USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=7 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 75:sc= 0.67 USER MOD Single : A 31 GLN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 33 SER OG : rot -37:sc= 0.832 USER MOD Single : A 36 TYR OH : rot 47:sc= 0.337 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00528) 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 51 GLN : amide:sc= -1.61! K(o=-1.6!,f=-0.11) USER MOD Single : A 62 ASN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 69 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.42) USER MOD Single : A 70 GLN : amide:sc= -0.625 K(o=-0.63,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.454 K(o=-0.45,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 7.673 1.860 -1.074 1.00 0.00 N ATOM 109 CA ILE A 21 6.275 1.560 -1.373 1.00 0.00 C ATOM 110 C ILE A 21 5.516 1.525 -0.045 1.00 0.00 C ATOM 111 O ILE A 21 4.599 2.316 0.173 1.00 0.00 O ATOM 112 CB ILE A 21 6.183 0.235 -2.167 1.00 0.00 C ATOM 113 CG1 ILE A 21 6.683 0.437 -3.616 1.00 0.00 C ATOM 114 CG2 ILE A 21 4.750 -0.327 -2.216 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.031 -0.863 -4.351 1.00 0.00 C ATOM 0 HA ILE A 21 5.821 2.322 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 21 6.814 -0.482 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.916 0.966 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.565 1.077 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.743 -1.257 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.400 -0.520 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.091 0.397 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.373 -0.630 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.821 -1.386 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.147 -1.498 -4.405 1.00 0.00 H new ATOM 127 N LEU A 22 5.888 0.602 0.848 1.00 0.00 N ATOM 128 CA LEU A 22 5.234 0.340 2.116 1.00 0.00 C ATOM 129 C LEU A 22 5.051 1.564 2.991 1.00 0.00 C ATOM 130 O LEU A 22 4.051 1.621 3.709 1.00 0.00 O ATOM 131 CB LEU A 22 6.050 -0.729 2.850 1.00 0.00 C ATOM 132 CG LEU A 22 5.406 -2.099 2.651 1.00 0.00 C ATOM 133 CD1 LEU A 22 5.202 -2.553 1.202 1.00 0.00 C ATOM 134 CD2 LEU A 22 6.182 -3.170 3.401 1.00 0.00 C ATOM 0 H LEU A 22 6.692 -0.006 0.691 1.00 0.00 H new ATOM 0 HA LEU A 22 4.221 -0.001 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.073 -0.740 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.103 -0.493 3.913 1.00 0.00 H new ATOM 0 HG LEU A 22 4.402 -1.969 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.738 -3.539 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.557 -1.842 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.167 -2.601 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.707 -4.139 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.206 -3.205 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.190 -2.935 4.465 1.00 0.00 H new ATOM 146 N SER A 23 5.976 2.516 2.913 1.00 0.00 N ATOM 147 CA SER A 23 5.851 3.811 3.562 1.00 0.00 C ATOM 148 C SER A 23 4.531 4.476 3.149 1.00 0.00 C ATOM 149 O SER A 23 3.714 4.818 4.005 1.00 0.00 O ATOM 150 CB SER A 23 7.044 4.699 3.174 1.00 0.00 C ATOM 151 OG SER A 23 8.264 4.309 3.775 1.00 0.00 O ATOM 0 H SER A 23 6.844 2.405 2.389 1.00 0.00 H new ATOM 0 HA SER A 23 5.849 3.676 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.161 4.681 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.825 5.729 3.454 1.00 0.00 H new ATOM 0 HG SER A 23 8.979 4.913 3.485 1.00 0.00 H new ATOM 157 N GLY A 24 4.315 4.645 1.840 1.00 0.00 N ATOM 158 CA GLY A 24 3.109 5.253 1.303 1.00 0.00 C ATOM 159 C GLY A 24 1.874 4.478 1.711 1.00 0.00 C ATOM 160 O GLY A 24 0.874 5.080 2.076 1.00 0.00 O ATOM 0 H GLY A 24 4.982 4.359 1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.029 6.281 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.173 5.294 0.216 1.00 0.00 H new ATOM 164 N ILE A 25 1.915 3.148 1.613 1.00 0.00 N ATOM 165 CA ILE A 25 0.768 2.293 1.912 1.00 0.00 C ATOM 166 C ILE A 25 0.305 2.509 3.353 1.00 0.00 C ATOM 167 O ILE A 25 -0.896 2.651 3.580 1.00 0.00 O ATOM 168 CB ILE A 25 1.092 0.822 1.595 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.520 0.672 0.118 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.139 -0.066 1.860 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.600 -0.775 -0.359 1.00 0.00 C ATOM 0 H ILE A 25 2.747 2.634 1.323 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.068 2.570 1.270 1.00 0.00 H new ATOM 0 HB ILE A 25 1.911 0.506 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.814 1.213 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.493 1.143 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.105 -1.104 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.428 0.016 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.966 0.260 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.907 -0.797 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.328 -1.317 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.622 -1.246 -0.258 1.00 0.00 H new ATOM 183 N GLU A 26 1.236 2.569 4.304 1.00 0.00 N ATOM 184 CA GLU A 26 0.933 2.781 5.717 1.00 0.00 C ATOM 185 C GLU A 26 0.172 4.091 5.937 1.00 0.00 C ATOM 186 O GLU A 26 -0.839 4.115 6.643 1.00 0.00 O ATOM 187 CB GLU A 26 2.241 2.701 6.515 1.00 0.00 C ATOM 188 CG GLU A 26 2.007 2.624 8.026 1.00 0.00 C ATOM 189 CD GLU A 26 3.333 2.433 8.762 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.040 3.447 8.949 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.665 1.284 9.159 1.00 0.00 O ATOM 0 H GLU A 26 2.233 2.471 4.112 1.00 0.00 H new ATOM 0 HA GLU A 26 0.265 1.999 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.805 1.825 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.853 3.574 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.520 3.536 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.335 1.797 8.255 1.00 0.00 H new ATOM 198 N GLU A 27 0.636 5.161 5.292 1.00 0.00 N ATOM 199 CA GLU A 27 0.061 6.494 5.407 1.00 0.00 C ATOM 200 C GLU A 27 -1.274 6.587 4.641 1.00 0.00 C ATOM 201 O GLU A 27 -2.203 7.269 5.085 1.00 0.00 O ATOM 202 CB GLU A 27 1.105 7.505 4.900 1.00 0.00 C ATOM 203 CG GLU A 27 1.121 8.812 5.704 1.00 0.00 C ATOM 204 CD GLU A 27 2.202 9.773 5.204 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.180 10.107 3.993 1.00 0.00 O ATOM 206 OE2 GLU A 27 3.090 10.140 6.014 1.00 0.00 O ATOM 0 H GLU A 27 1.438 5.121 4.663 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.177 6.722 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.094 7.048 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.903 7.732 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.146 9.294 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.292 8.589 6.757 1.00 0.00 H new ATOM 213 N THR