USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 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 USER MOD Set 1.2: A 18 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.5) USER MOD Single : A 12 THR OG1 : rot -20:sc= 0.633 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 0.023 (180deg=0.0079) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 0.529 (180deg=-0.209!) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0395 (180deg=-0.235) 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 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0038) USER MOD Single : A 42 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.12) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.29) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0397 F(o=-0.58,f=-0.04) USER MOD Single : A 57 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 179 N THR A 12 -7.251 7.686 -4.417 1.00 0.00 N ATOM 180 CA THR A 12 -7.888 6.692 -3.555 1.00 0.00 C ATOM 181 C THR A 12 -9.268 7.211 -3.140 1.00 0.00 C ATOM 182 O THR A 12 -9.482 8.417 -2.993 1.00 0.00 O ATOM 183 CB THR A 12 -7.042 6.400 -2.292 1.00 0.00 C ATOM 184 OG1 THR A 12 -5.980 7.326 -2.147 1.00 0.00 O ATOM 185 CG2 THR A 12 -6.463 4.989 -2.252 1.00 0.00 C ATOM 0 HA THR A 12 -7.979 5.760 -4.113 1.00 0.00 H new ATOM 0 HB THR A 12 -7.744 6.499 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.800 7.755 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.883 4.859 -1.338 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.275 4.262 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.817 4.836 -3.116 1.00 0.00 H new ATOM 193 N ALA A 13 -10.188 6.282 -2.905 1.00 0.00 N ATOM 194 CA ALA A 13 -11.524 6.506 -2.375 1.00 0.00 C ATOM 195 C ALA A 13 -11.720 5.826 -1.021 1.00 0.00 C ATOM 196 O ALA A 13 -12.831 5.799 -0.493 1.00 0.00 O ATOM 197 CB ALA A 13 -12.549 6.002 -3.399 1.00 0.00 C ATOM 0 H ALA A 13 -10.009 5.295 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.664 7.574 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.556 6.163 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.426 6.546 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.394 4.938 -3.575 1.00 0.00 H new ATOM 203 N PHE A 14 -10.647 5.247 -0.492 1.00 0.00 N ATOM 204 CA PHE A 14 -10.606 4.573 0.796 1.00 0.00 C ATOM 205 C PHE A 14 -10.488 5.595 1.924 1.00 0.00 C ATOM 206 O PHE A 14 -10.366 6.801 1.688 1.00 0.00 O ATOM 207 CB PHE A 14 -9.414 3.615 0.884 1.00 0.00 C ATOM 208 CG PHE A 14 -9.217 2.600 -0.222 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.289 1.874 -0.785 1.00 0.00 C ATOM 210 CD2 PHE A 14 -7.904 2.331 -0.640 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.035 0.869 -1.734 1.00 0.00 C ATOM 212 CE2 PHE A 14 -7.660 1.354 -1.609 1.00 0.00 C ATOM 213 CZ PHE A 14 -8.715 0.589 -2.125 1.00 0.00 C ATOM 0 H PHE A 14 -9.746 5.235 -0.971 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.531 4.005 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.508 4.218 0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.497 3.069 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.304 2.091 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.079 2.881 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.855 0.312 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.653 1.188 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.514 -0.213 -2.820 1.00 0.00 H new ATOM 223 N THR A 15 -10.472 5.091 3.152 1.00 0.00 N ATOM 224 CA THR A 15 -10.590 5.868 4.369 1.00 0.00 C ATOM 225 C THR A 15 -9.659 5.275 5.431 1.00 0.00 C ATOM 226 O THR A 15 -9.148 4.172 5.239 1.00 0.00 O ATOM 227 CB THR A 15 -12.064 5.867 4.803 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.381 4.594 5.317 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.070 6.199 3.691 1.00 0.00 C ATOM 0 H THR A 15 -10.372 4.091 3.329 1.00 0.00 H new ATOM 0 HA THR A 15 -10.287 6.904 4.217 1.00 0.00 H new ATOM 0 HB THR A 15 -12.156 6.661 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.319 4.580 5.600 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.082 6.173 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.862 7.194 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.981 5.466 2.889 1.00 0.00 H new ATOM 237 N SER A 16 -9.448 5.966 6.555 1.00 0.00 N ATOM 238 CA SER A 16 -8.553 5.506 7.612 1.00 0.00 C ATOM 239 C SER A 16 -9.055 4.160 8.126 1.00 0.00 C ATOM 240 O SER A 16 -8.274 3.220 8.262 1.00 0.00 O ATOM 241 CB SER A 16 -8.472 6.595 8.696 1.00 0.00 C ATOM 242 OG SER A 16 -8.214 6.091 9.997 1.00 0.00 O ATOM 0 H SER A 16 -9.895 6.861 6.755 1.00 0.00 H new ATOM 0 HA SER A 16 -7.537 5.345 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.687 7.303 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.410 7.150 8.711 1.00 0.00 H new ATOM 0 HG SER A 16 -8.174 6.835 10.634 1.00 0.00 H new ATOM 248 N GLU A 17 -10.369 4.046 8.327 1.00 0.00 N ATOM 249 CA GLU A 17 -10.981 2.841 8.863 1.00 0.00 C ATOM 250 C GLU A 17 -10.669 1.623 7.987 1.00 0.00 C ATOM 251 O GLU A 17 -10.514 0.504 8.481 1.00 0.00 O ATOM 252 CB GLU A 17 -12.502 3.041 8.965 1.00 0.00 C ATOM 253 CG GLU A 17 -13.009 2.682 10.363 1.00 0.00 C ATOM 254 CD GLU A 17 -14.442 2.163 10.307 1.00 0.00 C ATOM 255 OE1 GLU A 17 -14.633 0.971 9.979 1.00 0.00 O ATOM 256 OE2 GLU A 17 -15.396 2.945 10.536 1.00 0.00 O ATOM 0 H GLU A 17 -11.035 4.791 8.121 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.567 2.655 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.752 4.077 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.005 2.422 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.361 1.925 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.961 3.559 11.008 1.00 0.00 H new ATOM 263 N GLN A 18 -10.586 1.850 6.676 1.00 0.00 N ATOM 264 CA GLN A 18 -10.464 0.821 5.660 1.00 0.00 C ATOM 265 C GLN A 18 -9.003 0.557 5.287 1.00 0.00 C ATOM 266 O GLN A 18 -8.732 -0.412 4.571 1.00 0.00 O ATOM 267 CB GLN A 18 -11.261 1.279 4.433 1.00 0.00 C ATOM 268 CG GLN A 18 -12.764 1.396 4.723 1.00 0.00 C ATOM 269 CD GLN A 18 -13.530 2.063 3.587 