USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=6 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 Set 1.1: A 51 GLN : amide:sc= 0 X(o=0.58,f=0.58) USER MOD Set 1.2: A 69 ASN : amide:sc= 0.584 K(o=0.58,f=-0.094) USER MOD Single : A 23 SER OG : rot 30:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot 74:sc= 0.819 USER MOD Single : A 31 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 65:sc= 0.905 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.0508 X(o=0.051,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 8.073 2.032 -0.926 1.00 0.00 N ATOM 109 CA ILE A 21 6.680 1.762 -1.275 1.00 0.00 C ATOM 110 C ILE A 21 5.854 1.677 0.010 1.00 0.00 C ATOM 111 O ILE A 21 4.830 2.351 0.141 1.00 0.00 O ATOM 112 CB ILE A 21 6.591 0.450 -2.082 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.295 0.601 -3.453 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.137 -0.012 -2.294 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.476 -0.716 -4.220 1.00 0.00 C ATOM 0 HA ILE A 21 6.283 2.566 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 21 7.100 -0.313 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.719 1.291 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.274 1.054 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.130 -0.939 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.664 -0.180 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.587 0.756 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.977 -0.519 -5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.080 -1.403 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.500 -1.163 -4.411 1.00 0.00 H new ATOM 127 N LEU A 22 6.249 0.791 0.930 1.00 0.00 N ATOM 128 CA LEU A 22 5.415 0.324 2.026 1.00 0.00 C ATOM 129 C LEU A 22 5.088 1.428 3.016 1.00 0.00 C ATOM 130 O LEU A 22 4.027 1.355 3.641 1.00 0.00 O ATOM 131 CB LEU A 22 6.103 -0.835 2.769 1.00 0.00 C ATOM 132 CG LEU A 22 6.102 -2.190 2.035 1.00 0.00 C ATOM 133 CD1 LEU A 22 6.621 -3.276 2.970 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.708 -2.583 1.556 1.00 0.00 C ATOM 0 H LEU A 22 7.180 0.373 0.927 1.00 0.00 H new ATOM 0 HA LEU A 22 4.480 -0.019 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.136 -0.552 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.614 -0.965 3.735 1.00 0.00 H new ATOM 0 HG LEU A 22 6.746 -2.088 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.620 -4.234 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.637 -3.033 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.978 -3.338 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.757 -3.544 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.038 -2.661 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.332 -1.825 0.869 1.00 0.00 H new ATOM 146 N SER A 23 5.954 2.434 3.150 1.00 0.00 N ATOM 147 CA SER A 23 5.639 3.579 4.010 1.00 0.00 C ATOM 148 C SER A 23 4.556 4.450 3.364 1.00 0.00 C ATOM 149 O SER A 23 3.713 5.032 4.044 1.00 0.00 O ATOM 150 CB SER A 23 6.894 4.385 4.353 1.00 0.00 C ATOM 151 OG SER A 23 6.662 5.208 5.486 1.00 0.00 O ATOM 0 H SER A 23 6.861 2.482 2.685 1.00 0.00 H new ATOM 0 HA SER A 23 5.244 3.201 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.725 3.708 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.182 5.001 3.501 1.00 0.00 H new ATOM 0 HG SER A 23 6.004 4.779 6.072 1.00 0.00 H new ATOM 157 N GLY A 24 4.505 4.475 2.032 1.00 0.00 N ATOM 158 CA GLY A 24 3.406 5.081 1.319 1.00 0.00 C ATOM 159 C GLY A 24 2.084 4.414 1.689 1.00 0.00 C ATOM 160 O GLY A 24 1.118 5.115 1.995 1.00 0.00 O ATOM 0 H GLY A 24 5.225 4.075 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.359 6.145 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.573 4.996 0.245 1.00 0.00 H new ATOM 164 N ILE A 25 2.030 3.080 1.612 1.00 0.00 N ATOM 165 CA ILE A 25 0.808 2.296 1.815 1.00 0.00 C ATOM 166 C ILE A 25 0.343 2.401 3.269 1.00 0.00 C ATOM 167 O ILE A 25 -0.858 2.469 3.507 1.00 0.00 O ATOM 168 CB ILE A 25 1.035 0.820 1.417 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.487 0.707 -0.058 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.237 -0.030 1.630 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.883 -0.717 -0.453 1.00 0.00 C ATOM 0 H ILE A 25 2.847 2.506 1.404 1.00 0.00 H new ATOM 0 HA ILE A 25 0.026 2.703 1.174 1.00 0.00 H new ATOM 0 HB ILE A 25 1.822 0.435 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.680 1.047 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.333 1.373 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.038 -1.062 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.524 0.002 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.048 0.369 1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.191 -0.732 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.710 -1.052 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.031 -1.383 -0.316 1.00 0.00 H new ATOM 183 N GLU A 26 1.277 2.399 4.219 1.00 0.00 N ATOM 184 CA GLU A 26 1.057 2.614 5.648 1.00 0.00 C ATOM 185 C GLU A 26 0.197 3.861 5.843 1.00 0.00 C ATOM 186 O GLU A 26 -0.899 3.789 6.404 1.00 0.00 O ATOM 187 CB GLU A 26 2.453 2.684 6.292 1.00 0.00 C ATOM 188 CG GLU A 26 2.630 3.408 7.636 1.00 0.00 C ATOM 189 CD GLU A 26 3.739 4.467 7.493 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.890 4.067 7.177 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.442 5.676 7.615 1.00 0.00 O ATOM 0 H GLU A 26 2.260 2.239 4.000 1.00 0.00 H new ATOM 0 HA GLU A 26 0.502 1.811 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.804 1.660 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.121 3.160 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.694 3.881 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.890 2.694 8.417 1.00 0.00 H new ATOM 198 N GLU A 27 0.666 4.983 5.307 1.00 0.00 N ATOM 199 CA GLU A 27 -0.028 6.257 5.377 1.00 0.00 C ATOM 200 C GLU A 27 -1.392 6.150 4.673 1.00 0.00 C ATOM 201 O GLU A 27 -2.399 6.634 5.195 1.00 0.00 O ATOM 202 CB GLU A 27 0.899 7.292 4.721 1.00 0.00 C ATOM 203 CG GLU A 27 0.453 8.754 4.819 1.00 0.00 C ATOM 204 CD GLU A 27 0.995 9.444 6.068 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.209 9.762 6.089 1.00 0.00 O ATOM 206 OE2 GLU A 27 0.212 9.709 7.005 1.00 0.00 O ATOM 0 H GLU A 27 1.553 5.030 4.805 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.242 6.557 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.887 7.204 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.007 7.036 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.789 9.294 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.636 8.799 4.826 1.00 0.00 H new ATOM 213 N THR A 28 -1.459 5.514 3.497 1.00 0.00 N ATOM 214 CA THR A 28 -2.703 5.366 2.749 1.00 0.00 C ATOM 215 C THR A 28 -3.739 4.556 3.548 1.00 0.00 C ATOM 216 O THR A 28 -4.903 4.952 3.573 1.00 0.00 O ATOM 