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 Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.56) USER MOD Single : A 44 ASN : amide:sc= -0.784 K(o=-0.78,f=-6.3!) USER MOD Single : A 45 CYS SG : rot -27:sc= -0.52! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -138:sc= -4.8! (180deg=-8.14!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.967 X(o=-0.97,f=-0.74) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.409 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= -0.284 USER MOD Single : A 88 CYS SG : rot 180:sc= -0.82 USER MOD Single : A 92 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.054) USER MOD Single : A 95 SER OG : rot 33:sc= 0.161 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 98 TYR OH : rot -176:sc= -0.274 USER MOD Single : A 101 GLN : amide:sc= -0.396 K(o=-0.4,f=-2.3) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= -0.037 (180deg=-0.314) USER MOD Single : A 116 ASN : amide:sc= 1.12 K(o=1.1,f=-0.7) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 1.916 2.210 -4.994 1.00 0.00 N ATOM 202 CA ARG A 16 1.984 3.600 -4.576 1.00 0.00 C ATOM 203 C ARG A 16 0.775 4.373 -5.105 1.00 0.00 C ATOM 204 O ARG A 16 0.293 4.103 -6.204 1.00 0.00 O ATOM 205 CB ARG A 16 3.266 4.265 -5.081 1.00 0.00 C ATOM 206 CG ARG A 16 3.100 5.784 -5.164 1.00 0.00 C ATOM 207 CD ARG A 16 4.457 6.488 -5.101 1.00 0.00 C ATOM 208 NE ARG A 16 4.493 7.604 -6.072 1.00 0.00 N ATOM 209 CZ ARG A 16 4.655 7.446 -7.393 1.00 0.00 C ATOM 210 NH1 ARG A 16 4.796 6.218 -7.908 1.00 0.00 N ATOM 211 NH2 ARG A 16 4.675 8.517 -8.198 1.00 0.00 N ATOM 0 HA ARG A 16 1.983 3.619 -3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.093 4.022 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.522 3.869 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.592 6.048 -6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.469 6.130 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.634 6.865 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.255 5.778 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 16 4.388 8.553 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.780 5.403 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.919 6.098 -8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.567 9.452 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.798 8.397 -9.203 1.00 0.00 H new ATOM 225 N ILE A 17 0.318 5.320 -4.297 1.00 0.00 N ATOM 226 CA ILE A 17 -0.826 6.134 -4.670 1.00 0.00 C ATOM 227 C ILE A 17 -0.419 7.609 -4.670 1.00 0.00 C ATOM 228 O ILE A 17 0.525 7.996 -3.982 1.00 0.00 O ATOM 229 CB ILE A 17 -2.021 5.825 -3.766 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.334 6.239 -4.432 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.848 6.471 -2.390 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.504 5.409 -3.900 1.00 0.00 C ATOM 0 H ILE A 17 0.720 5.541 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.151 5.893 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.064 4.747 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.521 7.297 -4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.254 6.112 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.711 6.236 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.944 6.086 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.766 7.552 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.426 5.723 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.325 4.354 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.596 5.558 -2.824 1.00 0.00 H new ATOM 244 N CYS A 18 -1.151 8.392 -5.448 1.00 0.00 N ATOM 245 CA CYS A 18 -0.878 9.816 -5.545 1.00 0.00 C ATOM 246 C CYS A 18 -2.206 10.547 -5.752 1.00 0.00 C ATOM 247 O CYS A 18 -3.134 10.000 -6.347 1.00 0.00 O ATOM 248 CB CYS A 18 0.123 10.125 -6.661 1.00 0.00 C ATOM 249 SG CYS A 18 -0.423 9.347 -8.225 1.00 0.00 S ATOM 0 H CYS A 18 -1.933 8.068 -6.017 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.413 10.163 -4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.211 11.203 -6.793 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.111 9.755 -6.387 1.00 0.00 H new ATOM 0 HG CYS A 18 0.432 9.617 -9.166 1.00 0.00 H new ATOM 255 N GLY A 19 -2.256 11.772 -5.249 1.00 0.00 N ATOM 256 CA GLY A 19 -3.455 12.583 -5.371 1.00 0.00 C ATOM 257 C GLY A 19 -3.435 13.744 -4.375 1.00 0.00 C ATOM 258 O GLY A 19 -2.899 13.614 -3.276 1.00 0.00 O ATOM 0 H GLY A 19 -1.485 12.222 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.534 12.972 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.336 11.965 -5.197 1.00 0.00 H new ATOM 262 N PHE A 20 -4.026 14.853 -4.796 1.00 0.00 N ATOM 263 CA PHE A 20 -4.083 16.036 -3.954 1.00 0.00 C ATOM 264 C PHE A 20 -5.100 15.857 -2.825 1.00 0.00 C ATOM 265 O PHE A 20 -6.264 15.547 -3.076 1.00 0.00 O ATOM 266 CB PHE A 20 -4.527 17.198 -4.845 1.00 0.00 C ATOM 267 CG PHE A 20 -3.370 17.987 -5.462 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.561 18.739 -4.668 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.151 17.936 -6.803 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.488 19.471 -5.240 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.077 18.668 -7.375 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.268 19.421 -6.581 1.00 0.00 C ATOM 0 H PHE A 20 -4.469 14.957 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.108 16.219 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.155 16.809 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.144 17.878 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.735 18.779 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.794 17.339 -7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.846 20.068 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.902 18.627 -8.440 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.452 19.979 -7.016 1.00 0.00 H new ATOM 282 N LEU A 21 -4.624 16.060 -1.606 1.00 0.00 N ATOM 283 CA LEU A 21 -5.477 15.926 -0.437 1.00 0.00 C ATOM 284 C LEU A 21 -5.458 17.233 0.357 1.00 0.00 C ATOM 285 O LEU A 21 -4.429 17.904 0.430 1.00 0.00 O ATOM 286 CB LEU A 21 -5.071 14.701 0.385 1.00 0.00 C ATOM 287 CG LEU A 21 -5.118 13.357 -0.345 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.569 12.234 0.537 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.532 13.054 -0.845 1.00 0.00 C ATOM 0 H LEU A 21 -3.658 16.316 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.510 15.751 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.057 14.856 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.722 14.641 1.257 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.473 13.422 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.614 11.290 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.534 12.452 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.167 12.159 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.538 12.093 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.217 13.016 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.850 13.837 -1.534 1.00 0.00 H new ATOM 301 N ASP A 22 -6.607 17.557 0.932 1.00 0.00 N ATOM 302 CA ASP A 22 -6.735 18.772 1.718 1.00 0.00 C ATOM 303 C ASP A 22 -6.519 18.443 3.196 1.00 0.00 C ATOM 304 O ASP A 22 -7.460 18.074 3.898 1.00 0.00 O ATOM 305 CB ASP A 22 -8.130 19.381 1.568 1.00 0.00 C ATOM 306 CG ASP A 22 -8.159 20.797 0.989 1.00 0.00 C ATOM 307 OD1 ASP A 22 -7.113 21.474 1.093 1.00 0.00 O ATOM 308 OD2 ASP A 22 -9.226 21.170 0.455 1.00 0.00 O ATOM 0 H ASP A 22 -7.458 16.999 0.869 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.991 19.484 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.727 18.731 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.611 19.395 2.546 1.00 0.00 H new ATOM 313 N ILE A 23 -5.274 18.589 3.627 1.00 0.00 N ATOM 314 CA ILE A 23 -4.923 18.312 5.009 1.00 0.00 C ATOM 315 C ILE A 23 -5.310 19.510 5.879 1.00 0.00 C ATOM 316 O ILE A 23 -4.961 20.647 5.566 1.00 0.00 O ATOM 317 CB ILE A 23 -3.448 17.923 5.119 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.037 17.739 6.582 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.558 18.936 4.397 1.00 0.00 C ATOM 320 CD1 ILE A 23 -2.082 16.554 6.739 1.00 0.00 C ATOM 0 H ILE A 23 -4.496 18.896 3.043 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.484 17.454 5.380 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.310 16.963 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.557 18.648 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.924 17.579 7.195 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.514 18.635 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.831 18.974 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.693 19.922 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.806 16.446 7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.573 15.643 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.186 16.728 6.144 1.00 0.00 H new ATOM 332 N GLU A 24 -6.026 19.214 6.954 1.00 0.00 N ATOM 333 CA GLU A 24 -6.463 20.252 7.871 1.00 0.00 C ATOM 334 C GLU A 24 -5.287 20.746 8.715 1.00 0.00 C ATOM 335 O GLU A 24 -4.468 19.949 9.171 1.00 0.00 O ATOM 336 CB GLU A 24 -7.605 19.753 8.759 1.00 0.00 C ATOM 337 CG GLU A 24 -8.183 20.893 9.600 1.00 0.00 C ATOM 338 CD GLU A 24 -7.842 20.710 11.081 1.00 0.00 C ATOM 339 OE1 GLU A 24 -6.636 20.787 11.399 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.796 20.497 11.860 1.00 0.00 O ATOM 0 H GLU A 24 -6.314 18.270 7.210 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.841 21.091 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.390 19.319 8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.242 18.961 9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.788 21.846 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.265 20.930 9.474 1.00 0.00 H new ATOM 442 N PHE A 32 -8.365 23.644 5.156 1.00 0.00 N ATOM 443 CA PHE A 32 -7.456 22.603 4.710 1.00 0.00 C ATOM 444 C PHE A 32 -6.311 23.192 3.884 1.00 0.00 C ATOM 445 O PHE A 32 -6.452 24.264 3.297 1.00 0.00 