USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 631 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 96 GLN : amide:sc= -1.06 K(o=-0.63,f=-2.2) USER MOD Set 1.2: A 98 TYR OH : rot -56:sc= 0.429 USER MOD Set 2.1: A 45 CYS SG : rot 72:sc= -1.46! USER MOD Set 2.2: A 67 GLN : amide:sc= -3.2! C(o=-4.7!,f=-5.3!) USER MOD Set 3.1: A 18 CYS SG : rot 180:sc= 0.183 USER MOD Set 3.2: A 36 TYR OH : rot -37:sc= -0.0559 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 42 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.14) USER MOD Single : A 44 ASN :FLIP amide:sc= -2.18 F(o=-2.7,f=-2.2) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0468 USER MOD Single : A 50 MET CE :methyl -133:sc= -3.23 (180deg=-7.72!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.42 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.397 USER MOD Single : A 88 CYS SG : rot -69:sc= -1.56 USER MOD Single : A 92 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 95 SER OG : rot 180:sc=-0.00654 USER MOD Single : A 101 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.015) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.045) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -3.01! C(o=-3!,f=-2.9!) USER MOD Single : A 117 GLN : amide:sc=-0.00625 X(o=-0.0062,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 1.947 2.552 -5.093 1.00 0.00 N ATOM 202 CA ARG A 16 2.166 3.967 -4.845 1.00 0.00 C ATOM 203 C ARG A 16 0.956 4.781 -5.308 1.00 0.00 C ATOM 204 O ARG A 16 0.577 4.726 -6.477 1.00 0.00 O ATOM 205 CB ARG A 16 3.416 4.467 -5.572 1.00 0.00 C ATOM 206 CG ARG A 16 4.084 5.604 -4.796 1.00 0.00 C ATOM 207 CD ARG A 16 5.598 5.398 -4.717 1.00 0.00 C ATOM 208 NE ARG A 16 5.900 4.002 -4.332 1.00 0.00 N ATOM 209 CZ ARG A 16 7.089 3.412 -4.517 1.00 0.00 C ATOM 210 NH1 ARG A 16 8.094 4.093 -5.083 1.00 0.00 N ATOM 211 NH2 ARG A 16 7.272 2.140 -4.136 1.00 0.00 N ATOM 0 HA ARG A 16 2.307 4.097 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.121 3.645 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.147 4.812 -6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.868 6.556 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.667 5.656 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.055 5.625 -5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.029 6.086 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 16 5.157 3.454 -3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.954 5.061 -5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.999 3.644 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.506 1.621 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.177 1.691 -4.277 1.00 0.00 H new ATOM 225 N ILE A 17 0.382 5.516 -4.367 1.00 0.00 N ATOM 226 CA ILE A 17 -0.777 6.340 -4.664 1.00 0.00 C ATOM 227 C ILE A 17 -0.382 7.816 -4.587 1.00 0.00 C ATOM 228 O ILE A 17 0.566 8.173 -3.889 1.00 0.00 O ATOM 229 CB ILE A 17 -1.947 5.968 -3.750 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.281 6.396 -4.365 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.751 6.545 -2.346 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.432 5.547 -3.823 1.00 0.00 C ATOM 0 H ILE A 17 0.698 5.558 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.125 6.156 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.972 4.883 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.466 7.448 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.233 6.300 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.596 6.266 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.831 6.149 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.686 7.631 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.369 5.872 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.256 4.499 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.493 5.664 -2.741 1.00 0.00 H new ATOM 244 N CYS A 18 -1.129 8.634 -5.314 1.00 0.00 N ATOM 245 CA CYS A 18 -0.869 10.063 -5.337 1.00 0.00 C ATOM 246 C CYS A 18 -2.205 10.793 -5.488 1.00 0.00 C ATOM 247 O CYS A 18 -3.197 10.198 -5.906 1.00 0.00 O ATOM 248 CB CYS A 18 0.117 10.441 -6.444 1.00 0.00 C ATOM 249 SG CYS A 18 -0.418 9.709 -8.034 1.00 0.00 S ATOM 0 H CYS A 18 -1.914 8.334 -5.892 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.396 10.364 -4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.176 11.526 -6.535 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.116 10.087 -6.189 1.00 0.00 H new ATOM 0 HG CYS A 18 0.424 10.037 -8.968 1.00 0.00 H new ATOM 255 N GLY A 19 -2.188 12.071 -5.140 1.00 0.00 N ATOM 256 CA GLY A 19 -3.386 12.888 -5.233 1.00 0.00 C ATOM 257 C GLY A 19 -3.320 14.069 -4.262 1.00 0.00 C ATOM 258 O GLY A 19 -2.609 14.016 -3.261 1.00 0.00 O ATOM 0 H GLY A 19 -1.363 12.561 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.501 13.256 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.263 12.280 -5.013 1.00 0.00 H new ATOM 262 N PHE A 20 -4.073 15.108 -4.594 1.00 0.00 N ATOM 263 CA PHE A 20 -4.109 16.301 -3.764 1.00 0.00 C ATOM 264 C PHE A 20 -5.108 16.140 -2.616 1.00 0.00 C ATOM 265 O PHE A 20 -6.312 16.037 -2.846 1.00 0.00 O ATOM 266 CB PHE A 20 -4.562 17.455 -4.660 1.00 0.00 C ATOM 267 CG PHE A 20 -3.605 17.759 -5.815 1.00 0.00 C ATOM 268 CD1 PHE A 20 -3.680 17.040 -6.967 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.680 18.748 -5.689 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.791 17.322 -8.038 1.00 0.00 C ATOM 271 CE2 PHE A 20 -1.792 19.030 -6.761 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.866 18.311 -7.913 1.00 0.00 C ATOM 0 H PHE A 20 -4.662 15.149 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.125 16.483 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.545 17.220 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.676 18.351 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.415 16.255 -7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.621 19.319 -4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.850 16.751 -8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.058 19.816 -6.661 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.191 18.525 -8.728 1.00 0.00 H new ATOM 282 N LEU A 21 -4.571 16.123 -1.405 1.00 0.00 N ATOM 283 CA LEU A 21 -5.400 15.976 -0.221 1.00 0.00 C ATOM 284 C LEU A 21 -5.297 17.244 0.629 1.00 0.00 C ATOM 285 O LEU A 21 -4.215 17.810 0.778 1.00 0.00 O ATOM 286 CB LEU A 21 -5.032 14.698 0.536 1.00 0.00 C ATOM 287 CG LEU A 21 -4.889 13.433 -0.314 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.477 12.238 0.547 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.170 13.156 -1.104 1.00 0.00 C ATOM 0 H LEU A 21 -3.572 16.209 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.447 15.863 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.092 14.868 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.792 14.517 1.296 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.092 13.597 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.382 11.352 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.520 12.447 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.234 12.062 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.042 12.252 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.002 13.020 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.380 13.998 -1.763 1.00 0.00 H new ATOM 301 N ASP A 22 -6.438 17.655 1.163 1.00 0.00 N ATOM 302 CA ASP A 22 -6.490 18.846 1.993 1.00 0.00 C ATOM 303 C ASP A 22 -6.307 18.448 3.459 1.00 0.00 C ATOM 304 O ASP A 22 -7.275 18.118 4.142 1.00 0.00 O ATOM 305 CB ASP A 22 -7.841 19.551 1.860 1.00 0.00 C ATOM 306 CG ASP A 22 -7.796 20.905 1.149 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.702 21.249 0.652 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.857 21.566 1.118 1.00 0.00 O ATOM 0 H ASP A 22 -7.334 17.184 1.037 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.698 19.520 1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.524 18.896 1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.259 19.694 2.856 1.00 0.00 H new ATOM 313 N ILE A 23 -5.059 18.494 3.900 1.00 0.00 N ATOM 314 CA ILE A 23 -4.736 18.143 5.272 1.00 0.00 C ATOM 315 C ILE A 23 -4.970 19.357 6.173 1.00 0.00 C ATOM 316 O ILE A 23 -4.630 20.481 5.807 1.00 0.00 O ATOM 317 CB ILE A 23 -3.318 17.576 5.361 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.956 17.229 6.807 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.304 18.532 4.730 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.677 16.391 6.866 1.00 0.00 C ATOM 0 H ILE A 23 -4.259 18.769 3.331 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.394 17.350 5.627 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.285 16.649 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.822 18.145 7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.776 16.680 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.304 18.105 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.553 18.686 3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.331 19.488 5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.442 16.158 7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.823 15.465 6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.853 16.953 6.425 1.00 0.00 H new ATOM 332 N GLU A 24 -5.550 19.089 7.334 1.00 0.00 N ATOM 333 CA GLU A 24 -5.834 20.146 8.291 1.00 0.00 C ATOM 334 C GLU A 24 -4.571 20.503 9.077 1.00 0.00 C ATOM 335 O GLU A 24 -3.989 19.649 9.744 1.00 0.00 O ATOM 336 CB GLU A 24 -6.970 19.743 9.232 1.00 0.00 C ATOM 337 CG GLU A 24 -7.605 20.973 9.883 1.00 0.00 C ATOM 338 CD GLU A 24 -8.287 20.604 11.202 1.00 0.00 C ATOM 339 OE1 GLU A 24 -9.170 19.720 11.157 1.00 0.00 O ATOM 340 OE2 GLU A 24 -7.911 21.215 12.226 1.00 0.00 O ATOM 0 H GLU A 24 -5.831 18.155 7.634 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.158 21.030 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.727 19.189 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.588 19.075 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.841 21.729 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.334 