217 CB THR A 28 -2.416 4.773 1.350 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.409 5.533 0.695 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.644 4.708 0.418 1.00 0.00 C ATOM 0 H THR A 28 -0.651 5.090 3.042 1.00 0.00 H new ATOM 0 HA THR A 28 -3.147 6.349 2.594 1.00 0.00 H new ATOM 0 HB THR A 28 -2.096 3.748 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.538 5.341 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.351 4.279 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.414 4.086 0.874 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.036 5.713 0.261 1.00 0.00 H new ATOM 227 N PHE A 29 -3.384 3.443 4.198 1.00 0.00 N ATOM 228 CA PHE A 29 -4.329 2.585 4.913 1.00 0.00 C ATOM 229 C PHE A 29 -5.035 3.381 6.013 1.00 0.00 C ATOM 230 O PHE A 29 -6.262 3.318 6.124 1.00 0.00 O ATOM 231 CB PHE A 29 -3.624 1.308 5.412 1.00 0.00 C ATOM 232 CG PHE A 29 -3.634 0.122 4.440 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.543 0.306 3.045 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.759 -1.194 4.935 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.598 -0.795 2.171 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.797 -2.299 4.058 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.725 -2.105 2.666 1.00 0.00 C ATOM 0 H PHE A 29 -2.421 3.110 4.242 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.113 2.245 4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.588 1.554 5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.095 0.995 6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.430 1.302 2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.827 -1.358 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.542 -0.632 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.882 -3.299 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.767 -2.947 1.990 1.00 0.00 H new ATOM 247 N ALA A 30 -4.302 4.204 6.765 1.00 0.00 N ATOM 248 CA ALA A 30 -4.880 5.015 7.828 1.00 0.00 C ATOM 249 C ALA A 30 -5.948 5.996 7.321 1.00 0.00 C ATOM 250 O ALA A 30 -6.952 6.199 8.002 1.00 0.00 O ATOM 251 CB ALA A 30 -3.766 5.752 8.565 1.00 0.00 C ATOM 0 H ALA A 30 -3.295 4.324 6.652 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.394 4.342 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.196 6.360 9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.073 5.028 8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.231 6.395 7.866 1.00 0.00 H new ATOM 257 N GLN A 31 -5.785 6.578 6.126 1.00 0.00 N ATOM 258 CA GLN A 31 -6.764 7.487 5.512 1.00 0.00 C ATOM 259 C GLN A 31 -8.114 6.826 5.218 1.00 0.00 C ATOM 260 O GLN A 31 -9.075 7.528 4.922 1.00 0.00 O ATOM 261 CB GLN A 31 -6.179 8.072 4.213 1.00 0.00 C ATOM 262 CG GLN A 31 -5.990 9.593 4.322 1.00 0.00 C ATOM 263 CD GLN A 31 -5.074 10.167 3.239 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.522 10.738 2.247 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.773 10.001 3.412 1.00 0.00 N ATOM 0 H GLN A 31 -4.957 6.429 5.549 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.957 8.276 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.221 7.599 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.842 7.845 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.964 10.079 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.577 9.832 5.302 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.426 9.524 4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.117 10.350 2.713 1.00 0.00 H new ATOM 274 N PHE A 32 -8.195 5.498 5.287 1.00 0.00 N ATOM 275 CA PHE A 32 -9.407 4.721 5.059 1.00 0.00 C ATOM 276 C PHE A 32 -9.777 3.922 6.313 1.00 0.00 C ATOM 277 O PHE A 32 -10.667 3.071 6.270 1.00 0.00 O ATOM 278 CB PHE A 32 -9.177 3.829 3.838 1.00 0.00 C ATOM 279 CG PHE A 32 -9.125 4.576 2.525 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.937 5.199 2.104 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.262 4.610 1.702 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.878 5.811 0.849 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.202 5.208 0.432 1.00 0.00 C ATOM 284 CZ PHE A 32 -8.999 5.795 0.008 1.00 0.00 C ATOM 0 H PHE A 32 -7.388 4.915 5.511 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.255 5.376 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.242 3.285 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.974 3.087 3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.071 5.205 2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.188 4.174 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.968 6.296 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.070 5.216 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.937 6.238 -0.975 1.00 0.00 H new ATOM 294 N SER A 33 -9.096 4.185 7.436 1.00 0.00 N ATOM 295 CA SER A 33 -9.293 3.476 8.698 1.00 0.00 C ATOM 296 C SER A 33 -8.951 1.981 8.560 1.00 0.00 C ATOM 297 O SER A 33 -9.540 1.139 9.250 1.00 0.00 O ATOM 298 CB SER A 33 -10.733 3.721 9.190 1.00 0.00 C ATOM 299 OG SER A 33 -10.769 4.138 10.543 1.00 0.00 O ATOM 0 H SER A 33 -8.381 4.910 7.489 1.00 0.00 H new ATOM 0 HA SER A 33 -8.607 3.864 9.451 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.205 4.479 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.315 2.806 9.077 1.00 0.00 H new ATOM 0 HG SER A 33 -11.699 4.284 10.816 1.00 0.00 H new ATOM 305 N ILE A 34 -8.046 1.632 7.637 1.00 0.00 N ATOM 306 CA ILE A 34 -7.711 0.242 7.366 1.00 0.00 C ATOM 307 C ILE A 34 -6.589 -0.103 8.342 1.00 0.00 C ATOM 308 O ILE A 34 -5.566 0.592 8.344 1.00 0.00 O ATOM 309 CB ILE A 34 -7.296 0.013 5.895 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.425 0.463 4.946 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.000 -1.483 5.665 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.070 0.368 3.459 1.00 0.00 C ATOM 0 H ILE A 34 -7.533 2.304 7.066 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.575 -0.407 7.507 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.401 0.600 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.309 -0.146 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.691 1.494 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.708 -1.641 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.190 -1.799 6.322 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.893 -2.068 5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.917 0.703 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.206 0.999 3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.833 -0.666 3.207 1.00 0.00 H new ATOM 324 N PRO A 35 -6.721 -1.163 9.153 1.00 0.00 N ATOM 325 CA PRO A 35 -5.661 -1.576 10.052 1.00 0.00 C ATOM 326 C PRO A 35 -4.463 -2.035 9.226 1.00 0.00 C ATOM 327 O PRO A 35 -4.538 -3.046 8.525 1.00 0.00 O ATOM 328 CB PRO A 35 -6.266 -2.684 10.911 1.00 0.00 C ATOM 329 CG PRO A 35 -7.358 -3.280 10.030 1.00 0.00 C ATOM 330 