USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 462 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 46 GLN : amide:sc= -5.69! C(o=-4.5!,f=-13!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -125:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 24 THR OG1 : rot 108:sc= 1.06 USER MOD Set 2.2: A 33 THR OG1 : rot 88:sc= 0.91 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= -0.27 (180deg=-0.351) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.31! C(o=-2.3!,f=-5.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.239 USER MOD Single : A 53 GLN : amide:sc= 0.997 K(o=1,f=-7.4!) USER MOD Single : A 56 LYS NZ :NH3+ -129:sc=-0.00442 (180deg=-3.58!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.952 USER MOD Single : A 59 GLN : amide:sc= 1.18 K(o=1.2,f=-0.044) USER MOD Single : A 60 GLN : amide:sc= -1.4 K(o=-1.4,f=-6.7!) USER MOD Single : A 69 THR OG1 : rot -24:sc= 0.786 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -3.94! USER MOD Single : A 84 ASN : amide:sc= 1.27 K(o=1.3,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 20 -10.136 0.481 -6.243 1.00 0.00 N ATOM 29 CA LEU A 20 -9.539 -0.679 -5.606 1.00 0.00 C ATOM 30 C LEU A 20 -9.400 -0.417 -4.116 1.00 0.00 C ATOM 31 O LEU A 20 -8.711 0.514 -3.717 1.00 0.00 O ATOM 32 CB LEU A 20 -8.171 -0.969 -6.228 1.00 0.00 C ATOM 33 CG LEU A 20 -7.575 -2.333 -5.886 1.00 0.00 C ATOM 34 CD1 LEU A 20 -8.457 -3.444 -6.433 1.00 0.00 C ATOM 35 CD2 LEU A 20 -6.163 -2.448 -6.437 1.00 0.00 C ATOM 0 HA LEU A 20 -10.178 -1.549 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.259 -0.891 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.473 -0.195 -5.908 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.527 -2.432 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.021 -4.411 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.451 -3.369 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.532 -3.349 -7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.752 -3.426 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.185 -2.332 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.538 -1.669 -6.001 1.00 0.00 H new ATOM 47 N LYS A 21 -10.080 -1.213 -3.300 1.00 0.00 N ATOM 48 CA LYS A 21 -10.092 -0.995 -1.864 1.00 0.00 C ATOM 49 C LYS A 21 -8.860 -1.594 -1.201 1.00 0.00 C ATOM 50 O LYS A 21 -8.673 -2.814 -1.180 1.00 0.00 O ATOM 51 CB LYS A 21 -11.353 -1.604 -1.274 1.00 0.00 C ATOM 52 CG LYS A 21 -12.613 -1.113 -1.958 1.00 0.00 C ATOM 53 CD LYS A 21 -13.829 -1.879 -1.496 1.00 0.00 C ATOM 54 CE LYS A 21 -13.815 -3.311 -1.997 1.00 0.00 C ATOM 55 NZ LYS A 21 -13.577 -3.393 -3.466 1.00 0.00 N ATOM 0 H LYS A 21 -10.629 -2.014 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.078 0.079 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.300 -2.690 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.404 -1.366 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.750 -0.052 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.506 -1.216 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.869 -1.875 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.730 -1.379 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.039 -3.869 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.766 -3.787 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.693 -4.377 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.260 -2.787 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.611 -3.073 -3.680 1.00 0.00 H new ATOM 69 N CYS A 22 -8.034 -0.729 -0.646 1.00 0.00 N ATOM 70 CA CYS A 22 -6.816 -1.162 0.002 1.00 0.00 C ATOM 71 C CYS A 22 -6.904 -0.892 1.500 1.00 0.00 C ATOM 72 O CYS A 22 -7.756 -0.119 1.952 1.00 0.00 O ATOM 73 CB CYS A 22 -5.617 -0.429 -0.598 1.00 0.00 C ATOM 74 SG CYS A 22 -5.669 -0.284 -2.416 1.00 0.00 S ATOM 0 H CYS A 22 -8.186 0.279 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 22 -6.687 -2.233 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.562 0.570 -0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.704 -0.951 -0.311 1.00 0.00 H new ATOM 79 N PHE A 23 -6.042 -1.543 2.265 1.00 0.00 N ATOM 80 CA PHE A 23 -5.984 -1.310 3.696 1.00 0.00 C ATOM 81 C PHE A 23 -5.213 -0.036 4.000 1.00 0.00 C ATOM 82 O PHE A 23 -4.190 0.243 3.371 1.00 0.00 O ATOM 83 CB PHE A 23 -5.325 -2.489 4.414 1.00 0.00 C ATOM 84 CG PHE A 23 -6.247 -3.646 4.660 1.00 0.00 C ATOM 85 CD1 PHE A 23 -6.546 -4.544 3.653 1.00 0.00 C ATOM 86 CD2 PHE A 23 -6.810 -3.835 5.910 1.00 0.00 C ATOM 87 CE1 PHE A 23 -7.391 -5.610 3.890 1.00 0.00 C ATOM 88 CE2 PHE A 23 -7.654 -4.899 6.152 1.00 0.00 C ATOM 89 CZ PHE A 23 -7.946 -5.788 5.140 1.00 0.00 C ATOM 0 H PHE A 23 -5.376 -2.234 1.919 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.007 -1.204 4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.477 -2.833 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.929 -2.144 5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.115 -4.411 2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.586 -3.141 6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.618 -6.305 3.095 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.085 -5.035 7.133 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.607 -6.621 5.325 1.00 0.00 H new ATOM 99 N THR A 24 -5.721 0.725 4.951 1.00 0.00 N ATOM 100 CA THR A 24 -5.050 1.926 5.416 1.00 0.00 C ATOM 101 C THR A 24 -4.947 1.889 6.939 1.00 0.00 C ATOM 102 O THR A 24 -5.925 1.586 7.622 1.00 0.00 O ATOM 103 CB THR A 24 -5.816 3.193 4.971 1.00 0.00 C ATOM 104 OG1 THR A 24 -6.032 3.161 3.552 1.00 0.00 O ATOM 105 CG2 THR A 24 -5.044 4.455 5.336 1.00 0.00 C ATOM 0 H THR A 24 -6.605 0.531 5.421 1.00 0.00 H new ATOM 0 HA THR A 24 -4.052 1.962 4.979 1.00 0.00 H new ATOM 0 HB THR A 24 -6.774 3.208 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.979 2.987 3.369 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.605 5.331 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.901 4.495 6.416 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.073 4.443 4.842 1.00 0.00 H new ATOM 113 N ARG A 25 -3.761 2.162 7.472 1.00 0.00 N ATOM 114 CA ARG A 25 -3.576 2.079 8.916 1.00 0.00 C ATOM 115 C ARG A 25 -3.908 3.394 9.603 1.00 0.00 C ATOM 116 O ARG A 25 -3.201 4.389 9.441 1.00 0.00 O ATOM 117 CB ARG A 25 -2.153 1.657 9.267 1.00 0.00 C ATOM 118 CG ARG A 25 -1.848 0.228 8.874 1.00 0.00 C ATOM 119 CD ARG A 25 -0.477 -0.204 9.353 1.00 0.00 C ATOM 120 NE ARG A 25 -0.439 -0.486 10.791 1.00 0.00 N ATOM 121 CZ ARG A 25 0.417 -1.342 11.352 1.00 0.00 C ATOM 122 NH1 ARG A 25 1.275 -2.003 10.588 1.00 0.00 N ATOM 123 NH2 ARG A 25 0.412 -1.544 12.666 1.00 0.00 N ATOM 0 H ARG A 25 -2.933 2.436 6.943 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.268 1.319 9.279 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.449 2.323 8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.999 1.774 10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.605 -0.434 9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.903 0.129 