A 28 -1.405 5.878 3.513 1.00 0.00 N ATOM 214 CA THR A 28 -2.637 5.779 2.740 1.00 0.00 C ATOM 215 C THR A 28 -3.710 5.041 3.544 1.00 0.00 C ATOM 216 O THR A 28 -4.796 5.587 3.725 1.00 0.00 O ATOM 217 CB THR A 28 -2.384 5.087 1.387 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.475 5.824 0.587 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.670 4.941 0.561 1.00 0.00 C ATOM 0 H THR A 28 -0.635 5.346 3.107 1.00 0.00 H new ATOM 0 HA THR A 28 -2.997 6.787 2.533 1.00 0.00 H new ATOM 0 HB THR A 28 -1.980 4.107 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.566 5.709 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.442 4.448 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.393 4.344 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.089 5.927 0.363 1.00 0.00 H new ATOM 227 N PHE A 29 -3.445 3.819 4.023 1.00 0.00 N ATOM 228 CA PHE A 29 -4.429 2.993 4.721 1.00 0.00 C ATOM 229 C PHE A 29 -5.062 3.803 5.869 1.00 0.00 C ATOM 230 O PHE A 29 -6.285 3.802 6.031 1.00 0.00 O ATOM 231 CB PHE A 29 -3.768 1.680 5.214 1.00 0.00 C ATOM 232 CG PHE A 29 -3.710 0.483 4.255 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.499 0.613 2.868 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.810 -0.822 4.772 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.366 -0.529 2.045 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.640 -1.955 3.948 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.393 -1.834 2.572 1.00 0.00 C ATOM 0 H PHE A 29 -2.531 3.375 3.934 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.231 2.709 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.746 1.915 5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.297 1.360 6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.438 1.597 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.021 -0.959 5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.240 -0.396 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.702 -2.940 4.387 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.231 -2.700 1.948 1.00 0.00 H new ATOM 247 N ALA A 30 -4.262 4.572 6.615 1.00 0.00 N ATOM 248 CA ALA A 30 -4.746 5.405 7.710 1.00 0.00 C ATOM 249 C ALA A 30 -5.738 6.506 7.285 1.00 0.00 C ATOM 250 O ALA A 30 -6.640 6.829 8.063 1.00 0.00 O ATOM 251 CB ALA A 30 -3.545 6.007 8.438 1.00 0.00 C ATOM 0 H ALA A 30 -3.254 4.631 6.471 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.318 4.757 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.894 6.633 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.919 5.206 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.964 6.612 7.742 1.00 0.00 H new ATOM 257 N GLN A 31 -5.642 7.063 6.070 1.00 0.00 N ATOM 258 CA GLN A 31 -6.575 8.077 5.545 1.00 0.00 C ATOM 259 C GLN A 31 -7.979 7.523 5.294 1.00 0.00 C ATOM 260 O GLN A 31 -8.899 8.273 4.965 1.00 0.00 O ATOM 261 CB GLN A 31 -6.021 8.661 4.232 1.00 0.00 C ATOM 262 CG GLN A 31 -5.624 10.132 4.436 1.00 0.00 C ATOM 263 CD GLN A 31 -4.979 10.810 3.231 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.637 11.526 2.480 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.675 10.666 3.048 1.00 0.00 N ATOM 0 H GLN A 31 -4.902 6.819 5.411 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.661 8.851 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.156 8.084 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.771 8.584 3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.514 10.695 4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.933 10.191 5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.135 10.070 3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.211 11.151 2.280 1.00 0.00 H new ATOM 274 N PHE A 32 -8.130 6.209 5.414 1.00 0.00 N ATOM 275 CA PHE A 32 -9.370 5.483 5.233 1.00 0.00 C ATOM 276 C PHE A 32 -9.649 4.609 6.468 1.00 0.00 C ATOM 277 O PHE A 32 -10.499 3.721 6.415 1.00 0.00 O ATOM 278 CB PHE A 32 -9.246 4.706 3.918 1.00 0.00 C ATOM 279 CG PHE A 32 -9.107 5.576 2.684 1.00 0.00 C ATOM 280 CD1 PHE A 32 -10.259 6.052 2.032 1.00 0.00 C ATOM 281 CD2 PHE A 32 -7.832 5.902 2.174 1.00 0.00 C ATOM 282 CE1 PHE A 32 -10.137 6.838 0.875 1.00 0.00 C ATOM 283 CE2 PHE A 32 -7.714 6.681 1.014 1.00 0.00 C ATOM 284 CZ PHE A 32 -8.866 7.161 0.369 1.00 0.00 C ATOM 0 H PHE A 32 -7.350 5.596 5.652 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.236 6.140 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.381 4.046 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.124 4.071 3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.238 5.813 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.944 5.550 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.023 7.196 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.737 6.912 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.775 7.777 -0.514 1.00 0.00 H new ATOM 294 N SER A 33 -8.927 4.841 7.577 1.00 0.00 N ATOM 295 CA SER A 33 -9.079 4.129 8.851 1.00 0.00 C ATOM 296 C SER A 33 -8.870 2.606 8.690 1.00 0.00 C ATOM 297 O SER A 33 -9.473 1.797 9.412 1.00 0.00 O ATOM 298 CB SER A 33 -10.425 4.528 9.490 1.00 0.00 C ATOM 299 OG SER A 33 -10.635 3.855 10.719 1.00 0.00 O ATOM 0 H SER A 33 -8.198 5.554 7.609 1.00 0.00 H new ATOM 0 HA SER A 33 -8.292 4.429 9.544 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.445 5.605 9.655 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.239 4.296 8.803 1.00 0.00 H new ATOM 0 HG SER A 33 -10.287 2.941 10.655 1.00 0.00 H new ATOM 305 N ILE A 34 -8.047 2.209 7.718 1.00 0.00 N ATOM 306 CA ILE A 34 -7.824 0.818 7.364 1.00 0.00 C ATOM 307 C ILE A 34 -6.699 0.318 8.270 1.00 0.00 C ATOM 308 O ILE A 34 -5.662 0.989 8.368 1.00 0.00 O ATOM 309 CB ILE A 34 -7.471 0.675 5.863 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.544 1.380 5.016 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.333 -0.799 5.432 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.291 1.350 3.514 1.00 0.00 C ATOM 0 H ILE A 34 -7.510 2.862 7.148 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.724 0.221 7.511 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.501 1.145 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.509 0.916 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.617 2.419 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.085 -0.846 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.542 -1.275 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.275 -1.319 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.098 1.871 2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.344 1.842 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.250 0.316 3.173 1.00 0.00 H new ATOM 324 N PRO A 35 -6.840 -0.865 8.888 1.00 0.00 N ATOM 325 CA PRO A 35 -5.748 -1.503 9.595 1.00 0.00 C ATOM 326 C PRO A 35 -4.657 -1.808 8.580 1.00 0.00 C ATOM 327 O PRO A 35 -4.816 -2.678 