USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 450 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 70:sc= 0.368 USER MOD Single : A 31 GLN : amide:sc= 0.0421 X(o=0.042,f=-0.34) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 110:sc= 0.688 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0.568) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0872 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.15) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.119 F(o=-2.4,f=-0.12) USER MOD Single : A 69 ASN : amide:sc= -0.529 K(o=-0.53,f=-1.3) USER MOD Single : A 70 GLN : amide:sc= 0.401 K(o=0.4,f=-0.27) USER MOD Single : A 74 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 8.003 2.178 -1.063 1.00 0.00 N ATOM 109 CA ILE A 21 6.641 1.926 -1.528 1.00 0.00 C ATOM 110 C ILE A 21 5.713 1.667 -0.343 1.00 0.00 C ATOM 111 O ILE A 21 4.646 2.284 -0.265 1.00 0.00 O ATOM 112 CB ILE A 21 6.676 0.724 -2.487 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.274 1.176 -3.839 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.303 0.050 -2.677 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.674 0.019 -4.759 1.00 0.00 C ATOM 0 HA ILE A 21 6.252 2.797 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 21 7.309 -0.041 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.547 1.803 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.150 1.795 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.402 -0.789 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.938 -0.310 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.596 0.773 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.085 0.417 -5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.425 -0.596 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.797 -0.589 -4.982 1.00 0.00 H new ATOM 127 N LEU A 22 6.089 0.733 0.539 1.00 0.00 N ATOM 128 CA LEU A 22 5.320 0.339 1.710 1.00 0.00 C ATOM 129 C LEU A 22 5.005 1.557 2.559 1.00 0.00 C ATOM 130 O LEU A 22 3.864 1.700 2.990 1.00 0.00 O ATOM 131 CB LEU A 22 6.093 -0.710 2.533 1.00 0.00 C ATOM 132 CG LEU A 22 6.085 -2.113 1.898 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.146 -3.037 2.507 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.721 -2.757 2.074 1.00 0.00 C ATOM 0 H LEU A 22 6.965 0.219 0.448 1.00 0.00 H new ATOM 0 HA LEU A 22 4.382 -0.109 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.125 -0.379 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.660 -0.769 3.531 1.00 0.00 H new ATOM 0 HG LEU A 22 6.315 -1.981 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.098 -4.013 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.135 -2.605 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.960 -3.151 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.726 -3.749 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.494 -2.844 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.963 -2.141 1.590 1.00 0.00 H new ATOM 146 N SER A 23 5.968 2.463 2.720 1.00 0.00 N ATOM 147 CA SER A 23 5.799 3.684 3.476 1.00 0.00 C ATOM 148 C SER A 23 4.722 4.588 2.855 1.00 0.00 C ATOM 149 O SER A 23 4.026 5.309 3.570 1.00 0.00 O ATOM 150 CB SER A 23 7.172 4.345 3.534 1.00 0.00 C ATOM 151 OG SER A 23 8.001 3.684 4.471 1.00 0.00 O ATOM 0 H SER A 23 6.900 2.359 2.319 1.00 0.00 H new ATOM 0 HA SER A 23 5.440 3.483 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.636 4.320 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.066 5.394 3.810 1.00 0.00 H new ATOM 0 HG SER A 23 8.879 4.119 4.495 1.00 0.00 H new ATOM 157 N GLY A 24 4.516 4.512 1.538 1.00 0.00 N ATOM 158 CA GLY A 24 3.418 5.166 0.841 1.00 0.00 C ATOM 159 C GLY A 24 2.078 4.572 1.258 1.00 0.00 C ATOM 160 O GLY A 24 1.169 5.297 1.667 1.00 0.00 O ATOM 0 H GLY A 24 5.125 3.980 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.430 6.234 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.549 5.057 -0.236 1.00 0.00 H new ATOM 164 N ILE A 25 1.960 3.245 1.165 1.00 0.00 N ATOM 165 CA ILE A 25 0.746 2.494 1.492 1.00 0.00 C ATOM 166 C ILE A 25 0.373 2.725 2.965 1.00 0.00 C ATOM 167 O ILE A 25 -0.803 2.798 3.304 1.00 0.00 O ATOM 168 CB ILE A 25 0.947 0.988 1.173 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.349 0.764 -0.305 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.332 0.188 1.479 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.717 -0.688 -0.631 1.00 0.00 C ATOM 0 H ILE A 25 2.726 2.648 0.852 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.082 2.849 0.879 1.00 0.00 H new ATOM 0 HB ILE A 25 1.758 0.634 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.524 1.073 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.197 1.406 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.167 -0.864 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.583 0.293 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.153 0.569 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.987 -0.767 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.562 -0.996 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.864 -1.334 -0.426 1.00 0.00 H new ATOM 183 N GLU A 26 1.363 2.872 3.834 1.00 0.00 N ATOM 184 CA GLU A 26 1.271 3.072 5.280 1.00 0.00 C ATOM 185 C GLU A 26 0.732 4.452 5.661 1.00 0.00 C ATOM 186 O GLU A 26 0.356 4.685 6.811 1.00 0.00 O ATOM 187 CB GLU A 26 2.686 2.779 5.765 1.00 0.00 C ATOM 188 CG GLU A 26 3.031 2.706 7.254 1.00 0.00 C ATOM 189 CD GLU A 26 4.337 1.911 7.476 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.987 1.441 6.502 1.00 0.00 O ATOM 191 OE2 GLU A 26 4.694 1.649 8.644 1.00 0.00 O ATOM 0 H GLU A 26 2.334 2.853 3.523 1.00 0.00 H new ATOM 0 HA GLU A 26 0.543 2.419 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.978 1.824 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.332 3.541 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.140 3.713 7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.214 2.232 7.798 1.00 0.00 H new ATOM 198 N GLU A 27 0.599 5.347 4.684 1.00 0.00 N ATOM 199 CA GLU A 27 -0.053 6.639 4.816 1.00 0.00 C ATOM 200 C GLU A 27 -1.334 6.680 3.974 1.00 0.00 C ATOM 201 O GLU A 27 -2.213 7.500 4.249 1.00 0.00 O ATOM 202 CB GLU A 27 0.975 7.693 4.408 1.00 0.00 C ATOM 203 CG GLU A 27 0.651 9.134 4.800 1.00 0.00 C ATOM 204 CD GLU A 27 1.819 10.061 4.438 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.982 9.738 4.789 1.00 0.00 O ATOM 206 OE2 GLU A 27 1.579 11.110 3.805 1.00 0.00 O ATOM 0 H GLU A 27 0.958 5.181 3.744 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.376 6.833 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.935 7.425 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.099 7.651 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.254 9.462 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.451 9.191 5.870 1.00 0.00 H new ATOM 213 N THR A 28 -1.489 5.777 2.998 1.00 0.00 N ATOM 214 CA THR A 28 -2.755 5.522 2.327 1.00 0.00 C ATOM 215 C THR A 28 -3.724 4.861 3.307 1.00 0.00 C ATOM 216 O THR A 28 -4.821 5.367 3.502 1.00 0.00 O ATOM 217 CB THR A 28 -2.543 4.667 1.059 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.478 5.197 0.289 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.809 4.596 0.196 1.00 0.00 C ATOM 0 H THR A 28 -0.723 5.198 2.652 1.00 0.00 H new ATOM 0 HA THR A 28 -3.190 6.467 2.000 1.00 0.00 H new ATOM 0 HB THR A 28 -2.301 3.656 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.630 5.046 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.615 3.985 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.619 4.152 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.094 5.601 -0.115 1.00 0.00 H new ATOM 227 N PHE A 29 -3.340 3.748 3.934 1.00 0.00 N ATOM 228 CA PHE A 29 -4.239 2.909 4.712 1.00 0.00 C ATOM 229 C PHE A 29 -4.928 3.743 5.807 1.00 0.00 C ATOM 230 O PHE A 29 -6.159 3.764 5.876 1.00 0.00 O ATOM 231 CB PHE A 29 -3.484 1.665 5.238 1.00 0.00 C ATOM 232 CG PHE A 29 -3.462 0.427 4.328 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.439 0.532 2.921 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.482 -0.865 4.894 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.481 -0.620 2.109 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.515 -2.018 4.081 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.519 -1.908 2.677 1.00 0.00 C ATOM 0 H PHE A 29 -2.380 3.403 3.912 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.042 2.526 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.453 1.955 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.928 1.377 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.389 1.507 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.472 -0.974 5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.484 -0.513 1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.537 -2.995 4.540 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.550 -2.788 2.052 1.00 0.00 H new ATOM 247 N ALA A 30 -4.169 4.497 6.609 1.00 0.00 N ATOM 248 CA ALA A 30 -4.728 5.329 7.674 1.00 0.00 C ATOM 249 C ALA A 30 -5.725 6.389 7.177 1.00 0.00 C ATOM 250 O ALA A 30 -6.694 6.687 7.879 1.00 0.00 O ATOM 251 CB ALA A 30 -3.593 5.997 8.448 1.00 0.00 C ATOM 0 H ALA A 30 -3.153 4.546 6.537 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.297 4.664 8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.010 6.617 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.951 5.232 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.008 6.619 7.771 1.00 0.00 H new ATOM 257 N GLN A 31 -5.552 6.935 5.969 1.00 0.00 N ATOM 258 CA GLN A 31 -6.448 7.925 5.365 1.00 0.00 C ATOM 259 C GLN A 31 -7.844 7.368 5.033 1.00 0.00 C ATOM 260 O GLN A 31 -8.748 8.117 4.662 1.00 0.00 O ATOM 261 CB GLN A 31 -5.764 8.478 4.107 1.00 0.00 C ATOM 262 CG GLN A 31 -5.070 9.809 4.424 1.00 0.00 C ATOM 263 CD GLN A 31 -4.280 10.433 3.271 1.00 0.00 C ATOM 264 OE1 GLN A 31 -4.751 11.321 2.563 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.036 10.025 3.071 1.00 0.00 N ATOM 0 H GLN A 31 -4.764 6.694 5.369 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.623 8.717 6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.035 7.759 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.501 8.623 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.825 10.523 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.392 9.654 5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.641 9.289 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.473 10.447 2.332 1.00 0.00 H new ATOM 274 N PHE A 32 -8.019 6.058 5.171 1.00 0.00 N ATOM 275 CA PHE A 32 -9.274 5.334 5.005 1.00 0.00 C ATOM 276 C PHE A 32 -9.614 4.480 6.237 1.00 0.00 C ATOM 277 O PHE A 32 -10.555 3.683 6.192 1.00 0.00 O ATOM 278 CB PHE A 32 -9.171 4.486 3.737 1.00 0.00 C ATOM 279 CG PHE A 32 -9.092 5.287 2.463 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.844 5.693 1.965 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.263 5.609 1.760 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.768 6.420 0.771 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.184 6.306 0.545 1.00 0.00 C ATOM 284 CZ PHE A 32 -8.937 6.738 0.059 1.00 0.00 C ATOM 0 H PHE A 32 -7.246 5.439 5.415 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.094 6.046 4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.288 3.851 3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.036 3.825 3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.941 5.444 2.504 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.226 5.320 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.807 6.738 0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.082 6.511 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.878 7.310 -0.855 1.00 0.00 H new ATOM 294 N SER A 33 -8.867 4.621 7.341 1.00 0.00 N ATOM 295 CA SER A 33 -9.062 3.877 8.592 1.00 0.00 C ATOM 296 C SER A 33 -8.696 2.389 8.421 1.00 0.00 C ATOM 297 O SER A 33 -9.228 1.518 9.120 1.00 0.00 O ATOM 298 CB SER A 33 -10.507 4.099 9.086 1.00 0.00 C ATOM 299 OG SER A 33 -10.665 4.093 10.494 1.00 0.00 O ATOM 0 H SER A 33 -8.087 5.276 7.389 1.00 0.00 H new ATOM 0 HA SER A 33 -8.386 4.253 9.360 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.865 5.053 8.699 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.144 3.323 8.660 1.00 0.00 H new ATOM 0 HG SER A 33 -11.607 4.242 10.718 1.00 0.00 H new ATOM 305 N ILE A 34 -7.853 2.058 7.440 1.00 0.00 N ATOM 306 CA ILE A 34 -7.537 0.683 7.076 1.00 0.00 C ATOM 307 C ILE A 34 -6.427 0.195 8.021 1.00 0.00 C ATOM 308 O ILE A 34 -5.396 0.866 8.151 1.00 0.00 O ATOM 309 CB ILE A 34 -7.131 0.593 5.592 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.277 1.080 4.681 1.00 0.00 C ATOM 311 CG2 ILE A 34 -6.740 -0.836 5.197 1.00 0.00 C ATOM 312 CD1 ILE A 34 -7.883 1.190 3.204 1.00 0.00 C ATOM 0 H ILE A 34 -7.366 2.750 6.871 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.409 0.039 7.188 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.262 1.238 5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.120 0.395 4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.619 2.054 5.031 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.460 -0.859 4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.896 -1.163 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.586 -1.503 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.738 1.538 2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.061 1.898 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.569 0.213 2.837 1.00 0.00 H new ATOM 324 N PRO A 35 -6.599 -0.967 8.671 1.00 0.00 N ATOM 325 CA PRO A 35 -5.669 -1.467 9.669 1.00 0.00 C ATOM 326 C PRO A 35 -4.371 -1.955 9.019 1.00 0.00 C ATOM 327 O PRO A 35 -4.316 -3.036 8.421 1.00 0.00 O ATOM 328 CB PRO A 35 -6.443 -2.572 10.385 1.00 0.00 C ATOM 329 CG PRO A 35 -7.390 -3.121 9.327 1.00 0.00 C ATOM 330 CD PRO A 35 -7.739 -1.863 8.543 1.00 0.00 C ATOM 0 HA PRO A 35 -5.341 -0.702 10.373 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.774 -3.347 10.759 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.990 -2.181 11.243 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.912 -3.874 8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.271 -3.586 9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.931 -2.099 7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.643 -1.399 8.937 1.00 0.00 H new ATOM 338 N TYR A 36 -3.312 -1.163 9.143 1.00 0.00 N ATOM 339 CA TYR A 36 -1.997 -1.460 8.585 1.00 0.00 C ATOM 340 C TYR A 36 -1.324 -2.528 9.467 1.00 0.00 C ATOM 341 O TYR A 36 -1.456 -2.537 10.692 1.00 0.00 O ATOM 342 CB TYR A 36 -1.201 -0.147 8.438 1.00 0.00 C ATOM 343 CG TYR A 36 0.090 -0.249 7.638 1.00 0.00 C ATOM 344 CD1 TYR A 36 0.106 -0.140 6.226 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.293 -0.523 8.313 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.304 -0.304 5.510 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.489 -0.702 7.600 1.00 0.00 C ATOM 348 CZ TYR A 36 2.505 -0.573 6.196 1.00 0.00 C ATOM 349 OH TYR A 36 3.667 -0.665 5.504 1.00 0.00 O ATOM 0 H TYR A 36 -3.344 -0.276 9.646 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.057 -1.882 7.582 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.843 0.596 7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.962 0.226 9.434 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.810 0.071 5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.297 -0.596 9.390 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.304 -0.224 4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.400 -0.939 8.129 1.00 0.00 H new ATOM 0 HH TYR A 36 4.234 0.107 5.712 1.00 0.00 H new ATOM 359 N ASP A 37 -0.655 -3.480 8.832 1.00 0.00 N ATOM 360 CA ASP A 37 0.196 -4.524 9.390 1.00 0.00 C ATOM 361 C ASP A 37 1.342 -4.690 8.417 1.00 0.00 C ATOM 362 O ASP A 37 1.151 -5.299 7.358 1.00 0.00 O ATOM 363 CB ASP A 37 -0.481 -5.898 9.487 1.00 0.00 C ATOM 364 CG ASP A 37 -1.055 -6.293 10.825 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.361 -6.073 11.847 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.082 -7.014 10.833 1.00 0.00 O ATOM 0 H ASP A 37 -0.698 -3.548 7.815 1.00 0.00 H new ATOM 0 HA ASP A 37 0.476 -4.221 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.285 -5.931 8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.248 -6.655 9.196 1.00 0.00 H new ATOM 371 N LYS A 38 2.514 -4.124 8.720 1.00 0.00 N ATOM 372 CA LYS A 38 3.660 -4.156 7.810 1.00 0.00 C ATOM 373 C LYS A 38 3.846 -5.547 7.222 1.00 0.00 C ATOM 374 O LYS A 38 3.987 -5.637 6.007 1.00 0.00 O ATOM 375 CB LYS A 38 4.918 -3.689 8.527 1.00 0.00 C ATOM 376 CG LYS A 38 6.163 -3.765 7.634 1.00 0.00 C ATOM 377 CD LYS A 38 6.226 -2.864 6.394 1.00 0.00 C ATOM 378 CE LYS A 38 6.241 -1.358 6.697 1.00 0.00 C ATOM 379 NZ LYS A 38 7.396 -0.905 7.495 1.00 0.00 N ATOM 0 H LYS A 38 2.693 -3.634 9.597 1.00 0.00 H new ATOM 0 HA LYS A 38 3.466 -3.472 6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.780 -2.662 8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.074 -4.300 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.031 -3.539 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.270 -4.797 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.120 -3.115 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.369 -3.084 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.230 -0.811 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.325 -1.098 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.328 0.121 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.399 -1.397 8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.276 -1.119 6.984 1.00 0.00 H new ATOM 393 N GLU A 39 3.760 -6.604 8.040 1.00 0.00 N ATOM 394 CA GLU A 39 3.846 -7.977 7.558 1.00 0.00 C ATOM 395 C GLU A 39 2.899 -8.216 6.390 1.00 0.00 C ATOM 396 O GLU A 39 3.319 -8.695 5.345 1.00 0.00 O ATOM 397 CB GLU A 39 3.459 -8.992 8.648 1.00 0.00 C ATOM 398 CG GLU A 39 4.503 -9.278 9.732 1.00 0.00 C ATOM 399 CD GLU A 39 4.653 -10.792 9.923 1.00 0.00 C ATOM 400 OE1 GLU A 39 3.651 -11.505 10.196 1.00 0.00 O ATOM 401 OE2 GLU A 39 5.758 -11.313 9.665 1.00 0.00 O ATOM 0 H GLU A 39 3.630 -6.526 9.049 1.00 0.00 H new ATOM 0 HA GLU A 39 4.884 -8.117 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.552 -8.636 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.209 -9.934 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.461 -8.841 9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.203 -8.812 10.671 1.00 0.00 H new ATOM 408 N LYS A 40 1.606 -7.979 6.593 1.00 0.00 N ATOM 409 CA LYS A 40 0.561 -8.540 5.746 1.00 0.00 C ATOM 410 C LYS A 40 0.498 -7.785 4.436 1.00 0.00 C ATOM 411 O LYS A 40 0.242 -8.399 3.409 1.00 0.00 O ATOM 412 CB LYS A 40 -0.801 -8.513 6.457 1.00 0.00 C ATOM 413 CG LYS A 40 -0.746 -8.961 7.923 1.00 0.00 C ATOM 414 CD LYS A 40 -0.142 -10.330 8.188 1.00 0.00 C ATOM 415 CE LYS A 40 0.083 -10.508 9.693 1.00 0.00 C ATOM 416 NZ LYS A 40 0.914 -11.701 9.967 1.00 0.00 N ATOM 0 H LYS A 40 1.254 -7.392 7.350 1.00 0.00 H new ATOM 0 HA LYS A 40 0.805 -9.582 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.204 -7.501 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.495 -9.157 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.176 -8.221 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.761 -8.952 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.805 -11.110 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.803 -10.432 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.569 -9.621 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.878 -10.605 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.535 -12.206 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.900 -12.331 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.892 -11.406 10.160 1.00 0.00 H new ATOM 430 N VAL A 41 0.738 -6.478 4.448 1.00 0.00 N ATOM 431 CA VAL A 41 0.893 -5.698 3.231 1.00 0.00 C ATOM 432 C VAL A 41 2.137 -6.187 2.483 1.00 0.00 C ATOM 433 O VAL A 41 2.026 -6.525 1.308 1.00 0.00 O ATOM 434 CB VAL A 41 0.911 -4.210 3.621 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.418 -3.242 2.558 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.512 -3.766 3.995 1.00 0.00 C ATOM 0 H VAL A 41 0.830 -5.931 5.304 1.00 0.00 H new ATOM 0 HA VAL A 41 0.064 -5.827 2.535 1.00 0.00 H new ATOM 0 HB VAL A 41 1.619 -4.159 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.384 -2.224 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.445 -3.496 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.788 -3.313 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.503 -2.712 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.175 -3.911 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.869 -4.359 4.837 1.00 0.00 H new ATOM 446 N ARG A 42 3.305 -6.244 3.133 1.00 0.00 N ATOM 447 CA ARG A 42 4.587 -6.592 2.520 1.00 0.00 C ATOM 448 C ARG A 42 4.547 -7.986 1.909 1.00 0.00 C ATOM 449 O ARG A 42 4.893 -8.158 0.743 1.00 0.00 O ATOM 450 CB ARG A 42 5.643 -6.419 3.615 1.00 0.00 C ATOM 451 CG ARG A 42 7.067 -6.880 3.303 1.00 0.00 C ATOM 452 CD ARG A 42 7.368 -8.223 3.989 1.00 0.00 C ATOM 453 NE ARG A 42 8.763 -8.262 4.428 1.00 0.00 N ATOM 454 CZ ARG A 42 9.834 -8.391 3.647 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.753 -8.940 2.438 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.990 -7.941 4.096 1.00 0.00 N ATOM 0 H ARG A 42 3.384 -6.043 4.130 1.00 0.00 H new ATOM 0 HA ARG A 42 4.831 -5.944 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.682 -5.362 3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.302 -6.957 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.194 -6.981 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.780 -6.127 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.706 -8.360 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.173 -9.044 3.299 1.00 0.00 H new ATOM 0 HE ARG A 42 8.932 -8.183 5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.855 -9.274 2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.589 -9.027 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.046 -7.509 5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.828 -8.025 3.521 1.00 0.00 H new ATOM 470 N GLU A 43 4.113 -8.973 2.680 1.00 0.00 N ATOM 471 CA GLU A 43 3.895 -10.342 2.242 1.00 0.00 C ATOM 472 C GLU A 43 2.996 -10.348 1.006 1.00 0.00 C ATOM 473 O GLU A 43 3.325 -10.970 -0.004 1.00 0.00 O ATOM 474 CB GLU A 43 3.262 -11.092 3.423 1.00 0.00 C ATOM 475 CG GLU A 43 2.858 -12.533 3.125 1.00 0.00 C ATOM 476 CD GLU A 43 2.200 -13.155 4.356 1.00 0.00 C ATOM 477 OE1 GLU A 43 0.978 -12.987 4.570 1.00 0.00 O ATOM 478 OE2 GLU A 43 2.865 -13.923 5.083 1.00 0.00 O ATOM 0 H GLU A 43 3.895 -8.835 3.667 1.00 0.00 H new ATOM 0 HA GLU A 43 4.825 -10.833 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.967 -11.092 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.380 -10.543 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.168 -12.559 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.735 -13.114 2.838 1.00 0.00 H new ATOM 485 N PHE A 44 1.858 -9.656 1.084 1.00 0.00 N ATOM 486 CA PHE A 44 0.854 -9.668 0.043 1.00 0.00 C ATOM 487 C PHE A 44 1.370 -9.034 -1.254 1.00 0.00 C ATOM 488 O PHE A 44 1.269 -9.676 -2.298 1.00 0.00 O ATOM 489 CB PHE A 44 -0.424 -9.021 0.575 1.00 0.00 C ATOM 490 CG PHE A 44 -1.554 -9.062 -0.411 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.551 -8.145 -1.467 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.579 -10.021 -0.303 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.516 -8.257 -2.467 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.606 -10.057 -1.263 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.561 -9.176 -2.355 1.00 0.00 C ATOM 0 H PHE A 44 1.614 -9.070 1.882 1.00 0.00 H new ATOM 0 HA PHE A 44 0.617 -10.697 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.728 -9.529 1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.217 -7.984 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.810 -7.360 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.577 -10.727 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.454 -7.624 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.422 -10.757 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.334 -9.209 -3.108 1.00 0.00 H new ATOM 505 N ILE A 45 1.952 -7.826 -1.243 1.00 0.00 N ATOM 506 CA ILE A 45 2.487 -7.225 -2.474 1.00 0.00 C ATOM 507 C ILE A 45 3.493 -8.167 -3.156 1.00 0.00 C ATOM 508 O ILE A 45 3.416 -8.366 -4.366 1.00 0.00 O ATOM 509 CB ILE A 45 3.051 -5.798 -2.257 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.233 -5.746 -1.263 1.00 0.00 C ATOM 511 CG2 ILE A 45 1.906 -4.863 -1.819 1.00 0.00 C ATOM 512 CD1 ILE A 45 4.981 -4.414 -1.205 1.00 0.00 C ATOM 0 H ILE A 45 2.064 -7.252 -0.407 1.00 0.00 H new ATOM 0 HA ILE A 45 1.648 -7.096 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 45 3.463 -5.459 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.858 -5.977 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.942 -6.531 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.297 -3.857 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.139 -4.840 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.472 -5.230 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.791 -4.483 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.394 -4.185 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.293 -3.623 -0.908 1.00 0.00 H new ATOM 524 N PHE A 46 4.354 -8.836 -2.383 1.00 0.00 N ATOM 525 CA PHE A 46 5.322 -9.800 -2.893 1.00 0.00 C ATOM 526 C PHE A 46 4.669 -11.056 -3.477 1.00 0.00 C ATOM 527 O PHE A 46 5.309 -11.793 -4.237 1.00 0.00 O ATOM 528 CB PHE A 46 6.276 -10.185 -1.756 1.00 0.00 C ATOM 529 CG PHE A 46 7.585 -9.424 -1.809 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.590 -9.845 -2.699 1.00 0.00 C ATOM 531 CD2 PHE A 46 7.795 -8.283 -1.012 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.807 -9.147 -2.772 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.014 -7.587 -1.082 1.00 0.00 C ATOM 534 CZ PHE A 46 10.024 -8.022 -1.957 1.00 0.00 C ATOM 0 H PHE A 46 4.395 -8.718 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 46 5.862 -9.326 -3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.789 -9.996 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.480 -11.255 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.425 -10.707 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.017 -7.941 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.577 -9.475 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.175 -6.717 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.965 -7.493 -2.003 1.00 0.00 H new ATOM 544 N LYS A 47 3.439 -11.380 -3.085 1.00 0.00 N ATOM 545 CA LYS A 47 2.691 -12.543 -3.555 1.00 0.00 C ATOM 546 C LYS A 47 1.813 -12.195 -4.755 1.00 0.00 C ATOM 547 O LYS A 47 1.574 -13.074 -5.590 1.00 0.00 O ATOM 548 CB LYS A 47 1.811 -13.040 -2.404 1.00 0.00 C ATOM 549 CG LYS A 47 2.579 -13.891 -1.386 1.00 0.00 C ATOM 550 CD LYS A 47 1.700 -14.264 -0.184 1.00 0.00 C ATOM 551 CE LYS A 47 0.761 -15.422 -0.530 1.00 0.00 C ATOM 552 NZ LYS A 47 0.241 -16.090 0.678 1.00 0.00 N ATOM 0 H LYS A 47 2.918 -10.821 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 47 3.393 -13.314 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.371 -12.183 