7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.170 -1.095 8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.246 0.578 9.122 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.103 -0.002 11.395 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.278 -1.856 9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.933 -2.659 11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.251 -1.042 13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.071 -2.201 13.084 1.00 0.00 H new ATOM 182 N ARG A 30 -5.481 -1.783 10.673 1.00 0.00 N ATOM 183 CA ARG A 30 -5.563 -1.532 9.252 1.00 0.00 C ATOM 184 C ARG A 30 -6.997 -1.742 8.785 1.00 0.00 C ATOM 185 O ARG A 30 -7.524 -2.854 8.830 1.00 0.00 O ATOM 186 CB ARG A 30 -4.573 -2.431 8.497 1.00 0.00 C ATOM 187 CG ARG A 30 -4.752 -3.921 8.753 1.00 0.00 C ATOM 188 CD ARG A 30 -3.475 -4.695 8.460 1.00 0.00 C ATOM 189 NE ARG A 30 -2.482 -4.523 9.521 1.00 0.00 N ATOM 190 CZ ARG A 30 -1.173 -4.766 9.383 1.00 0.00 C ATOM 191 NH1 ARG A 30 -0.670 -5.143 8.214 1.00 0.00 N ATOM 192 NH2 ARG A 30 -0.363 -4.621 10.424 1.00 0.00 N ATOM 0 HA ARG A 30 -5.286 -0.499 9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.674 -2.244 7.428 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.558 -2.147 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.045 -4.080 9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.561 -4.303 8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.709 -5.754 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.056 -4.360 7.511 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.810 -4.195 10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.283 -5.251 7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.330 -5.325 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.739 -4.325 11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.635 -4.805 10.323 1.00 0.00 H new ATOM 206 N THR A 31 -7.624 -0.665 8.357 1.00 0.00 N ATOM 207 CA THR A 31 -9.024 -0.711 7.987 1.00 0.00 C ATOM 208 C THR A 31 -9.180 -0.787 6.469 1.00 0.00 C ATOM 209 O THR A 31 -8.374 -0.222 5.725 1.00 0.00 O ATOM 210 CB THR A 31 -9.758 0.539 8.516 1.00 0.00 C ATOM 211 OG1 THR A 31 -9.370 0.806 9.872 1.00 0.00 O ATOM 212 CG2 THR A 31 -11.267 0.356 8.452 1.00 0.00 C ATOM 0 H THR A 31 -7.187 0.251 8.257 1.00 0.00 H new ATOM 0 HA THR A 31 -9.462 -1.604 8.433 1.00 0.00 H new ATOM 0 HB THR A 31 -9.480 1.381 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.841 1.602 10.196 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.759 1.252 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.569 0.186 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.556 -0.501 9.060 1.00 0.00 H new ATOM 220 N VAL A 32 -10.199 -1.511 6.012 1.00 0.00 N ATOM 221 CA VAL A 32 -10.516 -1.541 4.591 1.00 0.00 C ATOM 222 C VAL A 32 -11.131 -0.218 4.172 1.00 0.00 C ATOM 223 O VAL A 32 -12.273 0.082 4.519 1.00 0.00 O ATOM 224 CB VAL A 32 -11.509 -2.668 4.227 1.00 0.00 C ATOM 225 CG1 VAL A 32 -11.873 -2.609 2.749 1.00 0.00 C ATOM 226 CG2 VAL A 32 -10.943 -4.031 4.572 1.00 0.00 C ATOM 0 H VAL A 32 -10.811 -2.078 6.599 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.578 -1.725 4.067 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.413 -2.515 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.573 -3.411 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.335 -1.647 2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.972 -2.726 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.664 -4.803 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.018 -4.191 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.739 -4.080 5.642 1.00 0.00 H new ATOM 236 N THR A 33 -10.374 0.579 3.452 1.00 0.00 N ATOM 237 CA THR A 33 -10.913 1.811 2.930 1.00 0.00 C ATOM 238 C THR A 33 -11.196 1.676 1.450 1.00 0.00 C ATOM 239 O THR A 33 -10.407 1.094 0.705 1.00 0.00 O ATOM 240 CB THR A 33 -9.968 2.999 3.156 1.00 0.00 C ATOM 241 OG1 THR A 33 -8.649 2.686 2.682 1.00 0.00 O ATOM 242 CG2 THR A 33 -9.908 3.371 4.629 1.00 0.00 C ATOM 0 H THR A 33 -9.398 0.399 3.218 1.00 0.00 H new ATOM 0 HA THR A 33 -11.839 2.006 3.471 1.00 0.00 H new ATOM 0 HB THR A 33 -10.357 3.850 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.577 2.924 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.232 4.215 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.904 3.645 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.545 2.520 5.205 1.00 0.00 H new ATOM 250 N THR A 34 -12.331 2.192 1.031 1.00 0.00 N ATOM 251 CA THR A 34 -12.653 2.188 -0.374 1.00 0.00 C ATOM 252 C THR A 34 -12.053 3.419 -1.033 1.00 0.00 C ATOM 253 O THR A 34 -12.446 4.553 -0.761 1.00 0.00 O ATOM 254 CB THR A 34 -14.178 2.112 -0.592 1.00 0.00 C ATOM 255 OG1 THR A 34 -14.512 2.375 -1.960 1.00 0.00 O ATOM 256 CG2 THR A 34 -14.901 3.081 0.327 1.00 0.00 C ATOM 0 H THR A 34 -13.036 2.614 1.636 1.00 0.00 H new ATOM 0 HA THR A 34 -12.222 1.301 -0.838 1.00 0.00 H new ATOM 0 HB THR A 34 -14.503 1.100 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.484 2.320 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.975 3.011 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.681 2.831 1.365 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.566 4.097 0.120 1.00 0.00 H new ATOM 264 N CYS A 35 -11.073 3.181 -1.880 1.00 0.00 N ATOM 265 CA CYS A 35 -10.302 4.252 -2.474 1.00 0.00 C ATOM 266 C CYS A 35 -10.959 4.714 -3.769 1.00 0.00 C ATOM 267 O CYS A 35 -11.932 4.115 -4.218 1.00 0.00 O ATOM 268 CB CYS A 35 -8.877 3.743 -2.692 1.00 0.00 C ATOM 269 SG CYS A 35 -8.473 2.351 -1.589 1.00 0.00 S ATOM 0 H CYS A 35 -10.790 2.246 -2.174 1.00 0.00 H new ATOM 0 HA CYS A 35 -10.266 5.121 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.759 3.430 -3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.172 4.556 -2.522 1.00 0.00 H new ATOM 274 N ALA A 36 -10.450 5.786 -4.354 1.00 0.00 N ATOM 275 CA ALA A 36 -11.084 6.347 -5.538 1.00 0.00 C ATOM 276 C ALA A 36 -10.687 5.577 -6.791 1.00 0.00 C ATOM 277 O ALA A 36 -9.735 4.796 -6.770 1.00 0.00 O ATOM 278 CB ALA A 36 -10.720 7.818 -5.680 1.00 0.00 C ATOM 0 H ALA A 36 -9.615 6.278 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.164 6.260 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.200 8.227 -6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.061 8.364 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.639 7.918 -5.773 1.00 0.00 H new ATOM 284 N GLU A 37 -11.421 5.821 -7.881 1.00 0.00 N ATOM 285 CA GLU A 37 -11.124 5.225 -9.183 1.00 0.00 C ATOM 286 C GLU A 37 -9.669 5.450 -9.578 1.00 0.00 C ATOM 287 O GLU A 37 -9.089 4.672 -10.333 1.00 0.00 O ATOM 288 CB GLU A 37 -12.035 5.845 -10.243 1.00 0.00 C ATOM 289 CG GLU A 37 -13.469 5.345 -10.200 1.00 0.00 C ATOM 290 CD GLU A 37 -13.585 3.914 -10.678 1.00 0.00 C ATOM 291 OE1 GLU A 37 -13.176 3.636 -11.825 1.00 0.00 O ATOM 292 OE2 GLU A 37 -14.051 3.057 -9.906 1.00 0.00 O ATOM 0 H GLU A 37 -12.235 6.436 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.298 4.151 