21.413 9.203 1.00 0.00 H new ATOM 442 N PHE A 32 -7.511 23.900 5.634 1.00 0.00 N ATOM 443 CA PHE A 32 -6.685 22.769 5.248 1.00 0.00 C ATOM 444 C PHE A 32 -5.598 23.196 4.259 1.00 0.00 C ATOM 445 O PHE A 32 -5.750 24.195 3.558 1.00 0.00 O ATOM 446 CB PHE A 32 -7.606 21.753 4.569 1.00 0.00 C ATOM 447 CG PHE A 32 -8.829 21.368 5.402 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.818 22.276 5.619 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.928 20.117 5.927 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.954 21.918 6.392 1.00 0.00 C ATOM 451 CE2 PHE A 32 -10.064 19.759 6.700 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.053 20.668 6.917 1.00 0.00 C ATOM 0 HA PHE A 32 -6.195 22.350 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.942 22.163 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.034 20.853 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.739 23.270 5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.142 19.396 5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.740 22.639 6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.143 18.765 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.916 20.396 7.506 1.00 0.00 H new ATOM 462 N LEU A 33 -4.527 22.417 4.233 1.00 0.00 N ATOM 463 CA LEU A 33 -3.416 22.702 3.342 1.00 0.00 C ATOM 464 C LEU A 33 -3.429 21.704 2.182 1.00 0.00 C ATOM 465 O LEU A 33 -3.129 20.526 2.369 1.00 0.00 O ATOM 466 CB LEU A 33 -2.098 22.725 4.118 1.00 0.00 C ATOM 467 CG LEU A 33 -1.919 23.884 5.101 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.436 24.192 5.322 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.699 25.118 4.642 1.00 0.00 C ATOM 0 H LEU A 33 -4.405 21.588 4.815 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.521 23.697 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.008 21.789 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.277 22.753 3.401 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.332 23.582 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.337 25.019 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.062 23.311 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.024 24.465 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.555 25.927 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.339 25.432 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.760 24.875 4.578 1.00 0.00 H new ATOM 481 N ARG A 34 -3.779 22.212 1.010 1.00 0.00 N ATOM 482 CA ARG A 34 -3.835 21.380 -0.180 1.00 0.00 C ATOM 483 C ARG A 34 -2.422 21.070 -0.678 1.00 0.00 C ATOM 484 O ARG A 34 -1.697 21.970 -1.099 1.00 0.00 O ATOM 485 CB ARG A 34 -4.622 22.067 -1.297 1.00 0.00 C ATOM 486 CG ARG A 34 -4.709 21.175 -2.536 1.00 0.00 C ATOM 487 CD ARG A 34 -4.198 21.909 -3.778 1.00 0.00 C ATOM 488 NE ARG A 34 -4.714 21.255 -5.001 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.677 21.808 -6.221 1.00 0.00 C ATOM 490 NH1 ARG A 34 -4.148 23.028 -6.388 1.00 0.00 N ATOM 491 NH2 ARG A 34 -5.169 21.141 -7.274 1.00 0.00 N ATOM 0 H ARG A 34 -4.027 23.190 0.859 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.342 20.453 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.626 22.306 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.142 23.011 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.124 20.269 -2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.742 20.864 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.516 22.951 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.108 21.909 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.123 20.325 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.774 23.536 -5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.120 23.449 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.572 20.212 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.141 21.562 -8.203 1.00 0.00 H new ATOM 505 N ARG A 35 -2.072 19.793 -0.613 1.00 0.00 N ATOM 506 CA ARG A 35 -0.759 19.353 -1.052 1.00 0.00 C ATOM 507 C ARG A 35 -0.866 18.019 -1.793 1.00 0.00 C ATOM 508 O ARG A 35 -1.847 17.294 -1.634 1.00 0.00 O ATOM 509 CB ARG A 35 0.194 19.195 0.135 1.00 0.00 C ATOM 510 CG ARG A 35 0.252 20.478 0.967 1.00 0.00 C ATOM 511 CD ARG A 35 1.007 21.580 0.221 1.00 0.00 C ATOM 512 NE ARG A 35 1.205 22.747 1.110 1.00 0.00 N ATOM 513 CZ ARG A 35 0.281 23.695 1.322 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.909 23.619 0.711 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.548 24.719 2.144 1.00 0.00 N ATOM 0 H ARG A 35 -2.676 19.049 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.362 20.114 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.134 18.366 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.192 18.946 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.760 20.815 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.742 20.277 1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.972 21.205 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.449 21.879 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 35 2.100 22.835 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.112 22.840 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.612 24.340 0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.454 24.777 2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.155 25.440 2.305 1.00 0.00 H new ATOM 529 N TYR A 36 0.156 17.735 -2.586 1.00 0.00 N ATOM 530 CA TYR A 36 0.189 16.501 -3.352 1.00 0.00 C ATOM 531 C TYR A 36 0.856 15.379 -2.554 1.00 0.00 C ATOM 532 O TYR A 36 2.079 15.250 -2.560 1.00 0.00 O ATOM 533 CB TYR A 36 1.032 16.798 -4.594 1.00 0.00 C ATOM 534 CG TYR A 36 1.002 15.688 -5.646 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.173 15.399 -6.311 1.00 0.00 C ATOM 536 CD2 TYR A 36 2.149 14.975 -5.931 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.201 14.354 -7.302 1.00 0.00 C ATOM 538 CE2 TYR A 36 2.121 13.930 -6.921 1.00 0.00 C ATOM 539 CZ TYR A 36 0.947 13.671 -7.558 1.00 0.00 C ATOM 540 OH TYR A 36 0.920 12.685 -8.493 1.00 0.00 O ATOM 0 H TYR A 36 0.968 18.339 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.821 16.176 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.679 17.724 -5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.064 16.967 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.071 15.956 -6.088 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.068 15.201 -5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.113 14.118 -7.830 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.012 13.365 -7.153 1.00 0.00 H new ATOM 0 HH TYR A 36 0.065 12.209 -8.441 1.00 0.00 H new ATOM 550 N PHE A 37 0.022 14.594 -1.887 1.00 0.00 N ATOM 551 CA PHE A 37 0.515 13.487 -1.086 1.00 0.00 C ATOM 552 C PHE A 37 0.908 12.302 -1.972 1.00 0.00 C ATOM 553 O PHE A 37 0.302 12.077 -3.018 1.00 0.00 O ATOM 554 CB PHE A 37 -0.627 13.060 -0.162 1.00 0.00 C ATOM 555 CG PHE A 37 -0.862 14.009 1.015 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.101 15.329 0.786 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.833 13.534 2.289 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.320 16.210 1.878 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.052 14.415 3.380 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.291 15.735 3.152 1.00 0.00 C ATOM 0 H PHE A 37 -0.992 14.703 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 37 1.397 13.797 -0.526 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.545 12.987 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.415 12.063 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.124 15.706 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.643 12.486 2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.510 17.258 1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.029 14.038 4.392 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.458 16.405 3.982 1.00 0.00 H new ATOM 570 N ILE A 38 1.921 11.577 -1.519 1.00 0.00 N ATOM 571 CA ILE A 38 2.402 10.421 -2.257 1.00 0.00 C ATOM 572 C ILE A 38 2.747 9.301 -1.274 1.00 0.00 C ATOM 573 O ILE A 38 3.757 9.374 -0.575 1.00 0.00 O ATOM 574 CB ILE A 38 3.562 10.816 -3.173 1.00 0.00 C ATOM 575 CG1 ILE A 38 3.120 11.861 -4.199 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.178 9.584 -3.839 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.328 12.486 -4.900 1.00 0.00 C ATOM 0 H ILE A 38 2.421 11.768 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 38 1.623 10.037 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 38 4.339 11.274 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.466 11.397 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.539 12.639 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.000 9.892 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.553 8.906 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.420 9.075 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.986 13.225 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.967 12.970 -4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.893 11.708 -5.414 1.00 0.00 H new ATOM 589 N LEU A 39 1.890 8.292 -1.251 1.00 0.00 N ATOM 590 CA LEU A 39 2.092 7.158 -0.365 1.00 0.00 C ATOM 591 C LEU A 39 3.011 6.141 -1.046 1.00 0.00 C ATOM 592 O LEU A 39 2.576 5.395 -1.922 1.00 0.00 O ATOM 593 CB LEU A 39 0.748 6.575 0.074 1.00 0.00 C ATOM 594 CG LEU A 39 0.784 5.150 0.630 1.00 0.00 C ATOM 595 CD1 LEU A 39 1.019 5.157 2.142 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.482 4.380 0.251 1.00 0.00 C ATOM 0 H LEU A 39 1.053 8.236 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 39 2.590 7.475 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.322 7.230 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.070 6.594 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 39 1.626 4.628 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.040 4.132 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.971 5.641 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.213 5.703 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.430 3.371 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.354 