CA ASN A 58 -9.781 5.372 3.070 1.00 0.00 C ATOM 872 C ASN A 58 -8.579 5.256 2.138 1.00 0.00 C ATOM 873 O ASN A 58 -7.773 6.178 2.029 1.00 0.00 O ATOM 874 CB ASN A 58 -9.573 4.492 4.303 1.00 0.00 C ATOM 875 CG ASN A 58 -10.597 4.762 5.386 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.356 5.544 6.305 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.750 4.115 5.283 1.00 0.00 N ATOM 0 H ASN A 58 -11.407 4.106 2.674 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.875 6.410 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.626 3.443 4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.573 4.661 4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.479 4.257 5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.908 3.475 4.504 1.00 0.00 H new ATOM 884 N ALA A 59 -8.470 4.114 1.465 1.00 0.00 N ATOM 885 CA ALA A 59 -7.370 3.873 0.539 1.00 0.00 C ATOM 886 C ALA A 59 -7.370 4.894 -0.591 1.00 0.00 C ATOM 887 O ALA A 59 -6.321 5.409 -0.966 1.00 0.00 O ATOM 888 CB ALA A 59 -7.454 2.462 -0.018 1.00 0.00 C ATOM 0 H ALA A 59 -9.131 3.341 1.544 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.434 3.981 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.627 2.294 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.396 1.744 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.399 2.335 -0.546 1.00 0.00 H new ATOM 894 N ASP A 60 -8.549 5.184 -1.134 1.00 0.00 N ATOM 895 CA ASP A 60 -8.670 6.146 -2.224 1.00 0.00 C ATOM 896 C ASP A 60 -8.111 7.505 -1.813 1.00 0.00 C ATOM 897 O ASP A 60 -7.274 8.079 -2.509 1.00 0.00 O ATOM 898 CB ASP A 60 -10.132 6.290 -2.648 1.00 0.00 C ATOM 899 CG ASP A 60 -10.542 5.253 -3.674 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.646 4.662 -4.311 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.760 5.032 -3.841 1.00 0.00 O ATOM 0 H ASP A 60 -9.432 4.768 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.091 5.774 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.772 6.201 -1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.291 7.287 -3.059 1.00 0.00 H new ATOM 906 N THR A 61 -8.577 8.013 -0.675 1.00 0.00 N ATOM 907 CA THR A 61 -8.119 9.302 -0.172 1.00 0.00 C ATOM 908 C THR A 61 -6.602 9.319 -0.034 1.00 0.00 C ATOM 909 O THR A 61 -5.950 10.314 -0.349 1.00 0.00 O ATOM 910 CB THR A 61 -8.770 9.608 1.178 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.140 9.249 1.169 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.680 11.067 1.569 1.00 0.00 C ATOM 0 H THR A 61 -9.270 7.552 -0.086 1.00 0.00 H new ATOM 0 HA THR A 61 -8.411 10.070 -0.888 1.00 0.00 H new ATOM 0 HB THR A 61 -8.213 9.018 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.243 8.344 1.530 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.161 11.215 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.633 11.362 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.182 11.677 0.817 1.00 0.00 H new ATOM 920 N LEU A 62 -6.045 8.205 0.430 1.00 0.00 N ATOM 921 CA LEU A 62 -4.605 8.072 0.607 1.00 0.00 C ATOM 922 C LEU A 62 -3.904 8.090 -0.725 1.00 0.00 C ATOM 923 O LEU A 62 -2.923 8.805 -0.931 1.00 0.00 O ATOM 924 CB LEU A 62 -4.283 6.727 1.250 1.00 0.00 C ATOM 925 CG LEU A 62 -3.033 6.710 2.126 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.876 7.379 1.405 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.305 7.395 3.456 1.00 0.00 C ATOM 0 H LEU A 62 -6.576 7.374 0.692 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.273 8.902 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.136 6.418 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.165 5.984 0.461 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.762 5.673 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.991 7.360 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.668 6.845 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.137 8.413 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.403 7.373 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.599 8.430 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.109 6.874 3.976 1.00 0.00 H new ATOM 939 N ALA A 63 -4.404 7.253 -1.617 1.00 0.00 N ATOM 940 CA ALA A 63 -3.824 7.109 -2.923 1.00 0.00 C ATOM 941 C ALA A 63 -3.662 8.461 -3.612 1.00 0.00 C ATOM 942 O ALA A 63 -2.548 8.886 -3.922 1.00 0.00 O ATOM 943 CB ALA A 63 -4.658 6.168 -3.780 1.00 0.00 C ATOM 0 H ALA A 63 -5.218 6.662 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.831 6.677 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.202 6.072 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.704 5.188 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.666 6.569 -3.885 1.00 0.00 H new ATOM 949 N ALA A 64 -4.788 9.136 -3.845 1.00 0.00 N ATOM 950 CA ALA A 64 -4.784 10.442 -4.493 1.00 0.00 C ATOM 951 C ALA A 64 -3.853 11.407 -3.768 1.00 0.00 C ATOM 952 O ALA A 64 -3.194 12.238 -4.392 1.00 0.00 O ATOM 953 CB ALA A 64 -6.194 11.009 -4.548 1.00 0.00 C ATOM 0 H ALA A 64 -5.716 8.796 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.416 10.315 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.175 11.984 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.836 10.334 -5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.583 11.116 -3.535 1.00 0.00 H new ATOM 959 N ARG A 65 -3.792 11.279 -2.447 1.00 0.00 N ATOM 960 CA ARG A 65 -2.929 12.126 -1.638 1.00 0.00 C ATOM 961 C ARG A 65 -1.472 11.879 -1.998 1.00 0.00 C ATOM 962 O ARG A 65 -0.676 12.811 -2.102 1.00 0.00 O ATOM 963 CB ARG A 65 -3.162 11.843 -0.155 1.00 0.00 C ATOM 964 CG ARG A 65 -2.960 13.052 0.740 1.00 0.00 C ATOM 965 