CD PRO A 35 -7.855 -2.072 9.241 1.00 0.00 C ATOM 0 HA PRO A 35 -5.293 -0.778 10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.520 -3.431 11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.675 -2.290 11.841 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.968 -4.059 9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.154 -3.731 10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.198 -2.367 8.249 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.699 -1.598 9.742 1.00 0.00 H new ATOM 338 N TYR A 36 -3.369 -1.279 9.248 1.00 0.00 N ATOM 339 CA TYR A 36 -2.162 -1.657 8.534 1.00 0.00 C ATOM 340 C TYR A 36 -1.510 -2.825 9.262 1.00 0.00 C ATOM 341 O TYR A 36 -1.757 -3.087 10.444 1.00 0.00 O ATOM 342 CB TYR A 36 -1.220 -0.453 8.428 1.00 0.00 C ATOM 343 CG TYR A 36 0.023 -0.641 7.567 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.098 -0.704 6.166 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.307 -0.696 8.150 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.049 -0.808 5.361 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.453 -0.876 7.353 1.00 0.00 C ATOM 348 CZ TYR A 36 2.328 -0.915 5.948 1.00 0.00 C ATOM 349 OH TYR A 36 3.440 -0.971 5.168 1.00 0.00 O ATOM 0 H TYR A 36 -3.298 -0.398 9.756 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.401 -1.972 7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.786 0.390 8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.901 -0.179 9.434 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.076 -0.672 5.708 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.412 -0.599 9.221 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.951 -0.806 4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.423 -0.984 7.815 1.00 0.00 H new ATOM 0 HH TYR A 36 3.546 -0.123 4.688 1.00 0.00 H new ATOM 359 N ASP A 37 -0.647 -3.525 8.545 1.00 0.00 N ATOM 360 CA ASP A 37 0.281 -4.487 9.088 1.00 0.00 C ATOM 361 C ASP A 37 1.433 -4.517 8.126 1.00 0.00 C ATOM 362 O ASP A 37 1.251 -4.977 7.002 1.00 0.00 O ATOM 363 CB ASP A 37 -0.339 -5.884 9.195 1.00 0.00 C ATOM 364 CG ASP A 37 -1.042 -6.124 10.513 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.378 -6.029 11.569 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.225 -6.537 10.499 1.00 0.00 O ATOM 0 H ASP A 37 -0.576 -3.431 7.532 1.00 0.00 H new ATOM 0 HA ASP A 37 0.580 -4.205 10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.050 -6.022 8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.443 -6.632 9.066 1.00 0.00 H new ATOM 371 N LYS A 38 2.609 -4.063 8.561 1.00 0.00 N ATOM 372 CA LYS A 38 3.837 -4.255 7.805 1.00 0.00 C ATOM 373 C LYS A 38 3.924 -5.712 7.351 1.00 0.00 C ATOM 374 O LYS A 38 4.190 -5.950 6.181 1.00 0.00 O ATOM 375 CB LYS A 38 5.036 -3.798 8.636 1.00 0.00 C ATOM 376 CG LYS A 38 6.371 -3.968 7.901 1.00 0.00 C ATOM 377 CD LYS A 38 6.518 -3.286 6.533 1.00 0.00 C ATOM 378 CE LYS A 38 6.598 -1.757 6.603 1.00 0.00 C ATOM 379 NZ LYS A 38 7.929 -1.241 6.997 1.00 0.00 N ATOM 0 H LYS A 38 2.732 -3.558 9.438 1.00 0.00 H new ATOM 0 HA LYS A 38 3.840 -3.641 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.906 -2.750 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.064 -4.365 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.163 -3.594 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.547 -5.035 7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.416 -3.664 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.672 -3.567 5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.333 -1.345 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.855 -1.397 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.905 -0.202 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.177 -1.605 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.641 -1.554 6.307 1.00 0.00 H new ATOM 393 N GLU A 39 3.597 -6.661 8.232 1.00 0.00 N ATOM 394 CA GLU A 39 3.488 -8.085 7.934 1.00 0.00 C ATOM 395 C GLU A 39 2.468 -8.374 6.822 1.00 0.00 C ATOM 396 O GLU A 39 2.828 -8.876 5.760 1.00 0.00 O ATOM 397 CB GLU A 39 3.101 -8.836 9.220 1.00 0.00 C ATOM 398 CG GLU A 39 4.259 -9.039 10.204 1.00 0.00 C ATOM 399 CD GLU A 39 4.954 -10.369 9.915 1.00 0.00 C ATOM 400 OE1 GLU A 39 5.402 -10.581 8.769 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.935 -11.275 10.781 1.00 0.00 O ATOM 0 H GLU A 39 3.394 -6.447 9.208 1.00 0.00 H new ATOM 0 HA GLU A 39 4.456 -8.430 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.305 -8.286 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.694 -9.810 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.972 -8.219 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.885 -9.028 11.228 1.00 0.00 H new ATOM 408 N LYS A 40 1.172 -8.127 7.048 1.00 0.00 N ATOM 409 CA LYS A 40 0.147 -8.580 6.102 1.00 0.00 C ATOM 410 C LYS A 40 0.273 -7.854 4.769 1.00 0.00 C ATOM 411 O LYS A 40 -0.125 -8.410 3.751 1.00 0.00 O ATOM 412 CB LYS A 40 -1.282 -8.413 6.651 1.00 0.00 C ATOM 413 CG LYS A 40 -1.483 -8.881 8.098 1.00 0.00 C ATOM 414 CD LYS A 40 -1.167 -10.346 8.383 1.00 0.00 C ATOM 415 CE LYS A 40 -0.136 -10.405 9.511 1.00 0.00 C ATOM 416 NZ LYS A 40 0.061 -11.792 9.969 1.00 0.00 N ATOM 0 H LYS A 40 0.814 -7.626 7.861 1.00 0.00 H new ATOM 0 HA LYS A 40 0.321 -9.645 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.559 -7.361 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.968 -8.965 6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.861 -8.264 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.520 -8.694 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.073 -10.881 8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.778 -10.832 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.812 -9.994 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.467 -9.786 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.765 -11.808 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.841 -12.173 10.