4.891 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.565 4.329 -0.835 1.00 0.00 H new ATOM 608 N ASP A 40 4.265 6.145 -0.618 1.00 0.00 N ATOM 609 CA ASP A 40 5.248 5.232 -1.176 1.00 0.00 C ATOM 610 C ASP A 40 5.516 4.105 -0.176 1.00 0.00 C ATOM 611 O ASP A 40 5.506 4.328 1.033 1.00 0.00 O ATOM 612 CB ASP A 40 6.573 5.948 -1.447 1.00 0.00 C ATOM 613 CG ASP A 40 7.554 5.180 -2.335 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.740 3.974 -2.063 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.095 5.815 -3.265 1.00 0.00 O ATOM 0 H ASP A 40 4.623 6.766 0.108 1.00 0.00 H new ATOM 0 HA ASP A 40 4.851 4.840 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.360 6.910 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.057 6.157 -0.493 1.00 0.00 H new ATOM 620 N THR A 41 5.751 2.919 -0.719 1.00 0.00 N ATOM 621 CA THR A 41 6.021 1.757 0.110 1.00 0.00 C ATOM 622 C THR A 41 7.522 1.630 0.377 1.00 0.00 C ATOM 623 O THR A 41 7.932 1.273 1.480 1.00 0.00 O ATOM 624 CB THR A 41 5.421 0.532 -0.583 1.00 0.00 C ATOM 625 OG1 THR A 41 6.450 0.093 -1.465 1.00 0.00 O ATOM 626 CG2 THR A 41 4.262 0.895 -1.513 1.00 0.00 C ATOM 0 H THR A 41 5.760 2.738 -1.723 1.00 0.00 H new ATOM 0 HA THR A 41 5.555 1.854 1.091 1.00 0.00 H new ATOM 0 HB THR A 41 5.074 -0.177 0.169 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.146 -0.700 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.873 -0.010 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.471 1.376 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.616 1.578 -2.286 1.00 0.00 H new ATOM 634 N GLN A 42 8.301 1.929 -0.652 1.00 0.00 N ATOM 635 CA GLN A 42 9.748 1.852 -0.543 1.00 0.00 C ATOM 636 C GLN A 42 10.233 2.662 0.661 1.00 0.00 C ATOM 637 O GLN A 42 10.782 2.103 1.609 1.00 0.00 O ATOM 638 CB GLN A 42 10.421 2.329 -1.831 1.00 0.00 C ATOM 639 CG GLN A 42 11.598 1.425 -2.202 1.00 0.00 C ATOM 640 CD GLN A 42 12.919 2.195 -2.146 1.00 0.00 C ATOM 641 OE1 GLN A 42 13.222 2.893 -1.192 1.00 0.00 O ATOM 642 NE2 GLN A 42 13.687 2.031 -3.220 1.00 0.00 N ATOM 0 H GLN A 42 7.957 2.225 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 42 10.026 0.809 -0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.694 2.338 -2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.771 3.354 -1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.638 0.576 -1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.450 1.022 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.374 1.432 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.589 2.504 -3.279 1.00 0.00 H new ATOM 651 N ALA A 43 10.011 3.966 0.585 1.00 0.00 N ATOM 652 CA ALA A 43 10.419 4.858 1.657 1.00 0.00 C ATOM 653 C ALA A 43 9.622 4.527 2.921 1.00 0.00 C ATOM 654 O ALA A 43 10.108 4.723 4.034 1.00 0.00 O ATOM 655 CB ALA A 43 10.230 6.310 1.212 1.00 0.00 C ATOM 0 H ALA A 43 9.554 4.426 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 43 11.475 4.723 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.536 6.980 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.839 6.502 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.181 6.484 0.974 1.00 0.00 H new ATOM 661 N ASN A 44 8.412 4.032 2.706 1.00 0.00 N ATOM 662 CA ASN A 44 7.544 3.672 3.814 1.00 0.00 C ATOM 663 C ASN A 44 7.218 4.925 4.629 1.00 0.00 C ATOM 664 O ASN A 44 7.125 4.867 5.854 1.00 0.00 O ATOM 665 CB ASN A 44 8.226 2.668 4.745 1.00 0.00 C ATOM 666 CG ASN A 44 7.212 2.020 5.690 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.375 2.352 6.968 1.00 0.00 O flip ATOM 668 ND2 ASN A 44 6.340 1.269 5.286 1.00 0.00 N flip ATOM 0 H ASN A 44 8.012 3.872 1.781 1.00 0.00 H new ATOM 0 HA ASN A 44 6.640 3.225 3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.722 1.898 4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.999 3.172 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.271 1.056 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.680 0.854 5.943 1.00 0.00 H new ATOM 675 N CYS A 45 7.053 6.030 3.915 1.00 0.00 N ATOM 676 CA CYS A 45 6.739 7.295 4.557 1.00 0.00 C ATOM 677 C CYS A 45 5.879 8.120 3.597 1.00 0.00 C ATOM 678 O CYS A 45 6.104 8.106 2.388 1.00 0.00 O ATOM 679 CB CYS A 45 8.005 8.045 4.977 1.00 0.00 C ATOM 680 SG CYS A 45 9.205 6.881 5.722 1.00 0.00 S ATOM 0 H CYS A 45 7.131 6.075 2.899 1.00 0.00 H new ATOM 0 HA CYS A 45 6.182 7.112 5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.451 8.535 4.112 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.753 8.828 5.692 1.00 0.00 H new ATOM 0 HG CYS A 45 9.711 6.126 4.793 1.00 0.00 H new ATOM 686 N LEU A 46 4.912 8.819 4.173 1.00 0.00 N ATOM 687 CA LEU A 46 4.017 9.648 3.383 1.00 0.00 C ATOM 688 C LEU A 46 4.676 11.005 3.130 1.00 0.00 C ATOM 689 O LEU A 46 5.048 11.704 4.071 1.00 0.00 O ATOM 690 CB LEU A 46 2.646 9.747 4.056 1.00 0.00 C ATOM 691 CG LEU A 46 1.509 10.286 3.185 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.009 11.392 2.253 1.00 0.00 C ATOM 693 CD2 LEU A 46 0.824 9.154 2.415 1.00 0.00 C ATOM 0 H LEU A 46 4.729 8.829 5.176 1.00 0.00 H new ATOM 0 HA LEU A 46 3.837 9.194 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.366 8.756 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.739 10.387 4.934 1.00 0.00 H new ATOM 0 HG LEU A 46 0.759 10.731 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.181 11.757 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.414 12.212 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.789 10.995 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.020 9.564 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.552 8.659 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.412 8.432 3.120 1.00 0.00 H new ATOM 705 N LEU A 47 4.801 11.337 1.853 1.00 0.00 N ATOM 706 CA LEU A 47 5.410 12.597 1.464 1.00 0.00 C ATOM 707 C LEU A 47 4.420 13.394 0.611 1.00 0.00 C ATOM 708 O LEU A 47 3.852 12.866 -0.344 1.00 0.00 O ATOM 709 CB LEU A 47 6.755 12.354 0.778 1.00 0.00 C ATOM 710 CG LEU A 47 7.684 11.348 1.461 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.480 10.548 0.429 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.595 12.043 2.475 1.00 0.00 C ATOM 0 H LEU A 47 4.491 10.755 1.075 1.00 0.00 H new ATOM 0 HA LEU A 47 5.632 13.200 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.565 12.011 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.278 13.307 0.700 1.00 0.00 H new ATOM 0 HG LEU A 47 7.070 10.638 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.132 9.841 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.793 10.004 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.084 11.228 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.245 11.305 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.204 12.790 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.986 12.530 3.237 1.00 0.00 H new ATOM 724 N TRP A 48 4.245 14.653 0.986 1.00 0.00 N ATOM 725 CA TRP A 48 3.334 15.528 0.268 1.00 0.00 C ATOM 726 C TRP A 48 4.098 16.799 -0.110 1.00 0.00 C ATOM 727 O TRP A 48 4.937 17.272 0.655 1.00 0.00 O ATOM 728 CB TRP A 48 2.077 15.809 1.094 1.00 0.00 C ATOM 729 CG TRP A 48 2.345 16.566 2.396 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.572 17.877 2.556 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.405 16.002 3.723 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.772 18.198 3.883 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.668 17.021 4.615 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.242 14.673 4.154 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.791 16.818 5.995 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.369 14.488 5.536 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.633 15.503 6.448 1.00 0.00 C ATOM 0 H TRP A 48 4.719 15.088 1.778 1.00 0.00 H new ATOM 0 HA TRP A 48 2.980 15.050 -0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.378 16.385 0.488 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.590 14.863 1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.595 18.593 1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.961 19.128 4.258 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.035 13.860 3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.997 17.633 6.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.254 13.485 5.921 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.716 15.278 7.501 1.00 0.00 H new ATOM 748 N TYR A 49 3.780 17.314 -1.288 1.00 0.00 N ATOM 749 CA TYR A 49 4.426 18.521 -1.776 1.00 0.00 C ATOM 750 C TYR A 49 3.403 19.483 -2.383 1.00 0.00 C ATOM 751 O TYR A 49 2.436 19.053 -3.009 1.00 0.00 O ATOM 752 CB TYR A 49 5.394 18.068 -2.870 1.00 0.00 C ATOM 753 CG TYR A 49 6.233 16.845 -2.492 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.697 15.579 -2.607 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.525 17.010 -2.036 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.487 14.428 -2.251 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.315 15.859 -1.680 1.00 0.00 C ATOM 758 CZ TYR A 49 7.757 14.625 -1.805 1.00 0.00 C ATOM 759 OH TYR A 49 8.502 13.539 -1.469 1.00 0.00 O ATOM 0 H TYR A 49 3.084 16.918 -1.919 1.00 0.00 H new ATOM 0 HA TYR A 49 4.929 19.043 -0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.826 17.841 -3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.063 18.893 -3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.686 15.451 -2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.944 18.001 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.080 13.431 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.327 15.973 -1.322 1.00 0.00 H new ATOM 0 HH TYR A 49 9.388 13.830 -1.168 1.00 0.00 H new ATOM 769 N MET A 50 3.651 20.768 -2.175 1.00 0.00 N ATOM 770 CA MET A 50 2.764 21.795 -2.694 1.00 0.00 C ATOM 771 C MET A 50 2.267 21.433 -4.095 1.00 0.00 C ATOM 772 O MET A 50 1.111 21.687 -4.432 1.00 0.00 O ATOM 773 CB MET A 50 3.505 23.132 -2.745 1.00 0.00 C ATOM 774 CG MET A 50 3.539 23.794 -1.365 1.00 0.00 C ATOM 775 SD MET A 50 2.970 25.481 -1.483 1.00 0.00 S ATOM 776 CE MET A 50 1.251 25.260 -1.054 1.00 0.00 C ATOM 0 H