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.408 2.896 3.816 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.295 1.642 2.350 1.00 0.00 N ATOM 0 H GLN A 18 -10.603 2.792 6.285 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.858 -0.119 6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.882 2.244 4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.105 0.573 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.175 0.402 4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.910 1.968 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.564 0.952 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.845 2.009 1.573 1.00 0.00 H new ATOM 280 N LEU A 19 -8.064 1.381 5.750 1.00 0.00 N ATOM 281 CA LEU A 19 -6.632 1.238 5.517 1.00 0.00 C ATOM 282 C LEU A 19 -5.930 0.565 6.698 1.00 0.00 C ATOM 283 O LEU A 19 -4.749 0.252 6.574 1.00 0.00 O ATOM 284 CB LEU A 19 -6.024 2.632 5.285 1.00 0.00 C ATOM 285 CG LEU A 19 -6.428 3.248 3.931 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.184 4.756 3.959 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.643 2.638 2.767 1.00 0.00 C ATOM 0 H LEU A 19 -8.291 2.197 6.319 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.488 0.605 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.338 3.298 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.937 2.561 5.336 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.486 3.034 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.470 5.189 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.780 5.206 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.127 4.950 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.960 3.101 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.577 2.812 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.832 1.565 2.723 1.00 0.00 H new ATOM 299 N LEU A 20 -6.625 0.354 7.818 1.00 0.00 N ATOM 300 CA LEU A 20 -6.026 0.056 9.113 1.00 0.00 C ATOM 301 C LEU A 20 -5.345 -1.305 9.063 1.00 0.00 C ATOM 302 O LEU A 20 -4.164 -1.441 9.384 1.00 0.00 O ATOM 303 CB LEU A 20 -7.136 0.074 10.192 1.00 0.00 C ATOM 304 CG LEU A 20 -7.104 1.320 11.094 1.00 0.00 C ATOM 305 CD1 LEU A 20 -8.403 1.413 11.903 1.00 0.00 C ATOM 306 CD2 LEU A 20 -5.925 1.252 12.072 1.00 0.00 C ATOM 0 H LEU A 20 -7.644 0.387 7.846 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.274 0.805 9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.108 0.017 9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.040 -0.816 10.814 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.995 2.196 10.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.373 2.298 12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.251 1.484 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.510 0.523 12.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.921 2.143 12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.023 0.366 12.699 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.991 1.199 11.513 1.00 0.00 H new ATOM 318 N GLU A 21 -6.116 -2.302 8.648 1.00 0.00 N ATOM 319 CA GLU A 21 -5.727 -3.695 8.532 1.00 0.00 C ATOM 320 C GLU A 21 -4.908 -3.882 7.256 1.00 0.00 C ATOM 321 O GLU A 21 -4.038 -4.739 7.195 1.00 0.00 O ATOM 322 CB GLU A 21 -6.983 -4.575 8.460 1.00 0.00 C ATOM 323 CG GLU A 21 -7.988 -4.288 9.577 1.00 0.00 C ATOM 324 CD GLU A 21 -7.599 -4.915 10.917 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.479 -4.658 11.421 1.00 0.00 O ATOM 326 OE2 GLU A 21 -8.450 -5.601 11.518 1.00 0.00 O ATOM 0 H GLU A 21 -7.085 -2.147 8.368 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.132 -3.981 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.469 -4.424 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.687 -5.623 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.083 -3.209 9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.968 -4.662 9.280 1.00 0.00 H new ATOM 333 N LEU A 22 -5.211 -3.117 6.211 1.00 0.00 N ATOM 334 CA LEU A 22 -4.652 -3.218 4.875 1.00 0.00 C ATOM 335 C LEU A 22 -3.177 -2.807 4.857 1.00 0.00 C ATOM 336 O LEU A 22 -2.336 -3.547 4.340 1.00 0.00 O ATOM 337 CB LEU A 22 -5.525 -2.331 3.979 1.00 0.00 C ATOM 338 CG LEU A 22 -5.055 -2.165 2.532 1.00 0.00 C ATOM 339 CD1 LEU A 22 -4.841 -3.460 1.733 1.00 0.00 C ATOM 340 CD2 LEU A 22 -6.060 -1.268 1.803 1.00 0.00 C ATOM 0 H LEU A 22 -5.896 -2.365 6.284 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.662 -4.246 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.534 -2.743 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.590 -1.343 4.434 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.060 -1.724 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.509 -3.214 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.084 -4.071 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.778 -4.015 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.745 -1.135 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.046 -1.733 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.105 -0.297 2.296 1.00 0.00 H new ATOM 352 N GLU A 23 -2.857 -1.635 5.413 1.00 0.00 N ATOM 353 CA GLU A 23 -1.469 -1.204 5.579 1.00 0.00 C ATOM 354 C GLU A 23 -0.731 -2.126 6.551 1.00 0.00 C ATOM 355 O GLU A 23 0.452 -2.404 6.345 1.00 0.00 O ATOM 356 CB GLU A 23 -1.361 0.266 6.039 1.00 0.00 C ATOM 357 CG GLU A 23 -1.474 1.241 4.855 1.00 0.00 C ATOM 358 CD GLU A 23 -0.852 2.623 5.101 1.00 0.00 C ATOM 359 OE1 GLU A 23 0.366 2.731 5.380 1.00 0.00 O ATOM 360 OE2 GLU A 23 -1.513 3.648 4.800 1.00 0.00 O ATOM 0 H GLU A 23 -3.546 -0.966 5.757 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.995 -1.269 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.147 0.480 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.409 0.419 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.995 0.792 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.528 1.371 4.608 1.00 0.00 H new ATOM 367 N LYS A 24 -1.413 -2.626 7.583 1.00 0.00 N ATOM 368 CA LYS A 24 -0.849 -3.565 8.543 1.00 0.00 C ATOM 369 C LYS A 24 -0.439 -4.857 7.842 1.00 0.00 C ATOM 370 O LYS A 24 0.702 -5.286 7.990 1.00 0.00 O ATOM 371 CB LYS A 24 -1.875 -3.752 9.664 1.00 0.00 C ATOM 372 CG LYS A 24 -1.507 -4.778 10.742 1.00 0.00 C ATOM 373 CD LYS A 24 -2.649 -4.889 11.762 1.00 0.00 C ATOM 374 CE LYS A 24 -2.790 -3.615 12.608 1.00 0.00 C ATOM 375 NZ LYS A 24 -3.997 -3.660 13.449 1.00 0.00 N ATOM 0 H LYS A 24 -2.385 -2.384 7.774 1.00 0.00 H new ATOM 0 HA LYS A 24 0.069 -3.188 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.037 -2.788 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.824 -4.048 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.320 -5.749 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.587 -4.479 11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.585 -5.082 11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.469 -5.741 12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.909 -3.496 13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.833 -2.745 11.