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.035 6.928 -10.118 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.619 5.639 -11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.848 5.419 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.095 5.986 -10.820 1.00 0.00 H new ATOM 299 N GLU A 38 -9.097 6.528 -9.058 1.00 0.00 N ATOM 300 CA GLU A 38 -7.717 6.880 -9.336 1.00 0.00 C ATOM 301 C GLU A 38 -6.761 5.800 -8.823 1.00 0.00 C ATOM 302 O GLU A 38 -5.781 5.459 -9.489 1.00 0.00 O ATOM 303 CB GLU A 38 -7.396 8.225 -8.686 1.00 0.00 C ATOM 304 CG GLU A 38 -6.048 8.791 -9.084 1.00 0.00 C ATOM 305 CD GLU A 38 -5.643 9.972 -8.230 1.00 0.00 C ATOM 306 OE1 GLU A 38 -6.055 11.104 -8.547 1.00 0.00 O ATOM 307 OE2 GLU A 38 -4.921 9.757 -7.234 1.00 0.00 O ATOM 0 H GLU A 38 -9.576 7.178 -8.435 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.585 6.957 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.173 8.941 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.426 8.111 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.291 8.011 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.080 9.096 -10.130 1.00 0.00 H new ATOM 314 N GLN A 39 -7.053 5.244 -7.645 1.00 0.00 N ATOM 315 CA GLN A 39 -6.159 4.226 -7.105 1.00 0.00 C ATOM 316 C GLN A 39 -6.475 2.885 -7.733 1.00 0.00 C ATOM 317 O GLN A 39 -7.441 2.222 -7.360 1.00 0.00 O ATOM 318 CB GLN A 39 -6.260 4.075 -5.583 1.00 0.00 C ATOM 319 CG GLN A 39 -6.221 5.363 -4.782 1.00 0.00 C ATOM 320 CD GLN A 39 -5.197 6.371 -5.240 1.00 0.00 C ATOM 321 OE1 GLN A 39 -4.034 6.331 -4.865 1.00 0.00 O ATOM 322 NE2 GLN A 39 -5.671 7.321 -6.001 1.00 0.00 N ATOM 0 H GLN A 39 -7.865 5.470 -7.070 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.146 4.552 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.189 3.554 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.443 3.436 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.207 5.827 -4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.025 5.118 -3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.651 7.306 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.062 8.078 -6.311 1.00 0.00 H new ATOM 331 N THR A 40 -5.673 2.507 -8.700 1.00 0.00 N ATOM 332 CA THR A 40 -5.808 1.206 -9.317 1.00 0.00 C ATOM 333 C THR A 40 -4.750 0.255 -8.768 1.00 0.00 C ATOM 334 O THR A 40 -4.404 -0.755 -9.388 1.00 0.00 O ATOM 335 CB THR A 40 -5.680 1.341 -10.840 1.00 0.00 C ATOM 336 OG1 THR A 40 -4.842 2.469 -11.152 1.00 0.00 O ATOM 337 CG2 THR A 40 -7.046 1.521 -11.484 1.00 0.00 C ATOM 0 H THR A 40 -4.919 3.081 -9.078 1.00 0.00 H new ATOM 0 HA THR A 40 -6.791 0.795 -9.085 1.00 0.00 H new ATOM 0 HB THR A 40 -5.232 0.429 -11.235 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.758 2.555 -12.125 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.930 1.615 -12.564 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.671 0.656 -11.260 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.518 2.421 -11.091 1.00 0.00 H new ATOM 345 N ARG A 41 -4.244 0.594 -7.588 1.00 0.00 N ATOM 346 CA ARG A 41 -3.180 -0.156 -6.959 1.00 0.00 C ATOM 347 C ARG A 41 -3.270 -0.005 -5.438 1.00 0.00 C ATOM 348 O ARG A 41 -4.107 0.739 -4.927 1.00 0.00 O ATOM 349 CB ARG A 41 -1.836 0.374 -7.455 1.00 0.00 C ATOM 350 CG ARG A 41 -0.714 -0.622 -7.441 1.00 0.00 C ATOM 351 CD ARG A 41 -1.017 -1.863 -8.262 1.00 0.00 C ATOM 352 NE ARG A 41 0.217 -2.528 -8.695 1.00 0.00 N ATOM 353 CZ ARG A 41 0.677 -2.537 -9.947 1.00 0.00 C ATOM 354 NH1 ARG A 41 -0.015 -1.961 -10.922 1.00 0.00 N ATOM 355 NH2 ARG A 41 1.832 -3.135 -10.221 1.00 0.00 N ATOM 0 H ARG A 41 -4.564 1.397 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.273 -1.211 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.962 0.742 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.551 1.228 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.190 -0.149 -7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.507 -0.915 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.618 -2.555 -7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.611 -1.589 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 41 0.763 -3.019 -7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.905 -1.507 -10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.343 -1.972 -11.877 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.363 -3.585 -9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.187 -3.144 -11.177 1.00 0.00 H new ATOM 369 N CYS A 42 -2.378 -0.682 -4.738 1.00 0.00 N ATOM 370 CA CYS A 42 -2.346 -0.619 -3.281 1.00 0.00 C ATOM 371 C CYS A 42 -0.899 -0.604 -2.819 1.00 0.00 C ATOM 372 O CYS A 42 -0.094 -1.410 -3.277 1.00 0.00 O ATOM 373 CB CYS A 42 -3.062 -1.817 -2.639 1.00 0.00 C ATOM 374 SG CYS A 42 -4.816 -1.997 -3.094 1.00 0.00 S ATOM 0 H CYS A 42 -1.665 -1.283 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.865 0.289 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.534 -2.729 -2.918 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.991 -1.726 -1.555 1.00 0.00 H new ATOM 379 N LEU A 43 -0.563 0.309 -1.928 1.00 0.00 N ATOM 380 CA LEU A 43 0.805 0.414 -1.446 1.00 0.00 C ATOM 381 C LEU A 43 0.964 -0.371 -0.147 1.00 0.00 C ATOM 382 O LEU A 43 0.151 -0.237 0.772 1.00 0.00 O ATOM 383 CB LEU A 43 1.164 1.885 -1.204 1.00 0.00 C ATOM 384 CG LEU A 43 2.626 2.292 -1.460 1.00 0.00 C ATOM 385 CD1 LEU A 43 2.919 3.643 -0.831 1.00 0.00 C ATOM 386 CD2 LEU A 43 3.609 1.251 -0.956 1.00 0.00 C ATOM 0 H LEU A 43 -1.211 0.985 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 43 1.475 -0.000 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.524 2.500 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.919 2.129 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 43 2.755 2.364 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.957 3.916 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.261 4.396 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.750 3.588 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.627 1.583 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.479 1.117 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.428 0.304 -1.464 1.00 0.00 H new ATOM 398 N PHE A 44 1.992 -1.203 -0.095 1.00 0.00 N ATOM 399 CA PHE A 44 2.394 -1.861 1.136 1.00 0.00 C ATOM 400 C PHE A 44 3.919 -1.883 1.239 1.00 0.00 C ATOM 401 O PHE A 44 4.597 -2.520 0.434 1.00 0.00 O ATOM 402 CB PHE A 44 1.827 -3.285 1.217 1.00 0.00 C ATOM 403 CG PHE A 44 2.472 -4.118 2.290 1.00 0.00 C ATOM 404 CD1 PHE A 44 2.457 -3.709 3.615 1.00 0.00 C ATOM 405 CD2 PHE A 44 3.123 -5.294 1.964 1.00 0.00 C ATOM 406 CE1 PHE A 44 3.089 -4.457 4.591 1.00 0.00 C ATOM 407 CE2 PHE A 44 3.745 -6.049 2.935 1.00 0.00 C ATOM 408 CZ PHE A 44 3.735 -5.629 4.248 1.00 0.00 C ATOM 0 H PHE A 44 2.569 -1.440 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 44 1.988 -1.296 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.754 -3.232 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.960 -3.778 