7.720 1.00 0.00 O ATOM 328 CB PRO A 35 -6.324 -2.771 10.226 1.00 0.00 C ATOM 329 CG PRO A 35 -7.510 -3.102 9.323 1.00 0.00 C ATOM 330 CD PRO A 35 -7.997 -1.742 8.842 1.00 0.00 C ATOM 0 HA PRO A 35 -5.313 -0.882 10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.593 -3.580 10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.637 -2.602 11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.212 -3.737 8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.289 -3.636 9.867 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.398 -1.806 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.797 -1.366 9.479 1.00 0.00 H new ATOM 338 N TYR A 36 -3.562 -1.064 8.650 1.00 0.00 N ATOM 339 CA TYR A 36 -2.310 -1.517 8.085 1.00 0.00 C ATOM 340 C TYR A 36 -1.786 -2.626 8.995 1.00 0.00 C ATOM 341 O TYR A 36 -2.148 -2.693 10.174 1.00 0.00 O ATOM 342 CB TYR A 36 -1.360 -0.325 7.989 1.00 0.00 C ATOM 343 CG TYR A 36 -0.069 -0.599 7.252 1.00 0.00 C ATOM 344 CD1 TYR A 36 0.010 -0.451 5.856 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.089 -0.913 7.979 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.260 -0.541 5.217 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.330 -1.020 7.341 1.00 0.00 C ATOM 348 CZ TYR A 36 2.432 -0.798 5.956 1.00 0.00 C ATOM 349 OH TYR A 36 3.649 -0.728 5.350 1.00 0.00 O ATOM 0 H TYR A 36 -3.521 -0.146 9.093 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.419 -1.918 7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.878 0.495 7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.121 0.013 8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.884 -0.269 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.022 -1.074 9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.322 -0.412 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.210 -1.273 7.913 1.00 0.00 H new ATOM 0 HH TYR A 36 3.702 0.092 4.816 1.00 0.00 H new ATOM 359 N ASP A 37 -0.949 -3.499 8.450 1.00 0.00 N ATOM 360 CA ASP A 37 -0.214 -4.496 9.206 1.00 0.00 C ATOM 361 C ASP A 37 1.033 -4.791 8.385 1.00 0.00 C ATOM 362 O ASP A 37 0.934 -5.349 7.291 1.00 0.00 O ATOM 363 CB ASP A 37 -1.017 -5.788 9.409 1.00 0.00 C ATOM 364 CG ASP A 37 -1.822 -5.870 10.701 1.00 0.00 C ATOM 365 OD1 ASP A 37 -1.180 -5.907 11.783 1.00 0.00 O ATOM 366 OD2 ASP A 37 -3.046 -6.100 10.647 1.00 0.00 O ATOM 0 H ASP A 37 -0.760 -3.532 7.448 1.00 0.00 H new ATOM 0 HA ASP A 37 0.012 -4.121 10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.701 -5.905 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.327 -6.631 9.378 1.00 0.00 H new ATOM 371 N LYS A 38 2.207 -4.392 8.878 1.00 0.00 N ATOM 372 CA LYS A 38 3.462 -4.400 8.117 1.00 0.00 C ATOM 373 C LYS A 38 3.737 -5.768 7.469 1.00 0.00 C ATOM 374 O LYS A 38 4.185 -5.824 6.323 1.00 0.00 O ATOM 375 CB LYS A 38 4.596 -3.959 9.060 1.00 0.00 C ATOM 376 CG LYS A 38 5.969 -3.798 8.385 1.00 0.00 C ATOM 377 CD LYS A 38 6.081 -2.715 7.291 1.00 0.00 C ATOM 378 CE LYS A 38 5.816 -1.274 7.764 1.00 0.00 C ATOM 379 NZ LYS A 38 7.011 -0.557 8.261 1.00 0.00 N ATOM 0 H LYS A 38 2.316 -4.048 9.832 1.00 0.00 H new ATOM 0 HA LYS A 38 3.391 -3.700 7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.319 -3.010 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.685 -4.689 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.705 -3.578 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.246 -4.756 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.081 -2.760 6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.378 -2.953 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.387 -0.708 6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.068 -1.298 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.742 0.403 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.412 -1.070 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.721 -0.499 7.503 1.00 0.00 H new ATOM 393 N GLU A 39 3.434 -6.859 8.181 1.00 0.00 N ATOM 394 CA GLU A 39 3.625 -8.239 7.738 1.00 0.00 C ATOM 395 C GLU A 39 2.742 -8.529 6.520 1.00 0.00 C ATOM 396 O GLU A 39 3.216 -8.916 5.454 1.00 0.00 O ATOM 397 CB GLU A 39 3.248 -9.224 8.859 1.00 0.00 C ATOM 398 CG GLU A 39 4.020 -9.061 10.175 1.00 0.00 C ATOM 399 CD GLU A 39 3.545 -10.087 11.216 1.00 0.00 C ATOM 400 OE1 GLU A 39 2.311 -10.313 11.313 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.369 -10.712 11.913 1.00 0.00 O ATOM 0 H GLU A 39 3.034 -6.799 9.117 1.00 0.00 H new ATOM 0 HA GLU A 39 4.676 -8.366 7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.183 -9.118 9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.401 -10.239 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.087 -9.187 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.879 -8.052 10.562 1.00 0.00 H new ATOM 408 N LYS A 40 1.432 -8.333 6.679 1.00 0.00 N ATOM 409 CA LYS A 40 0.426 -8.648 5.673 1.00 0.00 C ATOM 410 C LYS A 40 0.696 -7.900 4.383 1.00 0.00 C ATOM 411 O LYS A 40 0.480 -8.421 3.291 1.00 0.00 O ATOM 412 CB LYS A 40 -0.949 -8.250 6.186 1.00 0.00 C ATOM 413 CG LYS A 40 -1.217 -8.823 7.576 1.00 0.00 C ATOM 414 CD LYS A 40 -2.723 -8.798 7.798 1.00 0.00 C ATOM 415 CE LYS A 40 -3.134 -9.148 9.227 1.00 0.00 C ATOM 416 NZ LYS A 40 -2.751 -10.527 9.560 1.00 0.00 N ATOM 0 H LYS A 40 1.035 -7.941 7.533 1.00 0.00 H new ATOM 0 HA LYS A 40 0.465 -9.720 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.025 -7.163 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.713 -8.602 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.835 -9.841 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.707 -8.234 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.102 -7.806 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.195 -9.499 7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.662 -8.457 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.212 -9.028 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.071 -10.753 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.194 -11.183 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.717 -10.622 9.507 1.00 0.00 H new ATOM 430 N VAL A 41 1.139 -6.658 4.521 1.00 0.00 N ATOM 431 CA VAL A 41 1.416 -5.764 3.430 1.00 0.00 C ATOM 432 C VAL A 41 2.645 -6.298 2.694 1.00 0.00 C ATOM 433 O VAL A 41 2.530 -6.511 1.484 1.00 0.00 O ATOM 434 CB VAL A 41 1.535 -4.345 4.014 1.00 0.00 C ATOM 435 CG1 VAL A 41 2.009 -3.307 2.996 1.00 0.00 C ATOM 436 CG2 VAL A 41 0.167 -3.884 4.553 1.00 0.00 C ATOM 0 H VAL A 41 1.319 -6.240 5.434 1.00 0.00 H new ATOM 0 HA VAL A 41 0.628 -5.708 2.679 1.00 0.00 H new ATOM 0 HB VAL A 41 2.281 -4.409 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.070 -2.330 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.992 -3.589 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.303 -3.261 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.258 -2.879 