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.195 -2.710 13.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.805 -3.983 12.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.845 -4.319 14.239 1.00 0.00 H new ATOM 389 N GLU A 25 -1.318 -5.433 7.025 1.00 0.00 N ATOM 390 CA GLU A 25 -1.042 -6.630 6.243 1.00 0.00 C ATOM 391 C GLU A 25 0.122 -6.374 5.289 1.00 0.00 C ATOM 392 O GLU A 25 0.960 -7.248 5.094 1.00 0.00 O ATOM 393 CB GLU A 25 -2.299 -7.037 5.443 1.00 0.00 C ATOM 394 CG GLU A 25 -2.587 -8.542 5.475 1.00 0.00 C ATOM 395 CD GLU A 25 -3.267 -8.928 6.791 1.00 0.00 C ATOM 396 OE1 GLU A 25 -2.545 -9.185 7.777 1.00 0.00 O ATOM 397 OE2 GLU A 25 -4.516 -8.882 6.858 1.00 0.00 O ATOM 0 H GLU A 25 -2.261 -5.071 6.887 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.773 -7.441 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.161 -6.502 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.178 -6.721 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.226 -8.814 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.657 -9.099 5.362 1.00 0.00 H new ATOM 404 N PHE A 26 0.161 -5.219 4.618 1.00 0.00 N ATOM 405 CA PHE A 26 1.215 -4.904 3.652 1.00 0.00 C ATOM 406 C PHE A 26 2.517 -4.467 4.338 1.00 0.00 C ATOM 407 O PHE A 26 3.530 -4.294 3.661 1.00 0.00 O ATOM 408 CB PHE A 26 0.696 -3.865 2.653 1.00 0.00 C ATOM 409 CG PHE A 26 1.475 -3.759 1.350 1.00 0.00 C ATOM 410 CD1 PHE A 26 1.201 -4.647 0.288 1.00 0.00 C ATOM 411 CD2 PHE A 26 2.462 -2.766 1.185 1.00 0.00 C ATOM 412 CE1 PHE A 26 1.907 -4.535 -0.926 1.00 0.00 C ATOM 413 CE2 PHE A 26 3.173 -2.663 -0.025 1.00 0.00 C ATOM 414 CZ PHE A 26 2.897 -3.546 -1.084 1.00 0.00 C ATOM 0 H PHE A 26 -0.534 -4.480 4.729 1.00 0.00 H new ATOM 0 HA PHE A 26 1.470 -5.810 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.342 -4.101 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.699 -2.889 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.449 -5.413 0.406 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.674 -2.080 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.688 -5.211 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.933 -1.904 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.441 -3.466 -2.013 1.00 0.00 H new ATOM 424 N HIS A 27 2.530 -4.305 5.663 1.00 0.00 N ATOM 425 CA HIS A 27 3.750 -4.116 6.434 1.00 0.00 C ATOM 426 C HIS A 27 4.585 -5.399 6.411 1.00 0.00 C ATOM 427 O HIS A 27 5.815 -5.335 6.466 1.00 0.00 O ATOM 428 CB HIS A 27 3.393 -3.745 7.879 1.00 0.00 C ATOM 429 CG HIS A 27 4.501 -3.051 8.623 1.00 0.00 C ATOM 430 ND1 HIS A 27 5.581 -3.646 9.239 1.00 0.00 N ATOM 431 CD2 HIS A 27 4.585 -1.704 8.839 1.00 0.00 C ATOM 432 CE1 HIS A 27 6.306 -2.670 9.810 1.00 0.00 C ATOM 433 NE2 HIS A 27 5.763 -1.465 9.554 1.00 0.00 N ATOM 0 H HIS A 27 1.683 -4.302 6.232 1.00 0.00 H new ATOM 0 HA HIS A 27 4.334 -3.309 5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.514 -3.100 7.871 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.118 -4.651 8.419 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.872 -0.960 8.516 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.201 -2.830 10.394 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.137 -0.556 9.828 1.00 0.00 H new ATOM 441 N CYS A 28 3.934 -6.562 6.310 1.00 0.00 N ATOM 442 CA CYS A 28 4.572 -7.864 6.448 1.00 0.00 C ATOM 443 C CYS A 28 4.810 -8.543 5.099 1.00 0.00 C ATOM 444 O CYS A 28 5.449 -9.593 5.059 1.00 0.00 O ATOM 445 CB CYS A 28 3.714 -8.736 7.372 1.00 0.00 C ATOM 446 SG CYS A 28 3.494 -7.871 8.957 1.00 0.00 S ATOM 0 H CYS A 28 2.932 -6.620 6.127 1.00 0.00 H new ATOM 0 HA CYS A 28 5.560 -7.724 6.887 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.746 -8.934 6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.194 -9.702 7.532 1.00 0.00 H new ATOM 0 HG CYS A 28 2.766 -8.598 9.751 1.00 0.00 H new ATOM 452 N LYS A 29 4.318 -7.983 3.990 1.00 0.00 N ATOM 453 CA LYS A 29 4.410 -8.640 2.692 1.00 0.00 C ATOM 454 C LYS A 29 4.348 -7.634 1.553 1.00 0.00 C ATOM 455 O LYS A 29 3.428 -6.821 1.473 1.00 0.00 O ATOM 456 CB LYS A 29 3.330 -9.722 2.555 1.00 0.00 C ATOM 457 CG LYS A 29 1.936 -9.241 2.969 1.00 0.00 C ATOM 458 CD LYS A 29 0.845 -9.614 1.963 1.00 0.00 C ATOM 459 CE LYS A 29 0.172 -8.330 1.518 1.00 0.00 C ATOM 460 NZ LYS A 29 -0.700 -7.802 2.583 1.00 0.00 N ATOM 0 H LYS A 29 3.853 -7.076 3.970 1.00 0.00 H new ATOM 0 HA LYS A 29 5.382 -9.130 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.297 -10.064 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.607 -10.581 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.686 -9.667 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.954 -8.158 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.275 -10.137 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.120 -10.289 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.928 -7.588 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.415 -8.514 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.811 -6.775 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.632 -8.259 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.273 -7.999 3.511 1.00 0.00 H new ATOM 474 N LYS A 30 5.326 -7.708 