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.947 -2.797 3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.144 -5.625 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.078 -4.126 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.241 -6.970 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.231 -6.215 5.007 1.00 0.00 H new ATOM 418 N VAL A 45 4.447 -1.159 2.213 1.00 0.00 N ATOM 419 CA VAL A 45 5.886 -1.156 2.460 1.00 0.00 C ATOM 420 C VAL A 45 6.179 -1.908 3.753 1.00 0.00 C ATOM 421 O VAL A 45 5.492 -1.699 4.755 1.00 0.00 O ATOM 422 CB VAL A 45 6.449 0.286 2.574 1.00 0.00 C ATOM 423 CG1 VAL A 45 7.969 0.278 2.646 1.00 0.00 C ATOM 424 CG2 VAL A 45 5.973 1.153 1.417 1.00 0.00 C ATOM 0 H VAL A 45 3.907 -0.568 2.844 1.00 0.00 H new ATOM 0 HA VAL A 45 6.370 -1.643 1.614 1.00 0.00 H new ATOM 0 HB VAL A 45 6.068 0.716 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.335 1.302 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.289 -0.290 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.374 -0.183 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.383 2.158 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.311 0.721 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.884 1.203 1.423 1.00 0.00 H new ATOM 434 N GLN A 46 7.174 -2.792 3.733 1.00 0.00 N ATOM 435 CA GLN A 46 7.532 -3.493 4.958 1.00 0.00 C ATOM 436 C GLN A 46 8.587 -2.716 5.725 1.00 0.00 C ATOM 437 O GLN A 46 9.581 -2.266 5.154 1.00 0.00 O ATOM 438 CB GLN A 46 8.025 -4.919 4.725 1.00 0.00 C ATOM 439 CG GLN A 46 8.720 -5.130 3.411 1.00 0.00 C ATOM 440 CD GLN A 46 7.767 -5.560 2.330 1.00 0.00 C ATOM 441 OE1 GLN A 46 8.145 -6.236 1.373 1.00 0.00 O ATOM 442 NE2 GLN A 46 6.522 -5.160 2.483 1.00 0.00 N ATOM 0 H GLN A 46 7.728 -3.033 2.911 1.00 0.00 H new ATOM 0 HA GLN A 46 6.613 -3.563 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.708 -5.190 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.175 -5.598 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.215 -4.207 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.497 -5.885 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.262 -4.601 3.296 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.817 -5.409 1.789 1.00 0.00 H new ATOM 451 N LEU A 47 8.359 -2.554 7.014 1.00 0.00 N ATOM 452 CA LEU A 47 9.296 -1.830 7.857 1.00 0.00 C ATOM 453 C LEU A 47 9.775 -2.751 8.970 1.00 0.00 C ATOM 454 O LEU A 47 9.056 -3.663 9.367 1.00 0.00 O ATOM 455 CB LEU A 47 8.647 -0.574 8.469 1.00 0.00 C ATOM 456 CG LEU A 47 8.365 0.602 7.522 1.00 0.00 C ATOM 457 CD1 LEU A 47 9.650 1.097 6.877 1.00 0.00 C ATOM 458 CD2 LEU A 47 7.343 0.235 6.462 1.00 0.00 C ATOM 0 H LEU A 47 7.537 -2.912 7.501 1.00 0.00 H new ATOM 0 HA LEU A 47 10.137 -1.508 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.705 -0.871 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.294 -0.215 9.270 1.00 0.00 H new ATOM 0 HG LEU A 47 7.944 1.409 8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.425 1.930 6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.342 1.428 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.105 0.288 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.170 1.092 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.717 -0.600 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.407 -0.051 6.942 1.00 0.00 H new ATOM 470 N PRO A 48 10.992 -2.533 9.487 1.00 0.00 N ATOM 471 CA PRO A 48 11.549 -3.358 10.565 1.00 0.00 C ATOM 472 C PRO A 48 10.788 -3.201 11.882 1.00 0.00 C ATOM 473 O PRO A 48 10.917 -4.029 12.780 1.00 0.00 O ATOM 474 CB PRO A 48 12.987 -2.838 10.720 1.00 0.00 C ATOM 475 CG PRO A 48 13.258 -2.054 9.481 1.00 0.00 C ATOM 476 CD PRO A 48 11.934 -1.493 9.053 1.00 0.00 C ATOM 0 HA PRO A 48 11.487 -4.419 10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.086 -2.215 11.609 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.693 -3.661 10.827 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.977 -1.257 9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.684 -2.688 8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.727 -0.534 9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.891 -1.331 7.976 1.00 0.00 H new ATOM 484 N TYR A 49 10.001 -2.134 11.993 1.00 0.00 N ATOM 485 CA TYR A 49 9.278 -1.859 13.233 1.00 0.00 C ATOM 486 C TYR A 49 7.828 -1.469 12.961 1.00 0.00 C ATOM 487 O TYR A 49 7.056 -1.242 13.892 1.00 0.00 O ATOM 488 CB TYR A 49 9.965 -0.731 14.009 1.00 0.00 C ATOM 489 CG TYR A 49 11.413 -1.011 14.352 1.00 0.00 C ATOM 490 CD1 TYR A 49 11.749 -1.836 15.417 1.00 0.00 C ATOM 491 CD2 TYR A 49 12.442 -0.451 13.605 1.00 0.00 C ATOM 492 CE1 TYR A 49 13.069 -2.094 15.730 1.00 0.00 C ATOM 493 CE2 TYR A 49 13.765 -0.705 13.911 1.00 0.00 C ATOM 494 CZ TYR A 49 14.073 -1.526 14.974 1.00 0.00 C ATOM 495 OH TYR A 49 15.389 -1.782 15.281 1.00 0.00 O ATOM 0 H TYR A 49 9.848 -1.453 11.250 1.00 0.00 H new ATOM 0 HA TYR A 49 9.286 -2.774 13.825 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.913 0.185 13.421 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.413 -0.550 14.931 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.965 -2.283 16.010 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.204 0.193 12.772 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.314 -2.737 16.562 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.554 -0.263 13.320 1.00 0.00 H new ATOM 0 HH TYR A 49 15.970 -1.307 14.651 1.00 0.00 H new ATOM 505 N SER A 50 7.456 -1.387 11.690 1.00 0.00 N ATOM 506 CA SER A 50 6.120 -0.910 11.342 1.00 0.00 C ATOM 507 C SER A 50 5.732 -1.400 9.951 1.00 0.00 C ATOM 508 O SER A 50 6.402 -2.264 9.387 1.00 0.00 O ATOM 509 CB SER A 50 6.078 0.623 11.386 1.00 0.00 C ATOM 510 OG SER A 50 6.413 1.115 12.672 1.00 0.00 O ATOM 0 H SER A 50 8.045 -1.638 10.896 1.00 0.00 H new ATOM 0 HA SER A 50 5.409 -1.305 12.067 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.771 1.028 10.648 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.081 0.969 11.111 1.00 0.00 H new ATOM 0 HG SER A 50 6.379 2.094 12.667 1.00 0.00 H new ATOM 516 N GLU A 51 4.648 -0.856 9.407 1.00 0.00 N ATOM 517 CA GLU A 51 4.220 -1.177 8.051 1.00 0.00 C ATOM 518 C GLU A 51 3.567 0.044 7.417 1.00 0.00 C ATOM 519 O GLU A 51 2.949 0.848 8.114 1.00 0.00 O ATOM 520 CB GLU A 51 3.209 -2.330 8.050 1.00 0.00 C ATOM 521 CG GLU A 51 3.724 -3.633 8.640 1.00 0.00 C ATOM 522 CD GLU A 51 2.596 -4.520 9.124 1.00 0.00 C ATOM 523 OE1 GLU A 51 1.977 -5.215 8.296 1.00 0.00 O ATOM 524 OE2 GLU A 51 2.300 -4.494 10.339 1.00 0.00 O ATOM 0 H GLU A 51 4.047 -0.187 9.888 1.00 0.00 H new ATOM 0 HA GLU A 51 5.100 -1.476 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.325 -2.020 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.890 -2.514 7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.308 -4.166 7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.396 -3.415 9.470 1.00 0.00 H new ATOM 531 N ILE A 52 3.709 0.183 6.107 1.00 0.00 N ATOM 532 CA ILE A 52 3.046 1.259 5.381 1.00 0.00 C ATOM 533 C ILE A 