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.561 -3.879 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.165 -4.568 5.334 1.00 0.00 H new ATOM 446 N ARG A 42 3.787 -6.534 3.366 1.00 0.00 N ATOM 447 CA ARG A 42 5.002 -6.966 2.684 1.00 0.00 C ATOM 448 C ARG A 42 4.807 -8.318 2.012 1.00 0.00 C ATOM 449 O ARG A 42 5.292 -8.504 0.900 1.00 0.00 O ATOM 450 CB ARG A 42 6.202 -6.948 3.646 1.00 0.00 C ATOM 451 CG ARG A 42 6.280 -8.106 4.649 1.00 0.00 C ATOM 452 CD ARG A 42 7.581 -8.121 5.437 1.00 0.00 C ATOM 453 NE ARG A 42 7.875 -6.856 6.122 1.00 0.00 N ATOM 454 CZ ARG A 42 8.433 -6.727 7.329 1.00 0.00 C ATOM 455 NH1 ARG A 42 8.568 -7.748 8.167 1.00 0.00 N ATOM 456 NH2 ARG A 42 8.889 -5.539 7.684 1.00 0.00 N ATOM 0 H ARG A 42 3.885 -6.431 4.376 1.00 0.00 H new ATOM 0 HA ARG A 42 5.223 -6.256 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.117 -6.945 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.181 -6.012 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.442 -8.036 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.174 -9.050 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.538 -8.922 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.402 -8.356 4.760 1.00 0.00 H new ATOM 0 HE ARG A 42 7.631 -5.996 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.239 -8.675 7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.000 -7.605 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.810 -4.750 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.320 -5.411 8.600 1.00 0.00 H new ATOM 470 N GLU A 43 4.099 -9.247 2.656 1.00 0.00 N ATOM 471 CA GLU A 43 3.863 -10.572 2.102 1.00 0.00 C ATOM 472 C GLU A 43 3.049 -10.434 0.808 1.00 0.00 C ATOM 473 O GLU A 43 3.380 -11.041 -0.212 1.00 0.00 O ATOM 474 CB GLU A 43 3.150 -11.436 3.154 1.00 0.00 C ATOM 475 CG GLU A 43 3.005 -12.903 2.716 1.00 0.00 C ATOM 476 CD GLU A 43 3.960 -13.866 3.432 1.00 0.00 C ATOM 477 OE1 GLU A 43 5.167 -13.943 3.120 1.00 0.00 O ATOM 478 OE2 GLU A 43 3.494 -14.668 4.272 1.00 0.00 O ATOM 0 H GLU A 43 3.676 -9.099 3.572 1.00 0.00 H new ATOM 0 HA GLU A 43 4.802 -11.066 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.706 -11.394 4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.162 -11.020 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.979 -13.225 2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.177 -12.969 1.642 1.00 0.00 H new ATOM 485 N PHE A 44 1.996 -9.610 0.834 1.00 0.00 N ATOM 486 CA PHE A 44 1.076 -9.457 -0.279 1.00 0.00 C ATOM 487 C PHE A 44 1.787 -8.948 -1.533 1.00 0.00 C ATOM 488 O PHE A 44 1.812 -9.659 -2.529 1.00 0.00 O ATOM 489 CB PHE A 44 -0.093 -8.564 0.136 1.00 0.00 C ATOM 490 CG PHE A 44 -1.212 -8.575 -0.869 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.147 -7.774 -2.019 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.306 -9.439 -0.685 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.141 -7.876 -2.998 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.326 -9.476 -1.650 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.251 -8.696 -2.806 1.00 0.00 C ATOM 0 H PHE A 44 1.763 -9.029 1.639 1.00 0.00 H new ATOM 0 HA PHE A 44 0.674 -10.435 -0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.474 -8.895 1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.263 -7.542 0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.330 -7.079 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.362 -10.069 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.047 -7.312 -3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.181 -10.117 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.042 -8.728 -3.541 1.00 0.00 H new ATOM 505 N ILE A 45 2.415 -7.769 -1.514 1.00 0.00 N ATOM 506 CA ILE A 45 3.220 -7.255 -2.641 1.00 0.00 C ATOM 507 C ILE A 45 4.428 -8.129 -3.054 1.00 0.00 C ATOM 508 O ILE A 45 5.097 -7.818 -4.044 1.00 0.00 O ATOM 509 CB ILE A 45 3.669 -5.805 -2.364 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.348 -5.645 -0.981 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.480 -4.853 -2.574 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.801 -5.166 -1.041 1.00 0.00 C ATOM 0 H ILE A 45 2.383 -7.136 -0.715 1.00 0.00 H new ATOM 0 HA ILE A 45 2.550 -7.289 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 45 4.446 -5.535 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.770 -4.939 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.315 -6.602 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.796 -3.828 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.126 -4.934 -3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.674 -5.121 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.198 -5.081 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.397 -5.882 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.843 -4.193 -1.530 1.00 0.00 H new ATOM 524 N PHE A 46 4.723 -9.222 -2.348 1.00 0.00 N ATOM 525 CA PHE A 46 5.654 -10.253 -2.809 1.00 0.00 C ATOM 526 C PHE A 46 4.953 -11.397 -3.557 1.00 0.00 C ATOM 527 O PHE A 46 5.576 -12.046 -4.401 1.00 0.00 O ATOM 528 CB PHE A 46 6.455 -10.781 -1.620 1.00 0.00 C ATOM 529 CG PHE A 46 7.881 -10.264 -1.578 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.866 -10.873 -2.375 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.235 -9.169 -0.771 1.00 0.00 C ATOM 532 CE1 PHE A 46 10.201 -10.449 -2.303 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.572 -8.732 -0.712 1.00 0.00 C ATOM 534 CZ PHE A 46 10.562 -9.392 -1.455 1.00 0.00 C ATOM 0 H PHE A 46 4.319 -9.418 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 46 6.330 -9.794 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.948 -10.502 -0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.472 -11.870 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.593 -11.673 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.478 -8.660 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.954 -10.938 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.836 -7.887 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.595 -9.088 -1.375 1.00 0.00 H new ATOM 544 N LYS A 47 3.688 -11.679 -3.246 1.00 0.00 N ATOM 545 CA LYS A 47 2.878 -12.746 -3.844 1.00 0.00 C ATOM 546 C LYS A 47 2.022 -12.235 -5.008 1.00 0.00 C ATOM 547 O LYS A 47 1.683 -12.982 -5.927 1.00 0.00 O ATOM 548 CB LYS A 47 1.980 -13.315 -2.734 1.00 0.00 C ATOM 549 CG LYS A 47 2.773 -14.235 -1.791 1.00 0.00 C ATOM 550 CD LYS A 47 2.017 -14.678 -0.525 1.00 0.00 C ATOM 551 CE LYS A 47 1.368 -16.062 -0.676 1.00 0.00 C ATOM 552 NZ LYS A 47 1.128 -16.714 0.632 1.00 0.00 N ATOM 0 H LYS A 47 3.176 -11.149 -2.541 1.00 0.00 H new ATOM 0 HA LYS A 47 3.534 -13.513 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.541 -12.497 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.155 -13.871 