MET A 50 4.454 21.121 -1.654 1.00 0.00 H new ATOM 0 HA MET A 50 1.902 21.873 -2.032 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.523 22.974 -3.102 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.016 23.796 -3.459 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.910 23.237 -0.670 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.553 23.771 -0.966 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.626 25.796 -1.768 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.003 24.199 -1.080 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.073 25.650 -0.052 1.00 0.00 H new ATOM 786 N ASP A 51 3.164 20.847 -4.873 1.00 0.00 N ATOM 787 CA ASP A 51 2.831 20.448 -6.230 1.00 0.00 C ATOM 788 C ASP A 51 3.629 19.196 -6.600 1.00 0.00 C ATOM 789 O ASP A 51 4.664 18.915 -5.997 1.00 0.00 O ATOM 790 CB ASP A 51 3.187 21.549 -7.231 1.00 0.00 C ATOM 791 CG ASP A 51 2.010 22.411 -7.690 1.00 0.00 C ATOM 792 OD1 ASP A 51 1.682 23.364 -6.951 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.463 22.098 -8.770 1.00 0.00 O ATOM 0 H ASP A 51 4.122 20.639 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 51 1.759 20.256 -6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.940 22.198 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.644 21.089 -8.107 1.00 0.00 H new ATOM 936 N VAL A 63 7.216 19.545 1.702 1.00 0.00 N ATOM 937 CA VAL A 63 6.600 20.520 2.587 1.00 0.00 C ATOM 938 C VAL A 63 6.173 19.829 3.883 1.00 0.00 C ATOM 939 O VAL A 63 5.896 20.491 4.882 1.00 0.00 O ATOM 940 CB VAL A 63 5.442 21.218 1.871 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.295 20.241 1.603 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.955 22.429 2.669 1.00 0.00 C ATOM 0 HA VAL A 63 7.315 21.298 2.855 1.00 0.00 H new ATOM 0 HB VAL A 63 5.809 21.576 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.485 20.762 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.652 19.424 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.930 19.840 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.132 22.907 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.613 22.104 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.773 23.140 2.786 1.00 0.00 H new ATOM 952 N GLY A 64 6.133 18.506 3.825 1.00 0.00 N ATOM 953 CA GLY A 64 5.744 17.717 4.981 1.00 0.00 C ATOM 954 C GLY A 64 5.796 16.221 4.667 1.00 0.00 C ATOM 955 O GLY A 64 5.411 15.797 3.579 1.00 0.00 O ATOM 0 H GLY A 64 6.364 17.960 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.407 17.940 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.736 17.992 5.291 1.00 0.00 H new ATOM 959 N SER A 65 6.275 15.461 5.641 1.00 0.00 N ATOM 960 CA SER A 65 6.383 14.020 5.482 1.00 0.00 C ATOM 961 C SER A 65 5.699 13.312 6.653 1.00 0.00 C ATOM 962 O SER A 65 5.326 13.950 7.637 1.00 0.00 O ATOM 963 CB SER A 65 7.846 13.585 5.380 1.00 0.00 C ATOM 964 OG SER A 65 8.651 14.178 6.395 1.00 0.00 O ATOM 0 H SER A 65 6.593 15.816 6.543 1.00 0.00 H new ATOM 0 HA SER A 65 5.884 13.740 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.908 12.499 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.238 13.858 4.400 1.00 0.00 H new ATOM 0 HG SER A 65 9.578 13.874 6.297 1.00 0.00 H new ATOM 970 N LEU A 66 5.554 12.003 6.509 1.00 0.00 N ATOM 971 CA LEU A 66 4.921 11.202 7.542 1.00 0.00 C ATOM 972 C LEU A 66 5.531 9.798 7.538 1.00 0.00 C ATOM 973 O LEU A 66 5.739 9.211 6.478 1.00 0.00 O ATOM 974 CB LEU A 66 3.400 11.212 7.372 1.00 0.00 C ATOM 975 CG LEU A 66 2.602 11.842 8.515 1.00 0.00 C ATOM 976 CD1 LEU A 66 1.127 11.990 8.137 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.785 11.052 9.813 1.00 0.00 C ATOM 0 H LEU A 66 5.864 11.477 5.692 1.00 0.00 H new ATOM 0 HA LEU A 66 5.111 11.630 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.161 11.744 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.062 10.184 7.243 1.00 0.00 H new ATOM 0 HG LEU A 66 2.992 12.845 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.582 12.440 8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.039 12.627 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.707 11.008 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.207 11.521 10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.439 10.029 9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.840 11.043 10.088 1.00 0.00 H new ATOM 989 N GLN A 67 5.799 9.301 8.737 1.00 0.00 N ATOM 990 CA GLN A 67 6.381 7.978 8.885 1.00 0.00 C ATOM 991 C GLN A 67 5.279 6.928 9.041 1.00 0.00 C ATOM 992 O GLN A 67 4.500 6.978 9.992 1.00 0.00 O ATOM 993 CB GLN A 67 7.351 7.935 10.067 1.00 0.00 C ATOM 994 CG GLN A 67 8.175 9.222 10.147 1.00 0.00 C ATOM 995 CD GLN A 67 8.462 9.778 8.751 1.00 0.00 C ATOM 996 OE1 GLN A 67 7.968 10.822 8.357 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.284 9.024 8.027 1.00 0.00 N ATOM 0 H GLN A 67 5.624 9.791 9.614 1.00 0.00 H new ATOM 0 HA GLN A 67 6.949 7.749 7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.794 7.797 10.994 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.017 7.078 9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.638 9.966 10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.114 9.025 10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.662 8.161 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.536 9.309 7.081 1.00 0.00 H new ATOM 1006 N LEU A 68 5.248 6.003 8.094 1.00 0.00 N ATOM 1007 CA LEU A 68 4.255 4.943 8.115 1.00 0.00 C ATOM 1008 C LEU A 68 4.341 4.195 9.446 1.00 0.00 C ATOM 1009 O LEU A 68 3.365 3.591 9.888 1.00 0.00 O ATOM 1010 CB LEU A 68 4.410 4.039 6.890 1.00 0.00 C ATOM 1011 CG LEU A 68 4.170 4.702 5.532 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.285 3.683 4.397 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.827 5.435 5.510 1.00 0.00 C ATOM 0 H LEU A 68 5.895 5.965 7.306 1.00 0.00 H new ATOM 0 HA LEU A 68 3.251 5.361 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.417 3.623 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.719 3.202 6.991 1.00 0.00 H new ATOM 0 HG LEU A 68 4.948 5.449 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.110 4.180 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.283 3.245 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.544 2.896 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.681 5.897 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.022 4.725 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.820 6.205 6.281 1.00 0.00 H new ATOM 1025 N THR A 69 5.520 4.258 10.049 1.00 0.00 N ATOM 1026 CA THR A 69 5.747 3.594 11.321 1.00 0.00 C ATOM 1027 C THR A 69 4.810 4.159 12.392 1.00 0.00 C ATOM 1028 O THR A 69 4.458 3.463 13.342 1.00 0.00 O ATOM 1029 CB THR A 69 7.229 3.739 11.673 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.464 5.143 11.611 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.146 3.160 10.594 1.00 0.00 C ATOM 0 H THR A 69 6.328 4.759 9.680 1.00 0.00 H new ATOM 0 HA THR A 69 5.516 2.531 11.259 1.00 0.00 H new ATOM 0 HB THR A 69 7.427 3.242 12.623 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.060 5.577 12.391 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.186 3.289 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.934 2.098 10.467 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.973 3.680 9.652 1.00 0.00 H new ATOM 1039 N TYR A 70 4.434 5.415 12.201 1.00 0.00 N ATOM 1040 CA TYR A 70 3.545 6.080 13.138 1.00 0.00 C ATOM 1041 C TYR A 70 2.098 5.627 12.937 1.00 0.00 C ATOM 1042 O TYR A 70 1.420 5.260 13.895 1.00 0.00 O ATOM 1043 CB TYR A 70 3.648 7.575 12.827 1.00 0.00 C ATOM 1044 CG TYR A 70 4.998 8.195 13.191 1.00 0.00 C ATOM 1045 CD1 TYR A 70 6.037 7.389 13.609 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.177 9.561 13.101 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.308 7.973 13.951 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.448 10.145 13.443 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.451 9.322 13.851 1.00 0.00 C ATOM 1050 OH TYR A 70 8.651 9.873 14.175 1.00 0.00 O ATOM 0 H TYR A 70 4.729 5.989 11.411 1.00 0.00 H new ATOM 0 HA TYR A 70 3.825 5.846 14.165 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.465 7.728 11.763 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.861 8.103 13.365 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.897 6.320 13.680 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.364 10.192 12.774 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.130 7.354 14.280 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.601 11.212 13.377 1.00 0.00 H new ATOM 0 HH TYR A 70 8.608 10.845 14.055 1.00 0.00 H new ATOM 1060 N ILE A 71 1.667 5.669 11.685 1.00 0.00 N ATOM 1061 CA ILE A 71 0.312 5.268 11.346 1.00 0.00 C ATOM 1062 C ILE A 71 0.060 3.850 11.864 1.00 0.00 C ATOM 1063 O ILE A 71 0.909 2.972 11.719 1.00 0.00 O ATOM 1064 CB ILE A 71 0.066 5.426 9.844 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.181 6.892 9.421 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.278 4.817 9.442 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.461 7.132 8.619 1.00 0.00 C ATOM 0 H ILE A 71 2.232 5.975 10.893 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.412 5.920 11.835 1.00 0.00 H new ATOM 0 HB ILE A 71 0.841 4.876 9.311 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.686 7.170 8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.176 7.531 10.304 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.428 4.943 8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.284 3.755 9.687 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.081 5.319 9.982 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.518 8.182 8.331 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.327 6.876 9.230 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.452 6.510 7.724 1.00 0.00 H new ATOM 1079 N SER A 72 -1.111 3.671 12.458 1.00 0.00 N ATOM 1080 CA SER A 72 -1.485 2.376 12.999 1.00 0.00 C ATOM 1081 C SER A 72 -2.712 1.835 12.261 1.00 0.00 C ATOM 1082 O SER A 72 -2.842 0.628 12.068 1.00 0.00 O ATOM 1083 CB SER A 72 -1.766 2.466 14.500 1.00 