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.398 -12.375 9.176 1.00 0.00 H new ATOM 430 N VAL A 41 0.798 -6.632 4.756 1.00 0.00 N ATOM 431 CA VAL A 41 1.007 -5.857 3.551 1.00 0.00 C ATOM 432 C VAL A 41 2.247 -6.378 2.828 1.00 0.00 C ATOM 433 O VAL A 41 2.100 -6.749 1.666 1.00 0.00 O ATOM 434 CB VAL A 41 1.037 -4.358 3.897 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.457 -3.488 2.713 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.369 -3.928 4.355 1.00 0.00 C ATOM 0 H VAL A 41 1.094 -6.149 5.604 1.00 0.00 H new ATOM 0 HA VAL A 41 0.181 -5.974 2.849 1.00 0.00 H new ATOM 0 HB VAL A 41 1.776 -4.217 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.461 -2.441 3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.457 -3.775 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.754 -3.627 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.362 -2.867 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.084 -4.108 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.658 -4.505 5.234 1.00 0.00 H new ATOM 446 N ARG A 42 3.439 -6.432 3.450 1.00 0.00 N ATOM 447 CA ARG A 42 4.652 -6.935 2.790 1.00 0.00 C ATOM 448 C ARG A 42 4.397 -8.322 2.218 1.00 0.00 C ATOM 449 O ARG A 42 4.839 -8.616 1.113 1.00 0.00 O ATOM 450 CB ARG A 42 5.875 -6.922 3.736 1.00 0.00 C ATOM 451 CG ARG A 42 5.919 -8.084 4.730 1.00 0.00 C ATOM 452 CD ARG A 42 7.024 -7.951 5.757 1.00 0.00 C ATOM 453 NE ARG A 42 8.348 -8.206 5.187 1.00 0.00 N ATOM 454 CZ ARG A 42 9.489 -8.078 5.865 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.493 -7.876 7.180 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.640 -8.154 5.215 1.00 0.00 N ATOM 0 H ARG A 42 3.585 -6.131 4.414 1.00 0.00 H new ATOM 0 HA ARG A 42 4.894 -6.262 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.784 -6.940 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.879 -5.984 4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.960 -8.150 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.052 -9.017 4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.002 -6.948 6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.843 -8.649 6.575 1.00 0.00 H new ATOM 0 HE ARG A 42 8.401 -8.500 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.611 -7.816 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.378 -7.781 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.647 -8.309 4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.520 -8.058 5.722 1.00 0.00 H new ATOM 470 N GLU A 43 3.684 -9.170 2.956 1.00 0.00 N ATOM 471 CA GLU A 43 3.453 -10.537 2.553 1.00 0.00 C ATOM 472 C GLU A 43 2.471 -10.574 1.382 1.00 0.00 C ATOM 473 O GLU A 43 2.719 -11.288 0.415 1.00 0.00 O ATOM 474 CB GLU A 43 3.027 -11.341 3.785 1.00 0.00 C ATOM 475 CG GLU A 43 3.038 -12.844 3.513 1.00 0.00 C ATOM 476 CD GLU A 43 3.182 -13.641 4.805 1.00 0.00 C ATOM 477 OE1 GLU A 43 2.144 -13.998 5.419 1.00 0.00 O ATOM 478 OE2 GLU A 43 4.323 -14.030 5.141 1.00 0.00 O ATOM 0 H GLU A 43 3.255 -8.920 3.847 1.00 0.00 H new ATOM 0 HA GLU A 43 4.359 -11.011 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.697 -11.117 4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.027 -11.034 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.116 -13.131 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.860 -13.088 2.840 1.00 0.00 H new ATOM 485 N PHE A 44 1.399 -9.776 1.413 1.00 0.00 N ATOM 486 CA PHE A 44 0.485 -9.603 0.289 1.00 0.00 C ATOM 487 C PHE A 44 1.244 -9.108 -0.941 1.00 0.00 C ATOM 488 O PHE A 44 1.213 -9.774 -1.968 1.00 0.00 O ATOM 489 CB PHE A 44 -0.628 -8.617 0.677 1.00 0.00 C ATOM 490 CG PHE A 44 -1.717 -8.475 -0.360 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.445 -7.963 -1.641 1.00 0.00 C ATOM 492 CD2 PHE A 44 -3.015 -8.908 -0.051 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.417 -8.027 -2.641 1.00 0.00 C ATOM 494 CE2 PHE A 44 -4.017 -8.899 -1.032 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.701 -8.486 -2.338 1.00 0.00 C ATOM 0 H PHE A 44 1.142 -9.226 2.233 1.00 0.00 H new ATOM 0 HA PHE A 44 0.033 -10.563 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.076 -8.943 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.184 -7.638 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.483 -7.520 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.244 -9.250 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.176 -7.722 -3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.023 -9.207 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.455 -8.524 -3.111 1.00 0.00 H new ATOM 505 N ILE A 45 1.872 -7.928 -0.889 1.00 0.00 N ATOM 506 CA ILE A 45 2.486 -7.323 -2.074 1.00 0.00 C ATOM 507 C ILE A 45 3.568 -8.234 -2.675 1.00 0.00 C ATOM 508 O ILE A 45 3.630 -8.349 -3.895 1.00 0.00 O ATOM 509 CB ILE A 45 2.985 -5.882 -1.807 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.003 -5.780 -0.653 1.00 0.00 C ATOM 511 CG2 ILE A 45 1.799 -4.946 -1.509 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.238 -4.948 -0.976 1.00 0.00 C ATOM 0 H ILE A 45 1.968 -7.374 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 45 1.707 -7.227 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 45 3.498 -5.577 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.507 -5.349 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.320 -6.785 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.169 -3.938 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.122 -4.933 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.265 -5.304 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.900 -4.929 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.762 -5.389 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.936 -3.931 -1.225 1.00 0.00 H new ATOM 524 N PHE A 46 4.343 -8.953 -1.852 1.00 0.00 N ATOM 525 CA PHE A 46 5.327 -9.923 -2.331 1.00 0.00 C ATOM 526 C PHE A 46 4.661 -11.110 -3.031 1.00 0.00 C ATOM 527 O PHE A 46 5.284 -11.777 -3.861 1.00 0.00 O ATOM 528 CB PHE A 46 6.171 -10.445 -1.155 1.00 0.00 C ATOM 529 CG PHE A 46 7.420 -9.626 -0.845 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.349 -8.226 -0.703 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.677 -10.251 -0.740 1.00 0.00 C ATOM 532 CE1 PHE A 46 8.504 -7.465 -0.456 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.836 -9.490 -0.502 1.00 0.00 C ATOM 534 CZ PHE A 46 9.754 -8.095 -0.364 1.00 0.00 C ATOM 0 H PHE A 46 4.303 -8.876 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 46 5.963 -9.410 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.545 -10.476 -0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.471 -11.471 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.393 -7.731 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.752 -11.323 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.429 -6.394 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.795 -9.982 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.646 -7.512 -0.188 1.00 0.00 H new ATOM 544 N LYS A 47 3.437 -11.457 -2.644 1.00 0.00 N ATOM 545 CA LYS A 47 2.686 -12.560 -3.222 1.00 0.00 C ATOM 546 C LYS A 47 1.923 -12.131 -4.470 1.00 0.00 C ATOM 547 O LYS A 47 1.773 -12.969 -5.357 1.00 0.00 O ATOM 548 CB LYS A 47 1.717 -13.083 -2.164 1.00 0.00 C ATOM 549 CG LYS A 47 2.377 -14.057 -1.189 1.00 0.00 C ATOM 550 CD LYS A 47 1.340 -14.654 -0.236 1.00 0.00 C ATOM 551 CE LYS A 47 0.718 -13.698 0.779 1.00 0.00 C ATOM 552 NZ LYS A 47 0.018 -14.442 1.855 1.00 0.00 N ATOM 0 H LYS A 47 2.932 -10.968 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 47 3.380 -13.343 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.305 -12.241 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.881 -13.579 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.871 -14.855 