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.076 -15.124 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.686 -13.721 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.707 -14.695 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.246 -13.943 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.422 -15.962 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.011 -16.698 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.689 -17.645 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.033 -16.835 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.493 -16.121 1.204 1.00 0.00 H new ATOM 566 N TYR A 48 1.651 -10.968 -4.964 1.00 0.00 N ATOM 567 CA TYR A 48 0.686 -10.293 -5.815 1.00 0.00 C ATOM 568 C TYR A 48 1.311 -8.987 -6.317 1.00 0.00 C ATOM 569 O TYR A 48 2.537 -8.821 -6.276 1.00 0.00 O ATOM 570 CB TYR A 48 -0.613 -10.070 -5.025 1.00 0.00 C ATOM 571 CG TYR A 48 -1.227 -11.335 -4.456 1.00 0.00 C ATOM 572 CD1 TYR A 48 -2.063 -12.133 -5.254 1.00 0.00 C ATOM 573 CD2 TYR A 48 -0.934 -11.733 -3.140 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.602 -13.318 -4.731 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.430 -12.941 -2.623 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.295 -13.726 -3.416 1.00 0.00 C ATOM 577 OH TYR A 48 -2.845 -14.867 -2.912 1.00 0.00 O ATOM 0 H TYR A 48 2.050 -10.331 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 48 0.430 -10.895 -6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.412 -9.379 -4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.342 -9.589 -5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.290 -11.835 -6.267 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.318 -11.101 -2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.257 -13.923 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.153 -13.265 -1.631 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.530 -15.005 -1.994 1.00 0.00 H new ATOM 587 N SER A 49 0.490 -8.074 -6.840 1.00 0.00 N ATOM 588 CA SER A 49 0.902 -6.749 -7.247 1.00 0.00 C ATOM 589 C SER A 49 0.323 -5.712 -6.286 1.00 0.00 C ATOM 590 O SER A 49 -0.534 -6.016 -5.456 1.00 0.00 O ATOM 591 CB SER A 49 0.485 -6.566 -8.712 1.00 0.00 C ATOM 592 OG SER A 49 1.290 -5.640 -9.418 1.00 0.00 O ATOM 0 H SER A 49 -0.503 -8.250 -6.992 1.00 0.00 H new ATOM 0 HA SER A 49 1.982 -6.612 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.528 -7.531 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.553 -6.234 -8.747 1.00 0.00 H new ATOM 0 HG SER A 49 0.974 -5.571 -10.343 1.00 0.00 H new ATOM 598 N VAL A 50 0.800 -4.473 -6.403 1.00 0.00 N ATOM 599 CA VAL A 50 0.234 -3.302 -5.737 1.00 0.00 C ATOM 600 C VAL A 50 -1.236 -3.205 -6.135 1.00 0.00 C ATOM 601 O VAL A 50 -2.052 -3.439 -5.256 1.00 0.00 O ATOM 602 CB VAL A 50 1.140 -2.077 -6.011 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.606 -0.796 -5.366 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.547 -2.308 -5.421 1.00 0.00 C ATOM 0 H VAL A 50 1.612 -4.251 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 50 0.223 -3.367 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 50 1.165 -1.962 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.279 0.032 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.385 -0.575 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.543 -0.931 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.173 -1.438 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.470 -2.459 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.994 -3.190 -5.880 1.00 0.00 H new ATOM 614 N GLN A 51 -1.623 -2.956 -7.392 1.00 0.00 N ATOM 615 CA GLN A 51 -3.039 -2.753 -7.748 1.00 0.00 C ATOM 616 C GLN A 51 -3.975 -3.804 -7.108 1.00 0.00 C ATOM 617 O GLN A 51 -5.052 -3.447 -6.634 1.00 0.00 O ATOM 618 CB GLN A 51 -3.174 -2.695 -9.286 1.00 0.00 C ATOM 619 CG GLN A 51 -4.614 -2.533 -9.815 1.00 0.00 C ATOM 620 CD GLN A 51 -5.250 -3.851 -10.271 1.00 0.00 C ATOM 621 OE1 GLN A 51 -5.290 -4.170 -11.459 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.794 -4.625 -9.353 1.00 0.00 N ATOM 0 H GLN A 51 -0.979 -2.890 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.366 -1.800 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.573 -1.864 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.750 -3.607 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.232 -2.092 -9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.609 -1.833 -10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.757 -4.354 -8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.252 -5.495 -9.625 1.00 0.00 H new ATOM 631 N ASP A 52 -3.583 -5.076 -7.050 1.00 0.00 N ATOM 632 CA ASP A 52 -4.349 -6.162 -6.422 1.00 0.00 C ATOM 633 C ASP A 52 -4.616 -5.869 -4.942 1.00 0.00 C ATOM 634 O ASP A 52 -5.730 -6.092 -4.479 1.00 0.00 O ATOM 635 CB ASP A 52 -3.586 -7.505 -6.498 1.00 0.00 C ATOM 636 CG ASP A 52 -3.980 -8.426 -7.645 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.894 -9.262 -7.474 1.00 0.00 O ATOM 638 OD2 ASP A 52 -3.293 -8.369 -8.697 1.00 0.00 O ATOM 0 H ASP A 52 -2.699 -5.393 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.289 -6.231 -6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.520 -7.292 -6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.735 -8.040 -5.560 1.00 0.00 H new ATOM 643 N LEU A 53 -3.640 -5.373 -4.167 1.00 0.00 N ATOM 644 CA LEU A 53 -3.802 -5.102 -2.750 1.00 0.00 C ATOM 645 C LEU A 53 -4.866 -4.024 -2.608 1.00 0.00 C ATOM 646 O LEU A 53 -5.816 -4.179 -1.846 1.00 0.00 O ATOM 647 CB LEU A 53 -2.439 -4.662 -2.166 1.00 0.00 C ATOM 648 CG LEU A 53 -2.403 -4.361 -0.652 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.313 -2.862 -0.479 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.361 -5.210 0.175 1.00 0.00 C ATOM 0 H LEU A 53 -2.710 -5.150 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.123 -5.985 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.709 -5.444 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.112 -3.769 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.501 -4.726 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.286 -2.619 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.406 -2.494 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.182 -2.390 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.274 -4.937 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.383 -5.037 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.112 -6.264 0.052 1.00 0.00 H new ATOM 662 N LEU A 54 -4.743 -2.941 -3.372 1.00 0.00 N ATOM 663 CA LEU A 54 -5.657 -1.843 -3.274 1.00 0.00 C ATOM 664 C LEU A 54 -7.078 -2.284 -3.636 1.00 0.00 C ATOM 665 O LEU A 54 -8.002 -1.838 -2.965 1.00 0.00 O ATOM 666 CB LEU A 54 -5.175 -0.710 -4.172 1.00 0.00 C ATOM 667 CG LEU A 54 -3.804 -0.148 -3.738 1.00 0.00 C ATOM 668 CD1 LEU A 54 -2.602 -0.868 -4.257 