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 58:sc= 1 USER MOD Single : A 31 GLN :FLIP amide:sc= -1.27 F(o=-1.8,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 30:sc= 0 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 66:sc= 0.0271 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0865 F(o=-0.73,f=-0.087) USER MOD Single : A 62 ASN : amide:sc= 0.607 K(o=0.61,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.32 X(o=0.32,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.262 X(o=0.26,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 8.613 2.389 -0.725 1.00 0.00 N ATOM 109 CA ILE A 21 7.293 2.266 -1.321 1.00 0.00 C ATOM 110 C ILE A 21 6.247 1.957 -0.243 1.00 0.00 C ATOM 111 O ILE A 21 5.179 2.577 -0.208 1.00 0.00 O ATOM 112 CB ILE A 21 7.336 1.163 -2.396 1.00 0.00 C ATOM 113 CG1 ILE A 21 8.418 1.394 -3.481 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.955 1.050 -3.053 1.00 0.00 C ATOM 115 CD1 ILE A 21 8.688 0.152 -4.342 1.00 0.00 C ATOM 0 HA ILE A 21 7.006 3.207 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 21 7.606 0.236 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.106 2.215 -4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.346 1.703 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.977 0.271 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.212 0.796 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.693 2.002 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.455 0.382 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.030 -0.664 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.771 -0.144 -4.851 1.00 0.00 H new ATOM 127 N LEU A 22 6.535 0.976 0.622 1.00 0.00 N ATOM 128 CA LEU A 22 5.634 0.507 1.667 1.00 0.00 C ATOM 129 C LEU A 22 5.230 1.661 2.576 1.00 0.00 C ATOM 130 O LEU A 22 4.123 1.616 3.123 1.00 0.00 O ATOM 131 CB LEU A 22 6.281 -0.607 2.517 1.00 0.00 C ATOM 132 CG LEU A 22 6.357 -2.005 1.868 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.009 -3.010 2.820 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.976 -2.550 1.516 1.00 0.00 C ATOM 0 H LEU A 22 7.425 0.478 0.609 1.00 0.00 H new ATOM 0 HA LEU A 22 4.751 0.098 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.293 -0.295 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.724 -0.693 3.450 1.00 0.00 H new ATOM 0 HG LEU A 22 6.948 -1.884 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.052 -3.989 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.019 -2.679 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.421 -3.079 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.079 -3.536 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.374 -2.629 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.487 -1.876 0.813 1.00 0.00 H new ATOM 146 N SER A 23 6.075 2.689 2.713 1.00 0.00 N ATOM 147 CA SER A 23 5.803 3.900 3.447 1.00 0.00 C ATOM 148 C SER A 23 4.468 4.519 3.034 1.00 0.00 C ATOM 149 O SER A 23 3.668 4.906 3.881 1.00 0.00 O ATOM 150 CB SER A 23 6.947 4.869 3.143 1.00 0.00 C ATOM 151 OG SER A 23 8.189 4.485 3.697 1.00 0.00 O ATOM 0 H SER A 23 7.004 2.686 2.292 1.00 0.00 H new ATOM 0 HA SER A 23 5.734 3.683 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.055 4.959 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.683 5.857 3.520 1.00 0.00 H new ATOM 0 HG SER A 23 8.871 5.148 3.461 1.00 0.00 H new ATOM 157 N GLY A 24 4.184 4.580 1.731 1.00 0.00 N ATOM 158 CA GLY A 24 2.957 5.198 1.262 1.00 0.00 C ATOM 159 C GLY A 24 1.742 4.333 1.504 1.00 0.00 C ATOM 160 O GLY A 24 0.643 4.866 1.567 1.00 0.00 O ATOM 0 H GLY A 24 4.785 4.211 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.822 6.156 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.044 5.406 0.196 1.00 0.00 H new ATOM 164 N ILE A 25 1.904 3.016 1.619 1.00 0.00 N ATOM 165 CA ILE A 25 0.788 2.096 1.776 1.00 0.00 C ATOM 166 C ILE A 25 0.220 2.205 3.191 1.00 0.00 C ATOM 167 O ILE A 25 -0.997 2.146 3.344 1.00 0.00 O ATOM 168 CB ILE A 25 1.218 0.657 1.441 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.942 0.604 0.074 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.026 -0.258 1.434 1.00 0.00 C ATOM 171 CD1 ILE A 25 2.312 -0.821 -0.338 1.00 0.00 C ATOM 0 H ILE A 25 2.816 2.560 1.605 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.001 2.367 1.074 1.00 0.00 H new ATOM 0 HB ILE A 25 1.918 0.307 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.302 1.045 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.846 1.211 0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.274 -1.279 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.498 -0.238 2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.733 0.095 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.817 -0.801 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.976 -1.255 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.407 -1.424 -0.414 1.00 0.00 H new ATOM 183 N GLU A 26 1.083 2.393 4.192 1.00 0.00 N ATOM 184 CA GLU A 26 0.693 2.725 5.560 1.00 0.00 C ATOM 185 C GLU A 26 -0.198 3.964 5.510 1.00 0.00 C ATOM 186 O GLU A 26 -1.364 3.914 5.911 1.00 0.00 O ATOM 187 CB GLU A 26 1.979 2.903 6.388 1.00 0.00 C ATOM 188 CG GLU A 26 1.811 3.580 7.758 1.00 0.00 C ATOM 189 CD GLU A 26 2.629 4.875 7.819 1.00 0.00 C ATOM 190 OE1 GLU A 26 3.834 4.812 8.158 1.00 0.00 O ATOM 191 OE2 GLU A 26 2.103 5.957 7.477 1.00 0.00 O ATOM 0 H GLU A 26 2.093 2.317 4.069 1.00 0.00 H new ATOM 0 HA GLU A 26 0.111 1.940 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.426 1.921 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.687 3.487 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.758 3.799 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.133 2.901 8.548 1.00 0.00 H new ATOM 198 N GLU A 27 0.328 5.039 4.919 1.00 0.00 N ATOM 199 CA GLU A 27 -0.381 6.302 4.815 1.00 0.00 C ATOM 200 C GLU A 27 -1.692 6.141 4.025 1.00 0.00 C ATOM 201 O GLU A 27 -2.681 6.805 4.353 1.00 0.00 O ATOM 202 CB GLU A 27 0.552 7.349 4.176 1.00 0.00 C ATOM 203 CG GLU A 27 0.174 8.794 4.531 1.00 0.00 C ATOM 204 CD GLU A 27 0.534 9.137 5.976 1.00 0.00 C ATOM 205 OE1 GLU A 27 1.679 9.569 6.220 1.00 0.00 O ATOM 206 OE2 GLU A 27 -0.355 8.957 6.852 1.00 0.00 O ATOM 0 H GLU A 27 1.258 5.051 4.501 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.662 6.645 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.576 7.159 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.532 7.231 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.686 9.480 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.896 8.937 4.379 1.00 0.00 H new ATOM 213 N THR A 28 -1.711 5.258 3.008 1.00 0.00 N ATOM 214 CA THR A 28 -2.896 4.963 2.228 1.00 0.00 C ATOM 215 C THR A 28 -3.945 4.378 3.180 1.00 0.00 C ATOM 216 O THR A 28 -5.026 4.940 3.369 1.00 0.00 O ATOM 217 CB THR A 28 -2.641 4.000 1.032 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.519 4.341 0.254 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.821 3.918 0.042 1.00 0.00 C ATOM 0 H THR A 28 -0.888 4.732 2.714 1.00 0.00 H new ATOM 0 HA THR A 28 -3.242 5.891 1.773 1.00 0.00 H new ATOM 0 HB THR A 28 -2.486 3.046 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.722 4.366 0.823 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.572 3.229 -0.765 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.709 3.561 0.563 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.017 4.907 -0.373 1.00 0.00 H new ATOM 227 N PHE A 29 -3.632 3.232 3.782 1.00 0.00 N ATOM 228 CA PHE A 29 -4.581 2.442 4.555 1.00 0.00 C ATOM 229 C PHE A 29 -5.192 3.314 5.661 1.00 0.00 C ATOM 230 O PHE A 29 -6.410 3.307 5.849 1.00 0.00 O ATOM 231 CB PHE A 29 -3.881 1.172 5.093 1.00 0.00 C ATOM 232 CG PHE A 29 -3.772 -0.038 4.159 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.483 0.097 2.785 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.919 -1.337 4.685 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.326 -1.041 1.971 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.742 -2.477 3.876 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.431 -2.336 2.512 1.00 0.00 C ATOM 0 H PHE A 29 -2.698 2.823 3.744 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.406 2.104 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.872 1.450 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.410 0.854 5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.381 1.082 2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.172 -1.461 5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.122 -0.919 0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.846 -3.463 4.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.276 -3.206 1.891 1.00 0.00 H new ATOM 247 N ALA A 30 -4.376 4.134 6.325 1.00 0.00 N ATOM 248 CA ALA A 30 -4.834 5.031 7.371 1.00 0.00 C ATOM 249 C ALA A 30 -5.869 6.067 6.896 1.00 0.00 C ATOM 250 O ALA A 30 -6.804 6.357 7.653 1.00 0.00 O ATOM 251 CB ALA A 30 -3.616 5.715 7.974 1.00 0.00 C ATOM 0 H ALA A 30 -3.373 4.190 6.146 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.358 4.435 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.935 6.395 8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.946 4.963 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.094 6.277 7.200 1.00 0.00 H new ATOM 257 N GLN A 31 -5.779 6.598 5.667 1.00 0.00 N ATOM 258 CA GLN A 31 -6.747 7.553 5.127 1.00 0.00 C ATOM 259 C GLN A 31 -8.131 6.960 4.862 1.00 0.00 C ATOM 260 O GLN A 31 -9.068 7.694 4.556 1.00 0.00 O ATOM 261 CB GLN A 31 -6.210 8.151 3.819 1.00 0.00 C ATOM 262 CG GLN A 31 -5.612 9.532 4.109 1.00 0.00 C ATOM 263 CD GLN A 31 -5.332 10.422 2.915 1.00 0.00 C ATOM 264 OE1 GLN A 31 -4.064 10.580 2.581 1.00 0.00 O flip ATOM 265 NE2 GLN A 31 -6.216 10.997 2.286 1.00 0.00 N flip ATOM 0 H GLN A 31 -5.025 6.372 5.018 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.871 8.316 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.453 7.496 3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.013 8.235 3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.292 10.063 4.776 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.678 9.390 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.193 10.871 2.549 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.973 11.601 1.501 1.00 0.00 H new ATOM 274 N PHE A 32 -8.245 5.643 4.946 1.00 0.00 N ATOM 275 CA PHE A 32 -9.480 4.900 4.786 1.00 0.00 C ATOM 276 C PHE A 32 -9.817 4.137 6.075 1.00 0.00 C ATOM 277 O PHE A 32 -10.670 3.251 6.062 1.00 0.00 O ATOM 278 CB PHE A 32 -9.328 4.005 3.552 1.00 0.00 C ATOM 279 CG PHE A 32 -9.354 4.764 2.239 1.00 0.00 C ATOM 280 CD1 PHE A 32 -10.573 4.993 1.580 1.00 0.00 C ATOM 281 CD2 PHE A 32 -8.172 5.254 1.663 1.00 0.00 C ATOM 282 CE1 PHE A 32 -10.646 5.782 0.421 1.00 0.00 C ATOM 283 CE2 PHE A 32 -8.258 6.068 0.518 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.479 6.378 -0.078 1.00 0.00 C ATOM 0 H PHE A 32 -7.444 5.040 5.136 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.330 5.561 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.389 3.457 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.129 3.266 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.476 4.551 1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.211 5.010 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.591 5.928 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.350 6.464 0.088 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.526 7.065 -0.910 1.00 0.00 H new ATOM 294 N SER A 33 -9.151 4.467 7.191 1.00 0.00 N ATOM 295 CA SER A 33 -9.367 3.856 8.501 1.00 0.00 C ATOM 296 C SER A 33 -9.121 2.332 8.462 1.00 0.00 C ATOM 297 O SER A 33 -9.771 1.555 9.171 1.00 0.00 O ATOM 298 CB SER A 33 -10.766 4.267 9.004 1.00 0.00 C ATOM 299 OG SER A 33 -10.793 4.456 10.409 1.00 0.00 O ATOM 0 H SER A 33 -8.428 5.187 7.203 1.00 0.00 H new ATOM 0 HA SER A 33 -8.639 4.223 9.224 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.073 5.188 8.509 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.490 3.500 8.728 1.00 0.00 H new ATOM 0 HG SER A 33 -11.696 4.717 10.687 1.00 0.00 H new ATOM 305 N ILE A 34 -8.207 1.871 7.606 1.00 0.00 N ATOM 306 CA ILE A 34 -7.929 0.454 7.403 1.00 0.00 C ATOM 307 C ILE A 34 -6.814 0.067 8.386 1.00 0.00 C ATOM 308 O ILE A 34 -5.870 0.849 8.552 1.00 0.00 O ATOM 309 CB ILE A 34 -7.507 0.199 5.934 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.535 0.757 4.925 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.259 -1.291 5.645 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.092 0.645 3.463 1.00 0.00 C ATOM 0 H ILE A 34 -7.632 2.483 7.027 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.814 -0.155 7.588 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.567 0.735 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.478 0.225 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.726 1.805 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.966 -1.416 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.463 -1.660 6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.172 -1.855 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.866 1.057 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.165 1.201 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.929 -0.403 3.211 1.00 0.00 H new ATOM 324 N PRO A 35 -6.840 -1.138 8.981 1.00 0.00 N ATOM 325 CA PRO A 35 -5.672 -1.708 9.627 1.00 0.00 C ATOM 326 C PRO A 35 -4.609 -1.986 8.569 1.00 0.00 C ATOM 327 O PRO A 35 -4.734 -2.927 7.768 1.00 0.00 O ATOM 328 CB PRO A 35 -6.139 -2.986 10.319 1.00 0.00 C ATOM 329 CG PRO A 35 -7.363 -3.396 9.501 1.00 0.00 C ATOM 330 CD PRO A 35 -7.956 -2.067 