0.00 C ATOM 1084 OG SER A 72 -2.774 3.428 14.798 1.00 0.00 O ATOM 0 H SER A 72 -1.813 4.402 12.576 1.00 0.00 H new ATOM 0 HA SER A 72 -0.650 1.691 12.854 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.077 1.489 14.870 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.848 2.728 15.026 1.00 0.00 H new ATOM 0 HG SER A 72 -2.925 3.454 15.766 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.580 2.756 11.869 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.792 2.387 11.157 1.00 0.00 C ATOM 1092 C LYS A 73 -5.320 3.604 10.394 1.00 0.00 C ATOM 1093 O LYS A 73 -5.139 4.740 10.828 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.812 1.774 12.118 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.223 1.831 11.529 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.076 0.666 12.034 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.675 0.979 13.406 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.429 -0.138 14.346 1.00 0.00 N ATOM 0 H LYS A 73 -3.468 3.757 12.031 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.580 1.614 10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.543 0.739 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.789 2.308 13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.695 2.776 11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.168 1.801 10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.876 0.461 11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.466 -0.235 12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.238 1.896 13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.747 1.152 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.842 0.091 15.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.867 -1.006 13.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.405 -0.285 14.450 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.962 3.323 9.269 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.517 4.381 8.441 1.00 0.00 C ATOM 1114 C VAL A 74 -7.981 4.063 8.130 1.00 0.00 C ATOM 1115 O VAL A 74 -8.271 3.280 7.226 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.664 4.563 7.184 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.141 5.767 6.368 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.182 4.695 7.541 1.00 0.00 C ATOM 0 H VAL A 74 -6.110 2.379 8.912 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.497 5.333 8.972 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.781 3.672 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.518 5.874 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.178 5.615 6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.067 6.670 6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.598 4.823 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.039 5.560 8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.851 3.795 8.060 1.00 0.00 H new ATOM 1128 N SER A 75 -8.864 4.686 8.895 1.00 0.00 N ATOM 1129 CA SER A 75 -10.291 4.479 8.712 1.00 0.00 C ATOM 1130 C SER A 75 -10.943 5.762 8.193 1.00 0.00 C ATOM 1131 O SER A 75 -10.299 6.808 8.128 1.00 0.00 O ATOM 1132 CB SER A 75 -10.955 4.036 10.017 1.00 0.00 C ATOM 1133 OG SER A 75 -12.375 3.985 9.903 1.00 0.00 O ATOM 0 H SER A 75 -8.620 5.335 9.643 1.00 0.00 H new ATOM 0 HA SER A 75 -10.430 3.685 7.978 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.578 3.053 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.680 4.725 10.816 1.00 0.00 H new ATOM 0 HG SER A 75 -12.762 3.696 10.756 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.214 5.640 7.838 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.960 6.777 7.327 1.00 0.00 C ATOM 1141 C ILE A 76 -13.467 7.618 8.500 1.00 0.00 C ATOM 1142 O ILE A 76 -14.077 7.090 9.429 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.069 6.309 6.382 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.516 5.363 5.314 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.804 7.501 5.766 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.253 5.939 4.672 1.00 0.00 C ATOM 0 H ILE A 76 -12.746 4.771 7.894 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.313 7.419 6.730 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.799 5.747 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.291 4.395 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.272 5.192 4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.587 7.140 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.251 8.102 6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.099 8.111 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.881 5.247 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.486 6.895 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.491 6.086 5.437 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.196 8.912 8.420 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.617 9.831 9.464 1.00 0.00 C ATOM 1160 C ALA A 77 -15.142 9.944 9.454 1.00 0.00 C ATOM 1161 O ALA A 77 -15.744 10.184 8.408 1.00 0.00 O ATOM 1162 CB ALA A 77 -12.931 11.184 9.261 1.00 0.00 C ATOM 0 H ALA A 77 -12.690 9.346 7.648 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.320 9.459 10.445 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.247 11.873 10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.850 11.054 9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.207 11.590 8.288 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.108 12.095 1.545 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.930 11.271 1.331 1.00 0.00 C ATOM 1323 C PHE A 87 -13.735 11.808 2.122 1.00 0.00 C ATOM 1324 O PHE A 87 -12.845 12.439 1.555 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.607 11.332 -0.163 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.825 11.592 -1.053 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.720 10.595 -1.287 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.011 12.819 -1.609 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.850 10.836 -2.113 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.141 13.059 -2.435 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.037 12.063 -2.669 1.00 0.00 C ATOM 0 HA PHE A 87 -15.123 10.251 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.871 12.118 -0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.145 10.392 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.572 9.621 -0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.300 13.610 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.561 10.045 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.289 14.033 -2.878 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.897 12.246 -3.296 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.754 11.537 3.418 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.683 11.984 4.292 1.00 0.00 C ATOM 1343 C CYS A 88 -12.237 10.800 5.152 1.00 0.00 C ATOM 1344 O CYS A 88 -13.069 10.088 5.713 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.111 13.180 5.146 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.422 14.725 4.449 1.00 0.00 S ATOM 0 H CYS A 88 -14.495 11.013 3.885 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.843 12.332 3.691 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.199 13.241 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.765 13.048 6.171 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.131 14.732 4.602 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.926 10.625 5.228 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.361 9.539 6.010 1.00 0.00 C ATOM 1354 C PHE A 89 -9.423 10.074 7.094 1.00 0.00 C ATOM 1355 O PHE A 89 -8.750 11.084 6.895 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.558 8.664 5.045 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.286 9.328 4.515 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.186 9.422 5.310 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.254 9.823 3.249 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.005 10.039 4.817 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.073 10.439 2.756 1.00 0.00 C ATOM 1362 CZ PHE A 89 -5.974 10.534 3.551 1.00 0.00 C ATOM 0 H PHE A 89 -10.239 11.217 4.761 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.158 8.980 6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.288 7.737 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.193 8.394 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.211 9.028 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.127 9.748 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.132 10.115 5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.048 10.832 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.076 11.003 3.177 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.409 9.373 8.219 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.566 9.765 9.335 1.00 0.00 C ATOM 1374 C VAL A 90 -7.417 8.764 9.477 1.00 0.00 C ATOM 1375 O VAL A 90 -7.645 7.557 9.542 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.407 9.894 10.606 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.572 9.579 11.850 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.038 11.284 10.707 1.00 0.00 C ATOM 0 H VAL A 90 -9.969 8.536 8.381 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.123 10.744 9.154 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.214 9.163 10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.193 9.678 12.740 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.192 8.560 11.784 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.735 10.275 11.912 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.631 11.349 11.620 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.253 12.039 10.730 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.681 11.455 9.844 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.207 9.303 9.520 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.023 8.472 9.652 1.00 0.00 C ATOM 1390 C ILE A 91 -4.702 8.281 11.136 1.00 0.00 C ATOM 1391 O ILE A 91 -4.201 9.195 11.789 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.864 9.058 8.843 