USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot 180:sc= 0.0302 USER MOD Set 1.2: A 18 GLN : amide:sc= -3.02! C(o=-3!,f=-2.5!) USER MOD Single : A 12 THR OG1 : rot 33:sc= 0.147 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0826 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.00801 USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.22 (180deg=0.985) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -87:sc= 1.28 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HE2:sc= -0.318 K(o=-0.32,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 50 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -7.268 8.341 -4.054 1.00 0.00 N ATOM 180 CA THR A 12 -7.836 7.014 -3.846 1.00 0.00 C ATOM 181 C THR A 12 -9.161 7.167 -3.095 1.00 0.00 C ATOM 182 O THR A 12 -9.340 8.114 -2.319 1.00 0.00 O ATOM 183 CB THR A 12 -6.811 6.148 -3.091 1.00 0.00 C ATOM 184 OG1 THR A 12 -5.591 6.101 -3.811 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.298 4.728 -2.835 1.00 0.00 C ATOM 0 HA THR A 12 -8.049 6.511 -4.789 1.00 0.00 H new ATOM 0 HB THR A 12 -6.665 6.620 -2.119 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.452 6.953 -4.276 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.529 4.171 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.208 4.758 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.506 4.238 -3.786 1.00 0.00 H new ATOM 193 N ALA A 13 -10.085 6.233 -3.321 1.00 0.00 N ATOM 194 CA ALA A 13 -11.427 6.232 -2.764 1.00 0.00 C ATOM 195 C ALA A 13 -11.539 5.173 -1.658 1.00 0.00 C ATOM 196 O ALA A 13 -12.391 4.281 -1.731 1.00 0.00 O ATOM 197 CB ALA A 13 -12.416 6.049 -3.917 1.00 0.00 C ATOM 0 H ALA A 13 -9.907 5.428 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.666 7.177 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.434 6.045 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.303 6.869 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.217 5.103 -4.421 1.00 0.00 H new ATOM 203 N PHE A 14 -10.661 5.264 -0.650 1.00 0.00 N ATOM 204 CA PHE A 14 -10.746 4.543 0.620 1.00 0.00 C ATOM 205 C PHE A 14 -10.655 5.559 1.763 1.00 0.00 C ATOM 206 O PHE A 14 -10.393 6.747 1.538 1.00 0.00 O ATOM 207 CB PHE A 14 -9.614 3.505 0.729 1.00 0.00 C ATOM 208 CG PHE A 14 -9.483 2.540 -0.435 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.603 1.874 -0.966 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.219 2.315 -1.000 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.459 1.006 -2.062 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.073 1.463 -2.103 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.188 0.791 -2.624 1.00 0.00 C ATOM 0 H PHE A 14 -9.840 5.867 -0.703 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.694 4.007 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.669 4.037 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.765 2.926 1.640 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.578 2.031 -0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.351 2.803 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.323 0.505 -2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.101 1.324 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.071 0.110 -3.454 1.00 0.00 H new ATOM 223 N THR A 15 -10.816 5.098 2.998 1.00 0.00 N ATOM 224 CA THR A 15 -10.908 5.929 4.197 1.00 0.00 C ATOM 225 C THR A 15 -9.657 5.723 5.063 1.00 0.00 C ATOM 226 O THR A 15 -8.809 4.900 4.712 1.00 0.00 O ATOM 227 CB THR A 15 -12.226 5.590 4.905 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.171 4.277 5.411 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.426 5.742 3.961 1.00 0.00 C ATOM 0 H THR A 15 -10.889 4.101 3.201 1.00 0.00 H new ATOM 0 HA THR A 15 -10.929 6.993 3.961 1.00 0.00 H new ATOM 0 HB THR A 15 -12.359 6.292 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.014 4.065 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.343 5.494 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.481 6.771 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.308 5.069 3.111 1.00 0.00 H new ATOM 237 N SER A 16 -9.459 6.496 6.131 1.00 0.00 N ATOM 238 CA SER A 16 -8.273 6.356 6.987 1.00 0.00 C ATOM 239 C SER A 16 -8.333 5.086 7.839 1.00 0.00 C ATOM 240 O SER A 16 -7.306 4.449 8.083 1.00 0.00 O ATOM 241 CB SER A 16 -8.091 7.592 7.878 1.00 0.00 C ATOM 242 OG SER A 16 -9.229 8.440 7.860 1.00 0.00 O ATOM 0 H SER A 16 -10.104 7.228 6.427 1.00 0.00 H new ATOM 0 HA SER A 16 -7.409 6.272 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.894 7.274 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.218 8.152 7.545 1.00 0.00 H new ATOM 0 HG SER A 16 -9.070 9.213 8.442 1.00 0.00 H new ATOM 248 N GLU A 17 -9.540 4.706 8.256 1.00 0.00 N ATOM 249 CA GLU A 17 -9.804 3.486 8.999 1.00 0.00 C ATOM 250 C GLU A 17 -9.533 2.265 8.136 1.00 0.00 C ATOM 251 O GLU A 17 -8.863 1.342 8.585 1.00 0.00 O ATOM 252 CB GLU A 17 -11.270 3.480 9.427 1.00 0.00 C ATOM 253 CG GLU A 17 -11.468 4.164 10.780 1.00 0.00 C ATOM 254 CD GLU A 17 -12.932 4.171 11.219 1.00 0.00 C ATOM 255 OE1 GLU A 17 -13.797 3.623 10.492 1.00 0.00 O ATOM 256 OE2 GLU A 17 -13.218 4.782 12.272 1.00 0.00 O ATOM 0 H GLU A 17 -10.380 5.257 8.079 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.150 3.451 9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.871 3.986 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.628 2.452 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.868 3.654 11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.103 5.190 10.723 1.00 0.00 H new ATOM 263 N GLN A 18 -10.039 2.251 6.900 1.00 0.00 N ATOM 264 CA GLN A 18 -9.869 1.110 6.007 1.00 0.00 C ATOM 265 C GLN A 18 -8.375 0.823 5.780 1.00 0.00 C ATOM 266 O GLN A 18 -7.951 -0.332 5.716 1.00 0.00 O ATOM 267 CB GLN A 18 -10.659 1.387 4.716 1.00 0.00 C ATOM 268 CG GLN A 18 -12.156 1.137 4.972 1.00 0.00 C ATOM 269 CD GLN A 18 -13.080 1.635 3.864 1.00 0.00 C ATOM 270 OE1 GLN A 18 -13.964 2.444 4.106 1.00 0.00 O ATOM 271 NE2 GLN A 18 -12.957 1.133 2.646 1.00 0.00 N ATOM 0 H GLN A 18 -10.571 3.022 6.497 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.271 