9.049 1.00 0.00 C ATOM 0 HA PRO A 35 -5.228 -1.036 10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.368 -3.757 10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.393 -2.809 11.364 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.086 -4.021 8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.072 -3.968 10.100 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.442 -2.166 8.078 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.713 -1.718 9.751 1.00 0.00 H new ATOM 338 N TYR A 36 -3.566 -1.159 8.563 1.00 0.00 N ATOM 339 CA TYR A 36 -2.296 -1.563 7.990 1.00 0.00 C ATOM 340 C TYR A 36 -1.734 -2.660 8.900 1.00 0.00 C ATOM 341 O TYR A 36 -2.057 -2.730 10.090 1.00 0.00 O ATOM 342 CB TYR A 36 -1.368 -0.341 7.875 1.00 0.00 C ATOM 343 CG TYR A 36 -0.098 -0.587 7.088 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.147 -0.684 5.689 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.137 -0.718 7.747 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.030 -0.924 4.964 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.310 -1.004 7.030 1.00 0.00 C ATOM 348 CZ TYR A 36 2.260 -1.119 5.627 1.00 0.00 C ATOM 349 OH TYR A 36 3.379 -1.424 4.916 1.00 0.00 O ATOM 0 H TYR A 36 -3.580 -0.214 8.946 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.400 -1.957 6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.919 0.474 7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.100 -0.009 8.878 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.089 -0.574 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.184 -0.597 8.819 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.994 -0.960 3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.246 -1.135 7.552 1.00 0.00 H new ATOM 0 HH TYR A 36 3.318 -1.025 4.023 1.00 0.00 H new ATOM 359 N ASP A 37 -0.902 -3.528 8.336 1.00 0.00 N ATOM 360 CA ASP A 37 -0.005 -4.396 9.081 1.00 0.00 C ATOM 361 C ASP A 37 1.169 -4.599 8.142 1.00 0.00 C ATOM 362 O ASP A 37 0.980 -5.108 7.034 1.00 0.00 O ATOM 363 CB ASP A 37 -0.618 -5.764 9.444 1.00 0.00 C ATOM 364 CG ASP A 37 -1.233 -5.830 10.841 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.461 -5.722 11.822 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.439 -6.158 10.965 1.00 0.00 O ATOM 0 H ASP A 37 -0.833 -3.649 7.326 1.00 0.00 H new ATOM 0 HA ASP A 37 0.252 -3.943 10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.386 -6.010 8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.156 -6.528 9.365 1.00 0.00 H new ATOM 371 N LYS A 38 2.373 -4.196 8.555 1.00 0.00 N ATOM 372 CA LYS A 38 3.582 -4.334 7.740 1.00 0.00 C ATOM 373 C LYS A 38 3.723 -5.763 7.221 1.00 0.00 C ATOM 374 O LYS A 38 3.981 -5.948 6.034 1.00 0.00 O ATOM 375 CB LYS A 38 4.795 -3.873 8.546 1.00 0.00 C ATOM 376 CG LYS A 38 6.113 -4.018 7.777 1.00 0.00 C ATOM 377 CD LYS A 38 6.203 -3.358 6.394 1.00 0.00 C ATOM 378 CE LYS A 38 6.082 -1.830 6.426 1.00 0.00 C ATOM 379 NZ LYS A 38 7.261 -1.158 7.008 1.00 0.00 N ATOM 0 H LYS A 38 2.537 -3.765 9.465 1.00 0.00 H new ATOM 0 HA LYS A 38 3.510 -3.695 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.660 -2.830 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.853 -4.451 9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.911 -3.610 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.316 -5.082 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.154 -3.628 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.416 -3.762 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.930 -1.464 5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.197 -1.555 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.113 -0.129 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.396 -1.480 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.105 -1.391 6.448 1.00 0.00 H new ATOM 393 N GLU A 39 3.524 -6.762 8.082 1.00 0.00 N ATOM 394 CA GLU A 39 3.587 -8.164 7.689 1.00 0.00 C ATOM 395 C GLU A 39 2.542 -8.503 6.621 1.00 0.00 C ATOM 396 O GLU A 39 2.883 -9.046 5.572 1.00 0.00 O ATOM 397 CB GLU A 39 3.423 -9.080 8.907 1.00 0.00 C ATOM 398 CG GLU A 39 4.592 -8.955 9.894 1.00 0.00 C ATOM 399 CD GLU A 39 4.764 -10.243 10.702 1.00 0.00 C ATOM 400 OE1 GLU A 39 5.118 -11.279 10.094 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.503 -10.253 11.928 1.00 0.00 O ATOM 0 H GLU A 39 3.315 -6.619 9.070 1.00 0.00 H new ATOM 0 HA GLU A 39 4.572 -8.333 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.492 -8.837 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.342 -10.114 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.511 -8.737 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.415 -8.118 10.569 1.00 0.00 H new ATOM 408 N LYS A 40 1.264 -8.196 6.859 1.00 0.00 N ATOM 409 CA LYS A 40 0.214 -8.674 5.961 1.00 0.00 C ATOM 410 C LYS A 40 0.276 -7.956 4.616 1.00 0.00 C ATOM 411 O LYS A 40 -0.133 -8.517 3.603 1.00 0.00 O ATOM 412 CB LYS A 40 -1.174 -8.575 6.617 1.00 0.00 C ATOM 413 CG LYS A 40 -1.215 -9.015 8.093 1.00 0.00 C ATOM 414 CD LYS A 40 -0.636 -10.398 8.420 1.00 0.00 C ATOM 415 CE LYS A 40 -0.124 -10.390 9.864 1.00 0.00 C ATOM 416 NZ LYS A 40 0.583 -11.641 10.218 1.00 0.00 N ATOM 0 H LYS A 40 0.938 -7.633 7.645 1.00 0.00 H new ATOM 0 HA LYS A 40 0.390 -9.732 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.522 -7.544 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.875 -9.187 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.677 -8.273 8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.253 -8.994 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.399 -11.166 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.175 -10.640 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.549 -9.544 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.964 -10.245 10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.910 -11.588 11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.065 -12.448 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.401 -11.768 9.588 1.00 0.00 H new ATOM 430 N VAL A 41 0.786 -6.727 4.573 1.00 0.00 N ATOM 431 CA VAL A 41 1.017 -6.000 3.334 1.00 0.00 C ATOM 432 C VAL A 41 2.263 -6.539 2.630 1.00 0.00 C ATOM 433 O VAL A 41 2.133 -6.912 1.465 1.00 0.00 O ATOM 434 CB VAL A 41 1.062 -4.491 3.642 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.607 -3.668 2.468 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.367 -4.027 3.984 1.00 0.00 C ATOM 0 H VAL A 41 1.052 -6.205 5.408 1.00 0.00 H new ATOM 0 HA VAL A 41 0.200 -6.152 2.629 1.00 0.00 H new ATOM 0 HB VAL A 41 1.740 -4.331 4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.617 -2.612 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.621 -3.993 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.970 -3.813 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.360 -2.960 