O ATOM 446 CB PHE A 32 -8.265 21.649 3.830 1.00 0.00 C ATOM 447 CG PHE A 32 -9.528 21.104 4.501 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.464 20.596 5.761 1.00 0.00 C ATOM 449 CD2 PHE A 32 -10.715 21.129 3.837 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.636 20.091 6.383 1.00 0.00 C ATOM 451 CE2 PHE A 32 -11.887 20.623 4.459 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.823 20.115 5.719 1.00 0.00 C ATOM 0 HA PHE A 32 -7.023 22.094 5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.547 22.167 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.630 20.812 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.522 20.577 6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.766 21.534 2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.585 19.688 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -12.829 20.642 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.714 19.731 6.192 1.00 0.00 H new ATOM 462 N LEU A 33 -5.203 22.466 3.864 1.00 0.00 N ATOM 463 CA LEU A 33 -4.034 22.903 3.120 1.00 0.00 C ATOM 464 C LEU A 33 -3.881 22.039 1.866 1.00 0.00 C ATOM 465 O LEU A 33 -3.903 20.812 1.948 1.00 0.00 O ATOM 466 CB LEU A 33 -2.796 22.907 4.019 1.00 0.00 C ATOM 467 CG LEU A 33 -2.864 23.815 5.249 1.00 0.00 C ATOM 468 CD1 LEU A 33 -1.467 24.279 5.665 1.00 0.00 C ATOM 469 CD2 LEU A 33 -3.812 24.992 5.010 1.00 0.00 C ATOM 0 H LEU A 33 -5.090 21.577 4.352 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.159 23.933 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.612 21.887 4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.936 23.205 3.419 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.272 23.237 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.543 24.923 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.852 23.412 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.009 24.834 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.842 25.621 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.458 25.578 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.813 24.616 4.798 1.00 0.00 H new ATOM 481 N ARG A 34 -3.728 22.713 0.736 1.00 0.00 N ATOM 482 CA ARG A 34 -3.571 22.023 -0.532 1.00 0.00 C ATOM 483 C ARG A 34 -2.161 21.439 -0.648 1.00 0.00 C ATOM 484 O ARG A 34 -1.213 22.155 -0.965 1.00 0.00 O ATOM 485 CB ARG A 34 -3.822 22.968 -1.709 1.00 0.00 C ATOM 486 CG ARG A 34 -3.589 22.256 -3.043 1.00 0.00 C ATOM 487 CD ARG A 34 -2.612 23.042 -3.921 1.00 0.00 C ATOM 488 NE ARG A 34 -2.887 24.492 -3.811 1.00 0.00 N ATOM 489 CZ ARG A 34 -2.145 25.444 -4.392 1.00 0.00 C ATOM 490 NH1 ARG A 34 -1.078 25.105 -5.128 1.00 0.00 N ATOM 491 NH2 ARG A 34 -2.469 26.735 -4.238 1.00 0.00 N ATOM 0 H ARG A 34 -3.709 23.731 0.673 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.305 21.218 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.844 23.344 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.162 23.832 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.196 21.255 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.538 22.136 -3.566 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.587 22.834 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.706 22.723 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.692 24.785 -3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.831 24.122 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.513 25.830 -5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.281 26.994 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.903 27.459 -4.681 1.00 0.00 H new ATOM 505 N ARG A 35 -2.068 20.144 -0.384 1.00 0.00 N ATOM 506 CA ARG A 35 -0.790 19.456 -0.454 1.00 0.00 C ATOM 507 C ARG A 35 -0.921 18.176 -1.281 1.00 0.00 C ATOM 508 O ARG A 35 -1.927 17.474 -1.190 1.00 0.00 O ATOM 509 CB ARG A 35 -0.277 19.102 0.943 1.00 0.00 C ATOM 510 CG ARG A 35 0.891 20.005 1.344 1.00 0.00 C ATOM 511 CD ARG A 35 0.530 21.481 1.165 1.00 0.00 C ATOM 512 NE ARG A 35 1.052 22.271 2.302 1.00 0.00 N ATOM 513 CZ ARG A 35 0.763 23.562 2.515 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.045 24.216 1.669 1.00 0.00 N ATOM 515 NH2 ARG A 35 1.282 24.200 3.573 1.00 0.00 N ATOM 0 H ARG A 35 -2.857 19.553 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.077 20.129 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.085 19.204 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.041 18.060 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.161 19.816 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.765 19.765 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.947 21.855 0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.552 21.594 1.099 1.00 0.00 H new ATOM 0 HE ARG A 35 1.670 21.804 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.440 23.731 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.265 25.199 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.897 23.703 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.062 25.183 3.734 1.00 0.00 H new ATOM 529 N TYR A 36 0.110 17.911 -2.070 1.00 0.00 N ATOM 530 CA TYR A 36 0.123 16.727 -2.913 1.00 0.00 C ATOM 531 C TYR A 36 0.777 15.547 -2.191 1.00 0.00 C ATOM 532 O TYR A 36 2.001 15.427 -2.172 1.00 0.00 O ATOM 533 CB TYR A 36 0.965 17.090 -4.137 1.00 0.00 C ATOM 534 CG TYR A 36 0.788 16.136 -5.320 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.421 16.074 -5.982 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.838 15.336 -5.724 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.588 15.175 -7.095 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.671 14.437 -6.836 1.00 0.00 C ATOM 539 CZ TYR A 36 0.467 14.401 -7.467 1.00 0.00 C ATOM 540 OH TYR A 36 0.310 13.553 -8.518 1.00 0.00 O ATOM 0 H TYR A 36 0.942 18.496 -2.143 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.893 16.433 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.707 18.100 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.016 17.105 -3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.242 16.700 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.784 15.385 -5.206 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.529 15.117 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.484 13.805 -7.162 1.00 0.00 H new ATOM 0 HH TYR A 36 1.145 13.064 -8.672 1.00 0.00 H new ATOM 550 N PHE A 37 -0.069 14.705 -1.615 1.00 0.00 N ATOM 551 CA PHE A 37 0.412 13.539 -0.894 1.00 0.00 C ATOM 552 C PHE A 37 0.735 12.394 -1.856 1.00 0.00 C ATOM 553 O PHE A 37 0.095 12.254 -2.897 1.00 0.00 O ATOM 554 CB PHE A 37 -0.714 13.098 0.044 1.00 0.00 C ATOM 555 CG PHE A 37 -0.897 14.002 1.265 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.114 15.334 1.098 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.842 13.473 2.517 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.283 16.173 2.231 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.012 14.312 3.650 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.229 15.644 3.483 1.00 0.00 C ATOM 0 H PHE A 37 -1.084 14.807 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 37 1.323 13.788 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.649 13.068 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.513 12.082 0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.158 15.754 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.669 12.415 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.454 17.231 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.969 13.892 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.359 16.282 4.345 1.00 0.00 H new ATOM 570 N ILE A 38 1.729 11.606 -1.474 1.00 0.00 N ATOM 571 CA ILE A 38 2.146 10.478 -2.290 1.00 0.00 C ATOM 572 C ILE A 38 2.572 9.325 -1.379 1.00 0.00 C ATOM 573 O ILE A 38 3.513 9.461 -0.598 1.00 0.00 O ATOM 574 CB ILE A 38 3.225 10.907 -3.285 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.610 11.631 -4.484 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.081 9.713 -3.714 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.696 12.146 -5.431 1.00 0.00 C ATOM 0 H ILE A 38 2.258 11.726 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 38 1.314 10.116 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 38 3.886 11.615 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.946 10.953 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.001 12.465 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.841 10.045 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.565 9.279 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.448 8.963 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.231 12.656 -6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.344 12.842 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.288 11.307 -5.796 1.00 0.00 H new ATOM 589 N LEU A 39 1.859 8.215 -1.509 1.00 0.00 N ATOM 590 CA LEU A 39 2.152 7.040 -0.707 1.00 0.00 C ATOM 591 C LEU A 39 3.345 6.298 -1.314 1.00 0.00 C ATOM 592 O LEU A 39 3.212 5.636 -2.341 1.00 0.00 O ATOM 593 CB LEU A 39 0.901 6.171 -0.554 1.00 0.00 C ATOM 594 CG LEU A 39 0.878 5.237 0.658 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.907 6.033 1.964 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.318 4.285 0.593 1.00 0.00 C ATOM 0 H LEU A 39 1.080 8.105 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 39 2.437 7.330 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.032 6.826 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.789 5.568 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 39 1.779 4.624 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.890 5.345 2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.815 6.634 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.036 6.687 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.311 3.632 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.242 4.862 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.254 3.681 -0.312 1.00 0.00 H new ATOM 608 N ASP A 40 4.484 6.435 -0.651 1.00 0.00 N ATOM 609 CA ASP A 40 5.700 5.787 -1.112 1.00 0.00 