0.197 6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.500 2.416 4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.303 0.742 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.315 0.067 5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.437 1.621 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.219 0.458 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.600 1.421 1.908 1.00 0.00 H new ATOM 280 N LEU A 19 -7.552 1.870 5.775 1.00 0.00 N ATOM 281 CA LEU A 19 -6.092 1.835 5.730 1.00 0.00 C ATOM 282 C LEU A 19 -5.457 1.335 7.044 1.00 0.00 C ATOM 283 O LEU A 19 -4.293 1.638 7.301 1.00 0.00 O ATOM 284 CB LEU A 19 -5.617 3.249 5.344 1.00 0.00 C ATOM 285 CG LEU A 19 -5.527 3.511 3.829 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.662 2.927 2.967 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.482 5.033 3.659 1.00 0.00 C ATOM 0 H LEU A 19 -7.910 2.825 5.804 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.763 1.109 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.297 3.978 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.636 3.421 5.787 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.638 2.996 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.489 3.177 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.686 1.843 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.615 3.347 3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.418 5.279 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.386 5.473 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.610 5.431 4.178 1.00 0.00 H new ATOM 299 N LEU A 20 -6.180 0.626 7.914 1.00 0.00 N ATOM 300 CA LEU A 20 -5.595 -0.192 8.969 1.00 0.00 C ATOM 301 C LEU A 20 -5.167 -1.526 8.375 1.00 0.00 C ATOM 302 O LEU A 20 -3.981 -1.843 8.368 1.00 0.00 O ATOM 303 CB LEU A 20 -6.611 -0.405 10.106 1.00 0.00 C ATOM 304 CG LEU A 20 -6.477 0.680 11.188 1.00 0.00 C ATOM 305 CD1 LEU A 20 -7.745 0.801 12.036 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.289 0.346 12.094 1.00 0.00 C ATOM 0 H LEU A 20 -7.200 0.606 7.902 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.725 0.314 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.622 -0.393 9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.459 -1.388 10.553 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.319 1.635 10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.607 1.578 12.788 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.588 1.061 11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.944 -0.150 12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.191 1.113 12.862 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.453 -0.622 12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.377 0.310 11.499 1.00 0.00 H new ATOM 318 N GLU A 21 -6.120 -2.291 7.842 1.00 0.00 N ATOM 319 CA GLU A 21 -5.882 -3.668 7.408 1.00 0.00 C ATOM 320 C GLU A 21 -4.961 -3.655 6.186 1.00 0.00 C ATOM 321 O GLU A 21 -4.052 -4.466 6.043 1.00 0.00 O ATOM 322 CB GLU A 21 -7.214 -4.341 7.061 1.00 0.00 C ATOM 323 CG GLU A 21 -8.269 -4.307 8.178 1.00 0.00 C ATOM 324 CD GLU A 21 -8.028 -5.299 9.329 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.896 -5.382 9.862 1.00 0.00 O ATOM 326 OE2 GLU A 21 -9.006 -5.996 9.693 1.00 0.00 O ATOM 0 H GLU A 21 -7.079 -1.974 7.699 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.407 -4.231 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.628 -3.858 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.021 -5.380 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.308 -3.298 8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.246 -4.511 7.741 1.00 0.00 H new ATOM 333 N LEU A 22 -5.167 -2.664 5.318 1.00 0.00 N ATOM 334 CA LEU A 22 -4.409 -2.459 4.091 1.00 0.00 C ATOM 335 C LEU A 22 -2.944 -2.112 4.385 1.00 0.00 C ATOM 336 O LEU A 22 -2.069 -2.330 3.552 1.00 0.00 O ATOM 337 CB LEU A 22 -5.110 -1.327 3.319 1.00 0.00 C ATOM 338 CG LEU A 22 -5.199 -1.476 1.790 1.00 0.00 C ATOM 339 CD1 LEU A 22 -5.866 -2.761 1.291 1.00 0.00 C ATOM 340 CD2 LEU A 22 -6.071 -0.312 1.305 1.00 0.00 C ATOM 0 H LEU A 22 -5.892 -1.960 5.458 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.386 -3.373 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.123 -1.227 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.590 -0.394 3.539 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.177 -1.494 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.877 -2.766 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.307 -3.625 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.889 -2.809 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.173 -0.361 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.056 -0.379 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.604 0.633 1.583 1.00 0.00 H new ATOM 352 N GLU A 23 -2.679 -1.550 5.566 1.00 0.00 N ATOM 353 CA GLU A 23 -1.330 -1.272 6.056 1.00 0.00 C ATOM 354 C GLU A 23 -0.761 -2.449 6.845 1.00 0.00 C ATOM 355 O GLU A 23 0.460 -2.637 6.852 1.00 0.00 O ATOM 356 CB GLU A 23 -1.330 -0.012 6.935 1.00 0.00 C ATOM 357 CG GLU A 23 -1.356 1.233 6.034 1.00 0.00 C ATOM 358 CD GLU A 23 -1.352 2.583 6.753 1.00 0.00 C ATOM 359 OE1 GLU A 23 -1.005 2.706 7.955 1.00 0.00 O ATOM 360 OE2 GLU A 23 -1.564 3.595 6.046 1.00 0.00 O ATOM 0 H GLU A 23 -3.410 -1.271 6.220 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.695 -1.109 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.197 -0.015 7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.444 0.003 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.492 1.195 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.244 1.182 5.404 1.00 0.00 H new ATOM 367 N LYS A 24 -1.613 -3.228 7.513 1.00 0.00 N ATOM 368 CA LYS A 24 -1.215 -4.422 8.245 1.00 0.00 C ATOM 369 C LYS A 24 -0.634 -5.421 7.245 1.00 0.00 C ATOM 370 O LYS A 24 0.522 -5.838 7.365 1.00 0.00 O ATOM 371 CB LYS A 24 -2.452 -4.995 8.969 1.00 0.00 C ATOM 372 CG LYS A 24 -2.113 -6.101 9.981 1.00 0.00 C ATOM 373 CD LYS A 24 -3.329 -6.999 10.279 1.00 0.00 C ATOM 374 CE LYS A 24 -3.648 -7.168 