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.024 -4.217 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.730 -4.576 4.853 1.00 0.00 H new ATOM 446 N ARG A 42 3.444 -6.562 3.279 1.00 0.00 N ATOM 447 CA ARG A 42 4.699 -7.000 2.644 1.00 0.00 C ATOM 448 C ARG A 42 4.495 -8.374 2.012 1.00 0.00 C ATOM 449 O ARG A 42 4.892 -8.593 0.875 1.00 0.00 O ATOM 450 CB ARG A 42 5.898 -6.955 3.633 1.00 0.00 C ATOM 451 CG ARG A 42 5.992 -8.128 4.600 1.00 0.00 C ATOM 452 CD ARG A 42 6.956 -7.908 5.760 1.00 0.00 C ATOM 453 NE ARG A 42 8.371 -7.989 5.378 1.00 0.00 N ATOM 454 CZ ARG A 42 9.355 -8.625 6.029 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.144 -9.405 7.086 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.596 -8.478 5.596 1.00 0.00 N ATOM 0 H ARG A 42 3.553 -6.279 4.253 1.00 0.00 H new ATOM 0 HA ARG A 42 4.960 -6.301 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.821 -6.907 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.835 -6.033 4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.000 -8.333 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.302 -9.015 4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.763 -6.929 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.755 -8.650 6.533 1.00 0.00 H new ATOM 0 HE ARG A 42 8.636 -7.506 4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.196 -9.542 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.930 -9.866 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.787 -7.891 4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.362 -8.952 6.074 1.00 0.00 H new ATOM 470 N GLU A 43 3.838 -9.279 2.729 1.00 0.00 N ATOM 471 CA GLU A 43 3.554 -10.613 2.235 1.00 0.00 C ATOM 472 C GLU A 43 2.607 -10.555 1.036 1.00 0.00 C ATOM 473 O GLU A 43 2.926 -11.109 -0.017 1.00 0.00 O ATOM 474 CB GLU A 43 2.985 -11.439 3.391 1.00 0.00 C ATOM 475 CG GLU A 43 2.737 -12.889 2.964 1.00 0.00 C ATOM 476 CD GLU A 43 2.279 -13.769 4.130 1.00 0.00 C ATOM 477 OE1 GLU A 43 2.891 -13.720 5.214 1.00 0.00 O ATOM 478 OE2 GLU A 43 1.284 -14.522 3.964 1.00 0.00 O ATOM 0 H GLU A 43 3.488 -9.104 3.671 1.00 0.00 H new ATOM 0 HA GLU A 43 4.466 -11.092 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.678 -11.418 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.052 -10.993 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.982 -12.910 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.652 -13.301 2.538 1.00 0.00 H new ATOM 485 N PHE A 44 1.448 -9.900 1.172 1.00 0.00 N ATOM 486 CA PHE A 44 0.436 -9.890 0.122 1.00 0.00 C ATOM 487 C PHE A 44 1.006 -9.355 -1.195 1.00 0.00 C ATOM 488 O PHE A 44 0.862 -10.003 -2.230 1.00 0.00 O ATOM 489 CB PHE A 44 -0.813 -9.112 0.559 1.00 0.00 C ATOM 490 CG PHE A 44 -1.901 -9.123 -0.495 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.761 -8.325 -1.641 1.00 0.00 C ATOM 492 CD2 PHE A 44 -3.010 -9.981 -0.386 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.671 -8.442 -2.697 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.972 -10.023 -1.410 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.806 -9.239 -2.566 1.00 0.00 C ATOM 0 H PHE A 44 1.192 -9.369 2.005 1.00 0.00 H new ATOM 0 HA PHE A 44 0.130 -10.921 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.201 -9.543 1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.536 -8.081 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.947 -7.618 -1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.123 -10.609 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.492 -7.911 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.840 -10.658 -1.309 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.553 -9.255 -3.346 1.00 0.00 H new ATOM 505 N ILE A 45 1.665 -8.189 -1.193 1.00 0.00 N ATOM 506 CA ILE A 45 2.160 -7.603 -2.441 1.00 0.00 C ATOM 507 C ILE A 45 3.128 -8.556 -3.166 1.00 0.00 C ATOM 508 O ILE A 45 3.109 -8.616 -4.394 1.00 0.00 O ATOM 509 CB ILE A 45 2.760 -6.194 -2.219 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.042 -6.224 -1.356 1.00 0.00 C ATOM 511 CG2 ILE A 45 1.678 -5.254 -1.647 1.00 0.00 C ATOM 512 CD1 ILE A 45 4.756 -4.879 -1.257 1.00 0.00 C ATOM 0 H ILE A 45 1.864 -7.642 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 45 1.304 -7.466 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 45 3.079 -5.800 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.784 -6.561 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.731 -6.959 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.103 -4.262 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.847 -5.187 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.319 -5.648 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.645 -4.984 -0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.048 -4.548 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.086 -4.143 -0.812 1.00 0.00 H new ATOM 524 N PHE A 46 3.932 -9.323 -2.426 1.00 0.00 N ATOM 525 CA PHE A 46 4.843 -10.320 -2.968 1.00 0.00 C ATOM 526 C PHE A 46 4.078 -11.534 -3.506 1.00 0.00 C ATOM 527 O PHE A 46 4.402 -12.045 -4.584 1.00 0.00 O ATOM 528 CB PHE A 46 5.816 -10.719 -1.859 1.00 0.00 C ATOM 529 CG PHE A 46 7.147 -9.999 -1.945 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.163 -10.532 -2.747 1.00 0.00 C ATOM 531 CD2 PHE A 46 7.392 -8.813 -1.230 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.442 -9.954 -2.752 1.00 0.00 C ATOM 533 CE2 PHE A 46 8.667 -8.222 -1.239 1.00 0.00 C ATOM 534 CZ PHE A 46 9.701 -8.797 -1.997 1.00 0.00 C ATOM 0 H PHE A 46 3.964 -9.262 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 46 5.395 -9.904 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.359 -10.511 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.988 -11.794 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.961 -11.394 -3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.593 -8.352 -0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.231 -10.400 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.852 -7.327 -0.664 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.686 -8.354 -1.999 1.00 0.00 H new ATOM 544 N LYS A 47 3.074 -12.015 -2.763 1.00 0.00 N ATOM 545 CA LYS A 47 2.224 -13.137 -3.160 1.00 0.00 C ATOM 546 C LYS A 47 1.429 -12.821 -4.428 1.00 0.00 C ATOM 547 O LYS A 47 1.164 -13.738 -5.208 1.00 0.00 O ATOM 548 CB LYS A 47 1.249 -13.482 -2.019 1.00 0.00 C ATOM 549 CG LYS A 47 1.853 -14.357 -0.910 1.00 0.00 C ATOM 550 CD LYS A 47 0.842 -14.670 0.210 1.00 0.00 C ATOM 551 CE LYS A 47 -0.185 -15.749 -0.168 1.00 0.00 C ATOM 552 NZ LYS A 47 0.376 -17.118 -0.144 1.00 0.00 N ATOM 0 H LYS A 47 2.827 -11.626 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 47 2.873 -13.988 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.885 -12.555 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.384 -13.995 