52 1.929 0.697 4.518 1.00 0.00 C ATOM 534 O ILE A 52 2.146 -0.253 3.763 1.00 0.00 O ATOM 535 CB ILE A 52 4.027 2.038 4.490 1.00 0.00 C ATOM 536 CG1 ILE A 52 5.066 2.748 5.345 1.00 0.00 C ATOM 537 CG2 ILE A 52 3.297 3.037 3.604 1.00 0.00 C ATOM 538 CD1 ILE A 52 4.476 3.597 6.448 1.00 0.00 C ATOM 0 H ILE A 52 4.276 -0.434 5.525 1.00 0.00 H new ATOM 0 HA ILE A 52 2.637 1.946 6.123 1.00 0.00 H new ATOM 0 HB ILE A 52 4.532 1.323 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.728 2.004 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.680 3.379 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.019 3.571 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.592 2.508 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.756 3.749 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.280 4.070 7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.837 4.366 6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.885 2.968 7.115 1.00 0.00 H new ATOM 550 N GLN A 53 0.744 1.274 4.637 1.00 0.00 N ATOM 551 CA GLN A 53 -0.381 0.808 3.837 1.00 0.00 C ATOM 552 C GLN A 53 -1.220 1.992 3.368 1.00 0.00 C ATOM 553 O GLN A 53 -1.608 2.843 4.169 1.00 0.00 O ATOM 554 CB GLN A 53 -1.261 -0.158 4.640 1.00 0.00 C ATOM 555 CG GLN A 53 -0.538 -1.404 5.129 1.00 0.00 C ATOM 556 CD GLN A 53 -1.463 -2.363 5.850 1.00 0.00 C ATOM 557 OE1 GLN A 53 -1.653 -2.273 7.060 1.00 0.00 O ATOM 558 NE2 GLN A 53 -2.032 -3.301 5.115 1.00 0.00 N ATOM 0 H GLN A 53 0.536 2.050 5.266 1.00 0.00 H new ATOM 0 HA GLN A 53 0.017 0.280 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.670 0.372 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.105 -0.461 4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.082 -1.913 4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.271 -1.112 5.798 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.850 -3.344 4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.654 -3.983 5.550 1.00 0.00 H new ATOM 567 N GLU A 54 -1.509 2.022 2.072 1.00 0.00 N ATOM 568 CA GLU A 54 -2.292 3.101 1.473 1.00 0.00 C ATOM 569 C GLU A 54 -2.837 2.680 0.120 1.00 0.00 C ATOM 570 O GLU A 54 -2.314 1.760 -0.509 1.00 0.00 O ATOM 571 CB GLU A 54 -1.445 4.371 1.279 1.00 0.00 C ATOM 572 CG GLU A 54 0.055 4.131 1.258 1.00 0.00 C ATOM 573 CD GLU A 54 0.791 5.118 2.136 1.00 0.00 C ATOM 574 OE1 GLU A 54 0.886 4.878 3.349 1.00 0.00 O ATOM 575 OE2 GLU A 54 1.243 6.150 1.605 1.00 0.00 O ATOM 0 H GLU A 54 -1.211 1.306 1.410 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.112 3.316 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.737 4.848 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.677 5.073 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.266 3.116 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.422 4.210 0.235 1.00 0.00 H new ATOM 582 N CYS A 55 -3.893 3.345 -0.315 1.00 0.00 N ATOM 583 CA CYS A 55 -4.315 3.230 -1.699 1.00 0.00 C ATOM 584 C CYS A 55 -3.440 4.135 -2.526 1.00 0.00 C ATOM 585 O CYS A 55 -3.405 5.345 -2.301 1.00 0.00 O ATOM 586 CB CYS A 55 -5.781 3.653 -1.856 1.00 0.00 C ATOM 587 SG CYS A 55 -6.862 2.984 -0.560 1.00 0.00 S ATOM 0 H CYS A 55 -4.466 3.962 0.261 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.224 2.194 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.841 4.741 -1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.145 3.324 -2.829 1.00 0.00 H new ATOM 592 N LYS A 56 -2.709 3.549 -3.444 1.00 0.00 N ATOM 593 CA LYS A 56 -1.878 4.339 -4.320 1.00 0.00 C ATOM 594 C LYS A 56 -2.246 4.019 -5.739 1.00 0.00 C ATOM 595 O LYS A 56 -2.660 2.905 -6.037 1.00 0.00 O ATOM 596 CB LYS A 56 -0.392 4.073 -4.072 1.00 0.00 C ATOM 597 CG LYS A 56 0.316 5.224 -3.372 1.00 0.00 C ATOM 598 CD LYS A 56 -0.404 5.619 -2.097 1.00 0.00 C ATOM 599 CE LYS A 56 0.286 6.769 -1.382 1.00 0.00 C ATOM 600 NZ LYS A 56 -0.374 7.122 -0.100 1.00 0.00 N ATOM 0 H LYS A 56 -2.672 2.542 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.048 5.397 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.287 3.171 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.100 3.879 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.341 4.936 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.371 6.082 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.429 5.903 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.458 4.758 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.325 6.501 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.297 7.643 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.558 8.145 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.274 6.607 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.246 6.862 0.693 1.00 0.00 H new ATOM 614 N THR A 57 -2.131 4.993 -6.607 1.00 0.00 N ATOM 615 CA THR A 57 -2.446 4.753 -7.997 1.00 0.00 C ATOM 616 C THR A 57 -1.391 3.809 -8.574 1.00 0.00 C ATOM 617 O THR A 57 -0.337 3.627 -7.962 1.00 0.00 O ATOM 618 CB THR A 57 -2.480 6.055 -8.825 1.00 0.00 C ATOM 619 OG1 THR A 57 -1.152 6.539 -9.058 1.00 0.00 O ATOM 620 CG2 THR A 57 -3.271 7.124 -8.104 1.00 0.00 C ATOM 0 H THR A 57 -1.828 5.941 -6.385 1.00 0.00 H new ATOM 0 HA THR A 57 -3.442 4.312 -8.051 1.00 0.00 H new ATOM 0 HB THR A 57 -2.958 5.830 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.192 7.364 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.283 8.034 -8.704 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.293 6.778 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.808 7.331 -7.139 1.00 0.00 H new ATOM 628 N VAL A 58 -1.648 3.205 -9.727 1.00 0.00 N ATOM 629 CA VAL A 58 -0.634 2.338 -10.320 1.00 0.00 C ATOM 630 C VAL A 58 0.657 3.127 -10.579 1.00 0.00 C ATOM 631 O VAL A 58 1.755 2.656 -10.281 1.00 0.00 O ATOM 632 CB VAL A 58 -1.120 1.699 -11.642 1.00 0.00 C ATOM 633 CG1 VAL A 58 0.019 0.984 -12.356 1.00 0.00 C ATOM 634 CG2 VAL A 58 -2.259 0.730 -11.382 1.00 0.00 C ATOM 0 H VAL A 58 -2.516 3.292 -10.256 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.440 1.536 -9.607 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.480 2.502 -12.286 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.351 0.544 -13.282 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.810 1.698 -12.584 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.414 0.197 -11.713 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.586 0.292 -12.325 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.919 -0.060 -10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.091 1.262 -10.921 1.00 0.00 H new ATOM 644 N GLN A 59 0.511 4.343 -11.104 1.00 0.00 N ATOM 645 CA GLN A 59 1.678 5.183 -11.372 1.00 0.00 C ATOM 646 C GLN A 59 2.389 5.540 -10.084 1.00 0.00 C ATOM 647 O GLN A 59 3.584 5.300 -9.933 1.00 0.00 O ATOM 648 CB GLN A 59 1.286 6.483 -12.067 1.00 0.00 C ATOM 649 CG GLN A 59 2.467 7.430 -12.231 1.00 0.00 C ATOM 650 CD GLN A 59 2.053 8.823 -12.659 1.00 0.00 C ATOM 651 OE1 GLN A 59 1.858 9.091 -13.843 1.00 0.00 O ATOM 652 NE2 GLN A 59 1.975 9.733 -11.702 1.00 0.00 N ATOM 0 H GLN A 59 -0.386 