0.651 1.00 0.00 N ATOM 475 CA LYS A 30 5.568 -6.722 -0.403 1.00 0.00 C ATOM 476 C LYS A 30 4.555 -6.742 -1.558 1.00 0.00 C ATOM 477 O LYS A 30 4.657 -5.906 -2.463 1.00 0.00 O ATOM 478 CB LYS A 30 6.991 -6.953 -0.957 1.00 0.00 C ATOM 479 CG LYS A 30 7.870 -5.702 -0.903 1.00 0.00 C ATOM 480 CD LYS A 30 7.346 -4.564 -1.788 1.00 0.00 C ATOM 481 CE LYS A 30 8.286 -3.356 -1.767 1.00 0.00 C ATOM 482 NZ LYS A 30 9.629 -3.674 -2.293 1.00 0.00 N ATOM 0 H LYS A 30 5.993 -8.480 0.633 1.00 0.00 H new ATOM 0 HA LYS A 30 5.454 -5.740 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.470 -7.750 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.921 -7.295 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.934 -5.354 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.882 -5.961 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.234 -4.921 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.356 -4.262 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.850 -2.550 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.377 -2.989 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.153 -2.792 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.145 -4.254 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.537 -4.200 -3.185 1.00 0.00 H new ATOM 496 N TYR A 31 3.636 -7.697 -1.613 1.00 0.00 N ATOM 497 CA TYR A 31 2.801 -7.966 -2.779 1.00 0.00 C ATOM 498 C TYR A 31 1.415 -8.385 -2.306 1.00 0.00 C ATOM 499 O TYR A 31 1.232 -8.665 -1.125 1.00 0.00 O ATOM 500 CB TYR A 31 3.492 -9.029 -3.652 1.00 0.00 C ATOM 501 CG TYR A 31 4.109 -10.192 -2.891 1.00 0.00 C ATOM 502 CD1 TYR A 31 3.301 -11.231 -2.392 1.00 0.00 C ATOM 503 CD2 TYR A 31 5.495 -10.211 -2.640 1.00 0.00 C ATOM 504 CE1 TYR A 31 3.869 -12.280 -1.648 1.00 0.00 C ATOM 505 CE2 TYR A 31 6.068 -11.251 -1.889 1.00 0.00 C ATOM 506 CZ TYR A 31 5.259 -12.296 -1.391 1.00 0.00 C ATOM 507 OH TYR A 31 5.849 -13.287 -0.664 1.00 0.00 O ATOM 0 H TYR A 31 3.445 -8.322 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 31 2.674 -7.077 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.763 -9.425 -4.359 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.273 -8.544 -4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.238 -11.222 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.121 -9.421 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.242 -13.075 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.130 -11.251 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 31 6.812 -13.117 -0.601 1.00 0.00 H new ATOM 517 N LEU A 32 0.428 -8.405 -3.201 1.00 0.00 N ATOM 518 CA LEU A 32 -0.950 -8.756 -2.888 1.00 0.00 C ATOM 519 C LEU A 32 -1.341 -9.903 -3.807 1.00 0.00 C ATOM 520 O LEU A 32 -1.527 -9.728 -5.013 1.00 0.00 O ATOM 521 CB LEU A 32 -1.878 -7.536 -3.018 1.00 0.00 C ATOM 522 CG LEU A 32 -2.996 -7.462 -1.967 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.469 -7.237 -0.544 1.00 0.00 C ATOM 524 CD2 LEU A 32 -3.939 -6.308 -2.310 1.00 0.00 C ATOM 0 H LEU A 32 0.571 -8.172 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.049 -9.077 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.275 -6.630 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.331 -7.546 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.509 -8.424 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.307 -7.194 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.809 -8.059 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.916 -6.298 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.733 -6.254 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.381 -5.372 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.376 -6.475 -3.295 1.00 0.00 H new ATOM 536 N SER A 33 -1.381 -11.088 -3.227 1.00 0.00 N ATOM 537 CA SER A 33 -1.811 -12.337 -3.833 1.00 0.00 C ATOM 538 C SER A 33 -3.300 -12.310 -4.202 1.00 0.00 C ATOM 539 O SER A 33 -3.997 -11.330 -3.937 1.00 0.00 O ATOM 540 CB SER A 33 -1.430 -13.446 -2.846 1.00 0.00 C ATOM 541 OG SER A 33 -0.043 -13.317 -2.563 1.00 0.00 O ATOM 0 H SER A 33 -1.095 -11.213 -2.256 1.00 0.00 H new ATOM 0 HA SER A 33 -1.315 -12.515 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.016 -13.361 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.644 -14.426 -3.272 1.00 0.00 H new ATOM 0 HG SER A 33 0.228 -14.015 -1.931 1.00 0.00 H new ATOM 547 N LEU A 34 -3.791 -13.382 -4.831 1.00 0.00 N ATOM 548 CA LEU A 34 -5.191 -13.523 -5.245 1.00 0.00 C ATOM 549 C LEU A 34 -6.088 -13.451 -4.008 1.00 0.00 C ATOM 550 O LEU A 34 -6.860 -12.507 -3.863 1.00 0.00 O ATOM 551 CB LEU A 34 -5.372 -14.846 -6.012 1.00 0.00 C ATOM 552 CG LEU A 34 -5.047 -14.805 -7.516 1.00 0.00 C ATOM 553 CD1 LEU A 34 -6.152 -14.105 -8.306 1.00 0.00 C ATOM 554 CD2 LEU A 34 -3.706 -14.145 -7.850 1.00 0.00 C ATOM 0 H LEU A 34 -3.217 -14.190 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.475 -12.712 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.742 -15.603 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.405 -15.174 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.976 -15.852 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.891 -14.093 -9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.092 -14.640 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.263 -13.081 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.553 -14.157 -8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.709 -13.114 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.899 -14.693 -7.363 1.00 0.00 H new ATOM 566 N THR A 35 -5.889 -14.396 -3.090 1.00 0.00 N ATOM 567 CA THR A 35 -6.456 -14.433 -1.750 1.00 0.00 C ATOM 568 C THR A 35 -6.353 -13.065 -1.067 1.00 0.00 C ATOM 569 O THR A 35 -7.364 -12.556 -0.590 1.00 0.00 O ATOM 570 CB THR A 35 -5.795 -15.605 -0.978 1.00 0.00 C ATOM 571 OG1 THR A 35 -6.248 -15.720 0.353 1.00 0.00 O ATOM 572 CG2 THR A 35 -4.260 -15.609 -1.001 1.00 0.00 C ATOM 0 H THR A 35 -5.292 -15.202 -3.277 1.00 0.00 H new ATOM 0 HA THR A 35 -7.528 -14.630 -1.778 1.00 0.00 H new ATOM 0 HB THR A 35 -6.124 -16.480 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.799 -16.475 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.890 -16.464 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.912 -15.677 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.887 -14.688 -0.552 1.00 0.00 H new ATOM 580 N GLU A 36 -5.188 -12.420 -1.073 1.00 0.00 N ATOM 581 CA GLU A 36 -4.908 -11.214 -0.309 1.00 0.00 C ATOM 582 C GLU A 36 -5.716 -10.052 -0.858 1.00 0.00 C ATOM 583 O GLU A 36 -6.319 -9.295 -0.098 1.00 0.00 O ATOM 584 CB GLU A 36 -3.414 -10.909 -0.384 1.00 0.00 C ATOM 585 CG GLU A 36 -2.608 -11.587 0.720 1.00 0.00 C ATOM 586 CD GLU A 36 -2.925 -10.928 2.060 1.00 0.00 C ATOM 587 OE1 GLU A 36 -2.361 -9.846 2.321 1.00 0.00 O ATOM 588 OE2 GLU A 36 -3.720 -11.506 2.829 1.00 0.00 O ATOM 0 H GLU A 36 -4.392 -12.735 -1.627 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.191 -11.366 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.032 -11.229 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.266 -9.831 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.848 -12.650 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.542 -11.508 0.507 1.00 0.00 H new ATOM 595 N ARG A 37 -5.755 -9.918 -2.187 1.00 0.00 N ATOM 596 CA ARG A 37 -6.602 -8.942 -2.832 1.00 0.00 C ATOM 597 C ARG A 37 -8.044 -9.130 -2.373 1.00 0.00 C ATOM 598 O ARG A 37 -8.679 -8.144 -2.005 1.00 0.00 O ATOM 599 CB ARG A 37 -6.406 -9.001 -4.357 1.00 0.00 C ATOM 600 CG ARG A 37 -7.371 -8.092 -5.139 1.00 0.00 C ATOM 601 CD ARG A 37 -8.567 -8.857 -5.728 1.00 0.00 C ATOM 602 NE ARG A 37 -8.300 -9.337 -7.100 1.00 0.00 N ATOM 603 CZ ARG A 37 -9.221 -9.411 -8.075 1.00 0.00 C ATOM 604 NH1 ARG A 37 -10.508 -9.336 -7.769 1.00 0.00 N ATOM 605 NH2 ARG A 37 -8.864 -9.530 -9.349 1.00 0.00 N ATOM 0 H ARG A 37 -5.201 -10.483 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.322 -7.930 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.381 -8.717 -4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.538 -10.030 -4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.738 -7.306 -4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.827 -7.601 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.804 -9.706 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.443 -8.209 -5.736 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.349 -9.633 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.795 -9.223 -6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.211 -9.392 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.876 -9.567 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.578 -9.585 -10.076 1.00 0.00 H new ATOM 619 N SER A 38 -8.555 -10.360 -2.387 1.00 0.00 N ATOM 620 CA SER A 38 -9.912 -10.639 -1.946 1.00 0.00 C ATOM 621 C SER A 38 -10.104 -10.468 -0.434 1.00 0.00 C ATOM 622 O SER A 38 -11.239 -10.224 -0.028 1.00 0.00 O ATOM 623 CB SER A 38 -10.294 -12.056 -2.369 1.00 0.00 C ATOM 624 OG SER A 38 -10.211 -12.183 -3.780 1.00 0.00 O ATOM 0 H SER A 38 -8.041 -11.183 -2.703 1.00 0.00 H new ATOM 0 HA SER A 38 -10.566 -9.908 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.631 -12.778 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.306 -12.283 -2.035 1.00 0.00 H new ATOM 0 HG SER A 38 -10.456 -13.095 -4.041 1.00 0.00 H new ATOM 630 N GLN A 39 -9.058 -10.557 0.402 1.00 0.00 N ATOM 631 CA GLN A 39 -9.214 -10.593 1.851 1.00 0.00 C ATOM 632 C GLN A 39 -9.731 -9.240 2.288 1.00 0.00 C ATOM 633 O GLN A 39 -10.855 -9.143 2.774 1.00 0.00 O ATOM 634 CB GLN A 39 -7.910 -10.932 2.606 1.00 0.00 C ATOM 635 CG GLN A 39 -7.427 -12.383 2.481 1.00 0.00 C ATOM 636 CD GLN A 39 -6.995 -12.957 3.828 1.00 0.00 C ATOM 637 OE1 GLN A 39 -7.775 -13.647 4.482 1.00 0.00 O ATOM 638 NE2 GLN A 39 -5.784 -12.673 4.279 1.00 0.00 N ATOM 0 H GLN A 39 -8.089 -10.605 0.088 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.911 -11.393 2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.121 -10.273 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.054 -10.706 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.225 -12.997 2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.592 -12.429 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.153 -12.099 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.481 -13.028 5.186 1.00 0.00 H new ATOM 647 N ILE A 40 -8.931 -8.197 2.067 1.00 0.00 N ATOM 648 CA ILE A 40 -9.333 -6.845 2.406 1.00 0.00 C ATOM 649 C ILE A 40 -10.547 -6.451 1.547 1.00 0.00 C ATOM 650 O ILE A 40 -11.460 -5.809 2.068 1.00 0.00 O ATOM 651 CB ILE A 40 -8.145 -5.865 2.274 1.00 0.00 C ATOM 652 CG1 ILE A 40 -6.980 -6.174 3.248 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.604 -4.438 2.626 1.00 0.00 C ATOM 654 CD1 ILE A 40 -5.903 -7.097 2.665 1.00 0.00 C ATOM 0 H ILE A 40 -8.001 -8.269 1.654 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.639 -6.795 3.451 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.801 -5.967 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.514 -5.236 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.387 -6.632 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.763 -3.751 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.399 -4.133 1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.975 -4.418 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.124 -7.263 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.352 -8.051 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.466 -6.633 1.781 1.00 0.00 H new ATOM 666 N ALA A 41 -10.588 -6.824 0.256 1.00 0.00 N ATOM 667 CA ALA A 41 -11.657 -6.390 -0.641 1.00 0.00 C ATOM 668 C ALA A 41 -13.042 -6.877 -0.215 1.00 0.00 C ATOM 669 O ALA A 41 -14.015 -6.223 -0.592 1.00 0.00 O ATOM 670 CB ALA A 41 -11.396 -6.799 -2.093 1.00 0.00 C ATOM 0 H ALA A 41 -9.891 -7.425 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.652 -5.302 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.217 -6.455 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.464 -6.350 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.321 -7.884 -2.157 1.00 0.00 H new ATOM 676 N HIS A 42 -13.159 -7.940 0.588 1.00 0.00 N ATOM 677 CA HIS A 42 -14.438 -8.380 