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.212 -15.291 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.719 -13.851 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.385 -14.993 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.313 -13.755 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.029 -15.696 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.573 -15.539 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.363 -17.801 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.164 -17.182 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.722 -17.335 0.812 1.00 0.00 H new ATOM 566 N TYR A 48 1.019 -11.564 -4.622 1.00 0.00 N ATOM 567 CA TYR A 48 0.106 -11.197 -5.695 1.00 0.00 C ATOM 568 C TYR A 48 0.627 -9.958 -6.422 1.00 0.00 C ATOM 569 O TYR A 48 1.389 -10.119 -7.373 1.00 0.00 O ATOM 570 CB TYR A 48 -1.307 -11.026 -5.106 1.00 0.00 C ATOM 571 CG TYR A 48 -1.782 -12.206 -4.271 1.00 0.00 C ATOM 572 CD1 TYR A 48 -2.249 -13.376 -4.893 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.711 -12.152 -2.865 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.658 -14.475 -4.118 1.00 0.00 C ATOM 575 CE2 TYR A 48 -2.135 -13.237 -2.081 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.632 -14.396 -2.708 1.00 0.00 C ATOM 577 OH TYR A 48 -3.067 -15.435 -1.949 1.00 0.00 O ATOM 0 H TYR A 48 1.312 -10.780 -4.040 1.00 0.00 H new ATOM 0 HA TYR A 48 0.047 -11.982 -6.449 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.325 -10.128 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.012 -10.866 -5.922 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.294 -13.431 -5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.326 -11.265 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.993 -15.381 -4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.080 -13.183 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.976 -15.208 -1.000 1.00 0.00 H new ATOM 587 N SER A 49 0.309 -8.744 -5.966 1.00 0.00 N ATOM 588 CA SER A 49 0.782 -7.468 -6.497 1.00 0.00 C ATOM 589 C SER A 49 0.065 -6.329 -5.762 1.00 0.00 C ATOM 590 O SER A 49 -0.835 -6.550 -4.947 1.00 0.00 O ATOM 591 CB SER A 49 0.577 -7.358 -8.022 1.00 0.00 C ATOM 592 OG SER A 49 1.796 -7.448 -8.741 1.00 0.00 O ATOM 0 H SER A 49 -0.320 -8.621 -5.173 1.00 0.00 H new ATOM 0 HA SER A 49 1.857 -7.399 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.096 -8.149 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.092 -6.410 -8.253 1.00 0.00 H new ATOM 0 HG SER A 49 2.172 -8.347 -8.637 1.00 0.00 H new ATOM 598 N VAL A 50 0.486 -5.095 -6.033 1.00 0.00 N ATOM 599 CA VAL A 50 -0.043 -3.884 -5.426 1.00 0.00 C ATOM 600 C VAL A 50 -1.427 -3.537 -5.971 1.00 0.00 C ATOM 601 O VAL A 50 -2.284 -3.136 -5.184 1.00 0.00 O ATOM 602 CB VAL A 50 0.975 -2.747 -5.649 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.435 -1.364 -5.267 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.254 -3.014 -4.836 1.00 0.00 C ATOM 0 H VAL A 50 1.231 -4.909 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.180 -4.037 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 50 1.185 -2.737 -6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.202 -0.611 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.445 -1.138 -5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.164 -1.358 -4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.966 -2.205 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.006 -3.069 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.697 -3.958 -5.154 1.00 0.00 H new ATOM 614 N GLN A 51 -1.652 -3.655 -7.284 1.00 0.00 N ATOM 615 CA GLN A 51 -2.956 -3.355 -7.855 1.00 0.00 C ATOM 616 C GLN A 51 -3.996 -4.287 -7.250 1.00 0.00 C ATOM 617 O GLN A 51 -5.053 -3.807 -6.858 1.00 0.00 O ATOM 618 CB GLN A 51 -2.876 -3.385 -9.392 1.00 0.00 C ATOM 619 CG GLN A 51 -4.225 -3.315 -10.124 1.00 0.00 C ATOM 620 CD GLN A 51 -4.785 -4.701 -10.444 1.00 0.00 C ATOM 621 OE1 GLN A 51 -5.692 -5.191 -9.619 1.00 0.00 O flip ATOM 622 NE2 GLN A 51 -4.389 -5.323 -11.433 1.00 0.00 N flip ATOM 0 H GLN A 51 -0.950 -3.954 -7.961 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.276 -2.344 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.259 -2.550 -9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.365 -4.299 -9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.941 -2.769 -9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.105 -2.752 -11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.687 -4.911 -12.047 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.764 -6.249 -11.637 1.00 0.00 H new ATOM 631 N ASP A 52 -3.690 -5.577 -7.126 1.00 0.00 N ATOM 632 CA ASP A 52 -4.584 -6.568 -6.528 1.00 0.00 C ATOM 633 C ASP A 52 -4.850 -6.147 -5.101 1.00 0.00 C ATOM 634 O ASP A 52 -6.010 -6.073 -4.725 1.00 0.00 O ATOM 635 CB ASP A 52 -3.991 -7.992 -6.550 1.00 0.00 C ATOM 636 CG ASP A 52 -4.403 -8.824 -7.766 1.00 0.00 C ATOM 637 OD1 ASP A 52 -3.866 -8.574 -8.864 1.00 0.00 O ATOM 638 OD2 ASP A 52 -5.197 -9.788 -7.597 1.00 0.00 O ATOM 0 H ASP A 52 -2.803 -5.969 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.503 -6.605 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.904 -7.921 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.298 -8.515 -5.645 1.00 0.00 H new ATOM 643 N LEU A 53 -3.810 -5.805 -4.330 1.00 0.00 N ATOM 644 CA LEU A 53 -3.957 -5.412 -2.936 1.00 0.00 C ATOM 645 C LEU A 53 -4.941 -4.255 -2.813 1.00 0.00 C ATOM 646 O LEU A 53 -5.918 -4.368 -2.084 1.00 0.00 O ATOM 647 CB LEU A 53 -2.566 -5.115 -2.340 1.00 0.00 C ATOM 648 CG LEU A 53 -2.495 -4.744 -0.839 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.593 -3.237 -0.706 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.417 -5.578 0.050 1.00 0.00 C ATOM 0 H LEU A 53 -2.846 -5.795 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.384 -6.226 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.938 -5.991 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.124 -4.298 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.525 -5.028 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.544 -2.961 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.767 -2.770 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.538 -2.895 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.310 -5.258 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.451 -5.440 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.149 -6.631 -0.034 1.00 0.00 H new ATOM 662 N LEU A 54 -4.721 -3.146 -3.515 1.00 0.00 N ATOM 663 CA LEU A 54 -5.590 -1.978 -3.379 1.00 0.00 C ATOM 664 C LEU A 54 -6.995 -2.249 -3.932 1.00 0.00 C ATOM 665 O LEU A 54 -7.937 -1.691 -3.373 1.00 0.00 O ATOM 666 CB LEU A 54 -4.929 -0.747 -4.020 1.00 0.00 C ATOM 667 CG LEU A 54 -3.619 -0.315 -3.325 1.00 0.00 C ATOM 668 CD1 LEU A 54 -2.829 0.692 -4.169 