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.149 -13.541 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.537 -15.087 -0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.809 -15.473 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.495 -13.069 1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.015 -13.035 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.395 -13.768 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.738 -15.024 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.696 -15.057 2.350 1.00 0.00 H new ATOM 566 N TYR A 48 1.458 -10.881 -4.558 1.00 0.00 N ATOM 567 CA TYR A 48 0.681 -10.416 -5.700 1.00 0.00 C ATOM 568 C TYR A 48 1.265 -9.111 -6.218 1.00 0.00 C ATOM 569 O TYR A 48 2.160 -9.168 -7.062 1.00 0.00 O ATOM 570 CB TYR A 48 -0.809 -10.312 -5.325 1.00 0.00 C ATOM 571 CG TYR A 48 -1.356 -11.609 -4.774 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.737 -12.632 -5.658 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.334 -11.838 -3.385 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.067 -13.901 -5.159 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.612 -13.120 -2.883 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.980 -14.158 -3.771 1.00 0.00 C ATOM 577 OH TYR A 48 -2.220 -15.411 -3.297 1.00 0.00 O ATOM 0 H TYR A 48 1.611 -10.171 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 48 0.741 -11.137 -6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.941 -9.522 -4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.383 -10.023 -6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.776 -12.442 -6.720 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.104 -11.030 -2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.387 -14.681 -5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.545 -13.313 -1.822 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.117 -15.417 -2.322 1.00 0.00 H new ATOM 587 N SER A 49 0.858 -7.954 -5.680 1.00 0.00 N ATOM 588 CA SER A 49 1.349 -6.648 -6.076 1.00 0.00 C ATOM 589 C SER A 49 0.642 -5.567 -5.257 1.00 0.00 C ATOM 590 O SER A 49 -0.216 -5.851 -4.416 1.00 0.00 O ATOM 591 CB SER A 49 1.088 -6.412 -7.570 1.00 0.00 C ATOM 592 OG SER A 49 2.160 -5.683 -8.132 1.00 0.00 O ATOM 0 H SER A 49 0.159 -7.910 -4.938 1.00 0.00 H new ATOM 0 HA SER A 49 2.423 -6.604 -5.894 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.975 -7.366 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.154 -5.866 -7.704 1.00 0.00 H new ATOM 0 HG SER A 49 1.991 -5.536 -9.086 1.00 0.00 H new ATOM 598 N VAL A 50 1.002 -4.316 -5.525 1.00 0.00 N ATOM 599 CA VAL A 50 0.479 -3.118 -4.880 1.00 0.00 C ATOM 600 C VAL A 50 -0.925 -2.725 -5.347 1.00 0.00 C ATOM 601 O VAL A 50 -1.801 -2.489 -4.510 1.00 0.00 O ATOM 602 CB VAL A 50 1.485 -1.974 -4.913 1.00 0.00 C ATOM 603 CG1 VAL A 50 2.829 -2.333 -4.260 1.00 0.00 C ATOM 604 CG2 VAL A 50 1.673 -1.571 -6.339 1.00 0.00 C ATOM 0 H VAL A 50 1.702 -4.100 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 50 0.340 -3.372 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 50 1.091 -1.146 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.501 -1.477 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.667 -2.599 -3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.274 -3.178 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.390 -0.752 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.048 -2.420 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.719 -1.247 -6.754 1.00 0.00 H new ATOM 614 N GLN A 51 -1.149 -2.664 -6.663 1.00 0.00 N ATOM 615 CA GLN A 51 -2.458 -2.346 -7.234 1.00 0.00 C ATOM 616 C GLN A 51 -3.435 -3.398 -6.732 1.00 0.00 C ATOM 617 O GLN A 51 -4.486 -3.046 -6.219 1.00 0.00 O ATOM 618 CB GLN A 51 -2.419 -2.307 -8.775 1.00 0.00 C ATOM 619 CG GLN A 51 -3.769 -1.955 -9.437 1.00 0.00 C ATOM 620 CD GLN A 51 -3.740 -0.631 -10.203 1.00 0.00 C ATOM 621 OE1 GLN A 51 -3.887 -0.587 -11.423 1.00 0.00 O ATOM 622 NE2 GLN A 51 -3.588 0.486 -9.517 1.00 0.00 N ATOM 0 H GLN A 51 -0.426 -2.834 -7.362 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.771 -1.350 -6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.673 -1.578 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.090 -3.279 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.051 -2.756 -10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.541 -1.906 -8.669 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.466 0.450 -8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.593 1.385 -9.999 1.00 0.00 H new ATOM 631 N ASP A 52 -3.028 -4.663 -6.810 1.00 0.00 N ATOM 632 CA ASP A 52 -3.790 -5.827 -6.382 1.00 0.00 C ATOM 633 C ASP A 52 -4.225 -5.688 -4.934 1.00 0.00 C ATOM 634 O ASP A 52 -5.401 -5.887 -4.638 1.00 0.00 O ATOM 635 CB ASP A 52 -2.912 -7.067 -6.593 1.00 0.00 C ATOM 636 CG ASP A 52 -3.717 -8.357 -6.539 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.180 -8.758 -7.628 1.00 0.00 O ATOM 638 OD2 ASP A 52 -3.794 -8.971 -5.452 1.00 0.00 O ATOM 0 H ASP A 52 -2.115 -4.913 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.703 -5.920 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.409 -6.994 -7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.134 -7.094 -5.830 1.00 0.00 H new ATOM 643 N LEU A 53 -3.327 -5.242 -4.042 1.00 0.00 N ATOM 644 CA LEU A 53 -3.702 -5.021 -2.644 1.00 0.00 C ATOM 645 C LEU A 53 -4.808 -3.968 -2.551 1.00 0.00 C ATOM 646 O LEU A 53 -5.816 -4.195 -1.884 1.00 0.00 O ATOM 647 CB LEU A 53 -2.433 -4.684 -1.842 1.00 0.00 C ATOM 648 CG LEU A 53 -2.524 -4.475 -0.304 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.035 -3.068 0.006 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.792 -4.969 0.390 1.00 0.00 C ATOM 0 H LEU A 53 -2.353 -5.031 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.128 -5.921 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.714 -5.484 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.010 -3.775 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.850 -5.174 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.088 -2.893 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.004 -2.959 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.663 -2.342 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.726 -4.762 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.658 -4.455 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.897 -6.043 0.234 1.00 0.00 H new ATOM 662 N LEU A 54 -4.654 -2.836 -3.241 1.00 0.00 N ATOM 663 CA LEU A 54 -5.627 -1.747 -3.192 1.00 0.00 C ATOM 664 C LEU A 54 -6.953 -2.116 -3.865 1.00 0.00 C ATOM 665 O LEU A 54 -7.992 -1.658 -3.398 1.00 0.00 O ATOM 666 CB LEU A 54 -5.038 -0.453 -3.778 1.00 0.00 C ATOM 667 CG LEU A 54 -3.827 0.092 -2.993 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.231 1.321 -3.687 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.142 