C ATOM 610 C ASP A 40 5.964 4.544 -0.260 1.00 0.00 C ATOM 611 O ASP A 40 6.201 4.650 0.942 1.00 0.00 O ATOM 612 CB ASP A 40 6.906 6.718 -0.976 1.00 0.00 C ATOM 613 CG ASP A 40 8.193 6.208 -1.627 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.385 4.973 -1.615 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.957 7.065 -2.122 1.00 0.00 O ATOM 0 H ASP A 40 4.590 6.985 0.201 1.00 0.00 H new ATOM 0 HA ASP A 40 5.565 5.523 -2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.652 7.683 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.096 6.890 0.084 1.00 0.00 H new ATOM 620 N THR A 41 5.915 3.394 -0.917 1.00 0.00 N ATOM 621 CA THR A 41 6.146 2.132 -0.235 1.00 0.00 C ATOM 622 C THR A 41 7.645 1.836 -0.153 1.00 0.00 C ATOM 623 O THR A 41 8.086 1.079 0.710 1.00 0.00 O ATOM 624 CB THR A 41 5.352 1.047 -0.965 1.00 0.00 C ATOM 625 OG1 THR A 41 6.179 0.696 -2.070 1.00 0.00 O ATOM 626 CG2 THR A 41 4.076 1.591 -1.612 1.00 0.00 C ATOM 0 H THR A 41 5.719 3.310 -1.914 1.00 0.00 H new ATOM 0 HA THR A 41 5.797 2.171 0.797 1.00 0.00 H new ATOM 0 HB THR A 41 5.094 0.253 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.741 -0.004 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.550 0.781 -2.117 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.432 2.018 -0.843 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.336 2.362 -2.337 1.00 0.00 H new ATOM 634 N GLN A 42 8.387 2.450 -1.064 1.00 0.00 N ATOM 635 CA GLN A 42 9.827 2.262 -1.106 1.00 0.00 C ATOM 636 C GLN A 42 10.496 3.027 0.038 1.00 0.00 C ATOM 637 O GLN A 42 11.423 2.521 0.669 1.00 0.00 O ATOM 638 CB GLN A 42 10.397 2.691 -2.460 1.00 0.00 C ATOM 639 CG GLN A 42 9.786 1.869 -3.597 1.00 0.00 C ATOM 640 CD GLN A 42 10.762 0.795 -4.082 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.611 0.314 -3.349 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.596 0.448 -5.355 1.00 0.00 N ATOM 0 H GLN A 42 8.018 3.078 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 42 10.039 1.200 -0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.197 3.750 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.480 2.568 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.863 1.400 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.522 2.527 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.866 0.890 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.199 -0.260 -5.773 1.00 0.00 H new ATOM 651 N ALA A 43 10.000 4.233 0.270 1.00 0.00 N ATOM 652 CA ALA A 43 10.538 5.073 1.327 1.00 0.00 C ATOM 653 C ALA A 43 9.993 4.600 2.675 1.00 0.00 C ATOM 654 O ALA A 43 10.682 4.682 3.691 1.00 0.00 O ATOM 655 CB ALA A 43 10.196 6.536 1.040 1.00 0.00 C ATOM 0 H ALA A 43 9.231 4.649 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 43 11.624 4.994 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.599 7.166 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.631 6.831 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.113 6.655 0.997 1.00 0.00 H new ATOM 661 N ASN A 44 8.760 4.115 2.642 1.00 0.00 N ATOM 662 CA ASN A 44 8.115 3.628 3.849 1.00 0.00 C ATOM 663 C ASN A 44 7.662 4.820 4.696 1.00 0.00 C ATOM 664 O ASN A 44 7.517 4.703 5.912 1.00 0.00 O ATOM 665 CB ASN A 44 9.079 2.790 4.691 1.00 0.00 C ATOM 666 CG ASN A 44 8.317 1.880 5.656 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.105 1.750 5.600 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.092 1.260 6.541 1.00 0.00 N ATOM 0 H ASN A 44 8.191 4.049 1.798 1.00 0.00 H new ATOM 0 HA ASN A 44 7.267 3.011 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.708 2.186 4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.742 3.448 5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.678 0.630 7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.100 1.414 6.532 1.00 0.00 H new ATOM 675 N CYS A 45 7.452 5.940 4.019 1.00 0.00 N ATOM 676 CA CYS A 45 7.019 7.151 4.694 1.00 0.00 C ATOM 677 C CYS A 45 6.146 7.954 3.727 1.00 0.00 C ATOM 678 O CYS A 45 6.334 7.886 2.514 1.00 0.00 O ATOM 679 CB CYS A 45 8.207 7.970 5.204 1.00 0.00 C ATOM 680 SG CYS A 45 9.413 6.873 6.034 1.00 0.00 S ATOM 0 H CYS A 45 7.574 6.034 3.011 1.00 0.00 H new ATOM 0 HA CYS A 45 6.436 6.889 5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.686 8.488 4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.860 8.735 5.899 1.00 0.00 H new ATOM 0 HG CYS A 45 8.798 5.828 6.502 1.00 0.00 H new ATOM 686 N LEU A 46 5.210 8.695 4.302 1.00 0.00 N ATOM 687 CA LEU A 46 4.307 9.509 3.506 1.00 0.00 C ATOM 688 C LEU A 46 4.914 10.901 3.318 1.00 0.00 C ATOM 689 O LEU A 46 5.277 11.560 4.292 1.00 0.00 O ATOM 690 CB LEU A 46 2.910 9.526 4.130 1.00 0.00 C ATOM 691 CG LEU A 46 1.808 10.172 3.288 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.207 11.582 2.850 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.436 9.286 2.098 1.00 0.00 C ATOM 0 H LEU A 46 5.057 8.749 5.309 1.00 0.00 H new ATOM 0 HA LEU A 46 4.182 9.079 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.618 8.499 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.966 10.051 5.084 1.00 0.00 H new ATOM 0 HG LEU A 46 0.917 10.268 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.406 12.018 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.382 12.201 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.118 11.534 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.651 9.769 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.313 9.135 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.079 8.322 2.460 1.00 0.00 H new ATOM 705 N LEU A 47 5.005 11.307 2.061 1.00 0.00 N ATOM 706 CA LEU A 47 5.561 12.609 1.733 1.00 0.00 C ATOM 707 C LEU A 47 4.558 13.388 0.880 1.00 0.00 C ATOM 708 O LEU A 47 4.030 12.862 -0.099 1.00 0.00 O ATOM 709 CB LEU A 47 6.936 12.455 1.079 1.00 0.00 C ATOM 710 CG LEU A 47 7.884 11.451 1.739 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.729 10.725 0.691 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.749 12.130 2.803 1.00 0.00 C ATOM 0 H LEU A 47 4.703 10.757 1.257 1.00 0.00 H new ATOM 0 HA LEU A 47 5.728 13.191 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.791 12.159 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.422 13.430 1.068 1.00 0.00 H new ATOM 0 HG LEU A 47 7.283 10.697 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.394 10.017 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.075 10.188 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.322 11.451 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.413 11.394 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.343 12.918 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.108 12.562 3.572 1.00 0.00 H new ATOM 724 N TRP A 48 4.326 14.629 1.282 1.00 0.00 N ATOM 725 CA TRP A 48 3.395 15.485 0.566 1.00 0.00 C ATOM 726 C TRP A 48 4.130 16.775 0.194 1.00 0.00 C ATOM 727 O TRP A 48 4.710 17.433 1.056 1.00 0.00 O ATOM 728 CB TRP A 48 2.132 15.734 1.392 1.00 0.00 C ATOM 729 CG TRP A 48 2.381 16.498 2.695 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.608 17.809 2.851 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.418 15.939 4.025 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.789 18.135 4.180 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.669 16.963 4.916 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.245 14.614 4.461 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.770 16.767 6.299 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.348 14.435 5.845 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.601 15.455 6.756 1.00 0.00 C ATOM 0 H TRP A 48 4.766 15.062 2.094 1.00 0.00 H new ATOM 0 HA TRP A 48 3.053 15.002 -0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.418 16.292 0.786 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.669 14.776 1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.645 18.521 2.040 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.976 19.066 4.553 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.048 13.798 3.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.968 17.584 6.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.222 13.435 6.233 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.667 15.236 7.811 1.00 0.00 H new ATOM 748 N TYR A 49 4.081 17.096 -1.090 1.00 0.00 N ATOM 749 CA TYR A 49 4.735 18.295 -1.587 1.00 0.00 C ATOM 750 C TYR A 49 3.707 19.361 -1.971 1.00 0.00 C ATOM 751 O TYR A 49 2.672 19.047 -2.557 1.00 0.00 O ATOM 752 CB TYR A 49 5.503 17.869 -2.839 1.00 0.00 C ATOM 753 CG TYR A 49 6.195 16.510 -2.713 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.401 16.409 -2.050 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.612 15.386 -3.261 1.00 0.00 C ATOM 756 CE1 TYR A 49 8.052 15.130 -1.931 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.263 14.107 -3.142 1.00 0.00 C ATOM 758 CZ TYR A 49 7.451 14.042 -2.483 1.00 0.00 C ATOM 759 OH TYR A 49 8.066 12.834 -2.371 1.00 0.00 O ATOM 0 H TYR A 49 3.599 16.547 -1.802 1.00 0.00 H new ATOM 0 HA TYR A 49 5.385 18.722 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.813 17.837 -3.682 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.252 18.627 -3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.857 17.289 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.668 15.465 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.996 15.037 -1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.818 13.219 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 49 7.522 12.148 -2.811 1.00 0.00 H new ATOM 769 N MET A 50 4.028 20.599 -1.626 1.00 0.00 N ATOM 770 CA MET A 50 3.145 21.713 -1.928 1.00 0.00 C ATOM 771 C MET A 50 2.465 21.522 -3.285 1.00 0.00 C ATOM 772 O MET A 50 1.274 21.793 -3.431 1.00 0.00 O ATOM 773 CB MET A 50 3.950 23.014 -1.939 1.00 0.00 C ATOM 774 CG MET A 50 4.214 23.508 -0.515 1.00 0.00 C ATOM 775 SD MET A 50 3.666 25.198 -0.343 1.00 0.00 S ATOM 776 CE MET A 50 2.967 25.131 1.298 1.00 0.00 C ATOM 0 H MET A 50 4.887 20.856 -1.140 1.00 0.00 H new ATOM 0 HA MET A 50 2.373 21.759 -1.160 