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.882 0.289 -1.936 1.00 0.00 C ATOM 0 H LEU A 54 -3.955 -3.031 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.722 -1.765 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.720 -0.962 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.633 0.085 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.025 -1.222 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.915 0.969 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.574 0.242 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.436 1.582 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.935 0.580 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.521 1.166 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.376 -0.450 -1.305 1.00 0.00 H new ATOM 681 N VAL A 55 -7.176 -3.109 -4.947 1.00 0.00 N ATOM 682 CA VAL A 55 -8.512 -3.559 -5.355 1.00 0.00 C ATOM 683 C VAL A 55 -9.165 -4.298 -4.193 1.00 0.00 C ATOM 684 O VAL A 55 -10.243 -3.925 -3.742 1.00 0.00 O ATOM 685 CB VAL A 55 -8.498 -4.412 -6.643 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.872 -5.048 -6.944 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.127 -3.555 -7.859 1.00 0.00 C ATOM 0 H VAL A 55 -6.414 -3.505 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.104 -2.678 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.761 -5.196 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.808 -5.637 -7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.163 -5.695 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.617 -4.262 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.123 -4.176 -8.755 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.857 -2.754 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.136 -3.124 -7.712 1.00 0.00 H new ATOM 697 N ARG A 56 -8.526 -5.361 -3.714 1.00 0.00 N ATOM 698 CA ARG A 56 -8.971 -6.278 -2.722 1.00 0.00 C ATOM 699 C ARG A 56 -9.355 -5.548 -1.448 1.00 0.00 C ATOM 700 O ARG A 56 -10.440 -5.792 -0.926 1.00 0.00 O ATOM 701 CB ARG A 56 -7.785 -7.224 -2.589 1.00 0.00 C ATOM 702 CG ARG A 56 -7.939 -8.064 -1.361 1.00 0.00 C ATOM 703 CD ARG A 56 -7.542 -9.487 -1.659 1.00 0.00 C ATOM 704 NE ARG A 56 -7.580 -10.277 -0.428 1.00 0.00 N ATOM 705 CZ ARG A 56 -7.999 -11.531 -0.291 1.00 0.00 C ATOM 706 NH1 ARG A 56 -8.342 -12.263 -1.344 1.00 0.00 N ATOM 707 NH2 ARG A 56 -8.039 -12.033 0.931 1.00 0.00 N ATOM 0 H ARG A 56 -7.597 -5.607 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.880 -6.825 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.717 -7.862 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.858 -6.653 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.320 -7.665 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.972 -8.031 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.218 -9.916 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.541 -9.513 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.248 -9.814 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.287 -11.865 -2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.661 -13.223 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.754 -11.462 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.355 -12.992 1.078 1.00 0.00 H new ATOM 721 N VAL A 57 -8.480 -4.700 -0.910 1.00 0.00 N ATOM 722 CA VAL A 57 -8.782 -4.026 0.338 1.00 0.00 C ATOM 723 C VAL A 57 -9.986 -3.115 0.124 1.00 0.00 C ATOM 724 O VAL A 57 -10.848 -3.081 0.994 1.00 0.00 O ATOM 725 CB VAL A 57 -7.576 -3.243 0.887 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.826 -2.856 2.338 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.258 -4.022 0.888 1.00 0.00 C ATOM 0 H VAL A 57 -7.573 -4.470 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.019 -4.777 1.092 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.479 -2.388 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.968 -2.302 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.718 -2.232 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.971 -3.756 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.464 -3.393 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.363 -4.914 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.007 -4.314 -0.132 1.00 0.00 H new ATOM 737 N ALA A 58 -10.057 -2.394 -1.001 1.00 0.00 N ATOM 738 CA ALA A 58 -11.186 -1.519 -1.275 1.00 0.00 C ATOM 739 C ALA A 58 -12.480 -2.310 -1.341 1.00 0.00 C ATOM 740 O ALA A 58 -13.441 -1.926 -0.686 1.00 0.00 O ATOM 741 CB ALA A 58 -10.983 -0.747 -2.585 1.00 0.00 C ATOM 0 H ALA A 58 -9.344 -2.404 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.251 -0.803 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.843 -0.101 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.081 -0.139 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.881 -1.452 -3.410 1.00 0.00 H new ATOM 747 N GLU A 59 -12.504 -3.384 -2.119 1.00 0.00 N ATOM 748 CA GLU A 59 -13.661 -4.235 -2.310 1.00 0.00 C ATOM 749 C GLU A 59 -14.157 -4.750 -0.951 1.00 0.00 C ATOM 750 O GLU A 59 -15.336 -4.613 -0.616 1.00 0.00 O ATOM 751 CB GLU A 59 -13.231 -5.367 -3.245 1.00 0.00 C ATOM 752 CG GLU A 59 -14.403 -6.183 -3.791 1.00 0.00 C ATOM 753 CD GLU A 59 -13.920 -7.584 -4.141 1.00 0.00 C ATOM 754 OE1 GLU A 59 -13.223 -7.715 -5.166 1.00 0.00 O ATOM 755 OE2 GLU A 59 -14.175 -8.540 -3.359 1.00 0.00 O ATOM 0 H GLU A 59 -11.690 -3.693 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.496 -3.696 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.671 -4.946 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.553 -6.032 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.201 -6.235 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.819 -5.698 -4.674 1.00 0.00 H new ATOM 762 N ASP A 60 -13.236 -5.295 -0.152 1.00 0.00 N ATOM 763 CA ASP A 60 -13.496 -5.872 1.163 1.00 0.00 C ATOM 764 C ASP A 60 -14.027 -4.820 2.142 1.00 0.00 C ATOM 765 O ASP A 60 -14.930 -5.102 2.930 1.00 0.00 O ATOM 766 CB ASP A 60 -12.195 -6.488 1.681 1.00 0.00 C ATOM 767 CG ASP A 60 -12.402 -7.429 2.864 1.00 0.00 C ATOM 768 OD1 ASP A 60 -12.311 -6.983 4.026 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.535 -8.662 2.648 1.00 0.00 O ATOM 0 H ASP A 60 -12.252 -5.347 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.266 -6.639 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.712 -7.035 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.515 -5.689 1.976 1.00 0.00 H new ATOM 774 N ARG A 61 -13.468 -3.604 2.085 1.00 0.00 N ATOM 775 CA ARG A 61 -13.810 -2.454 2.924 1.00 0.00 C ATOM 776 C ARG A 61 -14.909 -1.550 2.342 1.00 0.00 C ATOM 777 O ARG A 61 -15.229 -0.546 2.979 1.00 0.00 O ATOM 778 CB ARG A 61 -12.542 -1.624 3.172 1.00 0.00 C ATOM 779 CG ARG A 61 -11.430 -2.296 3.991 1.00 0.00 C ATOM 780 CD ARG A 61 -11.571 -2.033 5.491 1.00 0.00 C ATOM 781 NE