0.456 -1.536 1.00 0.00 C ATOM 0 H LEU A 54 -3.854 -2.650 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.853 -1.569 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.738 -0.636 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.816 0.310 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.109 -0.728 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.379 1.685 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.903 1.049 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.986 2.104 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.240 0.831 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.914 1.225 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.496 -0.430 -1.008 1.00 0.00 H new ATOM 681 N VAL A 55 -6.956 -2.931 -4.923 1.00 0.00 N ATOM 682 CA VAL A 55 -8.188 -3.423 -5.537 1.00 0.00 C ATOM 683 C VAL A 55 -8.919 -4.298 -4.527 1.00 0.00 C ATOM 684 O VAL A 55 -10.080 -4.052 -4.215 1.00 0.00 O ATOM 685 CB VAL A 55 -7.921 -4.174 -6.858 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.212 -4.794 -7.424 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.380 -3.217 -7.929 1.00 0.00 C ATOM 0 H VAL A 55 -6.106 -3.267 -5.376 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.817 -2.573 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.195 -4.954 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.988 -5.315 -8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.623 -5.500 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.940 -4.006 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.199 -3.768 -8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.110 -2.429 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.447 -2.773 -7.582 1.00 0.00 H new ATOM 697 N ARG A 56 -8.250 -5.321 -4.001 1.00 0.00 N ATOM 698 CA ARG A 56 -8.788 -6.313 -3.138 1.00 0.00 C ATOM 699 C ARG A 56 -9.377 -5.677 -1.893 1.00 0.00 C ATOM 700 O ARG A 56 -10.507 -5.977 -1.525 1.00 0.00 O ATOM 701 CB ARG A 56 -7.584 -7.213 -2.901 1.00 0.00 C ATOM 702 CG ARG A 56 -7.879 -8.187 -1.803 1.00 0.00 C ATOM 703 CD ARG A 56 -7.396 -9.564 -2.209 1.00 0.00 C ATOM 704 NE ARG A 56 -7.558 -10.516 -1.107 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.558 -11.842 -1.240 1.00 0.00 C ATOM 706 NH1 ARG A 56 -7.254 -12.430 -2.393 1.00 0.00 N ATOM 707 NH2 ARG A 56 -7.819 -12.599 -0.191 1.00 0.00 N ATOM 0 H ARG A 56 -7.259 -5.468 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.630 -6.880 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.335 -7.749 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.715 -6.610 -2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.387 -7.874 -0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.950 -8.210 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.955 -9.909 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.347 -9.515 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.680 -10.136 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.012 -11.864 -3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.262 -13.447 -2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.018 -12.168 0.712 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.821 -13.615 -0.283 1.00 0.00 H new ATOM 721 N VAL A 57 -8.621 -4.818 -1.219 1.00 0.00 N ATOM 722 CA VAL A 57 -9.101 -4.218 0.015 1.00 0.00 C ATOM 723 C VAL A 57 -10.303 -3.300 -0.241 1.00 0.00 C ATOM 724 O VAL A 57 -11.174 -3.196 0.620 1.00 0.00 O ATOM 725 CB VAL A 57 -7.913 -3.568 0.741 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.404 -2.249 0.168 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.208 -3.377 2.225 1.00 0.00 C ATOM 0 H VAL A 57 -7.686 -4.526 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.499 -4.975 0.691 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.110 -4.287 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.566 -1.892 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.077 -2.401 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.205 -1.510 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.348 -2.915 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.080 -2.734 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.407 -4.345 2.684 1.00 0.00 H new ATOM 737 N ALA A 58 -10.375 -2.660 -1.411 1.00 0.00 N ATOM 738 CA ALA A 58 -11.544 -1.870 -1.802 1.00 0.00 C ATOM 739 C ALA A 58 -12.779 -2.719 -2.091 1.00 0.00 C ATOM 740 O ALA A 58 -13.891 -2.288 -1.782 1.00 0.00 O ATOM 741 CB ALA A 58 -11.235 -1.019 -3.036 1.00 0.00 C ATOM 0 H ALA A 58 -9.631 -2.675 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.769 -1.235 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.117 -0.440 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.411 -0.341 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.956 -1.669 -3.866 1.00 0.00 H new ATOM 747 N GLU A 59 -12.574 -3.887 -2.694 1.00 0.00 N ATOM 748 CA GLU A 59 -13.602 -4.863 -3.016 1.00 0.00 C ATOM 749 C GLU A 59 -14.203 -5.400 -1.711 1.00 0.00 C ATOM 750 O GLU A 59 -15.422 -5.475 -1.551 1.00 0.00 O ATOM 751 CB GLU A 59 -12.936 -5.980 -3.835 1.00 0.00 C ATOM 752 CG GLU A 59 -13.906 -6.871 -4.612 1.00 0.00 C ATOM 753 CD GLU A 59 -13.294 -8.260 -4.798 1.00 0.00 C ATOM 754 OE1 GLU A 59 -12.547 -8.483 -5.782 1.00 0.00 O ATOM 755 OE2 GLU A 59 -13.453 -9.129 -3.909 1.00 0.00 O ATOM 0 H GLU A 59 -11.644 -4.189 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.412 -4.425 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.237 -5.528 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.350 -6.605 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.852 -6.949 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.125 -6.427 -5.583 1.00 0.00 H new ATOM 762 N ASP A 60 -13.332 -5.742 -0.755 1.00 0.00 N ATOM 763 CA ASP A 60 -13.706 -6.301 0.541 1.00 0.00 C ATOM 764 C ASP A 60 -14.526 -5.288 1.345 1.00 0.00 C ATOM 765 O ASP A 60 -15.528 -5.621 1.987 1.00 0.00 O ATOM 766 CB ASP A 60 -12.438 -6.683 1.331 1.00 0.00 C ATOM 767 CG ASP A 60 -12.669 -7.875 2.266 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.781 -8.062 2.817 1.00 0.00 O ATOM 769 OD2 ASP A 60 -11.719 -8.649 2.512 1.00 0.00 O ATOM 0 H ASP A 60 -12.324 -5.634 -0.868 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.313 -7.191 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.636 -6.923 0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.105 -5.825 1.916 1.00 0.00 H new ATOM 774 N ARG A 61 -14.077 -4.032 1.331 1.00 0.00 N ATOM 775 CA ARG A 61 -14.655 -2.890 2.040 1.00 0.00 C ATOM 776 C ARG A 61 -15.633 -2.171 1.113 1.00 0.00 C ATOM 777 O ARG A 61 -16.117 -2.779 0.163 1.00 0.00 O ATOM 778 CB ARG A 61 -13.527 -2.034 2.623 1.00 0.00 C ATOM 779 CG ARG A 61 -12.698 -2.912 3.577 1.00 0.00 C ATOM 780 CD ARG A 61 -12.324 -2.174 4.854 1.00 0.00 C ATOM 781 NE ARG A 61 -11.823 -3.094 5.887 1.00 0.00 N