11.767 1.00 0.00 C ATOM 375 NZ LYS A 24 -4.524 -6.087 12.270 1.00 0.00 N ATOM 0 H LYS A 24 -2.615 -3.040 7.559 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.457 -4.198 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.967 -4.186 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.145 -5.392 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.298 -6.711 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.759 -5.649 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.203 -6.582 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.152 -7.983 9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.132 -8.131 11.927 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.720 -7.178 12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.716 -6.238 13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.052 -5.169 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.420 -6.093 11.743 1.00 0.00 H new ATOM 389 N GLU A 25 -1.398 -5.717 6.194 1.00 0.00 N ATOM 390 CA GLU A 25 -1.061 -6.675 5.152 1.00 0.00 C ATOM 391 C GLU A 25 0.115 -6.227 4.272 1.00 0.00 C ATOM 392 O GLU A 25 0.497 -6.954 3.355 1.00 0.00 O ATOM 393 CB GLU A 25 -2.318 -6.969 4.307 1.00 0.00 C ATOM 394 CG GLU A 25 -2.386 -8.426 3.821 1.00 0.00 C ATOM 395 CD GLU A 25 -2.831 -9.386 4.933 1.00 0.00 C ATOM 396 OE1 GLU A 25 -2.187 -9.417 6.007 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.858 -10.081 4.775 1.00 0.00 O ATOM 0 H GLU A 25 -2.305 -5.275 6.043 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.723 -7.590 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.207 -6.747 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.334 -6.303 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.080 -8.496 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.407 -8.730 3.451 1.00 0.00 H new ATOM 404 N PHE A 26 0.715 -5.060 4.526 1.00 0.00 N ATOM 405 CA PHE A 26 1.921 -4.573 3.859 1.00 0.00 C ATOM 406 C PHE A 26 3.122 -4.469 4.811 1.00 0.00 C ATOM 407 O PHE A 26 4.221 -4.139 4.352 1.00 0.00 O ATOM 408 CB PHE A 26 1.623 -3.253 3.128 1.00 0.00 C ATOM 409 CG PHE A 26 1.335 -3.417 1.645 1.00 0.00 C ATOM 410 CD1 PHE A 26 0.170 -4.075 1.212 1.00 0.00 C ATOM 411 CD2 PHE A 26 2.238 -2.909 0.690 1.00 0.00 C ATOM 412 CE1 PHE A 26 -0.102 -4.199 -0.163 1.00 0.00 C ATOM 413 CE2 PHE A 26 1.964 -3.023 -0.683 1.00 0.00 C ATOM 414 CZ PHE A 26 0.781 -3.651 -1.109 1.00 0.00 C ATOM 0 H PHE A 26 0.360 -4.408 5.226 1.00 0.00 H new ATOM 0 HA PHE A 26 2.216 -5.310 3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.767 -2.772 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.474 -2.582 3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.517 -4.486 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.148 -2.428 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.991 -4.716 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.660 -2.629 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.551 -3.712 -2.162 1.00 0.00 H new ATOM 424 N HIS A 27 2.942 -4.766 6.102 1.00 0.00 N ATOM 425 CA HIS A 27 4.021 -4.833 7.079 1.00 0.00 C ATOM 426 C HIS A 27 4.449 -6.284 7.276 1.00 0.00 C ATOM 427 O HIS A 27 5.643 -6.583 7.203 1.00 0.00 O ATOM 428 CB HIS A 27 3.562 -4.216 8.406 1.00 0.00 C ATOM 429 CG HIS A 27 4.589 -4.254 9.517 1.00 0.00 C ATOM 430 ND1 HIS A 27 5.964 -4.310 9.402 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.296 -4.206 10.850 1.00 0.00 C ATOM 432 CE1 HIS A 27 6.483 -4.279 10.638 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.507 -4.204 11.559 1.00 0.00 N ATOM 0 H HIS A 27 2.025 -4.969 6.499 1.00 0.00 H new ATOM 0 HA HIS A 27 4.877 -4.266 6.714 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.279 -3.179 8.228 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.666 -4.738 8.742 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.307 -4.175 11.282 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.539 -4.310 10.862 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.623 -4.155 12.571 1.00 0.00 H new ATOM 441 N CYS A 28 3.502 -7.201 7.510 1.00 0.00 N ATOM 442 CA CYS A 28 3.830 -8.579 7.858 1.00 0.00 C ATOM 443 C CYS A 28 4.394 -9.315 6.637 1.00 0.00 C ATOM 444 O CYS A 28 5.132 -10.293 6.760 1.00 0.00 O ATOM 445 CB CYS A 28 2.582 -9.284 8.408 1.00 0.00 C ATOM 446 SG CYS A 28 1.842 -8.296 9.743 1.00 0.00 S ATOM 0 H CYS A 28 2.502 -7.008 7.463 1.00 0.00 H new ATOM 0 HA CYS A 28 4.597 -8.585 8.633 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.856 -9.431 7.608 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.849 -10.273 8.782 1.00 0.00 H new ATOM 0 HG CYS A 28 0.786 -8.903 10.198 1.00 0.00 H new ATOM 452 N LYS A 29 4.102 -8.809 5.440 1.00 0.00 N ATOM 453 CA LYS A 29 4.532 -9.328 4.153 1.00 0.00 C ATOM 454 C LYS A 29 4.570 -8.188 3.156 1.00 0.00 C ATOM 455 O LYS A 29 3.937 -7.157 3.383 1.00 0.00 O ATOM 456 CB LYS A 29 3.561 -10.436 3.724 1.00 0.00 C ATOM 457 CG LYS A 29 2.064 -10.074 3.829 1.00 0.00 C ATOM 458 CD LYS A 29 1.229 -10.454 2.605 1.00 0.00 C ATOM 459 CE LYS A 29 1.329 -11.918 2.155 1.00 0.00 C ATOM 460 NZ LYS A 29 0.842 -12.867 3.177 1.00 0.00 N ATOM 0 H LYS A 29 3.523 -7.975 5.343 1.00 0.00 H new ATOM 0 HA LYS A 29 5.532 -9.757 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.781 -10.710 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.749 -11.319 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.645 -10.568 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.974 -9.000 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.184 -10.230 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.528 -9.817 1.773 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.754 -12.052 1.239 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.367 -12.150 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.870 -13.834 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.449 -12.811 4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.136 -12.626 3.437 1.00 0.00 H new ATOM 474 N LYS A 30 5.258 -8.375 2.030 1.00 0.00 N ATOM 475 CA LYS A 30 5.435 -7.332 1.018 1.00 0.00 C ATOM 476 C LYS A 30 4.823 -7.735 -0.329 1.00 0.00 C ATOM 477 O LYS A 30 5.134 -7.134 -1.354 1.00 0.00 O ATOM 478 CB LYS A 30 6.930 -6.942 0.950 1.00 0.00 C ATOM 479 CG LYS A 30 7.148 -5.422 1.051 1.00 0.00 C ATOM 480 CD LYS A 30 6.787 -4.644 -0.229 1.00 0.00 C ATOM 481 CE LYS A 30 7.909 -3.703 -0.683 1.00 0.00 C ATOM 482 NZ LYS A 30 8.978 -4.446 -1.384 1.00 0.00 N ATOM 0 H LYS A 30 5.710 -9.258 1.792 1.00 0.00 H new ATOM 0 HA LYS A 30 4.882 -6.437 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.468 -7.437 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.355 -7.305 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.552 -5.035 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.193 -5.232 1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.565 -5.351 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.880 -4.065 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.501 -2.938 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.327 -3.188 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.724 -3.784 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.382 -5.159 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.581 -4.917 -2.222 1.00 0.00 H new ATOM 496 N TYR A 31 3.995 -8.774 -0.374 1.00 0.00 N ATOM 497 CA TYR A 31 3.497 -9.333 -1.615 1.00 0.00 C ATOM 498 C TYR A 31 2.151 -9.996 -1.328 1.00 0.00 C ATOM 499 O TYR A 31 2.074 -10.943 -0.549 1.00 0.00 O ATOM 500 CB TYR A 31 4.578 -10.261 -2.196 1.00 0.00 C ATOM 501 CG TYR A 31 5.213 -11.215 -1.195 1.00 0.00 C ATOM 502 CD1 TYR A 31 4.593 -12.442 -0.902 1.00 0.00 C ATOM 503 CD2 TYR A 31 6.397 -10.857 -0.518 1.00 0.00 C ATOM 504 CE1 TYR A 31 5.123 -13.290 0.082 1.00 0.00 C ATOM 505 CE2 TYR A 31 6.924 -11.696 0.480 1.00 0.00 C ATOM 506 CZ TYR A 31 6.283 -12.912 0.794 1.00 0.00 C ATOM 507 OH TYR A 31 6.773 -13.692 1.795 1.00 0.00 O ATOM 0 H TYR A 31 3.651 -9.252 0.459 1.00 0.00 H new ATOM 0 HA TYR A 31 3.307 -8.583 -2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.138 -10.846 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.363 -9.647 -2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.702 -12.734 -1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.901 -9.935 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.643 -14.234 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.822 -11.408 1.007 1.00 0.00 H new ATOM 0 HH TYR A 31 7.576 -13.275 2.171 1.00 0.00 H new ATOM 517 N LEU A 32 1.057 -9.448 -1.861 1.00 0.00 N ATOM 518 CA LEU A 32 -0.270 -10.031 -1.703 1.00 0.00 C ATOM 519 C LEU A 32 -0.419 -11.178 -2.700 1.00 0.00 C ATOM 520 O LEU A 32 -0.594 -10.939 -3.900 1.00 0.00 O ATOM 521 CB LEU A 32 -1.378 -8.986 -1.907 1.00 0.00 C ATOM 522 CG LEU A 32 -1.372 -7.811 -0.912 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.724 -7.105 -0.986 1.00 0.00 C ATOM 524 CD2 LEU A 32 -1.137 -8.184 0.553 1.00 0.00 C ATOM 0 H LEU A 32 1.069 -8.590 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.374 -10.405 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.293 -8.585 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.343 -9.488 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.530 -7.188 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.737 -6.269 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.886 -6.734 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.516 -7.807 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.153 -7.282 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.922 -8.862 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.168 -8.674 0.653 1.00 0.00 H new ATOM 536 N SER A 33 -0.321 -12.414 -2.217 1.00 0.00 N ATOM 537 CA SER A 33 -0.603 -13.605 -2.997 1.00 0.00 C ATOM 538 C SER A 33 -2.122 -13.784 -3.122 1.00 0.00 C ATOM 539 O SER A 33 -2.734 -14.390 -2.248 1.00 0.00 O ATOM 540 CB SER A 33 0.029 -14.828 -2.332 1.00 0.00 C ATOM 541 OG SER A 33 1.426 -14.707 -2.156 1.00 0.00 O ATOM 0 H SER A 33 -0.039 -12.614 -1.257 1.00 0.00 H new ATOM 0 HA SER A 33 -0.175 -13.498 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.440 -14.989 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.179 -15.711 -2.937 1.00 0.00 H new ATOM 0 HG SER A 33 1.773 -15.516 -1.726 1.00 0.00 H new ATOM 547 N LEU A 34 -2.734 -13.245 -4.180 1.00 0.00 N ATOM 548 CA LEU A 34 -4.117 -13.415 -4.649 1.00 0.00 C ATOM 549 C LEU A 34 -5.209 -13.347 -3.567 1.00 0.00 C ATOM 550 O LEU A 34 -5.882 -12.320 -3.466 1.00 0.00 O ATOM 551 CB LEU A 34 -4.253 -14.627 -5.586 1.00 0.00 C ATOM 552 CG LEU A 34 -5.026 -14.381 -6.895 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.438 -13.841 -6.654 1.00 0.00 C ATOM 554 CD2 LEU A 34 -4.251 -13.462 -7.849 1.00 0.00 C ATOM 0 H LEU A 34 -2.222 -12.613 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.320 -12.520 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.253 -14.981 -5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.748 -15.430 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.130 -15.356 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.937 -13.686 -7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.006 -14.558 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.379 -12.894 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.830 -13.313 -8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.079 -12.500 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.294 -13.920 -8.098 1.00 0.00 H new ATOM 566 N THR A 35 -5.407 -14.395 -2.756 1.00 0.00 N ATOM 567 CA THR A 35 -6.330 -14.385 -1.626 1.00 0.00 C ATOM 568 C THR A 35 -6.087 -13.156 -0.741 1.00 0.00 C ATOM 569 O THR A 35 -7.036 -12.501 -0.329 1.00 0.00 O ATOM 570 CB THR A 35 -6.248 -15.732 -0.858 1.00 0.00 C ATOM 571 OG1 THR A 35 -7.345 -15.906 0.011 1.00 0.00 O ATOM 572 CG2 THR A 35 -4.984 -15.948 -0.018 1.00 0.00 C ATOM 0 H THR A 35 -4.921 -15.284 -2.873 1.00 0.00 H new ATOM 0 HA THR A 35 -7.355 -14.296 -1.987 1.00 0.00 H new ATOM 0 HB THR A 35 -6.241 -16.462 -1.668 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.261 -16.765 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.035 -16.920 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.107 -15.914 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.910 -15.164 0.736 1.00 0.00 H new ATOM 580 N GLU A 36 -4.829 -12.761 -0.525 1.00 0.00 N ATOM 581 CA GLU A 36 -4.463 -11.666 0.365 1.00 0.00 C ATOM 582 C GLU A 36 -5.003 -10.350 -0.219 1.00 0.00 C ATOM 583 O GLU A 36 -5.277 -9.382 0.493 1.00 0.00 O ATOM 584 CB GLU A 36 -2.937 -11.586 0.524 1.00 0.00 C ATOM 585 CG GLU A 36 -2.192 -12.900 0.799 1.00 0.00 C ATOM 586 CD GLU A 36 -2.210 -13.412 2.240 1.00 0.00 C ATOM 587 OE1 GLU A 36 -1.907 -12.667 3.191 1.00 0.00 O ATOM 588 OE2 GLU A 36 -2.213 -14.649 2.415 1.00 0.00 O ATOM 0 H GLU A 36 -4.026 -13.203 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.897 -11.840 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.525 -11.147 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.718 -10.896 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.617 -13.673 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.153 -12.771 0.497 1.00 0.00 H new ATOM 595 N ARG A 37 -5.181 -10.297 -1.547 1.00 0.00 N ATOM 596 CA ARG A 37 -5.837 -9.187 -2.203 1.00 0.00 C ATOM 597 C ARG A 37 -7.330 -9.237 -1.913 1.00 0.00 C ATOM 598 O ARG A 37 -7.867 -8.243 -1.424 1.00 0.00 O ATOM 599 CB ARG A 37 -5.494 -9.100 -3.703 1.00 0.00 C ATOM 600 CG ARG A 37 -6.322 -8.040 -4.459 1.00 0.00 C ATOM 601 CD ARG A 37 -7.543 -8.610 -5.224 1.00 0.00 C ATOM 602 NE ARG A 37 -7.195 -9.598 -6.268 1.00 0.00 N ATOM 603 CZ ARG A 37 -6.390 -9.436 -7.330 1.00 0.00 C ATOM 604 NH1 ARG A 37 -5.817 -8.268 -7.592 1.00 0.00 N ATOM 605 NH2 ARG A 37 -6.173 -10.461 -8.140 1.00 0.00 N ATOM 0 H ARG A 37 -4.869 -11.029 -2.185 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.454 -8.254 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.434 -8.869 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.658 -10.075 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.671 -7.293 -3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.672 -7.526 -5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.220 -9.077 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.086 -7.785 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.621 -10.520 -6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.985 -7.469 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.209 -8.169 -8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.616 -11.361 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.563 -10.351 -8.950 1.00 0.00 H new ATOM 619 N SER A 38 -8.004 -10.337 -2.237 1.00 0.00 N ATOM 620 CA SER A 38 -9.448 -10.450 -2.078 1.00 0.00 C ATOM 621 C SER A 38 -9.923 -10.322 -0.625 1.00 0.00 C ATOM 622 O SER A 38 -11.098 -10.029 -0.418 1.00 0.00 O ATOM 623 CB SER A 38 -9.924 -11.778 -2.657 1.00 0.00 C ATOM 624 OG SER A 38 -9.659 -11.866 -4.046 1.00 0.00 O ATOM 0 H SER A 38 -7.563 -11.175 -2.617 1.00 0.00 H new ATOM 0 HA SER A 38 -9.884 -9.611 -2.620 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.429 -12.600 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.994 -11.889 -2.482 1.00 0.00 H new ATOM 0 HG SER A 38 -10.405 -11.475 -4.547 1.00 0.00 H new ATOM 630 N GLN A 39 -9.039 -10.500 0.359 1.00 0.00 N ATOM 631 CA GLN A 39 -9.352 -10.587 1.774 1.00 0.00 C ATOM 632 C GLN A 39 -9.910 -9.259 2.248 1.00 0.00 C ATOM 633 O GLN A 39 -11.093 -9.127 2.550 1.00 0.00 O ATOM 634 CB GLN A 39 -8.068 -10.970 2.527 1.00 0.00 C ATOM 635 CG GLN A 39 -7.868 -12.488 2.566 1.00 0.00 C ATOM 636 CD GLN A 39 -8.257 -13.005 3.935 1.00 0.00 C ATOM 637 OE1 GLN A 39 -9.433 -13.087 4.276 1.00 0.00 O ATOM 638 NE2 GLN A 39 -7.279 -13.308 4.768 1.00 0.00 N ATOM 0 H GLN A 39 -8.040 -10.591 0.175 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.109 -11.348 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.210 -10.502 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.113 -10.582 3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.474 -12.967 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.828 -12.736 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.308 -13.233 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.494 -13.617 5.716 1.00 0.00 H new ATOM 647 N ILE A 40 -9.059 -8.237 2.276 1.00 0.00 N ATOM 648 CA ILE A 40 -9.463 -6.911 2.700 1.00 0.00 C ATOM 649 C ILE A 40 -10.570 -6.389 1.753 1.00 0.00 C ATOM 650 O ILE A 40 -11.480 -5.682 2.203 1.00 0.00 O ATOM 651 CB ILE A 40 -8.204 -6.022 2.796 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.231 -6.404 3.945 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.635 -4.570 3.033 1.00 0.00 C ATOM 654 CD1 ILE A 40 -6.196 -7.475 3.579 1.00 0.00 C ATOM 0 H ILE A 40 -8.078 -8.309 2.006 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.910 -6.909 3.694 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.672 -6.164 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.705 -5.507 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.815 -6.758 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.752 -3.935 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.258 -4.236 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.202 -4.506 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.561 -7.677 4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.709 -8.390 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.582 -7.120 2.752 1.00 0.00 H new ATOM 666 N ALA A 41 -10.548 -6.803 0.476 1.00 0.00 N ATOM 667 CA ALA A 41 -11.548 -6.473 -0.529 1.00 0.00 C ATOM 668 C ALA A 41 -12.938 -7.078 -0.268 1.00 0.00 C ATOM 669 O ALA A 41 -13.842 -6.783 -1.053 1.00 0.00 O ATOM 670 CB ALA A 41 -11.041 -6.849 -1.925 1.00 0.00 C ATOM 0 H ALA A 41 -9.804 -7.397 0.111 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.690 -5.394 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.798 -6.597 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.125 -6.299 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.838 -7.919 -1.962 1.00 0.00 H new ATOM 676 N HIS A 42 -13.152 -7.868 0.789 1.00 0.00 N ATOM 677 CA HIS A 42 -14.491 -8.184 1.289 1.00 0.00 C ATOM 678 C HIS A 42 -14.625 -7.952 2.797 1.00 0.00 C ATOM 679 O HIS A 42 -15.743 -7.971 3.316 