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.897 22.855 -2.454 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.407 23.777 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.692 22.873 0.201 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.278 23.437 -0.288 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.029 25.686 1.317 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.780 24.093 1.572 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.665 25.574 2.009 1.00 0.00 H new ATOM 786 N ASP A 51 3.252 21.056 -4.245 1.00 0.00 N ATOM 787 CA ASP A 51 2.740 20.825 -5.585 1.00 0.00 C ATOM 788 C ASP A 51 3.343 19.533 -6.141 1.00 0.00 C ATOM 789 O ASP A 51 4.273 18.977 -5.558 1.00 0.00 O ATOM 790 CB ASP A 51 3.125 21.969 -6.526 1.00 0.00 C ATOM 791 CG ASP A 51 1.995 22.949 -6.847 1.00 0.00 C ATOM 792 OD1 ASP A 51 1.618 23.703 -5.924 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.534 22.923 -8.009 1.00 0.00 O ATOM 0 H ASP A 51 4.239 20.833 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 51 1.654 20.757 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.951 22.523 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.493 21.543 -7.460 1.00 0.00 H new ATOM 936 N VAL A 63 7.323 19.304 1.973 1.00 0.00 N ATOM 937 CA VAL A 63 6.761 20.277 2.895 1.00 0.00 C ATOM 938 C VAL A 63 6.350 19.569 4.188 1.00 0.00 C ATOM 939 O VAL A 63 6.069 20.220 5.193 1.00 0.00 O ATOM 940 CB VAL A 63 5.604 21.024 2.228 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.470 20.064 1.865 1.00 0.00 C ATOM 942 CG2 VAL A 63 5.098 22.159 3.119 1.00 0.00 C ATOM 0 HA VAL A 63 7.506 21.028 3.158 1.00 0.00 H new ATOM 0 HB VAL A 63 5.978 21.466 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.660 20.620 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.841 19.307 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.099 19.581 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.276 22.673 2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.749 21.749 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.908 22.864 3.305 1.00 0.00 H new ATOM 952 N GLY A 64 6.328 18.246 4.119 1.00 0.00 N ATOM 953 CA GLY A 64 5.955 17.444 5.271 1.00 0.00 C ATOM 954 C GLY A 64 6.200 15.957 5.006 1.00 0.00 C ATOM 955 O GLY A 64 6.321 15.540 3.855 1.00 0.00 O ATOM 0 H GLY A 64 6.562 17.710 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.530 17.762 6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.903 17.607 5.507 1.00 0.00 H new ATOM 959 N SER A 65 6.267 15.198 6.090 1.00 0.00 N ATOM 960 CA SER A 65 6.496 13.767 5.989 1.00 0.00 C ATOM 961 C SER A 65 5.749 13.037 7.108 1.00 0.00 C ATOM 962 O SER A 65 5.472 13.619 8.155 1.00 0.00 O ATOM 963 CB SER A 65 7.989 13.442 6.049 1.00 0.00 C ATOM 964 OG SER A 65 8.581 13.872 7.271 1.00 0.00 O ATOM 0 H SER A 65 6.167 15.547 7.043 1.00 0.00 H new ATOM 0 HA SER A 65 6.116 13.428 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.131 12.367 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.498 13.920 5.212 1.00 0.00 H new ATOM 0 HG SER A 65 9.534 13.644 7.271 1.00 0.00 H new ATOM 970 N LEU A 66 5.444 11.774 6.847 1.00 0.00 N ATOM 971 CA LEU A 66 4.735 10.959 7.818 1.00 0.00 C ATOM 972 C LEU A 66 5.231 9.515 7.725 1.00 0.00 C ATOM 973 O LEU A 66 4.761 8.746 6.888 1.00 0.00 O ATOM 974 CB LEU A 66 3.223 11.103 7.636 1.00 0.00 C ATOM 975 CG LEU A 66 2.470 11.778 8.785 1.00 0.00 C ATOM 976 CD1 LEU A 66 1.006 12.022 8.412 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.606 10.971 10.078 1.00 0.00 C ATOM 0 H LEU A 66 5.675 11.295 5.976 1.00 0.00 H new ATOM 0 HA LEU A 66 4.945 11.304 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.039 11.671 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.799 10.110 7.484 1.00 0.00 H new ATOM 0 HG LEU A 66 2.923 12.753 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.493 12.502 9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.957 12.667 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.524 11.070 8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.062 11.472 10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.194 9.973 9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.659 10.892 10.349 1.00 0.00 H new ATOM 989 N GLN A 67 6.174 9.190 8.597 1.00 0.00 N ATOM 990 CA GLN A 67 6.739 7.851 8.624 1.00 0.00 C ATOM 991 C GLN A 67 5.646 6.820 8.911 1.00 0.00 C ATOM 992 O GLN A 67 4.948 6.914 9.920 1.00 0.00 O ATOM 993 CB GLN A 67 7.869 7.754 9.650 1.00 0.00 C ATOM 994 CG GLN A 67 8.933 8.824 9.398 1.00 0.00 C ATOM 995 CD GLN A 67 8.704 10.046 10.290 1.00 0.00 C ATOM 996 OE1 GLN A 67 8.533 9.945 11.494 1.00 0.00 O ATOM 997 NE2 GLN A 67 8.710 11.203 9.634 1.00 0.00 N ATOM 0 H GLN A 67 6.561 9.830 9.290 1.00 0.00 H new ATOM 0 HA GLN A 67 7.164 7.636 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.463 7.870 10.655 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.325 6.765 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.923 8.410 9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.911 9.125 8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.859 11.216 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.566 12.077 10.140 1.00 0.00 H new ATOM 1006 N LEU A 68 5.532 5.858 8.007 1.00 0.00 N ATOM 1007 CA LEU A 68 4.537 4.810 8.151 1.00 0.00 C ATOM 1008 C LEU A 68 4.705 4.136 9.515 1.00 0.00 C ATOM 1009 O LEU A 68 3.772 3.516 10.024 1.00 0.00 O ATOM 1010 CB LEU A 68 4.608 3.837 6.972 1.00 0.00 C ATOM 1011 CG LEU A 68 4.395 4.447 5.586 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.433 3.369 4.500 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.101 5.263 5.538 1.00 0.00 C ATOM 0 H LEU A 68 6.113 5.783 7.172 1.00 0.00 H new ATOM 0 HA LEU A 68 3.533 5.233 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.583 3.350 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.860 3.059 7.123 1.00 0.00 H new ATOM 0 HG LEU A 68 5.217 5.135 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.279 3.830 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.402 2.870 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.645 2.639 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.974 5.686 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.254 4.616 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.152 6.069 6.270 1.00 0.00 H new ATOM 1025 N THR A 69 5.900 4.282 10.068 1.00 0.00 N ATOM 1026 CA THR A 69 6.202 3.696 11.362 1.00 0.00 C ATOM 1027 C THR A 69 5.232 4.218 12.424 1.00 0.00 C ATOM 1028 O THR A 69 5.019 3.571 13.448 1.00 0.00 O ATOM 1029 CB THR A 69 7.669 3.988 11.683 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.790 5.397 11.502 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.625 3.396 10.646 1.00 0.00 C ATOM 0 H THR A 69 6.671 4.798 9.643 1.00 0.00 H new ATOM 0 HA THR A 69 6.067 2.615 11.347 1.00 0.00 H new ATOM 0 HB THR A 69 7.911 3.590 12.668 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.711 5.673 11.691 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.653 3.633 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.499 2.314 10.611 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.406 3.819 9.666 1.00 0.00 H new ATOM 1039 N TYR A 70 4.669 5.384 12.142 1.00 0.00 N ATOM 1040 CA TYR A 70 3.726 6.001 13.060 1.00 0.00 C ATOM 1041 C TYR A 70 2.304 5.498 12.805 1.00 0.00 C ATOM 1042 O TYR A 70 1.669 4.940 13.699 1.00 0.00 O ATOM 1043 CB TYR A 70 3.782 7.503 12.775 1.00 0.00 C ATOM 1044 CG TYR A 70 4.976 8.214 13.415 1.00 0.00 C ATOM 1045 CD1 TYR A 70 6.249 7.704 13.254 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.781 9.364 14.152 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.373 8.373 13.856 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.905 10.032 14.754 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.146 9.504 14.577 1.00 0.00 C ATOM 1050 OH TYR A 70 8.208 10.136 15.145 1.00 0.00 O ATOM 0 H TYR A 70 4.848 5.918 11.291 1.00 0.00 H new ATOM 0 HA TYR A 70 3.982 5.761 14.092 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.816 7.657 11.696 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.862 7.965 13.134 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.402 6.804 12.677 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.785 9.763 14.277 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.374 7.985 13.738 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.766 10.933 15.334 1.00 0.00 H new ATOM 0 HH TYR A 70 7.896 10.930 15.628 1.00 0.00 H new ATOM 1060 N ILE A 71 1.845 5.713 11.581 1.00 0.00 N ATOM 1061 CA ILE A 71 0.509 5.289 11.197 1.00 0.00 C ATOM 1062 C ILE A 71 0.242 3.891 11.759 1.00 0.00 C ATOM 1063 O ILE A 71 1.120 3.030 11.735 1.00 0.00 O ATOM 1064 CB ILE A 71 0.331 5.386 9.681 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.383 6.842 9.215 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -0.954 4.687 9.234 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.669 7.123 8.434 1.00 0.00 C ATOM 0 H ILE A 71 2.375 6.175 10.842 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.240 5.955 11.626 1.00 0.00 H new ATOM 0 HB ILE A 71 1.163 4.866 9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.482 7.058 8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.325 7.506 10.078 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.056 4.771 8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.912 3.634 9.514 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.811 5.157 9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.680 8.165 8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.532 6.930 9.072 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.712 6.475 7.559 1.00 0.00 H new ATOM 1079 N SER A 72 -0.975 3.709 12.252 1.00 0.00 N ATOM 1080 CA SER A 72 -1.369 2.431 12.820 1.00 0.00 C ATOM 1081 C SER A 72 -2.618 1.906 12.110 1.00 0.00 C ATOM 1082 O SER A 72 -2.676 0.738 11.729 1.00 0.00 O ATOM 1083 CB SER A 72 -1.623 2.550 14.324 1.00 0.00 C ATOM 1084 OG SER A 72 -2.017 1.308 14.899 1.00 0.00 O ATOM 0 H SER