1.149 1.00 0.00 C ATOM 678 C HIS A 42 -14.369 -8.435 2.683 1.00 0.00 C ATOM 679 O HIS A 42 -15.139 -9.162 3.319 1.00 0.00 O ATOM 680 CB HIS A 42 -14.847 -9.699 0.473 1.00 0.00 C ATOM 681 CG HIS A 42 -16.267 -10.154 0.736 1.00 0.00 C ATOM 682 ND1 HIS A 42 -16.636 -11.423 1.117 1.00 0.00 N ATOM 683 CD2 HIS A 42 -17.412 -9.406 0.638 1.00 0.00 C ATOM 684 CE1 HIS A 42 -17.972 -11.449 1.237 1.00 0.00 C ATOM 685 NE2 HIS A 42 -18.496 -10.241 0.950 1.00 0.00 N ATOM 0 H HIS A 42 -12.367 -8.520 0.867 1.00 0.00 H new ATOM 0 HA HIS A 42 -15.229 -7.661 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.712 -9.592 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.166 -10.483 0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -17.469 -8.362 0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -18.547 -12.317 1.524 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -19.483 -9.985 0.958 1.00 0.00 H new ATOM 693 N ALA A 43 -13.446 -7.676 3.291 1.00 0.00 N ATOM 694 CA ALA A 43 -13.370 -7.510 4.727 1.00 0.00 C ATOM 695 C ALA A 43 -14.219 -6.309 5.107 1.00 0.00 C ATOM 696 O ALA A 43 -15.062 -6.445 5.994 1.00 0.00 O ATOM 697 CB ALA A 43 -11.928 -7.306 5.211 1.00 0.00 C ATOM 0 H ALA A 43 -12.729 -7.159 2.782 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.738 -8.417 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.921 -7.186 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.327 -8.173 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.510 -6.414 4.745 1.00 0.00 H new ATOM 703 N LEU A 44 -13.966 -5.135 4.506 1.00 0.00 N ATOM 704 CA LEU A 44 -14.417 -3.889 5.105 1.00 0.00 C ATOM 705 C LEU A 44 -15.469 -3.197 4.236 1.00 0.00 C ATOM 706 O LEU A 44 -16.652 -3.504 4.374 1.00 0.00 O ATOM 707 CB LEU A 44 -13.180 -3.004 5.366 1.00 0.00 C ATOM 708 CG LEU A 44 -12.177 -3.559 6.400 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.751 -3.464 5.842 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.268 -2.791 7.721 1.00 0.00 C ATOM 0 H LEU A 44 -13.462 -5.032 3.625 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.914 -4.087 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.657 -2.853 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.519 -2.025 5.703 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.426 -4.603 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.046 -3.857 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.680 -4.046 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.512 -2.422 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.551 -3.203 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.043 -1.739 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.275 -2.884 8.127 1.00 0.00 H new ATOM 722 N LYS A 45 -15.067 -2.353 3.280 1.00 0.00 N ATOM 723 CA LYS A 45 -15.922 -1.464 2.490 1.00 0.00 C ATOM 724 C LYS A 45 -15.297 -1.102 1.126 1.00 0.00 C ATOM 725 O LYS A 45 -15.717 -0.131 0.495 1.00 0.00 O ATOM 726 CB LYS A 45 -16.209 -0.184 3.311 1.00 0.00 C ATOM 727 CG LYS A 45 -16.975 -0.360 4.633 1.00 0.00 C ATOM 728 CD LYS A 45 -16.134 -0.553 5.913 1.00 0.00 C ATOM 729 CE LYS A 45 -16.280 0.560 6.961 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.566 0.523 7.687 1.00 0.00 N ATOM 0 H LYS A 45 -14.083 -2.268 3.024 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.852 -1.990 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.256 0.297 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.774 0.503 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.611 0.514 4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.635 -1.221 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.411 -1.502 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.084 -0.630 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.464 0.480 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.178 1.527 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.597 1.300 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.349 0.628 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.658 -0.386 8.184 1.00 0.00 H new ATOM 744 N LEU A 46 -14.252 -1.794 0.674 1.00 0.00 N ATOM 745 CA LEU A 46 -13.442 -1.454 -0.500 1.00 0.00 C ATOM 746 C LEU A 46 -14.141 -1.905 -1.796 1.00 0.00 C ATOM 747 O LEU A 46 -15.269 -2.392 -1.751 1.00 0.00 O ATOM 748 CB LEU A 46 -12.050 -2.102 -0.368 1.00 0.00 C ATOM 749 CG LEU A 46 -11.141 -1.513 0.728 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.545 -1.971 2.130 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.711 -1.968 0.448 1.00 0.00 C ATOM 0 H LEU A 46 -13.931 -2.645 1.135 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.324 -0.372 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.182 -3.166 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.537 -2.015 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.233 -0.427 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.873 -1.528 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.568 -1.654 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.483 -3.058 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.045 -1.564 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.666 -3.057 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.400 -1.608 -0.533 1.00 0.00 H new ATOM 763 N SER A 47 -13.484 -1.743 -2.951 1.00 0.00 N ATOM 764 CA SER A 47 -13.896 -2.306 -4.231 1.00 0.00 C ATOM 765 C SER A 47 -12.674 -3.012 -4.817 1.00 0.00 C ATOM 766 O SER A 47 -11.577 -2.443 -4.814 1.00 0.00 O ATOM 767 CB SER A 47 -14.394 -1.179 -5.143 1.00 0.00 C ATOM 768 OG SER A 47 -14.861 -1.645 -6.397 1.00 0.00 O ATOM 0 H SER A 47 -12.624 -1.198 -3.016 1.00 0.00 H new ATOM 0 HA SER A 47 -14.714 -3.018 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.197 -0.641 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.585 -0.466 -5.305 1.00 0.00 H new ATOM 0 HG SER A 47 -15.167 -0.885 -6.935 1.00 0.00 H new ATOM 774 N GLU A 48 -12.862 -4.227 -5.331 1.00 0.00 N ATOM 775 CA GLU A 48 -11.829 -5.102 -5.891 1.00 0.00 C ATOM 776 C GLU A 48 -10.936 -4.355 -6.888 1.00 0.00 C ATOM 777 O GLU A 48 -9.708 -4.477 -6.849 1.00 