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.987 -13.626 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.940 -14.799 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.456 -13.343 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.331 -14.542 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.116 -13.398 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.072 -15.048 -1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.292 -16.148 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.391 -16.868 0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.034 -16.470 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.288 -15.404 1.254 1.00 0.00 H new ATOM 566 N TYR A 48 1.329 -10.956 -4.851 1.00 0.00 N ATOM 567 CA TYR A 48 0.414 -10.543 -5.904 1.00 0.00 C ATOM 568 C TYR A 48 0.933 -9.223 -6.481 1.00 0.00 C ATOM 569 O TYR A 48 1.806 -9.269 -7.354 1.00 0.00 O ATOM 570 CB TYR A 48 -1.022 -10.494 -5.325 1.00 0.00 C ATOM 571 CG TYR A 48 -1.423 -11.737 -4.533 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.949 -12.865 -5.185 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.211 -11.789 -3.140 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.206 -14.050 -4.468 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.491 -12.953 -2.407 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.963 -14.101 -3.077 1.00 0.00 C ATOM 577 OH TYR A 48 -2.198 -15.239 -2.371 1.00 0.00 O ATOM 0 H TYR A 48 1.565 -10.211 -4.195 1.00 0.00 H new ATOM 0 HA TYR A 48 0.367 -11.246 -6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.111 -9.621 -4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.727 -10.357 -6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.158 -12.823 -6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.827 -10.919 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.589 -14.920 -4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.346 -12.969 -1.337 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.065 -16.017 -2.951 1.00 0.00 H new ATOM 587 N SER A 49 0.564 -8.071 -5.917 1.00 0.00 N ATOM 588 CA SER A 49 1.095 -6.747 -6.227 1.00 0.00 C ATOM 589 C SER A 49 0.314 -5.717 -5.405 1.00 0.00 C ATOM 590 O SER A 49 -0.608 -6.056 -4.654 1.00 0.00 O ATOM 591 CB SER A 49 0.985 -6.395 -7.727 1.00 0.00 C ATOM 592 OG SER A 49 2.044 -5.545 -8.120 1.00 0.00 O ATOM 0 H SER A 49 -0.153 -8.038 -5.192 1.00 0.00 H new ATOM 0 HA SER A 49 2.156 -6.739 -5.978 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.005 -7.308 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.030 -5.908 -7.922 1.00 0.00 H new ATOM 0 HG SER A 49 1.958 -5.335 -9.073 1.00 0.00 H new ATOM 598 N VAL A 50 0.666 -4.443 -5.575 1.00 0.00 N ATOM 599 CA VAL A 50 -0.058 -3.311 -5.016 1.00 0.00 C ATOM 600 C VAL A 50 -1.463 -3.215 -5.608 1.00 0.00 C ATOM 601 O VAL A 50 -2.407 -3.011 -4.849 1.00 0.00 O ATOM 602 CB VAL A 50 0.764 -2.022 -5.237 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.012 -0.757 -4.803 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.091 -2.081 -4.467 1.00 0.00 C ATOM 0 H VAL A 50 1.483 -4.167 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.187 -3.451 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 50 0.947 -1.966 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.638 0.117 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.910 -0.667 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.227 -0.822 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.652 -1.162 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.889 -2.189 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.675 -2.933 -4.814 1.00 0.00 H new ATOM 614 N GLN A 51 -1.619 -3.384 -6.924 1.00 0.00 N ATOM 615 CA GLN A 51 -2.923 -3.294 -7.570 1.00 0.00 C ATOM 616 C GLN A 51 -3.901 -4.273 -6.933 1.00 0.00 C ATOM 617 O GLN A 51 -5.021 -3.880 -6.617 1.00 0.00 O ATOM 618 CB GLN A 51 -2.756 -3.519 -9.077 1.00 0.00 C ATOM 619 CG GLN A 51 -4.074 -3.615 -9.866 1.00 0.00 C ATOM 620 CD GLN A 51 -4.558 -5.054 -10.035 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.020 -5.799 -10.848 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.555 -5.478 -9.277 1.00 0.00 N ATOM 0 H GLN A 51 -0.850 -3.585 -7.563 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.345 -2.299 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.162 -2.703 -9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.188 -4.437 -9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.842 -3.036 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.938 -3.164 -10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.991 -4.845 -8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.888 -6.438 -9.363 1.00 0.00 H new ATOM 631 N ASP A 52 -3.495 -5.528 -6.733 1.00 0.00 N ATOM 632 CA ASP A 52 -4.413 -6.532 -6.198 1.00 0.00 C ATOM 633 C ASP A 52 -4.772 -6.167 -4.773 1.00 0.00 C ATOM 634 O ASP A 52 -5.933 -6.242 -4.409 1.00 0.00 O ATOM 635 CB ASP A 52 -3.826 -7.946 -6.281 1.00 0.00 C ATOM 636 CG ASP A 52 -4.920 -9.009 -6.273 1.00 0.00 C ATOM 637 OD1 ASP A 52 -5.504 -9.288 -7.343 1.00 0.00 O ATOM 638 OD2 ASP A 52 -5.151 -9.663 -5.234 1.00 0.00 O ATOM 0 H ASP A 52 -2.554 -5.868 -6.930 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.317 -6.539 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.232 -8.041 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.152 -8.111 -5.441 1.00 0.00 H new ATOM 643 N LEU A 53 -3.810 -5.679 -3.987 1.00 0.00 N ATOM 644 CA LEU A 53 -4.025 -5.294 -2.600 1.00 0.00 C ATOM 645 C LEU A 53 -5.034 -4.162 -2.511 1.00 0.00 C ATOM 646 O LEU A 53 -5.964 -4.243 -1.714 1.00 0.00 O ATOM 647 CB LEU A 53 -2.670 -4.930 -1.976 1.00 0.00 C ATOM 648 CG LEU A 53 -2.651 -4.514 -0.486 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.607 -3.002 -0.413 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.669 -5.253 0.382 1.00 0.00 C ATOM 0 H LEU A 53 -2.851 -5.540 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.448 -6.125 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.006 -5.787 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.242 -4.113 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.739 -4.859 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.593 -2.688 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.709 -2.640 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.488 -2.588 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.591 -4.904 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.674 -5.059 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.469 -6.324 0.346 1.00 0.00 H new ATOM 662 N LEU A 54 -4.858 -3.113 -3.311 1.00 0.00 N ATOM 663 CA LEU A 54 -5.744 -1.962 -3.257 1.00 0.00 C ATOM 664 C LEU A 54 -7.133 -2.320 -3.794 1.00 0.00 C ATOM 665 O LEU A 54 -8.106 -1.850 -3.211 1.00 0.00 O ATOM 666 CB LEU A 54 -5.118 -0.746 -3.952 1.00 0.00 C ATOM 667 CG