USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 382 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 1 GLY N :NH3+ 144:sc= -0.26 (180deg=-2.05!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.00726 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.272 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0355 K(o=-0.035,f=-0.57) USER MOD Single : B 33 ASN :FLIP amide:sc= 0.122 F(o=-1!,f=0.12) USER MOD Single : B 34 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.033) USER MOD Single : B 35 HIS : no HE2:sc= -0.372 X(o=-0.37,f=-0.82) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.038) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 123:sc= 0.176 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.664 0.363 -0.836 1.00 25.00 N ATOM 2 CA GLY A 1 3.015 0.881 -1.281 1.00 25.00 C ATOM 3 C GLY A 1 3.962 -0.284 -1.659 1.00 25.00 C ATOM 4 O GLY A 1 3.584 -1.245 -2.301 1.00 25.00 O ATOM 0 H1 GLY A 1 1.296 0.965 -0.072 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.004 0.380 -1.639 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.763 -0.613 -0.490 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.890 1.544 -2.137 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.462 1.473 -0.482 1.00 25.00 H new ATOM 9 N ILE A 2 5.187 -0.203 -1.143 1.00 25.00 N ATOM 10 CA ILE A 2 6.185 -1.285 -1.258 1.00 25.00 C ATOM 11 C ILE A 2 5.583 -2.629 -0.753 1.00 25.00 C ATOM 12 O ILE A 2 5.916 -3.699 -1.264 1.00 25.00 O ATOM 13 CB ILE A 2 7.541 -0.929 -0.426 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.281 -2.204 0.016 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.257 -0.015 0.812 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.573 -1.950 0.894 1.00 25.00 C ATOM 0 H ILE A 2 5.524 0.612 -0.631 1.00 25.00 H new ATOM 0 HA ILE A 2 6.451 -1.386 -2.310 1.00 25.00 H new ATOM 0 HB ILE A 2 8.182 -0.372 -1.110 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.591 -2.830 0.582 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.567 -2.768 -0.872 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.192 0.193 1.333 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.811 0.922 0.478 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.570 -0.523 1.489 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.027 -2.905 1.158 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.287 -1.353 0.326 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.296 -1.417 1.803 1.00 25.00 H new ATOM 28 N VAL A 3 4.715 -2.570 0.239 1.00 25.00 N ATOM 29 CA VAL A 3 4.150 -3.794 0.808 1.00 25.00 C ATOM 30 C VAL A 3 3.319 -4.541 -0.213 1.00 25.00 C ATOM 31 O VAL A 3 3.523 -5.733 -0.403 1.00 25.00 O ATOM 32 CB VAL A 3 3.311 -3.501 2.076 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.509 -4.710 2.511 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.263 -3.067 3.263 1.00 25.00 C ATOM 0 H VAL A 3 4.385 -1.705 0.667 1.00 25.00 H new ATOM 0 HA VAL A 3 4.988 -4.427 1.099 1.00 25.00 H new ATOM 0 HB VAL A 3 2.618 -2.696 1.829 1.00 25.00 H new ATOM 0 HG11 VAL A 3 1.934 -4.463 3.404 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.829 -5.003 1.711 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.186 -5.535 2.732 