ARG A 61 -12.576 -2.887 6.138 1.00 0.00 N ATOM 782 CZ ARG A 61 -12.394 -4.093 6.693 1.00 0.00 C ATOM 783 NH1 ARG A 61 -11.202 -4.680 6.726 1.00 0.00 N ATOM 784 NH2 ARG A 61 -13.429 -4.716 7.234 1.00 0.00 N ATOM 0 H ARG A 61 -12.728 -3.388 1.418 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.215 -2.857 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.128 -1.338 2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.831 -0.704 3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.448 -3.371 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.461 -1.932 3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.606 -2.190 5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.838 -0.988 5.646 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.526 -2.518 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.391 -4.212 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.098 -5.599 7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.350 -4.278 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.306 -5.634 7.660 1.00 0.00 H new ATOM 798 N ASN A 62 -15.506 -1.846 1.182 1.00 0.00 N ATOM 799 CA ASN A 62 -16.555 -1.026 0.545 1.00 0.00 C ATOM 800 C ASN A 62 -16.047 0.352 0.064 1.00 0.00 C ATOM 801 O ASN A 62 -16.816 1.311 -0.032 1.00 0.00 O ATOM 802 CB ASN A 62 -17.762 -0.899 1.498 1.00 0.00 C ATOM 803 CG ASN A 62 -19.103 -0.822 0.785 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.891 -1.765 0.850 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.424 0.283 0.138 1.00 0.00 N ATOM 0 H ASN A 62 -15.271 -2.680 0.644 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.871 -1.541 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.770 -1.753 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.636 -0.007 2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.334 0.362 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.762 1.057 0.092 1.00 0.00 H new ATOM 812 N LEU A 63 -14.754 0.490 -0.213 1.00 0.00 N ATOM 813 CA LEU A 63 -14.048 1.713 -0.639 1.00 0.00 C ATOM 814 C LEU A 63 -13.923 1.741 -2.161 1.00 0.00 C ATOM 815 O LEU A 63 -14.600 0.959 -2.831 1.00 0.00 O ATOM 816 CB LEU A 63 -12.673 1.796 0.032 1.00 0.00 C ATOM 817 CG LEU A 63 -12.688 1.491 1.533 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.230 1.422 1.982 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.519 2.498 2.332 1.00 0.00 C ATOM 0 H LEU A 63 -14.117 -0.304 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.624 2.584 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.997 1.098 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.266 2.796 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.183 0.539 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.188 1.206 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.717 0.633 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.743 2.377 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.494 2.233 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.106 3.498 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.550 2.481 1.978 1.00 0.00 H new ATOM 831 N ASP A 64 -13.091 2.622 -2.733 1.00 0.00 N ATOM 832 CA ASP A 64 -12.981 2.697 -4.186 1.00 0.00 C ATOM 833 C ASP A 64 -11.517 2.860 -4.520 1.00 0.00 C ATOM 834 O ASP A 64 -10.903 3.888 -4.221 1.00 0.00 O ATOM 835 CB ASP A 64 -13.775 3.863 -4.762 1.00 0.00 C ATOM 836 CG ASP A 64 -14.519 3.473 -6.031 1.00 0.00 C ATOM 837 OD1 ASP A 64 -13.855 3.329 -7.085 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.757 3.328 -5.988 1.00 0.00 O ATOM 0 H ASP A 64 -12.499 3.276 -2.221 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.393 1.788 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.488 4.219 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.099 4.691 -4.977 1.00 0.00 H new ATOM 843 N VAL A 65 -10.936 1.818 -5.094 1.00 0.00 N ATOM 844 CA VAL A 65 -9.513 1.714 -5.398 1.00 0.00 C ATOM 845 C VAL A 65 -9.017 2.872 -6.289 1.00 0.00 C ATOM 846 O VAL A 65 -7.821 3.177 -6.332 1.00 0.00 O ATOM 847 CB VAL A 65 -9.276 0.324 -6.024 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.181 0.109 -7.238 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.828 0.080 -6.438 1.00 0.00 C ATOM 0 H VAL A 65 -11.461 0.989 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.924 1.807 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.519 -0.391 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.994 -0.878 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.224 0.181 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.970 0.871 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.736 -0.917 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.530 0.824 -7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.182 0.158 -5.564 1.00 0.00 H new ATOM 859 N GLU A 66 -9.937 3.536 -6.984 1.00 0.00 N ATOM 860 CA GLU A 66 -9.712 4.732 -7.779 1.00 0.00 C ATOM 861 C GLU A 66 -9.289 5.901 -6.893 1.00 0.00 C ATOM 862 O GLU A 66 -8.409 6.682 -7.266 1.00 0.00 O ATOM 863 CB GLU A 66 -11.017 5.072 -8.514 1.00 0.00 C ATOM 864 CG GLU A 66 -11.528 3.940 -9.419 1.00 0.00 C ATOM 865 CD GLU A 66 -10.649 3.710 -10.651 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.491 3.248 -10.464 1.00 0.00 O ATOM 867 OE2 GLU A 66 -11.076 4.073 -11.762 1.00 0.00 O ATOM 0 H GLU A 66 -10.911 3.235 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.910 4.551 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.785 5.313 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.861 5.966 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.581 3.017 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.543 4.172 -9.743 1.00 0.00 H new ATOM 874 N VAL A 67 -9.902 6.042 -5.714 1.00 0.00 N ATOM 875 CA VAL A 67 -9.471 7.045 -4.750 1.00 0.00 C ATOM 876 C VAL A 67 -8.142 6.585 -4.158 1.00 0.00 C ATOM 877 O VAL A 67 -7.211 7.377 -4.106 1.00 0.00 O ATOM 878 CB VAL A 67 -10.552 7.299 -3.685 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.308 8.614 -2.938 1.00 0.00 C ATOM 880 CG2 VAL A 67 -11.943 7.362 -4.313 1.00 0.00 C ATOM 0 H VAL A 67 -10.694 5.475 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.322 8.008 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.497 6.465 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.091 8.760 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.338 8.576 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.321 9.443 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.685 7.542 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.977 8.172 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.161 6.417 -4.810 1.00 0.00 H new ATOM 890 N LEU A 68 -8.003 5.310 -3.771 1.00 0.00 N ATOM 891 CA LEU A 68 -6.798 4.764 -3.161 1.00 0.00 C ATOM 892 C LEU A 68 -5.568 4.988 -4.038 1.00 0.00 C ATOM 893 O LEU A 68 -4.492 