A 72 -1.701 4.425 12.270 1.00 0.00 H new ATOM 0 HA SER A 72 -0.551 1.725 12.673 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.719 2.907 14.817 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.399 3.294 14.503 1.00 0.00 H new ATOM 0 HG SER A 72 -2.168 1.426 15.860 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.588 2.795 11.953 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.834 2.437 11.296 1.00 0.00 C ATOM 1092 C LYS A 73 -5.330 3.625 10.471 1.00 0.00 C ATOM 1093 O LYS A 73 -5.115 4.777 10.843 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.852 1.929 12.319 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.274 1.998 11.757 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.145 0.879 12.331 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.770 1.300 13.663 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.403 0.345 14.732 1.00 0.00 N ATOM 0 H LYS A 73 -3.536 3.763 12.270 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.676 1.611 10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.615 0.901 12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.787 2.525 13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.716 2.966 11.994 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.244 1.919 10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.931 0.624 11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.543 -0.018 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.432 2.301 13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.855 1.346 13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.835 0.645 15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.747 -0.604 14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.369 0.322 14.837 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.985 3.304 9.365 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.514 4.331 8.484 1.00 0.00 C ATOM 1114 C VAL A 74 -7.999 4.063 8.228 1.00 0.00 C ATOM 1115 O VAL A 74 -8.349 3.245 7.379 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.688 4.393 7.197 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.140 5.556 6.311 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.194 4.491 7.509 1.00 0.00 C ATOM 0 H VAL A 74 -6.161 2.347 9.059 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.437 5.312 8.952 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.856 3.467 6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.537 5.577 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.189 5.426 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.016 6.495 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.630 4.534 6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.002 5.392 8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.884 3.617 8.081 1.00 0.00 H new ATOM 1128 N SER A 75 -8.832 4.768 8.979 1.00 0.00 N ATOM 1129 CA SER A 75 -10.271 4.617 8.845 1.00 0.00 C ATOM 1130 C SER A 75 -10.884 5.905 8.291 1.00 0.00 C ATOM 1131 O SER A 75 -10.238 6.951 8.286 1.00 0.00 O ATOM 1132 CB SER A 75 -10.915 4.256 10.185 1.00 0.00 C ATOM 1133 OG SER A 75 -12.337 4.324 10.130 1.00 0.00 O ATOM 0 H SER A 75 -8.538 5.445 9.683 1.00 0.00 H new ATOM 0 HA SER A 75 -10.465 3.801 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.611 3.250 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.549 4.933 10.957 1.00 0.00 H new ATOM 0 HG SER A 75 -12.710 4.085 11.004 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.123 5.786 7.839 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.831 6.928 7.285 1.00 0.00 C ATOM 1141 C ILE A 76 -13.237 7.871 8.419 1.00 0.00 C ATOM 1142 O ILE A 76 -13.766 7.429 9.438 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.005 6.463 6.421 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.538 5.485 5.341 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.755 7.657 5.827 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.479 6.126 4.441 1.00 0.00 C ATOM 0 H ILE A 76 -12.655 4.916 7.845 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.179 7.493 6.619 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.707 5.926 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.129 4.589 5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.390 5.169 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.585 7.299 5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.140 8.282 6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.075 8.242 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.164 5.410 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.899 7.007 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.619 6.418 5.043 1.00 0.00 H new ATOM 1158 N ALA A 77 -12.973 9.151 8.205 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.304 10.160 9.197 1.00 0.00 C ATOM 1160 C ALA A 77 -14.825 10.272 9.315 1.00 0.00 C ATOM 1161 O ALA A 77 -15.558 9.719 8.496 1.00 0.00 O ATOM 1162 CB ALA A 77 -12.650 11.488 8.813 1.00 0.00 C ATOM 0 H ALA A 77 -12.533 9.513 7.359 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.917 9.877 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.899 12.245 9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.568 11.362 8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.017 11.805 7.837 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.084 12.149 1.755 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.989 11.212 1.572 1.00 0.00 C ATOM 1323 C PHE A 87 -13.719 11.711 2.265 1.00 0.00 C ATOM 1324 O PHE A 87 -12.809 12.217 1.611 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.730 11.115 0.067 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.974 11.341 -0.794 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.860 10.328 -0.987 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.192 12.555 -1.367 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.015 10.538 -1.787 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.347 12.764 -2.167 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.234 11.751 -2.360 1.00 0.00 C ATOM 0 HA PHE A 87 -15.250 10.246 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.972 11.848 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.319 10.131 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.686 9.364 -0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.488 13.359 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.719 9.734 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.521 13.728 -2.622 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.112 11.910 -2.968 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.699 11.550 3.580 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.556 11.977 4.369 1.00 0.00 C ATOM 1343 C CYS A 88 -12.052 10.777 5.173 1.00 0.00 C ATOM 1344 O CYS A 88 -12.847 10.002 5.703 1.00 0.00 O ATOM 1345 CB CYS A 88 -12.903 13.164 5.271 1.00 0.00 C ATOM 1346 SG CYS A 88 -14.575 12.942 5.981 1.00 0.00 S ATOM 0 H CYS A 88 -14.456 11.130 4.119 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.764 12.328 3.707 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.168 13.251 6.071 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.862 14.091 4.699 1.00 0.00 H new ATOM 0 HG CYS A 88 -14.859 13.953 6.747 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.733 10.662 5.240 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.114 9.569 5.971 1.00 0.00 C ATOM 1354 C PHE A 89 -9.157 10.099 7.041 1.00 0.00 C ATOM 1355 O PHE A 89 -8.398 11.034 6.793 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.319 8.746 4.956 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.097 9.471 4.387 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -6.968 9.592 5.136 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.140 9.994 3.132 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -5.835 10.264 4.608 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.006 10.667 2.604 1.00 0.00 C ATOM 1362 CZ PHE A 89 -5.878 10.788 3.353 1.00 0.00 C ATOM 0 H PHE A 89 -10.077 11.307 4.800 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.879 8.973 6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.991 7.821 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.978 8.467 4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.934 9.177 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.036 9.898 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.938 10.360 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.040 11.082 1.608 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.016 11.300 2.952 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.226 9.478 8.210 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.375 9.875 9.319 1.00 0.00 C ATOM 1374 C VAL A 90 -7.261 8.842 9.496 1.00 0.00 C ATOM 1375 O VAL A 90 -7.530 7.672 9.763 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.218 10.068 10.581 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.382 9.831 11.840 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -9.862 11.456 10.604 1.00 0.00 C ATOM 0 H VAL A 90 -9.858 8.703 8.413 1.00 0.00 H new ATOM 0 HA VAL A 90 -7.899 10.834 9.112 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.018 9.328 10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.005 9.975 12.723 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.993 8.813 11.832 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.551 10.537 11.863 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.456 11.567 11.512 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.084 12.219 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.506 11.573 9.733 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.032 9.312 9.341 1.00 0.00 N ATOM 1389 CA ILE A 91 -4.875 8.444 9.481 1.00 0.00 C ATOM 1390 C ILE A 91 -4.519 8.310 10.963 1.00 0.00 C ATOM 1391 O ILE A 91 -3.964 9.232 11.558 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.719 8.947 8.614 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -3.908 8.534 7.153 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.372 