4.763 -11.348 1.00 0.00 H new ATOM 0 HA GLN A 59 2.336 4.606 -12.022 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.866 6.256 -13.047 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.503 6.978 -11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.010 7.492 -11.288 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.156 7.019 -12.969 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.144 9.468 -10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.746 10.699 -11.935 1.00 0.00 H new ATOM 661 N GLN A 60 1.631 6.108 -9.156 1.00 0.00 N ATOM 662 CA GLN A 60 2.191 6.615 -7.919 1.00 0.00 C ATOM 663 C GLN A 60 2.830 5.494 -7.137 1.00 0.00 C ATOM 664 O GLN A 60 3.818 5.706 -6.479 1.00 0.00 O ATOM 665 CB GLN A 60 1.111 7.306 -7.085 1.00 0.00 C ATOM 666 CG GLN A 60 1.657 8.110 -5.916 1.00 0.00 C ATOM 667 CD GLN A 60 0.568 8.847 -5.163 1.00 0.00 C ATOM 668 OE1 GLN A 60 -0.002 8.329 -4.205 1.00 0.00 O ATOM 669 NE2 GLN A 60 0.272 10.061 -5.595 1.00 0.00 N ATOM 0 H GLN A 60 0.622 6.228 -9.241 1.00 0.00 H new ATOM 0 HA GLN A 60 2.959 7.350 -8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.535 7.968 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.422 6.552 -6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.180 7.442 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.391 8.828 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.770 10.453 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.454 10.605 -5.129 1.00 0.00 H new ATOM 678 N CYS A 61 2.287 4.293 -7.232 1.00 0.00 N ATOM 679 CA CYS A 61 2.874 3.168 -6.521 1.00 0.00 C ATOM 680 C CYS A 61 4.253 2.850 -7.087 1.00 0.00 C ATOM 681 O CYS A 61 5.126 2.411 -6.356 1.00 0.00 O ATOM 682 CB CYS A 61 1.985 1.929 -6.603 1.00 0.00 C ATOM 683 SG CYS A 61 2.364 0.818 -8.005 1.00 0.00 S ATOM 0 H CYS A 61 1.457 4.072 -7.783 1.00 0.00 H new ATOM 0 HA CYS A 61 2.967 3.451 -5.472 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.080 1.367 -5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.945 2.247 -6.678 1.00 0.00 H new ATOM 688 N ALA A 62 4.440 3.049 -8.389 1.00 0.00 N ATOM 689 CA ALA A 62 5.760 2.880 -8.983 1.00 0.00 C ATOM 690 C ALA A 62 6.688 3.998 -8.516 1.00 0.00 C ATOM 691 O ALA A 62 7.853 3.762 -8.188 1.00 0.00 O ATOM 692 CB ALA A 62 5.666 2.856 -10.502 1.00 0.00 C ATOM 0 H ALA A 62 3.707 3.323 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 62 6.172 1.925 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.662 2.729 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.030 2.027 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.238 3.794 -10.855 1.00 0.00 H new ATOM 698 N GLU A 63 6.141 5.209 -8.475 1.00 0.00 N ATOM 699 CA GLU A 63 6.852 6.386 -7.984 1.00 0.00 C ATOM 700 C GLU A 63 7.351 6.155 -6.552 1.00 0.00 C ATOM 701 O GLU A 63 8.544 6.265 -6.253 1.00 0.00 O ATOM 702 CB GLU A 63 5.890 7.585 -8.021 1.00 0.00 C ATOM 703 CG GLU A 63 5.435 7.978 -9.420 1.00 0.00 C ATOM 704 CD GLU A 63 4.467 9.151 -9.419 1.00 0.00 C ATOM 705 OE1 GLU A 63 4.933 10.307 -9.428 1.00 0.00 O ATOM 706 OE2 GLU A 63 3.236 8.917 -9.417 1.00 0.00 O ATOM 0 H GLU A 63 5.188 5.403 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 63 7.719 6.581 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.013 7.351 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.377 8.442 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.307 8.233 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.959 7.121 -9.896 1.00 0.00 H new ATOM 713 N VAL A 64 6.420 5.770 -5.700 1.00 0.00 N ATOM 714 CA VAL A 64 6.658 5.573 -4.308 1.00 0.00 C ATOM 715 C VAL A 64 7.453 4.293 -4.046 1.00 0.00 C ATOM 716 O VAL A 64 8.153 4.169 -3.040 1.00 0.00 O ATOM 717 CB VAL A 64 5.305 5.525 -3.599 1.00 0.00 C ATOM 718 CG1 VAL A 64 4.469 6.759 -3.916 1.00 0.00 C ATOM 719 CG2 VAL A 64 4.579 4.264 -3.955 1.00 0.00 C ATOM 0 H VAL A 64 5.456 5.584 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 64 7.259 6.397 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 64 5.480 5.526 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.513 6.694 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.000 7.652 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.295 6.814 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.617 4.242 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.418 4.228 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.173 3.403 -3.648 1.00 0.00 H new ATOM 729 N LEU A 65 7.316 3.325 -4.939 1.00 0.00 N ATOM 730 CA LEU A 65 8.034 2.075 -4.805 1.00 0.00 C ATOM 731 C LEU A 65 9.522 2.355 -4.804 1.00 0.00 C ATOM 732 O LEU A 65 10.250 1.929 -3.910 1.00 0.00 O ATOM 733 CB LEU A 65 7.693 1.138 -5.967 1.00 0.00 C ATOM 734 CG LEU A 65 7.624 -0.346 -5.613 1.00 0.00 C ATOM 735 CD1 LEU A 65 6.490 -0.596 -4.638 1.00 0.00 C ATOM 736 CD2 LEU A 65 7.438 -1.184 -6.868 1.00 0.00 C ATOM 0 H LEU A 65 6.715 3.384 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 65 7.744 1.595 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.732 1.440 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.438 1.273 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 65 8.563 -0.637 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.449 -1.657 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.658 -0.019 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.547 -0.292 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.391 -2.239 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.512 -0.895 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.278 -1.020 -7.543 1.00 0.00 H new ATOM 748 N GLU A 66 9.958 3.114 -5.794 1.00 0.00 N ATOM 749 CA GLU A 66 11.366 3.395 -5.957 1.00 0.00 C ATOM 750 C GLU A 66 11.872 4.398 -4.939 1.00 0.00 C ATOM 751 O GLU A 66 13.005 4.281 -4.480 1.00 0.00 O ATOM 752 CB GLU A 66 11.662 3.863 -7.384 1.00 0.00 C ATOM 753 CG GLU A 66 13.140 4.081 -7.661 1.00 0.00 C ATOM 754 CD GLU A 66 13.411 4.495 -9.092 1.00 0.00 C ATOM 755 OE1 GLU A 66 13.594 3.599 -9.943 1.00 0.00 O ATOM 756 OE2 GLU A 66 13.444 5.714 -9.364 1.00 0.00 O ATOM 0 H GLU A 66 9.355 3.545 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 66 11.905 2.464 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.275 3.125 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.125 4.793 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.523 4.847 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.686 3.163 -7.443 1.00 0.00 H new ATOM 763 N GLU A 67 11.045 5.364 -4.569 1.00 0.00 N ATOM 764 CA GLU A 67 11.485 6.381 -3.637 1.00 0.00 C ATOM 765 C GLU A 67 11.948 5.741 -2.321 1.00 0.00 C ATOM 766 O GLU A 67 13.021 6.062 -1.815 1.00 0.00 O ATOM 767 CB GLU A 67 10.367 7.378 -3.397 1.00 0.00 C ATOM 768 CG GLU A 67 9.226 6.748 -2.700 1.00 0.00 C ATOM 769 CD GLU A 67 8.143 7.734 -2.311 1.00 0.00 C ATOM 770 OE1 GLU A 67 7.435 8.230 -3.209 1.00 0.00 O ATOM 771 OE2 GLU A 67 8.006 8.011 -1.101 1.00 0.00 O ATOM 0 H GLU A 67 10.083 5.462 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 67 12.335 