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.000 8.711 7.359 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.516 8.612 9.415 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.047 9.553 6.509 1.00 0.00 C ATOM 0 H ILE A 91 -6.022 10.305 9.466 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.204 7.482 9.234 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.905 10.144 8.924 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.788 7.652 7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.027 8.880 7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.709 9.042 8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.429 8.951 10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.449 7.524 9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.164 9.286 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.277 10.610 6.643 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.019 9.364 6.819 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.004 7.088 11.626 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.755 6.766 13.020 1.00 0.00 C ATOM 1409 C ASN A 92 -3.280 6.401 13.199 1.00 0.00 C ATOM 1410 O ASN A 92 -2.765 5.526 12.505 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.595 5.568 13.468 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.454 5.925 14.684 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.964 6.336 15.723 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.758 5.744 14.496 1.00 0.00 N ATOM 0 H ASN A 92 -5.419 6.332 11.082 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.020 7.637 13.619 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.236 5.242 12.649 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.940 4.732 13.713 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.415 5.953 15.247 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.101 5.397 13.600 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.642 7.090 14.133 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.236 6.850 14.412 1.00 0.00 C ATOM 1423 C ALA A 93 -1.039 6.697 15.922 1.00 0.00 C ATOM 1424 O ALA A 93 -1.892 6.138 16.609 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.398 7.988 13.827 1.00 0.00 C ATOM 0 H ALA A 93 -3.073 7.815 14.707 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.904 5.925 13.941 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.656 7.808 14.036 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.551 8.036 12.749 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.701 8.933 14.278 1.00 0.00 H new ATOM 1431 N LEU A 94 0.091 7.202 16.393 1.00 0.00 N ATOM 1432 CA LEU A 94 0.411 7.128 17.808 1.00 0.00 C ATOM 1433 C LEU A 94 -0.859 7.368 18.627 1.00 0.00 C ATOM 1434 O LEU A 94 -1.455 6.424 19.144 1.00 0.00 O ATOM 1435 CB LEU A 94 1.553 8.088 18.150 1.00 0.00 C ATOM 1436 CG LEU A 94 2.640 8.244 17.085 1.00 0.00 C ATOM 1437 CD1 LEU A 94 2.910 6.914 16.378 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.283 9.356 16.096 1.00 0.00 C ATOM 0 H LEU A 94 0.797 7.664 15.820 1.00 0.00 H new ATOM 0 HA LEU A 94 0.774 6.133 18.065 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.127 9.071 18.352 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.023 7.748 19.073 1.00 0.00 H new ATOM 0 HG LEU A 94 3.565 8.539 17.581 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.687 7.053 15.626 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.240 6.174 17.108 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.996 6.566 15.896 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.072 9.446 15.349 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.342 9.115 15.602 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.180 10.300 16.631 1.00 0.00 H new ATOM 1450 N SER A 95 -1.235 8.635 18.720 1.00 0.00 N ATOM 1451 CA SER A 95 -2.423 9.010 19.467 1.00 0.00 C ATOM 1452 C SER A 95 -3.062 10.253 18.844 1.00 0.00 C ATOM 1453 O SER A 95 -3.825 10.959 19.502 1.00 0.00 O ATOM 1454 CB SER A 95 -2.091 9.264 20.938 1.00 0.00 C ATOM 1455 OG SER A 95 -1.675 10.608 21.167 1.00 0.00 O ATOM 0 H SER A 95 -0.738 9.415 18.290 1.00 0.00 H new ATOM 0 HA SER A 95 -3.132 8.183 19.420 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.966 9.046 21.550 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.302 8.581 21.255 1.00 0.00 H new ATOM 0 HG SER A 95 -1.474 10.731 22.118 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.728 10.482 17.583 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.260 11.627 16.864 1.00 0.00 C ATOM 1463 C GLN A 96 -4.090 11.163 15.666 1.00 0.00 C ATOM 1464 O GLN A 96 -3.919 10.044 15.183 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.136 12.567 16.422 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.630 13.550 15.359 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.542 14.565 15.003 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.375 14.398 15.316 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.989 15.625 14.334 1.00 0.00 N ATOM 0 H GLN A 96 -2.095 9.894 17.040 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.911 12.184 17.538 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.757 13.117 17.283 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.305 11.984 16.025 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.929 13.004 14.465 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.514 14.072 15.724 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.980 15.702 14.104 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.341 16.360 14.051 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.972 12.046 15.220 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.829 11.741 14.087 1.00 0.00 C ATOM 1480 C ARG A 97 -5.747 12.857 13.043 1.00 0.00 C ATOM 1481 O ARG A 97 -6.119 13.996 13.318 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.284 11.570 14.528 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.845 12.879 15.085 1.00 0.00 C ATOM 1484 CD ARG A 97 -9.041 12.617 16.003 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.720 13.039 17.385 1.00 0.00 N ATOM 1486 CZ ARG A 97 -8.668 14.316 17.788 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -8.916 15.303 16.917 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -8.369 14.605 19.061 1.00 0.00 N ATOM 0 H ARG A 97 -5.111 12.973 15.623 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.481 10.805 13.650 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.888 11.242 13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.349 10.790 15.287 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.067 13.406 15.637 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.148 13.528 14.263 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.914 13.161 15.641 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.297 11.558 15.988 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.526 12.312 18.074 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.144 15.082 15.948 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.877 16.275 17.223 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.181 13.853 19.724 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.329 15.577 19.368 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.257 12.489 11.868 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.122 13.445 10.782 1.00 0.00 C ATOM 1504 C TYR A 98 -6.344 13.406 9.862 1.00 0.00 C ATOM 1505 O TYR A 98 -6.676 12.359 9.310 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.887 13.011 9.990 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.571 13.168 10.753 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.356 12.453 11.913 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.598 14.026 10.281 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -1.117 12.601 12.632 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.359 14.174 11.000 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.180 13.454 12.140 1.00 0.00 C ATOM 1513 OH TYR A 98 0.991 13.594 12.818 1.00 0.00 O ATOM 0 H TYR A 98 -4.949 11.543 11.644 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.034 14.459 11.172 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.004 11.967 9.698 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.834 13.595 9.071 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.117 11.782 12.282 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.766 14.586 9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.936 12.047 13.541 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.411 14.842 10.642 1.00 0.00 H new ATOM 0 HH TYR A 98 0.804 13.860 13.743 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.979 14.561 9.725 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.156 14.672 8.881 1.00 0.00 C ATOM 1525 C PHE A 99 -7.793 15.231 7.504 1.00 0.00 C ATOM 1526 O PHE A 99 -7.524 16.423 7.365 1.00 0.00 O ATOM 1527 CB PHE A 99 -9.115 15.642 9.576 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.754 15.081 10.848 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.600 14.018 10.772 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.477 15.645 12.054 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.193 13.498 11.952 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.070 15.124 13.234 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.916 14.062 13.158 1.00 0.00 C ATOM 0 H PHE A 99 -6.700 15.428 10.185 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.605 13.689 8.737 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.574 16.555 9.826 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.904 15.920 8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.820 13.570 9.814 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.806 16.489 12.114 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.864 12.654 11.892 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.849 15.571 14.192 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.368 13.666 14.056 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.797 14.343 6.521 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.472 