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.688 1.272 -4.273 1.00 0.00 C ATOM 0 H LEU A 54 -4.007 -2.815 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.688 -1.485 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.107 -1.069 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.912 0.093 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.796 -0.245 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.699 -0.383 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.623 -1.904 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.605 -0.843 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.727 1.694 -3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.762 1.258 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.492 1.882 -3.862 1.00 0.00 H new ATOM 681 N VAL A 55 -7.265 -3.166 -4.629 1.00 0.00 N ATOM 682 CA VAL A 55 -8.566 -3.763 -4.927 1.00 0.00 C ATOM 683 C VAL A 55 -9.087 -4.525 -3.712 1.00 0.00 C ATOM 684 O VAL A 55 -10.200 -4.276 -3.267 1.00 0.00 O ATOM 685 CB VAL A 55 -8.537 -4.658 -6.181 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.872 -5.402 -6.368 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.331 -3.820 -7.449 1.00 0.00 C ATOM 0 H VAL A 55 -6.516 -3.482 -5.245 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.254 -2.948 -5.153 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.717 -5.361 -6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.819 -6.025 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.063 -6.030 -5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.680 -4.678 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.314 -4.476 -8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.147 -3.105 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.385 -3.283 -7.381 1.00 0.00 H new ATOM 697 N ARG A 56 -8.323 -5.479 -3.185 1.00 0.00 N ATOM 698 CA ARG A 56 -8.773 -6.380 -2.127 1.00 0.00 C ATOM 699 C ARG A 56 -9.153 -5.582 -0.883 1.00 0.00 C ATOM 700 O ARG A 56 -10.157 -5.881 -0.237 1.00 0.00 O ATOM 701 CB ARG A 56 -7.651 -7.390 -1.856 1.00 0.00 C ATOM 702 CG ARG A 56 -7.495 -8.548 -2.867 1.00 0.00 C ATOM 703 CD ARG A 56 -7.924 -8.339 -4.335 1.00 0.00 C ATOM 704 NE ARG A 56 -9.363 -8.582 -4.535 1.00 0.00 N ATOM 705 CZ ARG A 56 -9.900 -9.715 -4.992 1.00 0.00 C ATOM 706 NH1 ARG A 56 -9.128 -10.700 -5.436 1.00 0.00 N ATOM 707 NH2 ARG A 56 -11.215 -9.871 -4.989 1.00 0.00 N ATOM 0 H ARG A 56 -7.363 -5.650 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.667 -6.924 -2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.707 -6.846 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.814 -7.821 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.444 -8.838 -2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.058 -9.397 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.684 -7.321 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.352 -9.008 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.002 -7.821 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.113 -10.595 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.550 -11.562 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.816 -9.126 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.627 -10.736 -5.338 1.00 0.00 H new ATOM 721 N VAL A 57 -8.388 -4.539 -0.566 1.00 0.00 N ATOM 722 CA VAL A 57 -8.712 -3.621 0.513 1.00 0.00 C ATOM 723 C VAL A 57 -10.011 -2.883 0.178 1.00 0.00 C ATOM 724 O VAL A 57 -10.896 -2.809 1.027 1.00 0.00 O ATOM 725 CB VAL A 57 -7.544 -2.635 0.702 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.847 -1.592 1.766 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.235 -3.332 1.081 1.00 0.00 C ATOM 0 H VAL A 57 -7.523 -4.310 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.860 -4.166 1.445 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.423 -2.153 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.997 -0.917 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.730 -1.022 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.032 -2.088 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.448 -2.588 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.369 -3.873 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.955 -4.033 0.294 1.00 0.00 H new ATOM 737 N ALA A 58 -10.117 -2.307 -1.023 1.00 0.00 N ATOM 738 CA ALA A 58 -11.273 -1.530 -1.446 1.00 0.00 C ATOM 739 C ALA A 58 -12.558 -2.345 -1.334 1.00 0.00 C ATOM 740 O ALA A 58 -13.555 -1.831 -0.830 1.00 0.00 O ATOM 741 CB ALA A 58 -11.099 -1.032 -2.882 1.00 0.00 C ATOM 0 H ALA A 58 -9.389 -2.372 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.349 -0.670 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.975 -0.454 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.212 -0.402 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.986 -1.885 -3.552 1.00 0.00 H new ATOM 747 N GLU A 59 -12.509 -3.601 -1.773 1.00 0.00 N ATOM 748 CA GLU A 59 -13.621 -4.533 -1.802 1.00 0.00 C ATOM 749 C GLU A 59 -14.109 -4.801 -0.377 1.00 0.00 C ATOM 750 O GLU A 59 -15.297 -4.670 -0.092 1.00 0.00 O ATOM 751 CB GLU A 59 -13.165 -5.820 -2.506 1.00 0.00 C ATOM 752 CG GLU A 59 -14.353 -6.567 -3.100 1.00 0.00 C ATOM 753 CD GLU A 59 -13.980 -7.977 -3.541 1.00 0.00 C ATOM 754 OE1 GLU A 59 -13.227 -8.137 -4.526 1.00 0.00 O ATOM 755 OE2 GLU A 59 -14.493 -8.963 -2.963 1.00 0.00 O ATOM 0 H GLU A 59 -11.648 -4.011 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.460 -4.115 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.454 -5.575 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.645 -6.463 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.154 -6.618 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.740 -6.011 -3.954 1.00 0.00 H new ATOM 762 N ASP A 60 -13.184 -5.091 0.544 1.00 0.00 N ATOM 763 CA ASP A 60 -13.455 -5.239 1.977 1.00 0.00 C ATOM 764 C ASP A 60 -14.127 -3.976 2.531 1.00 0.00 C ATOM 765 O ASP A 60 -15.099 -4.032 3.291 1.00 0.00 O ATOM 766 CB ASP A 60 -12.123 -5.486 2.707 1.00 0.00 C ATOM 767 CG ASP A 60 -12.234 -5.849 4.191 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.343 -6.054 4.728 1.00 0.00 O ATOM 769 OD2 ASP A 60 -11.173 -5.859 4.864 1.00 0.00 O ATOM 0 H ASP A 60 -12.202 -5.233 0.307 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.130 -6.081 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.593 -6.289 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.509 -4.590 2.616 1.00 0.00 H new ATOM 774 N ARG A 61 -13.625 -2.815 2.110 1.00 0.00 N ATOM 775 CA ARG A 61 -13.876 -1.517 2.730 1.00 0.00 C ATOM 776 C ARG A 61 -14.985 -0.675 2.102 1.00 0.00 C ATOM 777 O ARG A 61 -15.316 0.355 2.690 1.00 0.00 O ATOM 778 CB ARG A 61 -12.558 -0.728 2.721 1.00 0.00 C ATOM 779 CG ARG A 61 -11.545 -1.308 3.711 1.00 0.00 C ATOM 780 CD ARG A 61 -11.898 -0.713 5.068 1.00 0.00 C ATOM 781 