ATOM 782 CZ ARG A 61 -10.755 -3.896 5.811 1.00 0.00 C ATOM 783 NH1 ARG A 61 -9.883 -3.793 4.820 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.554 -4.832 6.718 1.00 0.00 N ATOM 0 H ARG A 61 -13.251 -3.770 0.793 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.250 -3.192 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.897 -1.641 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.938 -1.177 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.265 -3.808 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.791 -3.241 3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.563 -1.426 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.195 -1.640 5.234 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.350 -3.124 6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.018 -3.091 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.076 -4.416 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.216 -4.949 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.737 -5.439 6.652 1.00 0.00 H new ATOM 798 N ASN A 62 -16.028 -0.934 1.426 1.00 0.00 N ATOM 799 CA ASN A 62 -16.925 -0.153 0.573 1.00 0.00 C ATOM 800 C ASN A 62 -16.207 1.076 0.057 1.00 0.00 C ATOM 801 O ASN A 62 -16.579 2.216 0.339 1.00 0.00 O ATOM 802 CB ASN A 62 -18.227 0.163 1.283 1.00 0.00 C ATOM 803 CG ASN A 62 -19.290 0.490 0.248 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.995 -0.407 -0.200 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.420 1.723 -0.196 1.00 0.00 N ATOM 0 H ASN A 62 -15.736 -0.448 2.274 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.205 -0.748 -0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.541 -0.687 1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.091 1.005 1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.110 1.936 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.831 2.465 0.181 1.00 0.00 H new ATOM 812 N LEU A 63 -15.078 0.826 -0.590 1.00 0.00 N ATOM 813 CA LEU A 63 -14.114 1.842 -1.000 1.00 0.00 C ATOM 814 C LEU A 63 -13.967 1.813 -2.513 1.00 0.00 C ATOM 815 O LEU A 63 -14.491 0.922 -3.176 1.00 0.00 O ATOM 816 CB LEU A 63 -12.754 1.607 -0.323 1.00 0.00 C ATOM 817 CG LEU A 63 -12.817 1.385 1.198 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.417 1.020 1.711 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.377 2.621 1.904 1.00 0.00 C ATOM 0 H LEU A 63 -14.797 -0.118 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.476 2.822 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.281 0.739 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.112 2.464 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.494 0.560 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.454 0.861 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.077 0.108 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.725 1.832 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.413 2.441 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.735 3.478 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.383 2.825 1.537 1.00 0.00 H new ATOM 831 N ASP A 64 -13.227 2.760 -3.077 1.00 0.00 N ATOM 832 CA ASP A 64 -12.990 2.814 -4.508 1.00 0.00 C ATOM 833 C ASP A 64 -11.488 2.803 -4.704 1.00 0.00 C ATOM 834 O ASP A 64 -10.768 3.556 -4.033 1.00 0.00 O ATOM 835 CB ASP A 64 -13.625 4.071 -5.106 1.00 0.00 C ATOM 836 CG ASP A 64 -14.504 3.723 -6.293 1.00 0.00 C ATOM 837 OD1 ASP A 64 -13.949 3.373 -7.358 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.746 3.808 -6.165 1.00 0.00 O ATOM 0 H ASP A 64 -12.776 3.510 -2.553 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.442 1.963 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.218 4.580 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.844 4.764 -5.418 1.00 0.00 H new ATOM 843 N VAL A 65 -10.999 1.957 -5.610 1.00 0.00 N ATOM 844 CA VAL A 65 -9.576 1.892 -5.903 1.00 0.00 C ATOM 845 C VAL A 65 -9.076 3.236 -6.450 1.00 0.00 C ATOM 846 O VAL A 65 -7.920 3.595 -6.245 1.00 0.00 O ATOM 847 CB VAL A 65 -9.272 0.666 -6.782 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.990 0.745 -8.125 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.769 0.518 -7.016 1.00 0.00 C ATOM 0 H VAL A 65 -11.571 1.309 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.003 1.736 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.638 -0.208 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.751 -0.138 -8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.066 0.791 -7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.666 1.639 -8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.582 -0.356 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.389 1.409 -7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.262 0.395 -6.059 1.00 0.00 H new ATOM 859 N GLU A 66 -9.955 4.020 -7.064 1.00 0.00 N ATOM 860 CA GLU A 66 -9.733 5.371 -7.544 1.00 0.00 C ATOM 861 C GLU A 66 -9.272 6.292 -6.417 1.00 0.00 C ATOM 862 O GLU A 66 -8.261 6.984 -6.533 1.00 0.00 O ATOM 863 CB GLU A 66 -11.069 5.847 -8.133 1.00 0.00 C ATOM 864 CG GLU A 66 -11.539 4.970 -9.296 1.00 0.00 C ATOM 865 CD GLU A 66 -10.421 4.702 -10.305 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.938 5.646 -10.973 1.00 0.00 O ATOM 867 OE2 GLU A 66 -9.952 3.543 -10.370 1.00 0.00 O ATOM 0 H GLU A 66 -10.906 3.702 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.943 5.391 -8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.828 5.847 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.966 6.876 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.910 4.022 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.374 5.456 -9.801 1.00 0.00 H new ATOM 874 N VAL A 67 -9.989 6.279 -5.296 1.00 0.00 N ATOM 875 CA VAL A 67 -9.641 7.083 -4.131 1.00 0.00 C ATOM 876 C VAL A 67 -8.324 6.561 -3.573 1.00 0.00 C ATOM 877 O VAL A 67 -7.442 7.340 -3.228 1.00 0.00 O ATOM 878 CB VAL A 67 -10.778 7.044 -3.094 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.590 8.082 -1.977 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.142 7.320 -3.739 1.00 0.00 C ATOM 0 H VAL A 67 -10.827 5.711 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.513 8.130 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.746 6.038 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.419 8.012 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.653 7.889 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.565 9.082 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.919 7.284 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.133 8.307 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.345 6.565 -4.499 1.00 0.00 H new ATOM 890 N LEU A 68 -8.161 5.237 -3.506 1.00 0.00 N ATOM 891 CA LEU A 68 -6.934 4.649 -2.990 1.00 0.00 C ATOM 892 C LEU A 68 -5.732 5.055 -3.832 1.00 0.00 C ATOM 893 O LEU A 68 -4.663 5.256 -3.270 1.00 0.00 O ATOM 894 CB LEU