14.733 5.159 1.00 0.00 C ATOM 1545 C LEU A 100 -8.722 14.612 4.286 1.00 0.00 C ATOM 1546 O LEU A 100 -9.631 13.845 4.599 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.279 13.927 4.642 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.059 13.867 5.563 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.256 12.827 6.667 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.779 13.618 4.762 1.00 0.00 C ATOM 0 H LEU A 100 -8.020 13.355 6.640 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.160 15.777 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.612 12.908 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.968 14.349 3.687 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.951 14.836 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.374 12.805 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.130 13.090 7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.404 11.844 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.927 13.580 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.862 12.671 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.636 14.426 4.045 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.728 15.381 3.207 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.852 15.369 2.286 1.00 0.00 C ATOM 1564 C GLN A 101 -9.386 14.964 0.886 1.00 0.00 C ATOM 1565 O GLN A 101 -8.355 15.435 0.410 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.552 16.729 2.258 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.920 16.628 1.580 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.467 18.015 1.239 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.879 18.775 0.487 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.623 18.302 1.831 1.00 0.00 N ATOM 0 H GLN A 101 -7.973 16.016 2.950 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.575 14.632 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.673 17.101 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.931 17.451 1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.836 16.033 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.618 16.109 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.062 17.620 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.070 19.204 1.666 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.169 14.094 0.265 1.00 0.00 N ATOM 1580 CA ALA A 102 -9.850 13.620 -1.071 1.00 0.00 C ATOM 1581 C ALA A 102 -10.582 14.482 -2.101 1.00 0.00 C ATOM 1582 O ALA A 102 -11.104 15.545 -1.769 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.213 12.138 -1.187 1.00 0.00 C ATOM 0 H ALA A 102 -11.024 13.705 0.663 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.781 13.710 -1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.974 11.782 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.645 11.566 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.279 12.009 -1.001 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.597 13.991 -3.332 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.256 14.704 -4.414 1.00 0.00 C ATOM 1591 C ASN A 103 -12.613 14.055 -4.694 1.00 0.00 C ATOM 1592 O ASN A 103 -13.630 14.742 -4.770 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.428 14.642 -5.699 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.621 15.928 -5.893 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -9.985 16.812 -6.651 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.507 15.982 -5.168 1.00 0.00 N ATOM 0 H ASN A 103 -10.164 13.109 -3.604 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.373 15.744 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.753 13.787 -5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.087 14.489 -6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.899 16.799 -5.227 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.261 15.207 -4.553 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.584 12.738 -4.841 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.799 11.988 -5.111 1.00 0.00 C ATOM 1605 C ASP A 104 -13.973 10.905 -4.044 1.00 0.00 C ATOM 1606 O ASP A 104 -13.481 11.046 -2.926 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.730 11.301 -6.476 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.018 12.102 -7.568 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -13.333 13.306 -7.685 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.175 11.492 -8.261 1.00 0.00 O ATOM 0 H ASP A 104 -11.738 12.171 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.636 12.686 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.222 10.344 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.745 11.084 -6.809 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.674 9.849 -4.428 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.918 8.742 -3.519 1.00 0.00 C ATOM 1617 C GLN A 105 -13.907 7.621 -3.763 1.00 0.00 C ATOM 1618 O GLN A 105 -13.652 6.806 -2.878 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.352 8.226 -3.657 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.482 6.810 -3.092 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.903 6.275 -3.276 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.467 6.297 -4.358 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.449 5.793 -2.163 1.00 0.00 N ATOM 0 H GLN A 105 -15.081 9.736 -5.356 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.792 9.102 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.035 8.895 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.645 8.231 -4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.773 6.149 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.225 6.812 -2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.922 5.805 -1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.395 5.412 -2.183 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.357 7.615 -4.969 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.378 6.608 -5.340 1.00 0.00 C ATOM 1634 C LYS A 106 -11.048 6.915 -4.650 1.00 0.00 C ATOM 1635 O LYS A 106 -10.578 6.133 -3.824 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.270 6.501 -6.863 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.136 5.558 -7.268 1.00 0.00 C ATOM 1638 CD LYS A 106 -11.443 4.871 -8.600 1.00 0.00 C ATOM 1639 CE LYS A 106 -10.380 3.822 -8.934 1.00 0.00 C ATOM 1640 NZ LYS A 106 -10.684 3.169 -10.227 1.00 0.00 N ATOM 0 H LYS A 106 -13.571 8.292 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.696 5.624 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.213 6.139 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.096 7.489 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.204 6.118 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.989 4.806 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.424 4.398 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.487 5.615 -9.395 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.398 4.293 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.338 3.073 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.953 2.460 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.612 2.703 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.701 3.884 -10.982 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.479 8.055 -5.013 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.212 8.475 -4.438 1.00 0.00 C ATOM 1656 C ASP A 107 -9.280 8.346 -2.915 1.00 0.00 C ATOM 1657 O ASP A 107 -8.294 7.985 -2.274 1.00 0.00 O ATOM 1658 CB ASP A 107 -8.912 9.937 -4.776 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.449 10.236 -5.111 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.891 9.481 -5.937 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -6.923 11.212 -4.535 1.00 0.00 O ATOM 0 H ASP A 107 -10.872 8.701 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.427 7.841 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.531 10.233 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.210 10.558 -3.931 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.454 8.649 -2.379 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.663 8.572 -0.943 1.00 0.00 C ATOM 1668 C LEU A 108 -10.370 7.148 -0.466 1.00 0.00 C ATOM 1669 O LEU A 108 -9.402 6.920 0.260 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.065 9.066 -0.579 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.489 8.866 0.877 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.169 7.509 1.069 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.302 9.050 1.824 1.00 0.00 C ATOM 0 H LEU A 108 -11.270 8.948 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.971 9.233 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.126 10.129 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.786 8.558 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.223 9.632 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.460 7.392 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.055 7.453 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.477 6.713 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.631 8.902 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.528 8.322 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.900 10.057 1.713 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.222 6.228 -0.891 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.066 4.833 -0.516 1.00 0.00 C ATOM 1687 C LYS A 109 -9.644 4.375 -0.849 1.00 0.00 C ATOM 1688 O LYS A 109 -8.910 3.928 0.031 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.155 3.977 -1.166 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.334 3.773 -0.213 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.625 2.285 -0.012 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.365 1.703 -1.218 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.277 0.618 -0.793 1.00 0.00 N ATOM 0 H LYS A 109 -12.023 6.421 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.197 4.712 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.502 4.457 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.741 3.010 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.114 