6.913 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.742 8.212 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.032 7.789 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.795 5.981 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.589 6.246 -1.804 1.00 0.00 H new ATOM 778 N VAL A 68 11.145 4.819 -1.784 1.00 0.00 N ATOM 779 CA VAL A 68 11.497 4.158 -0.533 1.00 0.00 C ATOM 780 C VAL A 68 12.499 3.026 -0.751 1.00 0.00 C ATOM 781 O VAL A 68 13.359 2.783 0.096 1.00 0.00 O ATOM 782 CB VAL A 68 10.257 3.613 0.213 1.00 0.00 C ATOM 783 CG1 VAL A 68 9.328 4.748 0.611 1.00 0.00 C ATOM 784 CG2 VAL A 68 9.514 2.588 -0.630 1.00 0.00 C ATOM 0 H VAL A 68 10.260 4.519 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 68 11.961 4.925 0.088 1.00 0.00 H new ATOM 0 HB VAL A 68 10.605 3.116 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.462 4.343 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.858 5.439 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.997 5.277 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.647 2.223 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.184 3.052 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.178 1.753 -0.857 1.00 0.00 H new ATOM 794 N THR A 69 12.399 2.336 -1.884 1.00 0.00 N ATOM 795 CA THR A 69 13.286 1.211 -2.148 1.00 0.00 C ATOM 796 C THR A 69 14.710 1.689 -2.453 1.00 0.00 C ATOM 797 O THR A 69 15.679 0.966 -2.226 1.00 0.00 O ATOM 798 CB THR A 69 12.729 0.302 -3.270 1.00 0.00 C ATOM 799 OG1 THR A 69 11.538 -0.344 -2.800 1.00 0.00 O ATOM 800 CG2 THR A 69 13.737 -0.757 -3.699 1.00 0.00 C ATOM 0 H THR A 69 11.723 2.533 -2.622 1.00 0.00 H new ATOM 0 HA THR A 69 13.334 0.606 -1.243 1.00 0.00 H new ATOM 0 HB THR A 69 12.515 0.929 -4.136 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.555 -0.389 -1.821 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.305 -1.372 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.639 -0.271 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.989 -1.386 -2.845 1.00 0.00 H new ATOM 808 N ALA A 70 14.837 2.929 -2.912 1.00 0.00 N ATOM 809 CA ALA A 70 16.154 3.523 -3.111 1.00 0.00 C ATOM 810 C ALA A 70 16.813 3.801 -1.763 1.00 0.00 C ATOM 811 O ALA A 70 18.031 3.922 -1.665 1.00 0.00 O ATOM 812 CB ALA A 70 16.051 4.804 -3.925 1.00 0.00 C ATOM 0 H ALA A 70 14.054 3.537 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 70 16.771 2.816 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 70 17.045 5.230 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.615 4.582 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.419 5.519 -3.399 1.00 0.00 H new ATOM 818 N ILE A 71 15.986 3.894 -0.727 1.00 0.00 N ATOM 819 CA ILE A 71 16.469 4.090 0.632 1.00 0.00 C ATOM 820 C ILE A 71 16.777 2.735 1.265 1.00 0.00 C ATOM 821 O ILE A 71 17.511 2.640 2.247 1.00 0.00 O ATOM 822 CB ILE A 71 15.422 4.824 1.500 1.00 0.00 C ATOM 823 CG1 ILE A 71 14.794 5.978 0.717 1.00 0.00 C ATOM 824 CG2 ILE A 71 16.064 5.343 2.780 1.00 0.00 C ATOM 825 CD1 ILE A 71 13.647 6.653 1.439 1.00 0.00 C ATOM 0 H ILE A 71 14.971 3.836 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 71 17.371 4.701 0.585 1.00 0.00 H new ATOM 0 HB ILE A 71 14.637 4.116 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.563 6.720 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.437 5.602 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.314 5.858 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.472 4.507 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.866 6.037 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.253 7.461 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.859 5.925 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 71 14.002 7.060 2.386 1.00 0.00 H new ATOM 837 N GLY A 72 16.206 1.688 0.683 1.00 0.00 N ATOM 838 CA GLY A 72 16.428 0.356 1.206 1.00 0.00 C ATOM 839 C GLY A 72 15.180 -0.233 1.832 1.00 0.00 C ATOM 840 O GLY A 72 15.244 -1.250 2.519 1.00 0.00 O ATOM 0 H GLY A 72 15.598 1.737 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.770 -0.295 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.224 0.388 1.950 1.00 0.00 H new ATOM 844 N TYR A 73 14.039 0.402 1.594 1.00 0.00 N ATOM 845 CA TYR A 73 12.788 -0.065 2.163 1.00 0.00 C ATOM 846 C TYR A 73 11.994 -0.889 1.154 1.00 0.00 C ATOM 847 O TYR A 73 11.627 -0.398 0.084 1.00 0.00 O ATOM 848 CB TYR A 73 11.958 1.118 2.654 1.00 0.00 C ATOM 849 CG TYR A 73 12.578 1.844 3.825 1.00 0.00 C ATOM 850 CD1 TYR A 73 12.813 1.187 5.026 1.00 0.00 C ATOM 851 CD2 TYR A 73 12.925 3.184 3.731 1.00 0.00 C ATOM 852 CE1 TYR A 73 13.379 1.846 6.100 1.00 0.00 C ATOM 853 CE2 TYR A 73 13.492 3.850 4.802 1.00 0.00 C ATOM 854 CZ TYR A 73 13.717 3.177 5.983 1.00 0.00 C ATOM 855 OH TYR A 73 14.279 3.838 7.050 1.00 0.00 O ATOM 0 H TYR A 73 13.957 1.237 1.014 1.00 0.00 H new ATOM 0 HA TYR A 73 13.022 -0.710 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.820 1.821 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.968 0.763 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.549 0.144 5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.750 3.715 2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 73 13.556 1.321 7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.757 4.893 4.713 1.00 0.00 H new ATOM 0 HH TYR A 73 14.458 4.769 6.801 1.00 0.00 H new ATOM 865 N PRO A 74 11.745 -2.164 1.482 1.00 0.00 N ATOM 866 CA PRO A 74 10.957 -3.078 0.647 1.00 0.00 C ATOM 867 C PRO A 74 9.510 -2.637 0.505 1.00 0.00 C ATOM 868 O PRO A 74 8.799 -2.480 1.498 1.00 0.00 O ATOM 869 CB PRO A 74 11.011 -4.391 1.427 1.00 0.00 C ATOM 870 CG PRO A 74 12.219 -4.272 2.268 1.00 0.00 C ATOM 871 CD PRO A 74 12.237 -2.843 2.690 1.00 0.00 C ATOM 0 HA PRO A 74 11.349 -3.134 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.117 -4.529 2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.077 -5.248 0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.172 -4.940 3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.119 -4.533 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.593 -2.663 3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.238 -2.511 2.966 1.00 0.00 H new ATOM 879 N ALA A 75 9.071 -2.457 -0.726 1.00 0.00 N ATOM 880 CA ALA A 75 7.700 -2.038 -0.966 1.00 0.00 C ATOM 881 C ALA A 75 7.060 -2.839 -2.095 1.00 0.00 C ATOM 882 O ALA A 75 7.755 -3.395 -2.945 1.00 0.00 O ATOM 883 CB ALA A 75 7.658 -0.553 -1.284 1.00 0.00 C ATOM 0 H ALA A 75 9.633 -2.592 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 75 7.126 -2.228 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.627 -0.248 -1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.063 0.011 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.254 -0.355 -2.175 1.00 0.00 H new ATOM 889 N LYS A 76 5.733 -2.915 -2.079 1.00 0.00 N ATOM 890 CA LYS A 76 4.978 -3.517 -3.172 1.00 0.00 C ATOM 891 C LYS A 76 3.726 -2.728 -3.473 1.00 0.00 C ATOM 892 O LYS A 76 3.165 -2.059 -2.603 1.00 0.00 O ATOM 893 CB LYS A 76 4.538 -4.962 -2.885 