CD ARG A 65 -3.539 12.815 2.124 1.00 0.00 C ATOM 966 NE ARG A 65 -4.459 13.878 2.524 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.391 13.739 3.466 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.525 12.588 4.112 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.189 14.756 3.761 1.00 0.00 N ATOM 0 H ARG A 65 -4.331 10.596 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.167 13.171 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.177 11.470 -0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.486 11.050 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.896 13.274 0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.434 13.924 0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.062 11.859 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.728 12.746 2.849 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.383 14.780 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.913 11.803 3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.240 12.488 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.089 15.643 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.903 14.652 4.482 1.00 0.00 H new ATOM 983 N ALA A 66 -1.136 10.609 -2.209 1.00 0.00 N ATOM 984 CA ALA A 66 0.217 10.236 -2.579 1.00 0.00 C ATOM 985 C ALA A 66 0.552 10.810 -3.943 1.00 0.00 C ATOM 986 O ALA A 66 1.647 11.324 -4.161 1.00 0.00 O ATOM 987 CB ALA A 66 0.384 8.726 -2.566 1.00 0.00 C ATOM 0 H ALA A 66 -1.784 9.826 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 66 0.910 10.649 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.406 8.471 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.176 8.346 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.310 8.277 -3.276 1.00 0.00 H new ATOM 993 N LYS A 67 -0.415 10.748 -4.854 1.00 0.00 N ATOM 994 CA LYS A 67 -0.227 11.291 -6.189 1.00 0.00 C ATOM 995 C LYS A 67 0.030 12.788 -6.101 1.00 0.00 C ATOM 996 O LYS A 67 0.974 13.307 -6.695 1.00 0.00 O ATOM 997 CB LYS A 67 -1.452 11.013 -7.061 1.00 0.00 C ATOM 998 CG LYS A 67 -1.412 9.662 -7.755 1.00 0.00 C ATOM 999 CD LYS A 67 -2.799 9.043 -7.848 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.740 7.630 -8.405 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.907 7.608 -9.885 1.00 0.00 N ATOM 0 H LYS A 67 -1.331 10.329 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 67 0.634 10.806 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.348 11.068 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.537 11.796 -7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.996 9.778 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.748 8.991 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.259 9.027 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.433 9.660 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.785 7.175 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.520 7.025 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.861 6.626 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.829 8.018 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.148 8.164 -10.328 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.804 13.468 -5.323 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.659 14.900 -5.117 1.00 0.00 C ATOM 1017 C ASN A 68 0.602 15.180 -4.305 1.00 0.00 C ATOM 1018 O ASN A 68 1.191 16.257 -4.394 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.885 15.452 -4.386 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.110 16.925 -4.661 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.663 17.453 -5.680 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.805 17.600 -3.752 1.00 0.00 N ATOM 0 H ASN A 68 -1.588 13.048 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.576 15.392 -6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.768 14.890 -4.689 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.763 15.300 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.987 18.595 -3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.157 17.123 -2.922 1.00 0.00 H new ATOM 1029 N ALA A 69 1.006 14.188 -3.511 1.00 0.00 N ATOM 1030 CA ALA A 69 2.191 14.297 -2.675 1.00 0.00 C ATOM 1031 C ALA A 69 3.470 14.118 -3.488 1.00 0.00 C ATOM 1032 O ALA A 69 4.544 14.551 -3.072 1.00 0.00 O ATOM 1033 CB ALA A 69 2.132 13.258 -1.565 1.00 0.00 C ATOM 0 H ALA A 69 0.521 13.294 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 69 2.209 15.297 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.021 13.342 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.244 13.426 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.089 12.260 -2.002 1.00 0.00 H new ATOM 1039 N GLY A 70 3.350 13.467 -4.640 1.00 0.00 N ATOM 1040 CA GLY A 70 4.506 13.231 -5.483 1.00 0.00 C ATOM 1041 C GLY A 70 4.872 11.763 -5.528 1.00 0.00 C ATOM 1042 O GLY A 70 6.020 11.405 -5.790 1.00 0.00 O ATOM 0 H GLY A 70 2.472 13.098 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.299 13.586 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.353 13.807 -5.110 1.00 0.00 H new ATOM 1046 N PHE A 71 3.887 10.913 -5.254 1.00 0.00 N ATOM 1047 CA PHE A 71 4.088 9.476 -5.243 1.00 0.00 C ATOM 1048 C PHE A 71 2.999 8.796 -6.066 1.00 0.00 C ATOM 1049 O PHE A 71 1.882 9.293 -6.151 1.00 0.00 O ATOM 1050 CB PHE A 71 4.047 8.961 -3.804 1.00 0.00 C ATOM 1051 CG PHE A 71 4.532 9.964 -2.793 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.762 10.582 -2.945 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.747 10.299 -1.697 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.205 11.513 -2.023 