5.272 -3.513 1.00 0.00 O ATOM 894 CB LEU A 68 -6.993 3.254 -2.948 1.00 0.00 C ATOM 895 CG LEU A 68 -7.936 2.883 -1.795 1.00 0.00 C ATOM 896 CD1 LEU A 68 -9.286 3.532 -1.617 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.969 1.377 -1.554 1.00 0.00 C ATOM 0 H LEU A 68 -8.746 4.619 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.633 5.275 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.380 2.818 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.020 2.799 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.425 3.415 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.777 3.115 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.159 4.607 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.899 3.344 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.648 1.155 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.315 0.872 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.968 1.027 -1.304 1.00 0.00 H new ATOM 909 N ASN A 69 -5.734 4.877 -5.360 1.00 0.00 N ATOM 910 CA ASN A 69 -4.659 5.044 -6.334 1.00 0.00 C ATOM 911 C ASN A 69 -4.033 6.410 -6.136 1.00 0.00 C ATOM 912 O ASN A 69 -2.813 6.539 -6.065 1.00 0.00 O ATOM 913 CB ASN A 69 -5.180 4.958 -7.782 1.00 0.00 C ATOM 914 CG ASN A 69 -4.881 3.604 -8.379 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.739 3.339 -8.750 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.883 2.743 -8.474 1.00 0.00 N ATOM 0 H ASN A 69 -6.636 4.665 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.935 4.244 -6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.255 5.138 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.717 5.738 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.723 1.816 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.814 3.007 -8.153 1.00 0.00 H new ATOM 923 N GLN A 70 -4.903 7.411 -6.059 1.00 0.00 N ATOM 924 CA GLN A 70 -4.571 8.793 -5.870 1.00 0.00 C ATOM 925 C GLN A 70 -4.172 9.049 -4.420 1.00 0.00 C ATOM 926 O GLN A 70 -3.244 9.839 -4.238 1.00 0.00 O ATOM 927 CB GLN A 70 -5.753 9.678 -6.298 1.00 0.00 C ATOM 928 CG GLN A 70 -5.697 10.166 -7.760 1.00 0.00 C ATOM 929 CD GLN A 70 -5.475 9.085 -8.825 1.00 0.00 C ATOM 930 OE1 GLN A 70 -4.516 9.159 -9.590 1.00 0.00 O ATOM 931 NE2 GLN A 70 -6.350 8.093 -8.917 1.00 0.00 N ATOM 0 H GLN A 70 -5.909 7.258 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.716 9.048 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.678 9.121 -6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.796 10.547 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.630 10.683 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.897 10.901 -7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.140 8.048 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.233 7.375 -9.632 1.00 0.00 H new ATOM 940 N VAL A 71 -4.794 8.432 -3.394 1.00 0.00 N ATOM 941 CA VAL A 71 -4.469 8.780 -2.030 1.00 0.00 C ATOM 942 C VAL A 71 -3.049 8.302 -1.715 1.00 0.00 C ATOM 943 O VAL A 71 -2.312 9.027 -1.052 1.00 0.00 O ATOM 944 CB VAL A 71 -5.536 8.292 -1.028 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.967 8.621 0.358 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.817 9.129 -1.020 1.00 0.00 C ATOM 0 H VAL A 71 -5.506 7.709 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.483 9.864 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.753 7.253 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.672 8.302 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.020 8.099 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.804 9.696 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.515 8.720 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.577 10.159 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.273 9.105 -2.010 1.00 0.00 H new ATOM 956 N ARG A 72 -2.615 7.154 -2.244 1.00 0.00 N ATOM 957 CA ARG A 72 -1.267 6.636 -2.021 1.00 0.00 C ATOM 958 C ARG A 72 -0.175 7.668 -2.332 1.00 0.00 C ATOM 959 O ARG A 72 0.873 7.661 -1.683 1.00 0.00 O ATOM 960 CB ARG A 72 -1.123 5.330 -2.826 1.00 0.00 C ATOM 961 CG ARG A 72 0.278 4.723 -2.701 1.00 0.00 C ATOM 962 CD ARG A 72 0.408 3.354 -3.397 1.00 0.00 C ATOM 963 NE ARG A 72 1.656 3.249 -4.178 1.00 0.00 N ATOM 964 CZ ARG A 72 2.894 3.551 -3.769 1.00 0.00 C ATOM 965 NH1 ARG A 72 3.167 3.716 -2.477 1.00 0.00 N ATOM 966 NH2 ARG A 72 3.850 3.698 -4.675 1.00 0.00 N ATOM 0 H ARG A 72 -3.191 6.559 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.125 6.419 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.862 4.608 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.339 5.527 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.006 5.412 -3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.527 4.612 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.381 2.562 -2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.446 3.199 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 72 1.565 2.909 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.427 3.612 -1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.116 3.946 -2.182 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.636 3.581 -5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.799 3.928 -4.382 1.00 0.00 H new ATOM 980 N ALA A 73 -0.412 8.543 -3.310 1.00 0.00 N ATOM 981 CA ALA A 73 0.514 9.589 -3.722 1.00 0.00 C ATOM 982 C ALA A 73 0.542 10.779 -2.747 1.00 0.00 C ATOM 983 O ALA A 73 1.499 11.555 -2.733 1.00 0.00 O ATOM 984 CB ALA A 73 0.070 10.066 -5.105 1.00 0.00 C ATOM 0 H ALA A 73 -1.278 8.540 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 73 1.524 9.180 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.740 10.853 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.099 9.231 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.947 10.455 -5.047 1.00 0.00 H new ATOM 990 N GLN A 74 -0.508 10.968 -1.942 1.00 0.00 N ATOM 991 CA GLN A 74 -0.621 12.008 -0.927 1.00 0.00 C ATOM 992 C GLN A 74 0.195 11.552 0.287 1.00 0.00 C ATOM 993 O GLN A 74 -0.348 11.157 1.320 1.00 0.00 O ATOM 994 CB GLN A 74 -2.098 12.267 -0.558 1.00 0.00 C ATOM 995 CG GLN A 74 -3.082 12.267 -1.733 1.00 0.00 C ATOM 996 CD GLN A 74 -2.930 13.394 -2.747 1.00 0.00 C ATOM 997 OE1 GLN A 74 -2.285 14.422 -2.527 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.588 13.227 -3.876 1.00 0.00 N ATOM 0 H GLN A 74 -1.335 10.373 -1.986 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.232 12.954 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.414 11.508 0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.164 13.230 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.984 11.318 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.094 12.305 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.115 12.369 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.570 13.956 -4.589 1.00 0.00 H new