LEU A 54 -3.803 -0.254 -3.313 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.201 0.860 -4.167 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.976 0.284 -1.887 1.00 0.00 C ATOM 0 H LEU A 54 -4.111 -3.040 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.881 -1.673 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.929 -0.997 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.839 0.072 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.150 -1.125 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.272 1.205 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.996 0.481 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.904 1.690 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.010 0.612 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.667 1.127 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.374 -0.503 -1.247 1.00 0.00 H new ATOM 681 N VAL A 55 -7.252 -3.185 -4.813 1.00 0.00 N ATOM 682 CA VAL A 55 -8.547 -3.741 -5.219 1.00 0.00 C ATOM 683 C VAL A 55 -9.164 -4.500 -4.041 1.00 0.00 C ATOM 684 O VAL A 55 -10.265 -4.157 -3.616 1.00 0.00 O ATOM 685 CB VAL A 55 -8.442 -4.607 -6.492 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.758 -5.341 -6.802 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.113 -3.756 -7.730 1.00 0.00 C ATOM 0 H VAL A 55 -6.464 -3.514 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.211 -2.919 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.645 -5.323 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.637 -5.938 -7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.016 -5.994 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.554 -4.612 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.047 -4.400 -8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.898 -3.016 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.160 -3.249 -7.580 1.00 0.00 H new ATOM 697 N ARG A 56 -8.447 -5.497 -3.506 1.00 0.00 N ATOM 698 CA ARG A 56 -8.869 -6.386 -2.426 1.00 0.00 C ATOM 699 C ARG A 56 -9.481 -5.576 -1.313 1.00 0.00 C ATOM 700 O ARG A 56 -10.659 -5.717 -1.032 1.00 0.00 O ATOM 701 CB ARG A 56 -7.672 -7.187 -1.878 1.00 0.00 C ATOM 702 CG ARG A 56 -7.255 -8.349 -2.770 1.00 0.00 C ATOM 703 CD ARG A 56 -8.009 -9.616 -2.435 1.00 0.00 C ATOM 704 NE ARG A 56 -7.583 -10.244 -1.171 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.913 -11.489 -0.807 1.00 0.00 C ATOM 706 NH1 ARG A 56 -8.641 -12.264 -1.602 1.00 0.00 N ATOM 707 NH2 ARG A 56 -7.515 -11.979 0.359 1.00 0.00 N ATOM 0 H ARG A 56 -7.506 -5.713 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.605 -7.085 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.823 -6.515 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.925 -7.571 -0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.431 -8.087 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.185 -8.524 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.074 -9.390 -2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.879 -10.331 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.002 -9.697 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.958 -11.913 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.883 -13.210 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.952 -11.406 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.772 -12.929 0.627 1.00 0.00 H new ATOM 721 N VAL A 57 -8.665 -4.769 -0.649 1.00 0.00 N ATOM 722 CA VAL A 57 -9.077 -4.039 0.545 1.00 0.00 C ATOM 723 C VAL A 57 -10.259 -3.116 0.268 1.00 0.00 C ATOM 724 O VAL A 57 -11.131 -2.971 1.120 1.00 0.00 O ATOM 725 CB VAL A 57 -7.873 -3.309 1.154 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.266 -2.173 0.330 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.206 -2.750 2.537 1.00 0.00 C ATOM 0 H VAL A 57 -7.697 -4.601 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.436 -4.753 1.286 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.120 -4.096 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.424 -1.741 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.921 -2.562 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.020 -1.405 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.333 -2.238 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.034 -2.046 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.489 -3.567 3.201 1.00 0.00 H new ATOM 737 N ALA A 58 -10.293 -2.478 -0.897 1.00 0.00 N ATOM 738 CA ALA A 58 -11.390 -1.589 -1.246 1.00 0.00 C ATOM 739 C ALA A 58 -12.699 -2.339 -1.411 1.00 0.00 C ATOM 740 O ALA A 58 -13.687 -1.940 -0.789 1.00 0.00 O ATOM 741 CB ALA A 58 -11.054 -0.843 -2.545 1.00 0.00 C ATOM 0 H ALA A 58 -9.572 -2.561 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.517 -0.880 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.877 -0.177 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.145 -0.258 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.901 -1.563 -3.349 1.00 0.00 H new ATOM 747 N GLU A 59 -12.681 -3.396 -2.219 1.00 0.00 N ATOM 748 CA GLU A 59 -13.814 -4.263 -2.479 1.00 0.00 C ATOM 749 C GLU A 59 -14.285 -4.869 -1.160 1.00 0.00 C ATOM 750 O GLU A 59 -15.471 -4.823 -0.820 1.00 0.00 O ATOM 751 CB GLU A 59 -13.377 -5.338 -3.482 1.00 0.00 C ATOM 752 CG GLU A 59 -14.529 -6.240 -3.931 1.00 0.00 C ATOM 753 CD GLU A 59 -15.581 -5.430 -4.674 1.00 0.00 C ATOM 754 OE1 GLU A 59 -15.349 -5.091 -5.855 1.00 0.00 O ATOM 755 OE2 GLU A 59 -16.590 -5.048 -4.039 1.00 0.00 O ATOM 0 H GLU A 59 -11.843 -3.678 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.650 -3.711 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.939 -4.855 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.597 -5.951 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.149 -7.032 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.979 -6.724 -3.064 1.00 0.00 H new ATOM 762 N ASP A 60 -13.329 -5.377 -0.380 1.00 0.00 N ATOM 763 CA ASP A 60 -13.534 -5.966 0.927 1.00 0.00 C ATOM 764 C ASP A 60 -14.246 -4.987 1.838 1.00 0.00 C ATOM 765 O ASP A 60 -15.168 -5.394 2.545 1.00 0.00 O ATOM 766 CB ASP A 60 -12.218 -6.358 1.593 1.00 0.00 C ATOM 767 CG ASP A 60 -12.499 -7.257 2.791 1.00 0.00 C ATOM 768 OD1 ASP A 60 -12.749 -8.465 2.585 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.423 -6.789 3.952 1.00 0.00 O ATOM 0 H ASP A 60 -12.349 -5.385 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.135 -6.862 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.578 -6.876 0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.681 -5.465 1.914 1.00 0.00 H new ATOM 774 N ARG A 61 -13.819 -3.717 1.838 1.00 0.00 N ATOM 775 CA ARG A 61 -14.412 -2.711 2.700 1.00 0.00 C ATOM 776 C ARG A 61 -15.684 -2.151 2.081 1.00 0.00 C ATOM 777 O ARG A 61 -16.753 -2.717 2.291 1.00 0.00 O ATOM 778 CB ARG A 61 -13.378 -1.627 3.042 1.00 0.00 C ATOM 779 CG ARG A 61 -12.325 -2.187 4.017 1.00 0.00 C ATOM 780 CD ARG A 61 -12.074 -1.227 5.179 1.00 0.00 C ATOM 781 NE ARG A 61 -11.571 -1.902 6.384 1.00 0.00 N ATOM 782 CZ ARG A 61 -10.544 -2.748 6.493 1.00 0.00 C ATOM 783 NH1 ARG A 61 -9.699 -2.916 5.489 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.359 -3.435 7.609 1.00 0.00 N ATOM 0 H ARG A 61 -13.064 -3.371 1.246 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.709 -3.172 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.892 -1.277 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.876 -0.766 3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.661 -3.149 4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.392 -2.366 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.356 -0.469 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.001 -0.708 5.421 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.071 -1.698 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.829 -2.397 4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.918 -3.565 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.003 -3.320 8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.573 -4.080 7.686 1.00 0.00 H new ATOM 798 N ASN A 62 -15.565 -1.109 1.260 1.00 0.00 N ATOM 799 CA ASN A 62 -16.610 -0.194 0.793 1.00 0.00 C ATOM 800 C ASN A 62 -16.069 0.960 -0.038 1.00 0.00 C ATOM 801 O ASN A 62 -16.722 1.991 -0.183 1.00 0.00 O ATOM 802 CB ASN A 62 -17.469 0.298 1.948 1.00 0.00 C ATOM 803 CG ASN A 62 -16.873 1.268 2.937 1.00 0.00 C ATOM 804 OD1 ASN A 62 -15.607 1.599 2.831 1.00 0.00 O flip ATOM 805 ND2 ASN A 62 -17.532 1.720 3.863 1.00 0.00 N flip ATOM 0 H ASN A 62 -14.656 -0.860 0.869 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.246 -0.771 0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.357 0.765 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.805 -0.577 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.517 1.471 3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.097 2.346 4.541 1.00 0.00 H new ATOM 812 N LEU A 63 -14.820 0.840 -0.460 1.00 0.00 N ATOM 813 CA LEU A 63 -14.021 1.894 -1.083 1.00 0.00 C ATOM 814 C LEU A 63 -13.884 1.580 -2.567 1.00 0.00 C ATOM 815 O LEU A 63 -14.393 0.554 -3.017 1.00 0.00 O ATOM 816 CB LEU A 63 -12.636 1.969 -0.413 1.00 0.00 C ATOM 817 CG LEU A 63 -12.675 2.065 1.121 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.267 1.880 1.697 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.270 3.411 1.538 1.00 0.00 C ATOM 0 H LEU A 63 -14.307 -0.037 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.508 2.861 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.062 1.087 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.103 2.835 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.307 1.271 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.307 1.950 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.882 0.901 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.609 2.657 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.296 3.476 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.656 4.219 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.283 3.499 1.145 1.00 0.00 H new ATOM 831 N ASP A 64 -13.149 2.400 -3.312 1.00 0.00 N ATOM 832 CA ASP A 64 -12.701 2.023 -4.646 1.00 0.00 C ATOM 833 C ASP A 64 -11.196 2.183 -4.705 1.00 0.00 C ATOM 834 O ASP A 64 -10.634 3.100 -4.092 1.00 0.00 O ATOM 835 CB ASP A 64 -13.366 2.853 -5.741 1.00 0.00 C ATOM 836 CG ASP A 64 -13.509 1.998 -6.996 1.00 0.00 C ATOM 837 OD1 ASP A 64 -12.467 1.586 -7.537 1.00 0.00 O ATOM 838 OD2 ASP A 64 -14.656 1.742 -7.436 1.00 0.00 O ATOM 0 H ASP A 64 -12.852 3.329 -3.014 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.987 0.987 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.344 3.200 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.770 3.740 -5.956 1.00 0.00 H new ATOM 843 N VAL A 65 -10.548 1.310 -5.462 1.00 0.00 N ATOM 844 CA VAL A 65 -9.115 1.331 -5.668 1.00 0.00 C ATOM 845 C VAL A 65 -8.692 2.644 -6.323 1.00 0.00 C ATOM 846 O VAL A 65 -7.609 3.142 -6.022 1.00 0.00 O ATOM 847 CB VAL A 65 -8.689 0.076 -6.444 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.440 -0.048 -7.762 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.188 0.050 -6.741 1.00 0.00 C ATOM 0 H VAL A 65 -11.017 0.553 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.590 1.297 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.935 -0.765 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.113 -0.947 -8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.510 -0.111 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.235 0.825 -8.381 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.942 -0.858 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.920 0.921 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.631 0.069 -5.804 1.00 0.00 H new ATOM 859 N GLU A 66 -9.535 3.255 -7.158 1.00 0.00 N ATOM 860 CA GLU A 66 -9.145 4.472 -7.862 1.00 0.00 C ATOM 861 C GLU A 66 -8.974 5.626 -6.872 1.00 0.00 C ATOM 862 O GLU A 66 -8.054 6.442 -7.003 1.00 0.00 O ATOM 863 CB GLU A 66 -10.151 4.814 -8.973 1.00 0.00 C ATOM 864 CG GLU A 66 -10.722 3.613 -9.749 1.00 0.00 C ATOM 865 CD GLU A 66 -9.715 2.688 -10.453 1.00 0.00 C ATOM 866 OE1 GLU A 66 -8.505 2.683 -10.119 1.00 0.00 O ATOM 867 OE2 GLU A 66 -10.142 1.879 -11.307 1.00 0.00 O ATOM 0 H GLU A 66 -10.480 2.930 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.183 4.303 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.981 5.364 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.667 5.485 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.307 3.010 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.413 3.994 -10.501 1.00 0.00 H new ATOM 874 N VAL A 67 -9.818 5.659 -5.836 1.00 0.00 N ATOM 875 CA VAL A 67 -9.721 6.652 -4.777 1.00 0.00 C ATOM 876 C VAL A 67 -8.474 6.375 -3.927 1.00 0.00 C ATOM 877 O VAL A 67 -7.752 7.312 -3.577 1.00 0.00 O ATOM 878 CB VAL A 67 -11.021 6.671 -3.942 1.00 0.00 C ATOM 879 CG1 VAL A 67 -11.085 7.942 -3.085 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.280 6.639 -4.822 1.00 0.00 C ATOM 0 H VAL A 67 -10.584 4.997 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.609 7.648 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.999 5.777 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.006 7.942 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.229 7.970 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.065 8.819 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.167 6.654 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.288 7.510 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.280 5.731 -5.425 1.00 0.00 H new ATOM 890 N LEU A 68 -8.183 5.101 -3.636 1.00 0.00 N ATOM 891 CA LEU A 68 -6.986 4.703 -2.896 1.00 0.00 C ATOM 892 C LEU A 68 -5.719 5.081 -3.659 1.00 0.00 C