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.185 11.229 -0.774 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.416 11.836 -0.937 1.00 0.00 C ATOM 0 H PHE A 71 2.934 11.203 -5.035 1.00 0.00 H new ATOM 0 HA PHE A 71 5.060 9.246 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.024 8.675 -3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.656 8.060 -3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.383 10.334 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.784 9.828 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.167 11.987 -2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.566 11.482 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.760 12.562 -0.216 1.00 0.00 H new ATOM 1066 N ASP A 72 3.322 7.660 -6.668 1.00 0.00 N ATOM 1067 CA ASP A 72 2.349 6.939 -7.478 1.00 0.00 C ATOM 1068 C ASP A 72 1.607 5.902 -6.644 1.00 0.00 C ATOM 1069 O ASP A 72 1.848 4.704 -6.778 1.00 0.00 O ATOM 1070 CB ASP A 72 3.043 6.259 -8.660 1.00 0.00 C ATOM 1071 CG ASP A 72 2.078 5.916 -9.778 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.018 5.323 -9.485 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.383 6.240 -10.945 1.00 0.00 O ATOM 0 H ASP A 72 4.241 7.221 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 72 1.624 7.659 -7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.823 6.915 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.533 5.349 -8.315 1.00 0.00 H new ATOM 1078 N ALA A 73 0.696 6.364 -5.786 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.076 5.458 -4.941 1.00 0.00 C ATOM 1080 C ALA A 73 -1.336 4.962 -5.642 1.00 0.00 C ATOM 1081 O ALA A 73 -2.022 5.721 -6.327 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.450 6.139 -3.635 1.00 0.00 C ATOM 0 H ALA A 73 0.477 7.352 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 73 0.555 4.594 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.025 5.450 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.456 6.432 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.050 7.025 -3.845 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.637 3.685 -5.446 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.820 3.069 -6.032 1.00 0.00 C ATOM 1090 C ILE A 74 -3.552 2.245 -4.978 1.00 0.00 C ATOM 1091 O ILE A 74 -2.936 1.763 -4.032 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.458 2.162 -7.224 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.424 1.117 -6.803 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.937 2.997 -8.384 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.635 -0.237 -7.448 1.00 0.00 C ATOM 0 H ILE A 74 -1.073 3.051 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.464 3.870 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.357 1.641 -7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.428 1.480 -7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.455 1.003 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.685 2.343 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.705 3.705 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.047 3.542 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.865 -0.928 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.617 -0.622 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.574 -0.137 -8.532 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.857 2.081 -5.144 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.644 1.307 -4.188 1.00 0.00 C ATOM 1109 C VAL A 75 -6.021 -0.050 -4.765 1.00 0.00 C ATOM 1110 O VAL A 75 -6.381 -0.163 -5.937 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.921 2.057 -3.759 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.762 1.205 -2.817 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.560 3.382 -3.107 1.00 0.00 C ATOM 0 H VAL A 75 -5.391 2.468 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.018 1.161 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.516 2.259 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.657 1.756 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.051 0.282 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.181 0.966 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.471 3.901 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.943 3.199 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.007 3.998 -3.816 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.934 -1.082 -3.933 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.265 -2.433 -4.360 1.00 0.00 C ATOM 1125 C ILE A 76 -6.974 -3.207 -3.256 1.00 0.00 C ATOM 1126 O ILE A 76 -6.648 -3.070 -2.073 1.00 0.00 O ATOM 1127 CB ILE A 76 -5.003 -3.211 -4.785 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.948 -3.159 -3.679 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.445 -2.646 -6.083 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.983 -4.324 -3.710 1.00 0.00 C ATOM 0 H ILE A 76 -5.637 -1.007 -2.960 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.934 -2.336 -5.215 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.276 -4.253 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.386 -2.229 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.449 -3.138 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.555 -3.205 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.196 -2.730 -6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.185 -1.597 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.263 -4.222 -2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.535 -5.257 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.455 -4.334 -4.664 1.00 0.00 H new