1.00 0.00 O ATOM 680 CB HIS A 42 -14.871 -9.626 0.925 1.00 0.00 C ATOM 681 CG HIS A 42 -14.079 -10.689 1.648 1.00 0.00 C ATOM 682 ND1 HIS A 42 -13.024 -11.409 1.136 1.00 0.00 N ATOM 683 CD2 HIS A 42 -14.295 -11.126 2.928 1.00 0.00 C ATOM 684 CE1 HIS A 42 -12.634 -12.286 2.075 1.00 0.00 C ATOM 685 NE2 HIS A 42 -13.376 -12.147 3.187 1.00 0.00 N ATOM 0 H HIS A 42 -12.400 -8.306 1.321 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.185 -7.499 0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -15.930 -9.773 1.138 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.740 -9.762 -0.149 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.612 -11.297 0.210 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -15.040 -10.750 3.613 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.836 -13.003 1.954 1.00 0.00 H new ATOM 693 N ALA A 43 -13.527 -7.712 3.517 1.00 0.00 N ATOM 694 CA ALA A 43 -13.540 -7.642 4.960 1.00 0.00 C ATOM 695 C ALA A 43 -14.060 -6.280 5.363 1.00 0.00 C ATOM 696 O ALA A 43 -14.664 -6.175 6.431 1.00 0.00 O ATOM 697 CB ALA A 43 -12.124 -7.830 5.514 1.00 0.00 C ATOM 0 H ALA A 43 -12.606 -7.562 3.104 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.177 -8.430 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.149 -7.775 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.740 -8.803 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.474 -7.046 5.126 1.00 0.00 H new ATOM 703 N LEU A 44 -13.798 -5.239 4.547 1.00 0.00 N ATOM 704 CA LEU A 44 -14.043 -3.889 5.006 1.00 0.00 C ATOM 705 C LEU A 44 -15.233 -3.230 4.316 1.00 0.00 C ATOM 706 O LEU A 44 -16.340 -3.369 4.824 1.00 0.00 O ATOM 707 CB LEU A 44 -12.743 -3.063 4.919 1.00 0.00 C ATOM 708 CG LEU A 44 -11.870 -3.125 6.183 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.498 -2.501 5.888 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.522 -2.355 7.339 1.00 0.00 C ATOM 0 H LEU A 44 -13.429 -5.318 3.599 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.337 -3.933 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.158 -3.416 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.000 -2.023 4.719 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.760 -4.171 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.878 -2.544 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.012 -3.053 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.628 -1.461 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.884 -2.414 8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.651 -1.311 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.495 -2.792 7.564 1.00 0.00 H new ATOM 722 N LYS A 45 -14.991 -2.573 3.171 1.00 0.00 N ATOM 723 CA LYS A 45 -15.799 -1.682 2.322 1.00 0.00 C ATOM 724 C LYS A 45 -14.967 -1.333 1.071 1.00 0.00 C ATOM 725 O LYS A 45 -14.807 -0.158 0.710 1.00 0.00 O ATOM 726 CB LYS A 45 -16.194 -0.372 3.050 1.00 0.00 C ATOM 727 CG LYS A 45 -17.171 -0.557 4.209 1.00 0.00 C ATOM 728 CD LYS A 45 -16.535 -0.374 5.600 1.00 0.00 C ATOM 729 CE LYS A 45 -16.240 1.090 5.935 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.437 1.803 6.413 1.00 0.00 N ATOM 0 H LYS A 45 -14.067 -2.674 2.752 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.723 -2.199 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.290 0.105 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.636 0.312 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.989 0.155 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.606 -1.555 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.203 -0.786 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.608 -0.946 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.462 1.137 6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.849 1.592 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.190 2.790 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.171 1.782 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.796 1.341 7.273 1.00 0.00 H new ATOM 744 N LEU A 46 -14.257 -2.305 0.496 1.00 0.00 N ATOM 745 CA LEU A 46 -13.417 -2.105 -0.684 1.00 0.00 C ATOM 746 C LEU A 46 -13.926 -2.991 -1.813 1.00 0.00 C ATOM 747 O LEU A 46 -14.707 -3.912 -1.584 1.00 0.00 O ATOM 748 CB LEU A 46 -11.941 -2.405 -0.372 1.00 0.00 C ATOM 749 CG LEU A 46 -11.246 -1.372 0.530 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.511 -1.656 2.007 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.741 -1.444 0.298 1.00 0.00 C ATOM 0 H LEU A 46 -14.250 -3.265 0.842 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.475 -1.061 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.877 -3.383 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.393 -2.472 -1.312 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.640 -0.386 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.006 -0.908 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.583 -1.617 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.133 -2.647 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.240 -0.714 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.383 -2.444 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.523 -1.225 -0.747 1.00 0.00 H new ATOM 763 N SER A 47 -13.447 -2.738 -3.030 1.00 0.00 N ATOM 764 CA SER A 47 -13.734 -3.535 -4.207 1.00 0.00 C ATOM 765 C SER A 47 -12.414 -3.785 -4.924 1.00 0.00 C ATOM 766 O SER A 47 -11.576 -2.880 -5.004 1.00 0.00 O ATOM 767 CB SER A 47 -14.730 -2.795 -5.104 1.00 0.00 C ATOM 768 OG SER A 47 -15.142 -3.662 -6.136 1.00 0.00 O ATOM 0 H SER A 47 -12.831 -1.948 -3.223 1.00 0.00 H new ATOM 0 HA SER A 47 -14.189 -4.488 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.590 -2.466 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.268 -1.901 -5.524 1.00 0.00 H new ATOM 0 HG SER A 47 -15.782 -3.199 -6.716 1.00 0.00 H new ATOM 774 N GLU A 48 -12.230 -4.999 -5.447 1.00 0.00 N ATOM 775 CA GLU A 48 -10.996 -5.446 -6.085 1.00 0.00 C ATOM 776 C GLU A 48 -10.566 -4.492 -7.209 1.00 0.00 C ATOM 777 O GLU A 48 -9.383 -4.153 -7.304 1.00 0.00 O ATOM 778 CB GLU A 48 -11.165 -6.877 -6.611 1.00 0.00 C ATOM 779 CG GLU A 48 -11.220 -7.924 -5.489 1.00 0.00 C ATOM 780 CD GLU A 48 -11.264 -9.368 -6.014 1.00 0.00 C ATOM 781 OE1 GLU A 48 -11.149 -9.606 -7.243 1.00 0.00 O ATOM 782 OE2 GLU A 48 -11.380 -10.285 -5.174 1.00 0.00 O ATOM 0 H GLU A 48 -12.956 -5.715 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.203 -5.440 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.080 -6.936 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.338 -7.113 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.349 -7.804 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.100 -7.741 -4.872 1.00 0.00 H new ATOM 789 N VAL A 49 -11.524 -3.998 -8.002 1.00 0.00 N ATOM 790 CA VAL A 49 -11.296 -3.037 -9.081 1.00 0.00 C ATOM 791 C VAL A 49 -10.576 -1.784 -8.584 1.00 0.00 C ATOM 792 O VAL A 49 -9.707 -1.276 -9.283 1.00 0.00 O ATOM 793 CB VAL A 49 -12.624 -2.730 -9.804 1.00 0.00 C ATOM 794 CG1 VAL A 49 -13.620 -2.017 -8.883 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.416 -1.888 -11.070 1.00 0.00 C ATOM 0 H VAL A 49 -12.504 -4.264 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.624 -3.483 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.035 -3.697 -10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.542 -1.818 -9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.837 -2.650 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.190 -1.075 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.379 -1.698 -11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.950 -0.940 -10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.771 -2.427 -11.764 1.00 0.00 H new ATOM 805 N GLN A 50 -10.917 -1.284 -7.395 1.00 0.00 N ATOM 806 CA GLN A 50 -10.259 -0.123 -6.825 1.00 0.00 C ATOM 807 C GLN A 50 -8.909 -0.528 -6.225 1.00 0.00 C ATOM 808 O GLN A 50 -7.935 0.218 -6.321 1.00 0.00 O ATOM 809 CB GLN A 50 -11.183 0.545 -5.792 1.00 0.00 C ATOM 810 CG GLN A 50 -11.448 2.018 -6.127 1.00 0.00 C ATOM 811 CD GLN A 50 -10.190 2.870 -6.279 1.00 0.00 C ATOM 812 OE1 GLN A 50 -9.964 3.485 -7.318 1.00 0.00 O ATOM 813 NE2 GLN A 50 -9.360 2.976 -5.258 1.00 0.00 N ATOM 0 H GLN A 50 -11.654 -1.675 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.058 0.611 -7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.130 0.006 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.732 0.474 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.020 2.069 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.071 2.449 -5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.546 2.466 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.533 3.568 -5.333 1.00 0.00 H new ATOM 822 N VAL A 51 -8.841 -1.701 -5.594 1.00 0.00 N ATOM 823 CA VAL A 51 -7.640 -2.199 -4.933 1.00 0.00 C ATOM 824 C VAL A 51 -6.492 -2.352 -5.935 1.00 0.00 C ATOM 825 O VAL A 51 -5.366 -1.971 -5.616 1.00 0.00 O ATOM 826 CB VAL A 51 -7.974 -3.502 -4.178 1.00 0.00 C ATOM 827 CG1 VAL A 51 -6.726 -4.216 -3.656 1.00 0.00 C ATOM 828 CG2 VAL A 51 -8.908 -3.209 -2.995 1.00 0.00 C ATOM 0 H VAL A 51 -9.633 -2.340 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.293 -1.477 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.464 -4.159 -4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.020 -5.126 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.076 -4.472 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.192 -3.559 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.135 -4.138 -2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.420 -2.516 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.833 -2.765 -3.363 1.00 0.00 H new ATOM 838 N LYS A 52 -6.743 -2.814 -7.169 1.00 0.00 N ATOM 839 CA LYS A 52 -5.673 -3.037 -8.135 1.00 0.00 C ATOM 840 C LYS A 52 -4.881 -1.756 -8.435 1.00 0.00 C ATOM 841 O LYS A 52 -3.699 -1.819 -8.770 1.00 0.00 O ATOM 842 CB LYS A 52 -6.232 -3.740 -9.380 1.00 0.00 C ATOM 843 CG LYS A 52 -6.910 -2.780 -10.353 1.00 0.00 C ATOM 844 CD LYS A 52 -7.883 -3.496 -11.302 1.00 0.00 C ATOM 845 CE LYS A 52 -8.725 -2.485 -12.090 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.970 -1.802 -13.159 1.00 0.00 N ATOM 0 H LYS A 52 -7.676 -3.038 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.934 -3.709 -7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.421 -4.257 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.949 -4.501 -9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.450 -2.019 -9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.149 -2.264 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.324 -4.127 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.538 -4.153 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.579 -2.999 -12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.122 -1.739 -11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.595 -1.133 -13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.169 -1.285 -12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.613 -2.506 -13.836 1.00 0.00 H new ATOM 860 N ILE A 53 -5.511 -0.590 -8.279 1.00 0.00 N ATOM 861 CA ILE A 53 -4.908 0.709 -8.537 1.00 0.00 C ATOM 862 C ILE A 53 -4.129 1.191 -7.300 1.00 0.00 C ATOM 863 O ILE A 53 -3.204 2.001 -7.416 1.00 0.00 O ATOM 864 CB ILE A 53 -6.023 1.688 -8.941 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.810 1.205 -10.191 1.00 0.00 C ATOM 866 CG2 ILE A 53 -5.457 3.083 -9.233 1.00 0.00 C ATOM 867 CD1 ILE A 53 -8.309 1.476 -10.045 1.00 0.00 C ATOM 0 H ILE A 53 -6.478 -0.527 -7.962 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.188 0.644 -9.353 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.705 1.732 -8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.432 1.711 -11.079 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.644 0.138 -10.338 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.269 3.753 -9.516 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.962 3.469 -8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.737 3.020 -10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.830 1.126 -10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.691 0.949 -9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.475 