NE ARG A 61 -11.392 -1.496 6.188 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.414 -1.045 7.439 1.00 0.00 C ATOM 783 NH1 ARG A 61 -11.601 0.253 7.668 1.00 0.00 N ATOM 784 NH2 ARG A 61 -11.246 -1.910 8.430 1.00 0.00 N ATOM 0 H ARG A 61 -13.010 -2.752 1.298 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.239 -1.727 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.134 -0.740 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.756 0.314 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.602 -2.396 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.526 -1.048 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.496 0.298 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.982 -0.631 5.151 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.007 -2.423 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.726 0.896 6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.619 0.605 8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.104 -2.899 8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.259 -1.586 9.397 1.00 0.00 H new ATOM 798 N ASN A 62 -15.575 -1.079 0.975 1.00 0.00 N ATOM 799 CA ASN A 62 -16.611 -0.318 0.258 1.00 0.00 C ATOM 800 C ASN A 62 -16.034 0.990 -0.315 1.00 0.00 C ATOM 801 O ASN A 62 -16.705 2.027 -0.372 1.00 0.00 O ATOM 802 CB ASN A 62 -17.827 -0.099 1.180 1.00 0.00 C ATOM 803 CG ASN A 62 -19.146 0.011 0.440 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.990 -0.881 0.515 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.372 1.111 -0.248 1.00 0.00 N ATOM 0 H ASN A 62 -15.344 -1.963 0.522 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.960 -0.890 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.887 -0.925 1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.671 0.810 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.261 1.236 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.658 1.838 -0.297 1.00 0.00 H new ATOM 812 N LEU A 63 -14.752 0.958 -0.674 1.00 0.00 N ATOM 813 CA LEU A 63 -13.966 2.042 -1.271 1.00 0.00 C ATOM 814 C LEU A 63 -13.884 1.790 -2.775 1.00 0.00 C ATOM 815 O LEU A 63 -14.768 1.157 -3.343 1.00 0.00 O ATOM 816 CB LEU A 63 -12.612 2.203 -0.549 1.00 0.00 C ATOM 817 CG LEU A 63 -12.756 2.363 0.980 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.383 2.354 1.661 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.490 3.637 1.395 1.00 0.00 C ATOM 0 H LEU A 63 -14.193 0.114 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.445 3.012 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.989 1.334 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.093 3.073 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.354 1.511 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.510 2.468 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.880 1.410 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.781 3.178 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.554 3.682 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.946 4.507 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.495 3.632 0.972 1.00 0.00 H new ATOM 831 N ASP A 64 -12.869 2.327 -3.446 1.00 0.00 N ATOM 832 CA ASP A 64 -12.535 1.903 -4.803 1.00 0.00 C ATOM 833 C ASP A 64 -11.049 2.082 -4.972 1.00 0.00 C ATOM 834 O ASP A 64 -10.551 3.120 -4.540 1.00 0.00 O ATOM 835 CB ASP A 64 -13.208 2.764 -5.860 1.00 0.00 C ATOM 836 CG ASP A 64 -13.266 1.934 -7.139 1.00 0.00 C ATOM 837 OD1 ASP A 64 -12.195 1.865 -7.775 1.00 0.00 O ATOM 838 OD2 ASP A 64 -14.300 1.269 -7.403 1.00 0.00 O ATOM 0 H ASP A 64 -12.263 3.057 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.868 0.873 -4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.210 3.053 -5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.647 3.684 -6.022 1.00 0.00 H new ATOM 843 N VAL A 65 -10.366 1.128 -5.601 1.00 0.00 N ATOM 844 CA VAL A 65 -8.925 1.127 -5.832 1.00 0.00 C ATOM 845 C VAL A 65 -8.479 2.436 -6.474 1.00 0.00 C ATOM 846 O VAL A 65 -7.399 2.937 -6.152 1.00 0.00 O ATOM 847 CB VAL A 65 -8.525 -0.113 -6.646 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.419 -0.310 -7.863 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.071 -0.091 -7.131 1.00 0.00 C ATOM 0 H VAL A 65 -10.823 0.299 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.402 1.064 -4.878 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.646 -0.940 -5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.100 -1.198 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.452 -0.435 -7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.346 0.562 -8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.863 -0.998 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.913 0.779 -7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.402 -0.038 -6.272 1.00 0.00 H new ATOM 859 N GLU A 66 -9.312 3.018 -7.334 1.00 0.00 N ATOM 860 CA GLU A 66 -9.010 4.267 -8.013 1.00 0.00 C ATOM 861 C GLU A 66 -8.838 5.402 -7.009 1.00 0.00 C ATOM 862 O GLU A 66 -8.036 6.313 -7.238 1.00 0.00 O ATOM 863 CB GLU A 66 -10.145 4.596 -8.979 1.00 0.00 C ATOM 864 CG GLU A 66 -10.328 3.539 -10.066 1.00 0.00 C ATOM 865 CD GLU A 66 -9.126 3.484 -11.020 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.071 4.230 -12.033 1.00 0.00 O ATOM 867 OE2 GLU A 66 -8.164 2.745 -10.716 1.00 0.00 O ATOM 0 H GLU A 66 -10.223 2.629 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.075 4.155 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.074 4.697 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.948 5.561 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.469 2.562 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.233 3.755 -10.634 1.00 0.00 H new ATOM 874 N VAL A 67 -9.572 5.350 -5.896 1.00 0.00 N ATOM 875 CA VAL A 67 -9.424 6.295 -4.810 1.00 0.00 C ATOM 876 C VAL A 67 -8.120 6.026 -4.035 1.00 0.00 C ATOM 877 O VAL A 67 -7.322 6.940 -3.859 1.00 0.00 O ATOM 878 CB VAL A 67 -10.702 6.274 -3.960 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.672 7.382 -2.910 1.00 0.00 C ATOM 880 CG2 VAL A 67 -11.969 6.454 -4.835 1.00 0.00 C ATOM 0 H VAL A 67 -10.288 4.643 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.317 7.314 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.742 5.301 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.587 7.348 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.812 7.240 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.595 8.350 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.855 6.434 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.918 7.409 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.026 5.645 -5.563 1.00 0.00 H new ATOM 890 N LEU A 68 -7.823 4.796 -3.588 1.00 0.00 N ATOM 891 CA LEU A 68 -6.592 4.494 -2.890 1.00 0.00 C ATOM 892 C LEU A 68 -5.341 4.826 -3.699 1.00 0.00 C ATOM 893 O LEU A 68 -4.347 