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.666 -2.862 4.152 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.968 -3.870 3.476 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.812 -2.169 2.980 1.00 25.00 H new ATOM 44 N GLU A 4 2.480 -3.848 -0.930 1.00 25.00 N ATOM 45 CA GLU A 4 1.611 -4.513 -1.899 1.00 25.00 C ATOM 46 C GLU A 4 2.329 -4.717 -3.247 1.00 25.00 C ATOM 47 O GLU A 4 1.990 -5.595 -3.997 1.00 25.00 O ATOM 48 CB GLU A 4 0.274 -3.753 -2.049 1.00 25.00 C ATOM 49 CG GLU A 4 0.365 -2.374 -2.766 1.00 25.00 C ATOM 50 CD GLU A 4 -0.984 -1.758 -2.961 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.317 -0.703 -2.445 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.775 -2.467 -3.724 1.00 25.00 O ATOM 0 H GLU A 4 2.369 -2.836 -0.874 1.00 25.00 H new ATOM 0 HA GLU A 4 1.373 -5.507 -1.522 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.423 -4.384 -2.600 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.150 -3.600 -1.057 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.991 -1.701 -2.180 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.851 -2.499 -3.734 1.00 25.00 H new ATOM 60 N GLN A 5 3.370 -3.897 -3.492 1.00 25.00 N ATOM 61 CA GLN A 5 4.220 -4.011 -4.688 1.00 25.00 C ATOM 62 C GLN A 5 5.071 -5.265 -4.633 1.00 25.00 C ATOM 63 O GLN A 5 5.308 -5.901 -5.658 1.00 25.00 O ATOM 64 CB GLN A 5 5.169 -2.816 -4.794 1.00 25.00 C ATOM 65 CG GLN A 5 4.568 -1.566 -5.354 1.00 25.00 C ATOM 66 CD GLN A 5 4.605 -1.526 -6.883 1.00 25.00 C ATOM 67 OE1 GLN A 5 5.555 -1.081 -7.464 1.00 25.00 O ATOM 68 NE2 GLN A 5 3.593 -1.948 -7.531 1.00 25.00 N ATOM 0 H GLN A 5 3.643 -3.139 -2.866 1.00 25.00 H new ATOM 0 HA GLN A 5 3.553 -4.046 -5.549 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.562 -2.597 -3.801 1.00 25.00 H new ATOM 0 HB3 GLN A 5 6.017 -3.101 -5.416 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.535 -1.482 -5.017 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.103 -0.702 -4.959 1.00 25.00 H new ATOM 0 HE21 GLN A 5 2.788 -2.325 -7.031 1.00 25.00 H new ATOM 0 HE22 GLN A 5 3.587 -1.909 -8.550 1.00 25.00 H new ATOM 77 N CYS A 6 5.502 -5.642 -3.434 1.00 25.00 N ATOM 78 CA CYS A 6 6.293 -6.871 -3.242 1.00 25.00 C ATOM 79 C CYS A 6 5.373 -8.074 -3.044 1.00 25.00 C ATOM 80 O CYS A 6 5.611 -9.140 -3.669 1.00 25.00 O ATOM 81 CB CYS A 6 7.169 -6.747 -1.989 1.00 25.00 C ATOM 82 SG CYS A 6 8.248 -8.206 -1.717 1.00 25.00 S ATOM 0 H CYS A 6 5.322 -5.121 -2.576 1.00 25.00 H new ATOM 0 HA CYS A 6 6.910 -7.009 -4.130 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.789 -5.855 -2.074 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.529 -6.609 -1.118 1.00 25.00 H new ATOM 87 N CYS A 7 4.317 -7.930 -2.230 1.00 25.00 N ATOM 88 CA CYS A 7 3.376 -9.068 -1.909 1.00 25.00 C ATOM 89 C CYS A 7 2.277 -9.322 -2.986 1.00 25.00 C ATOM 90 O CYS A 7 1.119 -9.420 -2.688 1.00 25.00 O ATOM 91 CB CYS A 7 2.711 -8.790 -0.600 1.00 25.00 C ATOM 92 SG CYS A 7 1.921 -10.177 0.256 1.00 25.00 S ATOM 0 H CYS A 7 4.075 -7.051 -1.773 1.00 25.00 H new ATOM 0 HA CYS A 7 3.988 -9.969 -1.878 1.00 25.00 H new ATOM 0 HB2 CYS A 7 3.457 -8.363 0.071 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.954 -8.023 -0.765 1.00 25.00 H