2.546 -9.924 1.00 0.00 H new ATOM 879 N TRP A 54 -4.435 0.678 -6.105 1.00 0.00 N ATOM 880 CA TRP A 54 -3.655 0.952 -4.905 1.00 0.00 C ATOM 881 C TRP A 54 -2.216 0.487 -5.123 1.00 0.00 C ATOM 882 O TRP A 54 -1.274 1.201 -4.772 1.00 0.00 O ATOM 883 CB TRP A 54 -4.285 0.258 -3.692 1.00 0.00 C ATOM 884 CG TRP A 54 -3.972 0.875 -2.364 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.537 2.006 -1.897 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.119 0.388 -1.284 1.00 0.00 C ATOM 887 NE1 TRP A 54 -4.137 2.233 -0.598 1.00 0.00 N ATOM 888 CE2 TRP A 54 -3.274 1.254 -0.157 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.267 -0.723 -1.126 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.655 1.007 1.079 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.634 -0.972 0.106 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.825 -0.116 1.202 1.00 0.00 C ATOM 0 H TRP A 54 -5.232 0.061 -5.947 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.650 2.024 -4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.367 0.247 -3.822 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.955 -0.781 -3.678 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.206 2.642 -2.459 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.442 3.026 -0.034 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.098 -1.390 -1.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.815 1.669 1.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.992 -1.834 0.210 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.332 -0.323 2.141 1.00 0.00 H new ATOM 903 N PHE A 55 -2.040 -0.667 -5.777 1.00 0.00 N ATOM 904 CA PHE A 55 -0.715 -1.179 -6.105 1.00 0.00 C ATOM 905 C PHE A 55 -0.015 -0.270 -7.116 1.00 0.00 C ATOM 906 O PHE A 55 1.189 -0.047 -7.000 1.00 0.00 O ATOM 907 CB PHE A 55 -0.796 -2.599 -6.671 1.00 0.00 C ATOM 908 CG PHE A 55 -1.682 -3.544 -5.888 1.00 0.00 C ATOM 909 CD1 PHE A 55 -1.456 -3.778 -4.519 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.748 -4.189 -6.536 1.00 0.00 C ATOM 911 CE1 PHE A 55 -2.312 -4.633 -3.804 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.636 -5.002 -5.815 1.00 0.00 C ATOM 913 CZ PHE A 55 -3.418 -5.222 -4.442 1.00 0.00 C ATOM 0 H PHE A 55 -2.807 -1.263 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.137 -1.200 -5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.162 -2.546 -7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.210 -3.017 -6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.626 -3.301 -4.019 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.886 -4.058 -7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.120 -4.838 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.481 -5.456 -6.311 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.099 -5.843 -3.879 1.00 0.00 H new ATOM 923 N GLN A 56 -0.768 0.280 -8.078 1.00 0.00 N ATOM 924 CA GLN A 56 -0.266 1.219 -9.079 1.00 0.00 C ATOM 925 C GLN A 56 0.458 2.387 -8.395 1.00 0.00 C ATOM 926 O GLN A 56 1.525 2.820 -8.833 1.00 0.00 O ATOM 927 CB GLN A 56 -1.412 1.692 -9.985 1.00 0.00 C ATOM 928 CG GLN A 56 -1.022 1.727 -11.470 1.00 0.00 C ATOM 929 CD GLN A 56 -1.839 0.710 -12.242 1.00 0.00 C ATOM 930 OE1 GLN A 56 -1.399 -0.405 -12.514 1.00 0.00 O ATOM 931 NE2 GLN A 56 -3.079 1.055 -12.506 1.00 0.00 N ATOM 0 H GLN A 56 -1.762 0.078 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 56 0.462 0.717 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.269 1.031 -9.855 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.728 2.688 -9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.190 2.725 -11.876 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.041 1.512 -11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.410 1.989 -12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.710 0.388 -12.951 1.00 0.00 H new ATOM 940 N ASN A 57 -0.107 2.868 -7.284 1.00 0.00 N ATOM 941 CA ASN A 57 0.475 3.923 -6.464 1.00 0.00 C ATOM 942 C ASN A 57 1.655 3.385 -5.655 1.00 0.00 C ATOM 943 O ASN A 57 2.752 3.948 -5.685 1.00 0.00 O ATOM 944 CB ASN A 57 -0.583 4.517 -5.519 1.00 0.00 C ATOM 945 CG ASN A 57 -1.612 5.383 -6.232 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.490 6.605 -6.225 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.651 4.807 -6.814 1.00 0.00 N ATOM 0 H ASN A 57 -0.999 2.525 -6.926 1.00 0.00 H new ATOM 0 HA ASN A 57 0.835 4.710 -7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.096 3.705 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.084 5.113 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.365 5.379 -7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.738 3.791 -6.812 1.00 0.00 H new ATOM 954 N ARG A 58 1.460 2.293 -4.906 1.00 0.00 N ATOM 955 CA ARG A 58 2.455 1.761 -3.964 1.00 0.00 C ATOM 956 C ARG A 58 3.681 1.137 -4.654 1.00 0.00 C ATOM 957 O ARG A 58 4.538 0.575 -3.971 1.00 0.00 O ATOM 958 CB ARG A 58 1.756 0.808 -2.964 1.00 0.00 C ATOM 959 CG ARG A 58 2.210 1.023 -1.502 1.00 0.00 C ATOM 960 CD ARG A 58 1.153 0.474 -0.526 1.00 0.00 C ATOM 961 NE ARG A 58 1.318 0.929 0.872 1.00 0.00 N ATOM 962 CZ ARG A 58 0.883 2.098 1.367 1.00 0.00 C ATOM 963 NH1 ARG A 58 0.450 3.045 0.539 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.879 2.317 2.675 1.00 0.00 N ATOM 0 H ARG A 58 0.599 1.748 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 58 2.875 2.596 -3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.677 0.952 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.958 -0.223 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.164 0.524 -1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.369 2.085 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.164 0.769 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.187 -0.615 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 58 1.803 0.302 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.450 2.881 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.118 3.935 0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.208 1.594 3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.546 3.209 3.042 1.00 0.00 H new