8.482 9.172 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -2.847 9.179 6.259 1.00 0.00 C ATOM 0 H ILE A 91 -5.812 10.283 9.120 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.104 7.443 9.116 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.720 10.037 8.643 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.850 7.449 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.902 8.827 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.567 8.853 8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.244 8.869 10.183 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.344 7.393 9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.004 8.869 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.924 10.264 6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.856 8.864 6.585 1.00 0.00 H new ATOM 1407 N ASN A 92 -4.854 7.154 11.517 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.577 6.887 12.918 1.00 0.00 C ATOM 1409 C ASN A 92 -3.115 6.464 13.073 1.00 0.00 C ATOM 1410 O ASN A 92 -2.658 5.541 12.401 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.456 5.752 13.447 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.242 6.197 14.682 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.697 6.709 15.646 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.551 5.974 14.600 1.00 0.00 N ATOM 0 H ASN A 92 -5.315 6.391 11.021 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.785 7.797 13.482 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.147 5.430 12.668 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.834 4.892 13.697 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.162 6.236 15.373 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.943 5.541 13.764 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.422 7.160 13.962 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.021 6.869 14.214 1.00 0.00 C ATOM 1423 C ALA A 93 -0.817 6.622 15.710 1.00 0.00 C ATOM 1424 O ALA A 93 -1.695 6.080 16.379 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.158 8.018 13.689 1.00 0.00 C ATOM 0 H ALA A 93 -2.805 7.925 14.517 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.716 5.965 13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.893 7.800 13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.318 8.132 12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.434 8.942 14.197 1.00 0.00 H new ATOM 1431 N LEU A 94 0.348 7.030 16.191 1.00 0.00 N ATOM 1432 CA LEU A 94 0.679 6.860 17.595 1.00 0.00 C ATOM 1433 C LEU A 94 -0.563 7.138 18.445 1.00 0.00 C ATOM 1434 O LEU A 94 -1.142 6.220 19.023 1.00 0.00 O ATOM 1435 CB LEU A 94 1.886 7.723 17.970 1.00 0.00 C ATOM 1436 CG LEU A 94 3.088 7.640 17.027 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.380 8.024 17.752 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.183 6.257 16.381 1.00 0.00 C ATOM 0 H LEU A 94 1.075 7.478 15.633 1.00 0.00 H new ATOM 0 HA LEU A 94 0.978 5.831 17.793 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.562 8.762 18.023 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.214 7.440 18.970 1.00 0.00 H new ATOM 0 HG LEU A 94 2.943 8.361 16.223 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.219 7.957 17.060 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.298 9.045 18.125 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.544 7.344 18.588 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.046 6.225 15.716 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.295 5.500 17.157 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.276 6.059 15.809 1.00 0.00 H new ATOM 1450 N SER A 95 -0.935 8.409 18.493 1.00 0.00 N ATOM 1451 CA SER A 95 -2.098 8.819 19.263 1.00 0.00 C ATOM 1452 C SER A 95 -2.686 10.104 18.677 1.00 0.00 C ATOM 1453 O SER A 95 -3.348 10.865 19.381 1.00 0.00 O ATOM 1454 CB SER A 95 -1.740 9.022 20.736 1.00 0.00 C ATOM 1455 OG SER A 95 -1.930 7.835 21.501 1.00 0.00 O ATOM 0 H SER A 95 -0.452 9.168 18.012 1.00 0.00 H new ATOM 0 HA SER A 95 -2.844 8.026 19.205 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.701 9.342 20.816 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.353 9.822 21.151 1.00 0.00 H new ATOM 0 HG SER A 95 -1.741 7.052 20.943 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.423 10.306 17.394 1.00 0.00 N ATOM 1462 CA GLN A 96 -2.918 11.486 16.706 1.00 0.00 C ATOM 1463 C GLN A 96 -3.915 11.087 15.617 1.00 0.00 C ATOM 1464 O GLN A 96 -4.114 9.901 15.357 1.00 0.00 O ATOM 1465 CB GLN A 96 -1.765 12.303 16.120 1.00 0.00 C ATOM 1466 CG GLN A 96 -1.767 13.730 16.672 1.00 0.00 C ATOM 1467 CD GLN A 96 -0.653 14.566 16.038 1.00 0.00 C ATOM 1468 OE1 GLN A 96 0.432 14.086 15.752 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -0.980 15.838 15.834 1.00 0.00 N ATOM 0 H GLN A 96 -1.874 9.672 16.813 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.434 12.115 17.431 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.816 11.820 16.355 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.849 12.330 15.034 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.732 14.197 16.478 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.637 13.705 17.754 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.906 16.175 16.097 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.305 16.477 15.415 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.517 12.099 15.010 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.489 11.868 13.955 1.00 0.00 C ATOM 1480 C ARG A 97 -5.378 12.954 12.883 1.00 0.00 C ATOM 1481 O ARG A 97 -5.660 14.122 13.145 1.00 0.00 O ATOM 1482 CB ARG A 97 -6.914 11.856 14.512 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.232 13.167 15.233 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.434 13.003 16.166 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.116 13.551 17.503 1.00 0.00 N ATOM 1486 CZ ARG A 97 -7.359 12.922 18.412 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -6.838 11.720 18.133 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -7.123 13.495 19.600 1.00 0.00 N ATOM 0 H ARG A 97 -4.350 13.081 15.229 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.274 10.894 13.515 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.624 11.702 13.700 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.032 11.020 15.201 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.363 13.490 15.807 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.439 13.948 14.501 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.300 13.517 15.750 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.699 11.949 16.250 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.497 14.465 17.748 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.018 11.284 17.229 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.262 11.241 18.825 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.520 14.410 19.813 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.547 13.016 20.292 1.00 0.00 H new ATOM 1502 N TYR A 98 -4.964 12.530 11.697 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.812 13.451 10.585 1.00 0.00 C ATOM 1504 C TYR A 98 -6.077 13.487 9.725 1.00 0.00 C ATOM 1505 O TYR A 98 -6.480 12.470 9.164 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.654 12.909 9.744 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.290 13.001 10.430 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.524 14.142 10.293 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.825 11.945 11.186 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.240 14.229 10.939 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.541 12.032 11.832 1.00 0.00 C ATOM 1512 CZ TYR A 98 0.188 13.170 11.677 1.00 0.00 C ATOM 1513 OH TYR A 98 1.401 13.252 12.287 1.00 0.00 O ATOM 0 H TYR A 98 -4.729 11.561 11.483 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.629 14.463 10.947 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.855 11.867 9.496 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.614 13.458 8.803 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.888 14.969 9.701 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.424 11.053 11.293 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.369 15.115 10.840 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.165 11.212 12.426 1.00 0.00 H new ATOM 0 HH TYR A 98 1.604 12.400 12.727 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.669 14.671 9.650 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.880 14.853 8.868 1.00 0.00 C ATOM 1525 C PHE A 99 -7.556 15.381 7.470 1.00 0.00 C ATOM 1526 O PHE A 99 -7.055 16.495 7.324 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.736 15.885 9.605 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.366 15.362 10.898 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.169 14.265 10.867 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.123 15.995 12.077 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.754 13.780 12.067 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -9.708 15.510 13.276 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.511 14.413 13.246 1.00 0.00 C ATOM 0 H PHE A 99 -6.332 15.513 10.118 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.397 13.900 8.755 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.119 16.753 9.839 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.528 16.227 8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.362 13.763 9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.485 16.866 12.101 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.392 12.909 12.043 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.515 16.012 14.212 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.956 14.044 14.158 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.856 14.557 6.476 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.602 14.928 5.094 1.00 0.00 C ATOM 1545 C LEU A 100 -8.901 14.812 4.294 1.00 0.00 C ATOM 1546 O LEU A 100 -9.834 14.128 4.712 