0.00 O ATOM 778 CB GLU A 48 -12.522 -6.265 -6.620 1.00 0.00 C ATOM 779 CG GLU A 48 -13.166 -7.316 -5.700 1.00 0.00 C ATOM 780 CD GLU A 48 -14.336 -8.055 -6.370 1.00 0.00 C ATOM 781 OE1 GLU A 48 -14.386 -8.136 -7.621 1.00 0.00 O ATOM 782 OE2 GLU A 48 -15.221 -8.559 -5.645 1.00 0.00 O ATOM 0 H GLU A 48 -13.789 -4.651 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.200 -5.462 -5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.292 -5.857 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.791 -6.761 -7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.410 -8.040 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.522 -6.829 -4.792 1.00 0.00 H new ATOM 789 N VAL A 49 -11.560 -3.588 -7.787 1.00 0.00 N ATOM 790 CA VAL A 49 -10.885 -2.925 -8.897 1.00 0.00 C ATOM 791 C VAL A 49 -9.879 -1.895 -8.384 1.00 0.00 C ATOM 792 O VAL A 49 -8.889 -1.648 -9.060 1.00 0.00 O ATOM 793 CB VAL A 49 -11.926 -2.286 -9.847 1.00 0.00 C ATOM 794 CG1 VAL A 49 -11.237 -1.652 -11.069 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.947 -3.322 -10.348 1.00 0.00 C ATOM 0 H VAL A 49 -12.564 -3.410 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.324 -3.668 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.445 -1.519 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.989 -1.209 -11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.545 -0.878 -10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.688 -2.419 -11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.662 -2.837 -11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.427 -4.113 -10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.476 -3.752 -9.498 1.00 0.00 H new ATOM 805 N GLN A 50 -10.087 -1.299 -7.210 1.00 0.00 N ATOM 806 CA GLN A 50 -9.129 -0.364 -6.639 1.00 0.00 C ATOM 807 C GLN A 50 -7.978 -1.102 -5.963 1.00 0.00 C ATOM 808 O GLN A 50 -6.822 -0.680 -6.037 1.00 0.00 O ATOM 809 CB GLN A 50 -9.829 0.548 -5.620 1.00 0.00 C ATOM 810 CG GLN A 50 -9.761 2.015 -6.035 1.00 0.00 C ATOM 811 CD GLN A 50 -8.327 2.516 -6.175 1.00 0.00 C ATOM 812 OE1 GLN A 50 -7.802 2.619 -7.278 1.00 0.00 O ATOM 813 NE2 GLN A 50 -7.663 2.822 -5.078 1.00 0.00 N ATOM 0 H GLN A 50 -10.917 -1.451 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.721 0.240 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.872 0.247 -5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.364 0.425 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.282 2.146 -6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.285 2.623 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.113 2.731 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.699 3.150 -5.140 1.00 0.00 H new ATOM 822 N VAL A 51 -8.292 -2.194 -5.268 1.00 0.00 N ATOM 823 CA VAL A 51 -7.315 -2.928 -4.473 1.00 0.00 C ATOM 824 C VAL A 51 -6.206 -3.437 -5.397 1.00 0.00 C ATOM 825 O VAL A 51 -5.025 -3.351 -5.060 1.00 0.00 O ATOM 826 CB VAL A 51 -8.018 -4.053 -3.674 1.00 0.00 C ATOM 827 CG1 VAL A 51 -7.041 -4.921 -2.871 1.00 0.00 C ATOM 828 CG2 VAL A 51 -9.034 -3.473 -2.680 1.00 0.00 C ATOM 0 H VAL A 51 -9.230 -2.593 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.848 -2.278 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.510 -4.671 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.595 -5.690 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.331 -5.393 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.502 -4.297 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.512 -4.285 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.521 -2.815 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.791 -2.906 -3.222 1.00 0.00 H new ATOM 838 N LYS A 52 -6.561 -3.876 -6.610 1.00 0.00 N ATOM 839 CA LYS A 52 -5.616 -4.330 -7.621 1.00 0.00 C ATOM 840 C LYS A 52 -4.653 -3.250 -8.136 1.00 0.00 C ATOM 841 O LYS A 52 -3.808 -3.562 -8.974 1.00 0.00 O ATOM 842 CB LYS A 52 -6.396 -5.013 -8.747 1.00 0.00 C ATOM 843 CG LYS A 52 -7.069 -4.054 -9.739 1.00 0.00 C ATOM 844 CD LYS A 52 -6.463 -4.084 -11.147 1.00 0.00 C ATOM 845 CE LYS A 52 -7.515 -3.784 -12.221 1.00 0.00 C ATOM 846 NZ LYS A 52 -7.080 -4.331 -13.523 1.00 0.00 N ATOM 0 H LYS A 52 -7.533 -3.924 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.946 -5.047 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.717 -5.664 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.161 -5.651 -8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.128 -4.302 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.003 -3.039 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.657 -3.353 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.021 -5.063 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.472 -4.220 -11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.667 -2.708 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.799 -4.123 -14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.177 -3.895 -13.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.957 -5.361 -13.443 1.00 0.00 H new ATOM 860 N ILE A 53 -4.765 -1.998 -7.694 1.00 0.00 N ATOM 861 CA ILE A 53 -3.842 -0.914 -8.035 1.00 0.00 C ATOM 862 C ILE A 53 -3.180 -0.360 -6.768 1.00 0.00 C ATOM 863 O ILE A 53 -2.100 0.228 -6.853 1.00 0.00 O ATOM 864 CB ILE A 53 -4.563 0.206 -8.809 1.00 0.00 C ATOM 865 CG1 ILE A 53 -5.333 -0.294 -10.057 1.00 0.00 C ATOM 866 CG2 ILE A 53 -3.556 1.290 -9.249 1.00 0.00 C ATOM 867 CD1 ILE A 53 -6.708 0.372 -10.130 1.00 0.00 C ATOM 0 H ILE A 53 -5.518 -1.701 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.065 -1.319 -8.684 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.298 0.616 -8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.764 -0.070 -10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.447 -1.377 -10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.081 2.074 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.076 1.719 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.799 0.843 -9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.240 0.013 -11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.280 0.125 -9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.586 