A 68 -7.060 3.122 -2.913 1.00 0.00 C ATOM 895 CG LEU A 68 -8.028 2.674 -1.804 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.392 1.202 -1.960 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.394 2.849 -0.426 1.00 0.00 C ATOM 0 H LEU A 68 -8.863 4.559 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.774 5.031 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.407 2.739 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.077 2.687 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.920 3.294 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.077 0.910 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.871 1.046 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.488 0.596 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.097 2.526 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.487 2.248 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.145 3.899 -0.271 1.00 0.00 H new ATOM 909 N ASN A 69 -5.897 5.203 -5.147 1.00 0.00 N ATOM 910 CA ASN A 69 -4.868 5.690 -6.059 1.00 0.00 C ATOM 911 C ASN A 69 -4.520 7.138 -5.721 1.00 0.00 C ATOM 912 O ASN A 69 -3.345 7.434 -5.492 1.00 0.00 O ATOM 913 CB ASN A 69 -5.334 5.574 -7.517 1.00 0.00 C ATOM 914 CG ASN A 69 -4.973 4.250 -8.156 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.966 4.137 -8.842 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.755 3.210 -7.954 1.00 0.00 N ATOM 0 H ASN A 69 -6.774 4.981 -5.617 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.976 5.075 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.415 5.707 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.892 6.383 -8.098 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.522 2.308 -8.370 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.594 3.306 -7.382 1.00 0.00 H new ATOM 923 N GLN A 70 -5.519 8.030 -5.647 1.00 0.00 N ATOM 924 CA GLN A 70 -5.295 9.426 -5.300 1.00 0.00 C ATOM 925 C GLN A 70 -4.588 9.551 -3.943 1.00 0.00 C ATOM 926 O GLN A 70 -3.604 10.285 -3.849 1.00 0.00 O ATOM 927 CB GLN A 70 -6.602 10.232 -5.355 1.00 0.00 C ATOM 928 CG GLN A 70 -6.968 10.717 -6.772 1.00 0.00 C ATOM 929 CD GLN A 70 -7.813 11.995 -6.738 1.00 0.00 C ATOM 930 OE1 GLN A 70 -7.295 13.104 -6.857 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.117 11.895 -6.584 1.00 0.00 N ATOM 0 H GLN A 70 -6.496 7.798 -5.826 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.629 9.858 -6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.415 9.617 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.515 11.095 -4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.056 10.900 -7.340 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.517 9.933 -7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.550 10.977 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.694 12.736 -6.564 1.00 0.00 H new ATOM 940 N VAL A 71 -5.005 8.806 -2.914 1.00 0.00 N ATOM 941 CA VAL A 71 -4.343 8.799 -1.614 1.00 0.00 C ATOM 942 C VAL A 71 -2.922 8.246 -1.746 1.00 0.00 C ATOM 943 O VAL A 71 -1.996 8.789 -1.142 1.00 0.00 O ATOM 944 CB VAL A 71 -5.203 8.043 -0.597 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.475 7.955 0.745 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.512 8.816 -0.378 1.00 0.00 C ATOM 0 H VAL A 71 -5.816 8.189 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.239 9.817 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.401 7.041 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.095 7.416 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.531 7.427 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.279 8.960 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.131 8.285 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.287 9.813 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.048 8.899 -1.323 1.00 0.00 H new ATOM 956 N ARG A 72 -2.705 7.199 -2.552 1.00 0.00 N ATOM 957 CA ARG A 72 -1.368 6.647 -2.713 1.00 0.00 C ATOM 958 C ARG A 72 -0.398 7.703 -3.252 1.00 0.00 C ATOM 959 O ARG A 72 0.779 7.679 -2.881 1.00 0.00 O ATOM 960 CB ARG A 72 -1.383 5.363 -3.575 1.00 0.00 C ATOM 961 CG ARG A 72 -0.210 4.486 -3.138 1.00 0.00 C ATOM 962 CD ARG A 72 0.080 3.238 -3.975 1.00 0.00 C ATOM 963 NE ARG A 72 1.464 3.201 -4.491 1.00 0.00 N ATOM 964 CZ ARG A 72 2.635 3.377 -3.854 1.00 0.00 C ATOM 965 NH1 ARG A 72 2.725 3.689 -2.559 1.00 0.00 N ATOM 966 NH2 ARG A 72 3.761 3.242 -4.539 1.00 0.00 N ATOM 0 H ARG A 72 -3.431 6.728 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.004 6.353 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.325 4.830 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.298 5.613 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.688 5.103 -3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.389 4.170 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.100 2.350 -3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.616 3.199 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 72 1.544 3.012 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.878 3.805 -2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.641 3.811 -2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.729 3.009 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.660 3.372 -4.074 1.00 0.00 H new ATOM 980 N ALA A 73 -0.864 8.625 -4.101 1.00 0.00 N ATOM 981 CA ALA A 73 -0.034 9.681 -4.670 1.00 0.00 C ATOM 982 C ALA A 73 0.366 10.759 -3.654 1.00 0.00 C ATOM 983 O ALA A 73 1.328 11.483 -3.920 1.00 0.00 O ATOM 984 CB ALA A 73 -0.763 10.337 -5.847 1.00 0.00 C ATOM 0 H ALA A 73 -1.835 8.656 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 73 0.887 9.203 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.139 11.125 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.967 9.588 -6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.703 10.766 -5.499 1.00 0.00 H new ATOM 990 N GLN A 74 -0.352 10.898 -2.532 1.00 0.00 N ATOM 991 CA GLN A 74 -0.055 11.898 -1.513 1.00 0.00 C ATOM 992 C GLN A 74 1.230 11.513 -0.778 1.00 0.00 C ATOM 993 O GLN A 74 2.182 12.290 -0.795 1.00 0.00 O ATOM 994 CB GLN A 74 -1.212 12.024 -0.503 1.00 0.00 C ATOM 995 CG GLN A 74 -2.614 12.102 -1.107 1.00 0.00 C ATOM 996 CD GLN A 74 -2.858 13.287 -2.028 1.00 0.00 C ATOM 997 OE1 GLN A 74 -2.599 14.442 -1.701 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.363 13.031 -3.221 1.00 0.00 N ATOM 0 H GLN A 74 -1.158 10.314 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 74 0.074 12.862 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.175 11.170 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.047 12.916 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.804 11.184 -1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.340 12.138 -0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.577 12.070 -3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.539 13.794 -3.875 1.00 0.00 H new