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.450 14.101 4.520 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.181 14.037 5.372 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.353 13.066 6.542 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.962 13.691 4.515 1.00 0.00 C ATOM 0 H LEU A 100 -8.272 13.634 6.600 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.279 15.967 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.806 13.084 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.188 14.508 3.543 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.006 15.025 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.436 13.040 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.179 13.397 7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.566 12.068 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.073 13.652 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.114 12.721 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.829 14.453 3.747 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.920 15.491 3.156 1.00 0.00 N ATOM 1563 CA GLN A 101 -10.088 15.473 2.293 1.00 0.00 C ATOM 1564 C GLN A 101 -9.702 15.010 0.886 1.00 0.00 C ATOM 1565 O GLN A 101 -8.732 15.502 0.312 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.762 16.846 2.253 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.151 16.757 1.618 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.863 18.110 1.664 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.269 19.144 1.924 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -14.164 18.047 1.398 1.00 0.00 N ATOM 0 H GLN A 101 -8.144 16.057 2.812 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.807 14.764 2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.846 17.244 3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.143 17.542 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.061 16.424 0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.747 16.010 2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.599 17.148 1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.727 18.897 1.404 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.482 14.070 0.372 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.234 13.536 -0.956 1.00 0.00 C ATOM 1581 C ALA A 102 -11.064 14.317 -1.978 1.00 0.00 C ATOM 1582 O ALA A 102 -11.857 15.181 -1.609 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.548 12.039 -0.971 1.00 0.00 C ATOM 0 H ALA A 102 -11.286 13.665 0.851 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.184 13.651 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.362 11.638 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.912 11.527 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.594 11.884 -0.707 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.852 13.983 -3.243 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.570 14.642 -4.320 1.00 0.00 C ATOM 1591 C ASN A 103 -12.918 13.948 -4.528 1.00 0.00 C ATOM 1592 O ASN A 103 -13.964 14.595 -4.503 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.789 14.561 -5.633 1.00 0.00 C ATOM 1594 CG ASN A 103 -10.024 15.859 -5.898 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.457 16.725 -6.640 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.866 15.946 -5.250 1.00 0.00 N ATOM 0 H ASN A 103 -10.194 13.265 -3.545 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.705 15.688 -4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.091 13.725 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.475 14.365 -6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.281 16.775 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.562 15.184 -4.644 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.849 12.640 -4.729 1.00 0.00 N ATOM 1604 CA ASP A 104 -14.051 11.851 -4.942 1.00 0.00 C ATOM 1605 C ASP A 104 -14.117 10.739 -3.893 1.00 0.00 C ATOM 1606 O ASP A 104 -13.414 10.789 -2.885 1.00 0.00 O ATOM 1607 CB ASP A 104 -14.043 11.197 -6.325 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.638 12.120 -7.475 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -13.746 13.350 -7.280 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -13.229 11.576 -8.523 1.00 0.00 O ATOM 0 H ASP A 104 -11.980 12.107 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.910 12.517 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.361 10.347 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.038 10.802 -6.529 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.970 9.763 -4.166 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.138 8.640 -3.258 1.00 0.00 C ATOM 1617 C GLN A 105 -14.039 7.601 -3.490 1.00 0.00 C ATOM 1618 O GLN A 105 -13.660 6.878 -2.570 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.525 8.014 -3.411 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.541 6.579 -2.881 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.924 5.947 -3.050 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.368 5.648 -4.146 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.577 5.761 -1.907 1.00 0.00 N ATOM 0 H GLN A 105 -15.552 9.726 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 105 -15.053 9.009 -2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.259 8.613 -2.872 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.817 8.021 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.798 5.983 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.261 6.574 -1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.147 6.034 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.508 5.345 -1.914 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.558 7.560 -4.724 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.510 6.622 -5.088 1.00 0.00 C ATOM 1634 C LYS A 106 -11.214 7.008 -4.373 1.00 0.00 C ATOM 1635 O LYS A 106 -10.744 6.283 -3.497 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.372 6.537 -6.609 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.530 5.327 -7.017 1.00 0.00 C ATOM 1638 CD LYS A 106 -10.638 5.657 -8.216 1.00 0.00 C ATOM 1639 CE LYS A 106 -11.169 5.001 -9.491 1.00 0.00 C ATOM 1640 NZ LYS A 106 -10.076 4.809 -10.470 1.00 0.00 N ATOM 0 H LYS A 106 -13.875 8.161 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.768 5.616 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.360 6.467 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.911 7.449 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.913 5.009 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.184 4.491 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.590 6.737 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.621 5.314 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.622 4.039 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.951 5.622 -9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.454 4.362 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.661 5.731 -10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.343 4.198 -10.057 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.673 8.150 -4.772 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.441 8.642 -4.181 1.00 0.00 C ATOM 1656 C ASP A 107 -9.478 8.410 -2.669 1.00 0.00 C ATOM 1657 O ASP A 107 -8.512 7.916 -2.089 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.273 10.143 -4.424 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.833 10.603 -4.659 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.137 9.915 -5.436 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.461 11.633 -4.056 1.00 0.00 O ATOM 0 H ASP A 107 -11.066 8.749 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.610 8.107 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.874 10.425 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.675 10.682 -3.566 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.603 8.776 -2.073 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.779 8.614 -0.640 1.00 0.00 C ATOM 1668 C LEU A 108 -10.511 7.157 -0.260 1.00 0.00 C ATOM 1669 O LEU A 108 -9.558 6.865 0.462 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.158 9.119 -0.209 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.594 8.747 1.209 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.208 7.346 1.245 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.433 8.889 2.196 1.00 0.00 C ATOM 0 H LEU A 108 -11.402 9.185 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.058 9.224 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.170 10.205 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.899 8.734 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.369 9.447 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.509 7.107 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.080 7.314 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.473 6.618 0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.771 8.618 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.619 8.229 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.082 9.921 2.198 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.368 6.280 -0.761 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.236 4.860 -0.483 1.00 0.00 C ATOM 1687 C LYS A 109 -9.822 4.403 -0.848 1.00 0.00 C ATOM 1688 O LYS A 109 -9.116 3.833 -0.017 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.340 4.070 -1.190 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.373 3.554 -0.187 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.416 2.025 -0.181 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.730 1.515 0.413 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.853 1.770 -0.517 1.00 0.00 N ATOM 0 H LYS A 109 -12.157 6.526 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.370 4.666 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.830 4.704 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.902 3.231 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.129 3.918 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.358 3.948 