1.453 -10.196 1.00 0.00 H new ATOM 879 N TRP A 54 -3.766 -0.540 -5.584 1.00 0.00 N ATOM 880 CA TRP A 54 -3.245 0.051 -4.356 1.00 0.00 C ATOM 881 C TRP A 54 -1.809 -0.400 -4.051 1.00 0.00 C ATOM 882 O TRP A 54 -1.050 0.349 -3.433 1.00 0.00 O ATOM 883 CB TRP A 54 -4.222 -0.262 -3.226 1.00 0.00 C ATOM 884 CG TRP A 54 -3.806 0.156 -1.850 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.072 1.334 -1.237 1.00 0.00 C ATOM 886 CD2 TRP A 54 -3.058 -0.635 -0.886 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.585 1.301 0.056 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.920 0.125 0.309 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.500 -1.931 -0.901 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.274 -0.377 1.439 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.854 -2.452 0.235 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.762 -1.684 1.409 1.00 0.00 C ATOM 0 H TRP A 54 -4.610 -1.097 -5.452 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.171 1.132 -4.472 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.174 0.217 -3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.400 -1.337 -3.217 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.585 2.170 -1.689 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.704 2.053 0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.570 -2.531 -1.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.169 0.232 2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.428 -3.444 0.205 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.296 -2.100 2.290 1.00 0.00 H new ATOM 903 N PHE A 55 -1.391 -1.577 -4.524 1.00 0.00 N ATOM 904 CA PHE A 55 0.007 -1.994 -4.453 1.00 0.00 C ATOM 905 C PHE A 55 0.857 -1.323 -5.541 1.00 0.00 C ATOM 906 O PHE A 55 1.937 -0.811 -5.238 1.00 0.00 O ATOM 907 CB PHE A 55 0.141 -3.524 -4.492 1.00 0.00 C ATOM 908 CG PHE A 55 -0.689 -4.235 -5.542 1.00 0.00 C ATOM 909 CD1 PHE A 55 -0.254 -4.308 -6.878 1.00 0.00 C ATOM 910 CD2 PHE A 55 -1.907 -4.829 -5.174 1.00 0.00 C ATOM 911 CE1 PHE A 55 -1.049 -4.964 -7.837 1.00 0.00 C ATOM 912 CE2 PHE A 55 -2.664 -5.537 -6.117 1.00 0.00 C ATOM 913 CZ PHE A 55 -2.238 -5.602 -7.452 1.00 0.00 C ATOM 0 H PHE A 55 -2.008 -2.261 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 55 0.395 -1.658 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.189 -3.773 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.132 -3.918 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.686 -3.862 -7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.262 -4.740 -4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.743 -4.976 -8.873 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.575 -6.033 -5.816 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.824 -6.142 -8.182 1.00 0.00 H new ATOM 923 N GLN A 56 0.429 -1.312 -6.811 1.00 0.00 N ATOM 924 CA GLN A 56 1.253 -0.863 -7.916 1.00 0.00 C ATOM 925 C GLN A 56 1.460 0.646 -7.889 1.00 0.00 C ATOM 926 O GLN A 56 2.563 1.119 -8.180 1.00 0.00 O ATOM 927 CB GLN A 56 0.734 -1.422 -9.230 1.00 0.00 C ATOM 928 CG GLN A 56 -0.766 -1.524 -9.322 1.00 0.00 C ATOM 929 CD GLN A 56 -1.130 -1.476 -10.771 1.00 0.00 C ATOM 930 OE1 GLN A 56 -1.057 -0.280 -11.302 1.00 0.00 O flip ATOM 931 NE2 GLN A 56 -1.291 -2.480 -11.450 1.00 0.00 N flip ATOM 0 H GLN A 56 -0.503 -1.617 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 56 2.258 -1.269 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.092 -0.792 -10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.162 -2.413 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.116 -2.452 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.240 -0.706 -8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.343 -3.395 -11.003 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.373 -2.402 -12.464 1.00 0.00 H new ATOM 940 N ASN A 57 0.441 1.390 -7.455 1.00 0.00 N ATOM 941 CA ASN A 57 0.542 2.836 -7.321 1.00 0.00 C ATOM 942 C ASN A 57 1.412 3.270 -6.142 1.00 0.00 C ATOM 943 O ASN A 57 1.811 4.436 -6.125 1.00 0.00 O ATOM 944 CB ASN A 57 -0.852 3.492 -7.278 1.00 0.00 C ATOM 945 CG ASN A 57 -1.622 3.356 -5.963 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.081 3.535 -4.877 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.923 3.155 -6.020 1.00 0.00 N ATOM 0 H ASN A 57 -0.467 1.008 -7.190 1.00 0.00 H new ATOM 0 HA ASN A 57 1.053 3.194 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.738 4.553 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.458 3.062 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.476 3.149 -5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.377 3.006 -6.921 1.00 0.00 H new ATOM 954 N ARG A 58 1.734 2.386 -5.180 1.00 0.00 N ATOM 955 CA ARG A 58 2.496 2.839 -4.012 1.00 0.00 C ATOM 956 C ARG A 58 3.987 2.936 -4.302 1.00 0.00 C ATOM 957 O ARG A 58 4.714 3.533 -3.517 1.00 0.00 O ATOM 958 CB ARG A 58 2.270 1.949 -2.771 1.00 0.00 C ATOM 959 CG ARG A 58 2.324 2.835 -1.511 1.00 0.00 C ATOM 960 CD ARG A 58 2.455 2.072 -0.189 1.00 0.00 C ATOM 961 NE ARG A 58 1.876 2.889 0.884 1.00 0.00 N ATOM 962 CZ ARG A 58 2.046 2.800 2.206 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.924 1.991 2.789 1.00 0.00 N ATOM 964 NH2 ARG A 58 1.302 3.595 2.955 1.00 0.00 N ATOM 0 H ARG A 58 1.489 1.396 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 58 2.116 3.836 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.306 1.445 -2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.033 1.172 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.167 3.520 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.421 3.444 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.941 1.113 -0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.503 1.858 0.022 1.00 0.00 H new ATOM 0 HE ARG A 58 1.252 3.634 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.519 1.389 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.003 1.972 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.639 4.235 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.391 3.569 3.971 1.00 0.00 H new