5.252 -3.121 1.00 0.00 O ATOM 894 CB LEU A 68 -6.649 3.036 -2.524 1.00 0.00 C ATOM 895 CG LEU A 68 -7.886 2.712 -1.672 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.508 3.778 -0.757 1.00 0.00 C ATOM 897 CD2 LEU A 68 -8.906 1.848 -2.352 1.00 0.00 C ATOM 0 H LEU A 68 -8.439 3.992 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.512 5.121 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.664 2.433 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.748 2.763 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.375 2.112 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.370 3.356 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.770 4.104 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.826 4.631 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.743 1.672 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.265 2.348 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.452 0.895 -2.624 1.00 0.00 H new ATOM 909 N ASN A 69 -5.390 4.641 -5.021 1.00 0.00 N ATOM 910 CA ASN A 69 -4.311 5.016 -5.939 1.00 0.00 C ATOM 911 C ASN A 69 -4.044 6.511 -5.878 1.00 0.00 C ATOM 912 O ASN A 69 -2.882 6.918 -5.865 1.00 0.00 O ATOM 913 CB ASN A 69 -4.659 4.655 -7.385 1.00 0.00 C ATOM 914 CG ASN A 69 -4.260 3.233 -7.724 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.086 2.874 -7.659 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.221 2.406 -8.077 1.00 0.00 N ATOM 0 H ASN A 69 -6.192 4.220 -5.490 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.425 4.463 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.730 4.779 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.156 5.345 -8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.001 1.437 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.186 2.734 -8.121 1.00 0.00 H new ATOM 923 N GLN A 70 -5.094 7.331 -5.838 1.00 0.00 N ATOM 924 CA GLN A 70 -4.944 8.769 -5.671 1.00 0.00 C ATOM 925 C GLN A 70 -4.205 9.055 -4.363 1.00 0.00 C ATOM 926 O GLN A 70 -3.129 9.644 -4.402 1.00 0.00 O ATOM 927 CB GLN A 70 -6.306 9.462 -5.730 1.00 0.00 C ATOM 928 CG GLN A 70 -6.766 9.760 -7.159 1.00 0.00 C ATOM 929 CD GLN A 70 -8.140 10.425 -7.188 1.00 0.00 C ATOM 930 OE1 GLN A 70 -8.327 11.477 -7.794 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.145 9.819 -6.569 1.00 0.00 N ATOM 0 H GLN A 70 -6.061 7.018 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.349 9.175 -6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.049 8.833 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.257 10.395 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.038 10.409 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.800 8.832 -7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.983 8.946 -6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.080 10.226 -6.595 1.00 0.00 H new ATOM 940 N VAL A 71 -4.718 8.622 -3.206 1.00 0.00 N ATOM 941 CA VAL A 71 -4.059 8.947 -1.940 1.00 0.00 C ATOM 942 C VAL A 71 -2.613 8.419 -1.907 1.00 0.00 C ATOM 943 O VAL A 71 -1.735 9.134 -1.426 1.00 0.00 O ATOM 944 CB VAL A 71 -4.912 8.513 -0.743 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.164 8.796 0.557 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.210 9.333 -0.670 1.00 0.00 C ATOM 0 H VAL A 71 -5.565 8.060 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.973 10.031 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.126 7.452 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.776 8.485 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.225 8.242 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.956 9.863 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.799 9.007 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.967 10.390 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.786 9.184 -1.583 1.00 0.00 H new ATOM 956 N ARG A 72 -2.326 7.247 -2.486 1.00 0.00 N ATOM 957 CA ARG A 72 -0.952 6.749 -2.633 1.00 0.00 C ATOM 958 C ARG A 72 -0.053 7.800 -3.276 1.00 0.00 C ATOM 959 O ARG A 72 1.040 8.051 -2.777 1.00 0.00 O ATOM 960 CB ARG A 72 -0.958 5.431 -3.426 1.00 0.00 C ATOM 961 CG ARG A 72 0.446 4.873 -3.730 1.00 0.00 C ATOM 962 CD ARG A 72 0.325 3.406 -4.169 1.00 0.00 C ATOM 963 NE ARG A 72 1.393 2.921 -5.063 1.00 0.00 N ATOM 964 CZ ARG A 72 2.697 2.753 -4.811 1.00 0.00 C ATOM 965 NH1 ARG A 72 3.337 3.398 -3.844 1.00 0.00 N ATOM 966 NH2 ARG A 72 3.361 1.883 -5.565 1.00 0.00 N ATOM 0 H ARG A 72 -3.035 6.619 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.539 6.547 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.520 4.685 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.486 5.588 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.922 5.461 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.079 4.949 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.308 2.778 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.633 3.273 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 72 1.096 2.679 -6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.834 4.058 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.332 3.234 -3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.876 1.373 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.356 1.725 -5.406 1.00 0.00 H new ATOM 980 N ALA A 73 -0.516 8.437 -4.353 1.00 0.00 N ATOM 981 CA ALA A 73 0.245 9.455 -5.052 1.00 0.00 C ATOM 982 C ALA A 73 0.580 10.641 -4.138 1.00 0.00 C ATOM 983 O ALA A 73 1.684 11.182 -4.235 1.00 0.00 O ATOM 984 CB ALA A 73 -0.527 9.915 -6.292 1.00 0.00 C ATOM 0 H ALA A 73 -1.433 8.255 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 73 1.194 9.020 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.047 10.680 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.689 9.066 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.489 10.328 -5.989 1.00 0.00 H new ATOM 990 N GLN A 74 -0.329 11.066 -3.252 1.00 0.00 N ATOM 991 CA GLN A 74 -0.060 12.170 -2.337 1.00 0.00 C ATOM 992 C GLN A 74 0.770 11.785 -1.116 1.00 0.00 C ATOM 993 O GLN A 74 1.485 12.662 -0.629 1.00 0.00 O ATOM 994 CB GLN A 74 -1.260 13.068 -1.990 1.00 0.00 C ATOM 995 CG GLN A 74 -2.608 12.415 -2.171 1.00 0.00 C ATOM 996 CD GLN A 74 -3.091 12.485 -3.617 1.00 0.00 C ATOM 997 OE1 GLN A 74 -2.345 12.617 -4.585 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.388 12.429 -3.749 1.00 0.00 N ATOM 0 H GLN A 74 -1.258 10.657 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 74 0.578 12.815 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.165 13.394 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.218 13.963 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.550 11.372 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.336 12.902 -1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.980 12.319 -2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.810 12.495 -4.675 1.00 0.00 H new