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.303 1.651 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.577 1.636 0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.654 0.447 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.920 2.008 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.643 1.132 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.167 2.757 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.540 1.600 -1.494 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.451 4.669 -2.092 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.135 4.292 -2.577 1.00 0.00 C ATOM 1709 C ASP A 110 -7.081 4.687 -1.540 1.00 0.00 C ATOM 1710 O ASP A 110 -6.416 3.826 -0.966 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.803 5.011 -3.886 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.305 4.105 -5.013 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -6.441 3.252 -4.716 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -7.799 4.287 -6.147 1.00 0.00 O ATOM 0 H ASP A 110 -10.039 5.141 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.135 3.215 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.693 5.537 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.044 5.767 -3.685 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.963 5.990 -1.331 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.002 6.510 -0.373 1.00 0.00 C ATOM 1721 C TRP A 111 -6.089 5.657 0.894 1.00 0.00 C ATOM 1722 O TRP A 111 -5.087 5.102 1.343 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.241 7.998 -0.109 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.383 8.928 -0.969 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.783 9.746 -1.952 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.953 9.104 -0.882 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.720 10.433 -2.503 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.572 10.030 -1.831 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.012 8.500 -0.029 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.245 10.435 -2.018 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.690 8.916 -0.228 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.291 9.847 -1.179 1.00 0.00 C ATOM 0 H TRP A 111 -7.517 6.701 -1.809 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.989 6.444 -0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.293 8.224 -0.286 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.043 8.206 0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.809 9.854 -2.273 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.768 11.111 -3.263 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.287 7.773 0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.972 11.162 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.927 8.483 0.402 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.249 10.116 -1.271 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.295 5.579 1.436 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.526 4.803 2.642 1.00 0.00 C ATOM 1745 C VAL A 112 -6.951 3.397 2.457 1.00 0.00 C ATOM 1746 O VAL A 112 -6.234 2.896 3.322 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.017 4.798 2.985 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.276 4.053 4.296 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.570 6.223 3.045 1.00 0.00 C ATOM 0 H VAL A 112 -8.124 6.041 1.062 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.013 5.256 3.490 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.542 4.268 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.343 4.064 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.936 3.022 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.733 4.541 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.632 6.191 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.037 6.788 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.436 6.706 2.077 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.286 2.800 1.322 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.812 1.462 1.012 1.00 0.00 C ATOM 1761 C GLU A 113 -5.283 1.442 0.948 1.00 0.00 C ATOM 1762 O GLU A 113 -4.644 0.587 1.558 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.422 0.953 -0.295 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.947 1.085 -0.276 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.616 -0.239 -0.647 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.277 -0.763 -1.730 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.453 -0.698 0.161 1.00 0.00 O ATOM 0 H GLU A 113 -7.880 3.219 0.606 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.132 0.791 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.015 1.517 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.145 -0.090 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.276 1.398 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.257 1.862 -0.975 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.742 2.395 0.203 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.301 2.498 0.051 1.00 0.00 C ATOM 1776 C ALA A 114 -2.659 2.685 1.427 1.00 0.00 C ATOM 1777 O ALA A 114 -1.640 2.066 1.731 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.969 3.643 -0.908 1.00 0.00 C ATOM 0 H ALA A 114 -5.276 3.103 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.895 1.583 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.888 3.720 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.423 3.447 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.359 4.578 -0.507 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.281 3.542 2.223 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.783 3.819 3.560 1.00 0.00 C ATOM 1786 C LEU A 115 -3.061 2.615 4.462 1.00 0.00 C ATOM 1787 O LEU A 115 -2.492 2.504 5.547 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.368 5.131 4.088 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.902 6.405 3.381 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.902 7.544 3.589 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.490 6.794 3.824 1.00 0.00 C ATOM 0 H LEU A 115 -4.126 4.054 1.968 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.703 3.962 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.454 5.076 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.122 5.216 5.146 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.859 6.205 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.547 8.438 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.872 7.255 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.000 7.752 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.184 7.703 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.481 6.969 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.798 5.988 3.582 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.935 1.744 3.980 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.295 0.552 4.730 1.00 0.00 C ATOM 1805 C ASN A 116 -3.361 -0.594 4.337 1.00 0.00 C ATOM 1806 O ASN A 116 -3.268 -1.595 5.045 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.730 0.120 4.421 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.676 0.506 5.560 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.986 -0.282 6.438 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.115 1.759 5.496 1.00 0.00 N ATOM 0 H ASN A 116 -4.405 1.840 3.080 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.208 0.782 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.062 0.586 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.763 -0.958 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.751 2.114 6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.815 2.366 4.733 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.691 -0.409 3.208 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.768 -1.414 2.712 1.00 0.00 C ATOM 1819 C GLN A 117 -0.336 -1.070 3.126 1.00 0.00 C ATOM 1820 O GLN A 117 0.310 -1.839 3.837 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.879 -1.560 1.193 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.214 -2.196 0.800 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.008 -3.314 -0.225 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.311 -3.179 -1.398 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -2.476 -4.422 0.284 1.00 0.00 N ATOM 0 H GLN A 117 -2.770 0.423 2.623 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.034 -2.373 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.786 -0.581 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.057 -2.172 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.705 -2.597 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.875 -1.435 0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.246 -4.468 1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.298 -5.226 -0.318 1.00 0.00 H new ATOM 1834 N ALA A 118 0.119 0.085 2.664 1.00 0.00 N ATOM 1835 CA ALA A 118 1.462 0.541 2.977 1.00 0.00 C ATOM 1836 C ALA A 118 1.689 0.445 4.488 1.00 0.00 C ATOM 1837 O ALA A 118 2.826 0.325 4.942 1.00 0.00 O ATOM 1838 CB ALA A 118 1.656 1.963 2.447 1.00 0.00 C ATOM 0 H ALA A 118 -0.420 0.720 2.074 1.00 0.00 H new ATOM 0 HA ALA A 118 2.205 -0.091 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.664 2.305 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.513 1.971 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.929 2.628 2.914 1.00 0.00 H new ATOM 1844 N SER A 119 0.589 0.503 5.224 1.00 0.00 N ATOM 1845 CA SER A 119 0.653 0.425 6.673 1.00 0.00 C ATOM 1846 C SER A 119 0.855 -1.028 7.110 1.00 0.00 C ATOM 1847 O SER A 119 1.783 -1.331 7.858 1.00 0.00 O ATOM 1848 CB SER A 119 -0.612 1.001 7.313 1.00 0.00 C ATOM 1849 OG SER A 119 -0.930 0.354 8.542 1.00 0.00 O ATOM 0 H SER A 119 -0.352 0.603 4.844 1.00 0.00 H new ATOM 0 HA SER A 119 1.501 1.021 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.475 2.068 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.448 0.897 6.621 1.00 0.00 H new ATOM 0 HG SER A 119 -1.742 0.751 8.920 1.00 0.00 H new