1.00 0.00 C ATOM 894 CG LYS A 76 4.347 -5.301 -1.414 1.00 0.00 C ATOM 895 CD LYS A 76 5.630 -5.794 -0.762 1.00 0.00 C ATOM 896 CE LYS A 76 6.130 -7.078 -1.408 1.00 0.00 C ATOM 897 NZ LYS A 76 7.140 -7.771 -0.563 1.00 0.00 N ATOM 0 H LYS A 76 5.155 -2.564 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 76 5.665 -3.512 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.601 -5.151 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.280 -5.641 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.989 -4.418 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.576 -6.066 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.398 -5.024 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.457 -5.964 0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.287 -7.746 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.567 -6.849 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.007 -7.927 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.360 -7.184 0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.760 -8.687 -0.249 1.00 0.00 H new ATOM 911 N CYS A 77 3.304 -2.808 -4.717 1.00 0.00 N ATOM 912 CA CYS A 77 1.951 -2.459 -5.058 1.00 0.00 C ATOM 913 C CYS A 77 1.327 -3.573 -5.884 1.00 0.00 C ATOM 914 O CYS A 77 1.777 -3.880 -6.990 1.00 0.00 O ATOM 915 CB CYS A 77 1.851 -1.127 -5.798 1.00 0.00 C ATOM 916 SG CYS A 77 3.085 -0.849 -7.098 1.00 0.00 S ATOM 0 H CYS A 77 3.880 -3.111 -5.503 1.00 0.00 H new ATOM 0 HA CYS A 77 1.402 -2.337 -4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.859 -1.055 -6.244 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.932 -0.321 -5.069 1.00 0.00 H new ATOM 921 N CYS A 78 0.307 -4.186 -5.325 1.00 0.00 N ATOM 922 CA CYS A 78 -0.434 -5.221 -6.043 1.00 0.00 C ATOM 923 C CYS A 78 -1.802 -4.700 -6.488 1.00 0.00 C ATOM 924 O CYS A 78 -2.294 -3.707 -5.953 1.00 0.00 O ATOM 925 CB CYS A 78 -0.610 -6.419 -5.118 1.00 0.00 C ATOM 926 SG CYS A 78 -0.949 -5.942 -3.392 1.00 0.00 S ATOM 0 H CYS A 78 -0.033 -3.994 -4.383 1.00 0.00 H new ATOM 0 HA CYS A 78 0.121 -5.511 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.429 -7.038 -5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.291 -7.031 -5.150 1.00 0.00 H new ATOM 931 N CYS A 79 -2.399 -5.344 -7.491 1.00 0.00 N ATOM 932 CA CYS A 79 -3.731 -4.946 -7.931 1.00 0.00 C ATOM 933 C CYS A 79 -4.744 -6.005 -7.522 1.00 0.00 C ATOM 934 O CYS A 79 -4.843 -7.050 -8.164 1.00 0.00 O ATOM 935 CB CYS A 79 -3.802 -4.758 -9.451 1.00 0.00 C ATOM 936 SG CYS A 79 -2.506 -3.734 -10.166 1.00 0.00 S ATOM 0 H CYS A 79 -1.991 -6.126 -8.003 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.958 -3.991 -7.456 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.767 -5.740 -9.923 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.768 -4.318 -9.701 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.676 -3.655 -11.452 1.00 0.00 H new ATOM 942 N GLU A 80 -5.463 -5.722 -6.448 1.00 0.00 N ATOM 943 CA GLU A 80 -6.493 -6.609 -5.916 1.00 0.00 C ATOM 944 C GLU A 80 -6.987 -6.029 -4.605 1.00 0.00 C ATOM 945 O GLU A 80 -6.197 -5.433 -3.864 1.00 0.00 O ATOM 946 CB GLU A 80 -5.943 -8.025 -5.683 1.00 0.00 C ATOM 947 CG GLU A 80 -6.976 -9.014 -5.164 1.00 0.00 C ATOM 948 CD GLU A 80 -8.181 -9.126 -6.077 1.00 0.00 C ATOM 949 OE1 GLU A 80 -9.090 -8.276 -5.964 1.00 0.00 O ATOM 950 OE2 GLU A 80 -8.213 -10.060 -6.907 1.00 0.00 O ATOM 0 H GLU A 80 -5.349 -4.861 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.308 -6.685 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.532 -8.403 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.118 -7.971 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.513 -9.995 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.304 -8.705 -4.171 1.00 0.00 H new ATOM 957 N ASP A 81 -8.275 -6.169 -4.321 1.00 0.00 N ATOM 958 CA ASP A 81 -8.771 -5.682 -3.043 1.00 0.00 C ATOM 959 C ASP A 81 -8.059 -6.396 -1.917 1.00 0.00 C ATOM 960 O ASP A 81 -7.790 -7.597 -1.995 1.00 0.00 O ATOM 961 CB ASP A 81 -10.281 -5.884 -2.851 1.00 0.00 C ATOM 962 CG ASP A 81 -11.146 -4.973 -3.702 1.00 0.00 C ATOM 963 OD1 ASP A 81 -10.901 -3.746 -3.717 1.00 0.00 O ATOM 964 OD2 ASP A 81 -12.135 -5.458 -4.293 1.00 0.00 O ATOM 0 H ASP A 81 -8.971 -6.598 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.575 -4.610 -3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.529 -6.920 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.527 -5.723 -1.801 1.00 0.00 H new ATOM 969 N LEU A 82 -7.730 -5.641 -0.884 1.00 0.00 N ATOM 970 CA LEU A 82 -7.217 -6.202 0.360 1.00 0.00 C ATOM 971 C LEU A 82 -5.836 -6.840 0.162 1.00 0.00 C ATOM 972 O LEU A 82 -5.351 -7.558 1.040 1.00 0.00 O ATOM 973 CB LEU A 82 -8.194 -7.260 0.928 1.00 0.00 C ATOM 974 CG LEU A 82 -9.676 -6.849 1.086 1.00 0.00 C ATOM 975 CD1 LEU A 82 -9.855 -5.339 1.184 1.00 0.00 C ATOM 976 CD2 LEU A 82 -10.527 -7.445 -0.024 1.00 0.00 C ATOM 0 H LEU A 82 -7.809 -4.624 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.122 -5.379 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.155 -8.136 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.824 -7.569 1.906 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.023 -7.260 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.914 -5.104 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.309 -4.963 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.471 -4.868 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.565 -7.141 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.167 -7.090 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.460 -8.532 0.010 1.00 0.00 H new ATOM 988 N CYS A 83 -5.191 -6.557 -0.970 1.00 0.00 N ATOM 989 CA CYS A 83 -3.933 -7.230 -1.292 1.00 0.00 C ATOM 990 C CYS A 83 -2.767 -6.632 -0.505 1.00 0.00 C ATOM 991 O CYS A 83 -1.840 -7.346 -0.122 1.00 0.00 O ATOM 992 CB CYS A 83 -3.638 -7.160 -2.800 1.00 0.00 C ATOM 993 SG CYS A 83 -2.945 -5.573 -3.361 1.00 0.00 S ATOM 0 H CYS A 83 -5.510 -5.882 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 83 -4.043 -8.276 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.942 -7.958 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.561 -7.353 -3.347 1.00 0.00 H new ATOM 998 N ASN A 84 -2.832 -5.329 -0.224 1.00 0.00 N ATOM 999 CA ASN A 84 -1.716 -4.639 0.427 1.00 0.00 C ATOM 1000 C ASN A 84 -1.717 -4.889 1.935 1.00 0.00 C ATOM 1001 O ASN A 84 -1.091 -4.155 2.698 1.00 0.00 O ATOM 1002 CB ASN A 84 -1.766 -3.129 0.165 1.00 0.00 C ATOM 1003 CG ASN A 84 -2.866 -2.413 0.934 1.00 0.00 C ATOM 1004 OD1 ASN A 84 -3.951 -2.956 1.153 1.00 0.00 O ATOM 1005 ND2 ASN A 84 -2.584 -1.190 1.362 1.00 0.00 N ATOM 0 H ASN A 84 -3.635 -4.736 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.799 -5.043 -0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.804 -2.691 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.910 -2.958 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.277 -0.663 1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.674 -0.776 1.160 1.00 0.00 H new