ATOM 893 O LEU A 68 -4.752 5.542 -3.056 1.00 0.00 O ATOM 894 CB LEU A 68 -6.960 3.187 -2.640 1.00 0.00 C ATOM 895 CG LEU A 68 -8.077 2.650 -1.733 1.00 0.00 C ATOM 896 CD1 LEU A 68 -7.959 1.135 -1.613 1.00 0.00 C ATOM 897 CD2 LEU A 68 -8.031 3.293 -0.350 1.00 0.00 C ATOM 0 H LEU A 68 -8.775 4.317 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.018 5.232 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.017 2.673 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.999 2.928 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.035 2.906 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.753 0.758 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.048 0.684 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.991 0.878 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.835 2.890 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.071 3.077 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.153 4.372 -0.446 1.00 0.00 H new ATOM 909 N ASN A 69 -5.711 4.879 -4.978 1.00 0.00 N ATOM 910 CA ASN A 69 -4.562 5.161 -5.834 1.00 0.00 C ATOM 911 C ASN A 69 -4.254 6.643 -5.810 1.00 0.00 C ATOM 912 O ASN A 69 -3.092 7.036 -5.778 1.00 0.00 O ATOM 913 CB ASN A 69 -4.822 4.756 -7.287 1.00 0.00 C ATOM 914 CG ASN A 69 -4.656 3.267 -7.521 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.756 2.629 -6.980 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.495 2.698 -8.358 1.00 0.00 N ATOM 0 H ASN A 69 -6.514 4.510 -5.486 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.724 4.581 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.833 5.053 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.138 5.300 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.407 1.704 -8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.234 3.250 -8.794 1.00 0.00 H new ATOM 923 N GLN A 70 -5.302 7.460 -5.809 1.00 0.00 N ATOM 924 CA GLN A 70 -5.169 8.896 -5.648 1.00 0.00 C ATOM 925 C GLN A 70 -4.465 9.242 -4.332 1.00 0.00 C ATOM 926 O GLN A 70 -3.470 9.961 -4.370 1.00 0.00 O ATOM 927 CB GLN A 70 -6.544 9.557 -5.815 1.00 0.00 C ATOM 928 CG GLN A 70 -6.677 10.282 -7.159 1.00 0.00 C ATOM 929 CD GLN A 70 -6.144 9.548 -8.394 1.00 0.00 C ATOM 930 OE1 GLN A 70 -5.359 10.121 -9.148 1.00 0.00 O ATOM 931 NE2 GLN A 70 -6.569 8.324 -8.682 1.00 0.00 N ATOM 0 H GLN A 70 -6.265 7.142 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.525 9.302 -6.428 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.322 8.798 -5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.705 10.267 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.732 10.503 -7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.160 11.238 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.220 7.850 -8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.245 7.858 -9.529 1.00 0.00 H new ATOM 940 N VAL A 71 -4.885 8.709 -3.182 1.00 0.00 N ATOM 941 CA VAL A 71 -4.140 8.940 -1.940 1.00 0.00 C ATOM 942 C VAL A 71 -2.713 8.384 -2.032 1.00 0.00 C ATOM 943 O VAL A 71 -1.786 9.005 -1.523 1.00 0.00 O ATOM 944 CB VAL A 71 -4.916 8.381 -0.740 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.115 8.539 0.547 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.252 9.104 -0.539 1.00 0.00 C ATOM 0 H VAL A 71 -5.717 8.127 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.038 10.015 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.095 7.328 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.686 8.135 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.172 7.999 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.913 9.596 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.770 8.678 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.069 10.164 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.868 8.984 -1.430 1.00 0.00 H new ATOM 956 N ARG A 72 -2.479 7.261 -2.712 1.00 0.00 N ATOM 957 CA ARG A 72 -1.128 6.737 -2.925 1.00 0.00 C ATOM 958 C ARG A 72 -0.243 7.710 -3.724 1.00 0.00 C ATOM 959 O ARG A 72 0.981 7.599 -3.640 1.00 0.00 O ATOM 960 CB ARG A 72 -1.263 5.341 -3.554 1.00 0.00 C ATOM 961 CG ARG A 72 0.044 4.606 -3.871 1.00 0.00 C ATOM 962 CD ARG A 72 -0.288 3.183 -4.350 1.00 0.00 C ATOM 963 NE ARG A 72 0.410 2.805 -5.590 1.00 0.00 N ATOM 964 CZ ARG A 72 -0.013 3.028 -6.841 1.00 0.00 C ATOM 965 NH1 ARG A 72 -1.031 3.850 -7.068 1.00 0.00 N ATOM 966 NH2 ARG A 72 0.580 2.416 -7.860 1.00 0.00 N ATOM 0 H ARG A 72 -3.215 6.691 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.601 6.638 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.850 4.718 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.834 5.436 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.601 5.142 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.679 4.567 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.028 2.473 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.363 3.103 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 72 1.304 2.326 -5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.495 4.315 -6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.349 4.016 -8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.357 1.777 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.259 2.585 -8.813 1.00 0.00 H new ATOM 980 N ALA A 73 -0.815 8.678 -4.455 1.00 0.00 N ATOM 981 CA ALA A 73 -0.066 9.781 -5.050 1.00 0.00 C ATOM 982 C ALA A 73 0.395 10.770 -3.973 1.00 0.00 C ATOM 983 O ALA A 73 1.467 11.365 -4.077 1.00 0.00 O ATOM 984 CB ALA A 73 -0.945 10.524 -6.069 1.00 0.00 C ATOM 0 H ALA A 73 -1.816 8.713 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 73 0.809 9.365 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.378 11.345 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.253 9.835 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.828 10.920 -5.567 1.00 0.00 H new ATOM 990 N GLN A 74 -0.446 10.997 -2.968 1.00 0.00 N ATOM 991 CA GLN A 74 -0.318 12.016 -1.941 1.00 0.00 C ATOM 992 C GLN A 74 0.740 11.611 -0.912 1.00 0.00 C ATOM 993 O GLN A 74 1.586 12.442 -0.585 1.00 0.00 O ATOM 994 CB GLN A 74 -1.703 12.250 -1.304 1.00 0.00 C ATOM 995 CG GLN A 74 -2.711 12.708 -2.371 1.00 0.00 C ATOM 996 CD GLN A 74 -4.187 12.516 -2.054 1.00 0.00 C ATOM 997 OE1 GLN A 74 -4.662 12.666 -0.930 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.932 12.175 -3.091 1.00 0.00 N ATOM 0 H GLN A 74 -1.288 10.435 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 74 0.022 12.955 -2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.054 11.332 -0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.627 13.002 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.541 13.767 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.491 12.175 -3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.505 12.059 -4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.934 12.028 -2.972 1.00 0.00 H new