4.237 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.219 4.270 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.690 1.745 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.224 2.146 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.933 2.488 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.647 1.319 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.771 0.234 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.728 -0.138 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.974 0.994 -0.119 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.298 4.503 -2.121 1.00 0.00 N ATOM 1708 CA ASP A 110 -7.978 4.109 -2.581 1.00 0.00 C ATOM 1709 C ASP A 110 -6.930 4.567 -1.565 1.00 0.00 C ATOM 1710 O ASP A 110 -6.186 3.751 -1.024 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.647 4.758 -3.927 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.019 3.820 -4.960 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -6.199 2.977 -4.537 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.375 3.966 -6.149 1.00 0.00 O ATOM 0 H ASP A 110 -9.910 4.874 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.970 3.025 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.562 5.176 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.966 5.591 -3.754 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.906 5.872 -1.335 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.962 6.449 -0.393 1.00 0.00 C ATOM 1721 C TRP A 111 -5.994 5.606 0.884 1.00 0.00 C ATOM 1722 O TRP A 111 -4.994 4.991 1.251 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.271 7.926 -0.143 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.487 8.887 -1.039 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.962 9.693 -1.998 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -4.062 9.110 -1.021 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.951 10.417 -2.597 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.759 10.051 -1.984 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.061 8.536 -0.217 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.457 10.500 -2.233 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.765 8.996 -0.479 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.444 9.942 -1.445 1.00 0.00 C ATOM 0 H TRP A 111 -7.525 6.546 -1.785 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.950 6.428 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.337 8.094 -0.293 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.055 8.160 0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.005 9.767 -2.268 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.059 11.096 -3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.275 7.799 0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.245 11.238 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.958 8.587 0.111 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.417 10.245 -1.587 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.154 5.606 1.525 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.329 4.849 2.753 1.00 0.00 C ATOM 1745 C VAL A 112 -6.737 3.450 2.574 1.00 0.00 C ATOM 1746 O VAL A 112 -5.768 3.091 3.242 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.807 4.827 3.148 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.010 4.087 4.472 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.377 6.245 3.219 1.00 0.00 C ATOM 0 H VAL A 112 -7.981 6.118 1.217 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.794 5.325 3.575 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.352 4.286 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.069 4.086 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.660 3.060 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.446 4.588 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.429 6.201 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.826 6.822 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.283 6.724 2.244 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.344 2.697 1.669 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.890 1.345 1.393 1.00 0.00 C ATOM 1761 C GLU A 113 -5.364 1.311 1.277 1.00 0.00 C ATOM 1762 O GLU A 113 -4.708 0.491 1.917 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.548 0.792 0.128 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.063 1.004 0.160 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.805 -0.291 -0.175 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.658 -0.747 -1.330 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.503 -0.797 0.731 1.00 0.00 O ATOM 0 H GLU A 113 -8.147 2.998 1.117 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.187 0.707 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.127 1.283 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.328 -0.271 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.364 1.355 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.340 1.781 -0.553 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.845 2.212 0.457 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.410 2.296 0.249 1.00 0.00 C ATOM 1776 C ALA A 114 -2.719 2.563 1.588 1.00 0.00 C ATOM 1777 O ALA A 114 -1.758 1.882 1.942 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.106 3.378 -0.790 1.00 0.00 C ATOM 0 H ALA A 114 -5.393 2.891 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.023 1.354 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.029 3.441 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.595 3.126 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.478 4.339 -0.434 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.237 3.556 2.296 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.682 3.922 3.588 1.00 0.00 C ATOM 1786 C LEU A 115 -2.951 2.797 4.590 1.00 0.00 C ATOM 1787 O LEU A 115 -2.391 2.790 5.686 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.217 5.284 4.035 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.013 6.440 3.053 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.952 7.604 3.374 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.547 6.877 3.019 1.00 0.00 C ATOM 0 H LEU A 115 -4.035 4.118 1.999 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.600 4.037 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.284 5.186 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.741 5.547 4.979 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.267 6.089 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.787 8.412 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.986 7.267 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.753 7.964 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.429 7.700 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.242 7.204 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.925 6.039 2.706 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.807 1.874 4.179 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.157 0.747 5.027 1.00 0.00 C ATOM 1805 C ASN A 116 -3.259 -0.443 4.683 1.00 0.00 C ATOM 1806 O ASN A 116 -3.125 -1.375 5.475 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.610 0.322 4.807 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.522 0.908 5.887 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.398 0.618 7.066 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.443 1.746 5.420 1.00 0.00 N ATOM 0 H ASN A 116 -4.269 1.883 3.270 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.024 1.052 6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -5.945 0.653 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.680 -0.766 4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -8.101 2.190 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.492 1.945 4.421 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.666 -0.373 3.500 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.784 -1.433 3.041 1.00 0.00 C ATOM 1819 C GLN A 117 -0.323 -1.050 3.282 1.00 0.00 C ATOM 1820 O GLN A 117 0.395 -1.746 3.999 1.00 0.00 O ATOM 1821 CB GLN A 117 -2.031 -1.750 1.564 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.357 -2.489 1.377 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.221 -3.605 0.338 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.164 -3.371 -0.858 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -3.173 -4.827 0.860 1.00 0.00 N ATOM 0 H GLN A 117 -2.779 0.401 2.846 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.002 -2.334 3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.041 -0.826 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.214 -2.359 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.680 -2.911 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.128 -1.786 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.226 -4.952 1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.083 -5.639 0.250 1.00 0.00 H new ATOM 1834 N ALA A 118 0.075 0.057 2.671 1.00 0.00 N ATOM 1835 CA ALA A 118 1.438 0.541 2.811 1.00 0.00 C ATOM 1836 C ALA A 118 1.832 0.522 4.289 1.00 0.00 C ATOM 1837 O ALA A 118 2.993 0.290 4.622 1.00 0.00 O ATOM 1838 CB ALA A 118 1.549 1.937 2.195 1.00 0.00 C ATOM 0 H ALA A 118 -0.523 0.632 2.078 1.00 0.00 H new ATOM 0 HA ALA A 118 2.133 -0.107 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.571 2.301 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.287 1.890 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.868 2.616 2.708 1.00 0.00 H new ATOM 1844 N SER A 119 0.843 0.769 5.135 1.00 0.00 N ATOM 1845 CA SER A 119 1.072 0.784 6.570 1.00 0.00 C ATOM 1846 C SER A 119 1.328 -0.638 7.074 1.00 0.00 C ATOM 1847 O SER A 119 2.197 -0.855 7.916 1.00 0.00 O ATOM 1848 CB SER A 119 -0.114 1.404 7.311 1.00 0.00 C ATOM 1849 OG SER A 119 -0.345 0.777 8.570 1.00 0.00 O ATOM 0 H SER A 119 -0.119 0.960 4.854 1.00 0.00 H new ATOM 0 HA SER A 119 1.951 1.397 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.070 2.467 7.464 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.010 1.321 6.695 1.00 0.00 H new ATOM 0 HG SER A 119 -1.109 1.203 9.012 1.00 0.00 H new