new ATOM 97 N THR A 8 2.690 -9.510 -4.229 1.00 25.00 N ATOM 98 CA THR A 8 1.729 -9.740 -5.307 1.00 25.00 C ATOM 99 C THR A 8 2.399 -10.584 -6.443 1.00 25.00 C ATOM 100 O THR A 8 1.776 -11.072 -7.382 1.00 25.00 O ATOM 101 CB THR A 8 1.208 -8.379 -5.862 1.00 25.00 C ATOM 102 OG1 THR A 8 0.075 -8.592 -6.731 1.00 25.00 O ATOM 103 CG2 THR A 8 2.306 -7.587 -6.583 1.00 25.00 C ATOM 0 H THR A 8 3.668 -9.509 -4.519 1.00 25.00 H new ATOM 0 HA THR A 8 0.877 -10.297 -4.917 1.00 25.00 H new ATOM 0 HB THR A 8 0.892 -7.779 -5.009 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.121 -9.493 -7.113 1.00 25.00 H new ATOM 0 HG21 THR A 8 1.895 -6.647 -6.952 1.00 25.00 H new ATOM 0 HG22 THR A 8 3.120 -7.379 -5.889 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.685 -8.171 -7.422 1.00 25.00 H new ATOM 111 N SER A 9 3.692 -10.834 -6.305 1.00 25.00 N ATOM 112 CA SER A 9 4.394 -11.648 -7.280 1.00 25.00 C ATOM 113 C SER A 9 5.502 -12.388 -6.531 1.00 25.00 C ATOM 114 O SER A 9 5.706 -12.146 -5.326 1.00 25.00 O ATOM 115 CB SER A 9 4.963 -10.746 -8.384 1.00 25.00 C ATOM 116 OG SER A 9 5.372 -11.504 -9.506 1.00 25.00 O ATOM 0 H SER A 9 4.269 -10.489 -5.537 1.00 25.00 H new ATOM 0 HA SER A 9 3.731 -12.368 -7.760 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.209 -10.020 -8.688 1.00 25.00 H new ATOM 0 HB3 SER A 9 5.811 -10.182 -7.995 1.00 25.00 H new ATOM 0 HG SER A 9 5.728 -10.904 -10.194 1.00 25.00 H new ATOM 122 N ILE A 10 6.286 -13.189 -7.222 1.00 25.00 N ATOM 123 CA ILE A 10 7.559 -13.640 -6.609 1.00 25.00 C ATOM 124 C ILE A 10 8.386 -12.356 -6.467 1.00 25.00 C ATOM 125 O ILE A 10 8.495 -11.614 -7.416 1.00 25.00 O ATOM 126 CB ILE A 10 8.282 -14.749 -7.481 1.00 25.00 C ATOM 127 CG1 ILE A 10 7.446 -16.044 -7.567 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.665 -15.033 -6.896 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.084 -16.720 -6.175 1.00 25.00 C ATOM 0 H ILE A 10 6.097 -13.538 -8.162 1.00 25.00 H new ATOM 0 HA ILE A 10 7.408 -14.128 -5.646 1.00 25.00 H new ATOM 0 HB ILE A 10 8.389 -14.372 -8.498 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.519 -15.822 -8.095 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.992 -16.768 -8.172 1.00 25.00 H new ATOM 0 HG21 ILE A 10 10.164 -15.795 -7.494 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.259 -14.119 -6.905 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.561 -15.388 -5.871 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.496 -17.621 -6.350 1.00 25.00 H new ATOM 0 HD12 ILE A 10 8.002 -16.982 -5.648 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.505 -16.021 -5.571 1.00 25.00 H new ATOM 141 N CYS A 11 8.887 -12.023 -5.274 1.00 25.00 N ATOM 142 CA CYS A 11 9.564 -10.715 -5.099 1.00 25.00 C ATOM 143 C CYS A 11 11.113 -10.867 -5.394 1.00 25.00 C ATOM 144 O CYS A 11 11.756 -11.796 -4.893 1.00 25.00 O ATOM 145 CB CYS A 11 9.278 -10.226 -3.666 1.00 25.00 C ATOM 146 SG CYS A 11 9.437 -8.444 -3.362 1.00 25.00 S ATOM 0 H CYS A 11 8.846 -12.608 -4.439 1.00 25.00 H new ATOM 0 HA CYS A 11 9.187 -9.973 -5.802 1.00 25.00 H new ATOM 0 HB2 CYS A 11 8.265 -10.527 -3.400 1.00 25.00 H new ATOM 0 HB3 CYS A 11 9.953 -10.748 -2.988 1.00 25.00 H new ATOM 151 N SER A 12 11.658 -10.048 -6.303 1.00 25.00 N ATOM 152 CA SER A 12 13.048 -10.179 -6.691 1.00 25.00 C ATOM 153 C SER A 12 13.891 -9.316 -5.773 1.00 25.00 C ATOM 154 O SER A 12 13.470 -8.266 -5.300 1.00 25.00 O ATOM 155 CB SER A 12 13.282 -9.702 -8.121 1.00 25.00 C ATOM 156 OG SER A 12 12.955 -8.319 -8.200 1.00 25.00 O ATOM 0 H SER A 12 11.154 -9.297 -6.774 1.00 25.00 H new ATOM 0 HA SER A 12 13.319 -11.233 -6.622 1.00 25.00 H new ATOM 0 HB2 SER A 12 14.322 -9.861 -8.407 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.669 -10.276 -8.816 1.00 25.00 H new ATOM 0 HG SER A 12 13.103 -8.000 -9.115 1.00 25.00 H new ATOM 162 N LEU A 13 15.133 -9.733 -5.622 1.00 25.00 N ATOM 163 CA LEU A 13 16.057 -8.922 -4.861 1.00 25.00 C ATOM 164 C LEU A 13 16.293 -7.604 -5.645 1.00 25.00 C ATOM 165 O LEU A 13 16.579 -6.565 -5.031 1.00 25.00 O ATOM 166 CB LEU A 13 17.395 -9.654 -4.564 1.00 25.00 C ATOM 167 CG LEU A 13 18.499 -9.762 -5.642 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.610 -8.712 -5.430 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.120 -11.181 -5.618 1.00 25.00 C ATOM 0 H LEU A 13 15.515 -10.599 -6.002 1.00 25.00 H new ATOM 0 HA LEU A 13 15.622 -8.710 -3.884 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.841 -9.165 -3.698 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.143 -10.671 -4.262 1.00 25.00 H new ATOM 0 HG LEU A 13 18.035 -9.573 -6.610 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.366 -8.821 -6.207 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.180 -7.712 -5.480 1.00 25.00 H new ATOM 0 HD13 LEU A 13 20.070 -8.861 -4.453 1.00 25.00 H new ATOM 0 HD21 LEU A 13 19.897 -11.251 -6.379 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.555 -11.371 -4.637 1.00 25.00 H new ATOM 0 HD23 LEU A 13 18.345 -11.921 -5.821 1.00 25.00 H new ATOM 181 N TYR A 14 16.107 -7.632 -6.929 1.00 25.00 N ATOM 182 CA TYR A 14 16.367 -6.506 -7.791 1.00 25.00 C ATOM 183 C TYR A 14 15.419 -5.328 -7.525 1.00 25.00 C ATOM 184 O TYR A 14 15.835 -4.194 -7.490 1.00 25.00 O ATOM 185 CB TYR A 14 16.264 -7.011 -9.268 1.00 25.00 C ATOM 186 CG TYR A 14 16.798 -6.076 -10.360 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.126 -6.122 -10.788 1.00 25.00 C ATOM 188 CD2 TYR A 14 15.903 -5.152 -10.976 1.00 25.00 C ATOM 189 CE1 TYR A 14 18.543 -5.290 -11.833 1.00 25.00 C ATOM 190 CE2 TYR A 14 16.357 -4.311 -12.064 1.00 25.00 C ATOM 191 CZ TYR A 14 17.647 -4.375 -12.481 1.00 25.00 C ATOM 192 OH TYR A 14 18.059 -3.554 -13.501 1.00 25.00 O ATOM 0 H TYR A 14 15.762 -8.455 -7.424 1.00 25.00 H new ATOM 0 HA TYR A 14 17.365 -6.117 -7.591 1.00 25.00 H new ATOM 0 HB2 TYR A 14 16.799 -7.958 -9.341 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.216 -7.220 -9.483 1.00 25.00 H new ATOM 0 HD1 TYR A 14 18.827 -6.795 -10.316 1.00 25.00 H new ATOM 0 HD2 TYR A 14 14.883 -5.079 -10.630 1.00 25.00 H new ATOM 0 HE1 TYR A 14 19.571 -5.338 -12.162 1.00 25.00 H new ATOM 0 HE2 TYR A 14 15.668 -3.632 -12.544 1.00 25.00 H new ATOM 0 HH TYR A 14 17.304 -3.010 -13.808 1.00 25.00 H new ATOM 202 N GLN A 15 14.132 -5.606 -7.338 1.00 25.00 N ATOM 203 CA GLN A 15 13.163 -4.548 -7.035 1.00 25.00 C ATOM 204 C GLN A 15 13.208 -4.230 -5.504 1.00 25.00 C ATOM 205 O GLN A 15 13.147 -3.069 -5.102 1.00 25.00 O ATOM 206 CB GLN A 15 11.733 -5.069 -7.456 1.00 25.00 C ATOM 207 CG GLN A 15 11.184 -4.316 -8.681 1.00 25.00 C ATOM 208 CD GLN A 15 10.076 -5.058 -9.416 1.00 25.00 C ATOM 209 OE1 GLN A 15 10.253 -6.168 -9.869 1.00 25.00 O ATOM 210 NE2 GLN A 15 8.893 -4.439 -9.506 1.00 25.00 N ATOM 0 H GLN A 15 13.735 -6.544 -7.389 1.00 25.00 H new ATOM 0 HA GLN A 15 13.396 -3.633 -7.580 1.00 25.00 H new ATOM 0 HB2 GLN A 15 11.786 -6.135 -7.679 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.044 -4.953 -6.620 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.806 -3.345 -8.359 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.003 -4.126 -9.375 1.00 25.00 H new ATOM 0 HE21 GLN A 15 8.775 -3.504 -9.115 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.109 -4.902 -9.966 1.00 25.00 H new ATOM 219 N LEU A 16 13.499 -5.229 -4.679 1.00 25.00 N ATOM 220 CA LEU A 16 13.734 -5.001 -3.235 1.00 25.00 C ATOM 221 C LEU A 16 14.857 -3.944 -2.973 1.00 25.00 C ATOM 222 O LEU A 16 14.687 -3.078 -2.142 1.00 25.00 O ATOM 223 CB LEU A 16 14.071 -6.344 -2.598 1.00 25.00 C ATOM 224 CG LEU A 16 14.204 -6.304 -1.085 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.776 -6.167 -0.398 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.869 -7.595 -0.655 1.00 25.00 C ATOM 0 H LEU A 16 13.580 -6.203 -4.971 1.00 25.00 H new ATOM 0 HA LEU A 16 12.832 -4.586 -2.785 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.296 -7.063 -2.864 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.005 -6.710 -3.023 1.00 25.00 H new ATOM 0 HG LEU A 16 14.798 -5.442 -0.781 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.894 -6.140 0.685 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.298 -5.247 -0.734 1.00 25.00 H new ATOM 0 HD13 LEU A 16 12.156 -7.020 -0.674 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.982 -7.603 0.429 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.254 -8.441 -0.962 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.851 -7.672 -1.122 1.00 25.00 H new ATOM 238 N GLU A 17 15.932 -3.993 -3.751 1.00 25.00 N ATOM 239 CA GLU A 17 17.039 -3.037 -3.682 1.00 25.00 C ATOM 240 C GLU A 17 16.681 -1.628 -4.136 1.00 25.00 C ATOM 241 O GLU A 17 17.371 -0.684 -3.756 1.00 25.00 O ATOM 242 CB GLU A 17 18.248 -3.490 -4.493 1.00 25.00 C ATOM 243 CG GLU A 17 18.892 -4.701 -4.001 1.00 25.00 C ATOM 244 CD GLU A 17 20.086 -4.404 -3.165 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.176 -4.693 -3.484 1.00 25.00 O ATOM 246 OE2 GLU A 17 19.801 -3.804 -2.040 1.00 25.00 O ATOM 0 H GLU A 17 16.064 -4.711 -4.463 1.00 25.00 H new ATOM 0 HA GLU A 17 17.279 -3.007 -2.619 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.936 -3.654 -5.524 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.982 -2.684 -4.507 1.00 25.00 H new ATOM 0 HG2 GLU A 17 18.176 -5.279 -3.416 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.188 -5.322 -4.847 1.00 25.00 H new ATOM 254 N ASN A 18 15.566 -1.444 -4.815 1.00 25.00 N ATOM 255 CA ASN A 18 15.137 -0.096 -5.150 1.00 25.00 C ATOM 256 C ASN A 18 14.590 0.617 -3.877 1.00 25.00 C ATOM 257 O ASN A 18 14.554 1.865 -3.819 1.00 25.00 O ATOM 258 CB ASN A 18 14.044 -0.131 -6.260 1.00 25.00 C ATOM 259 CG ASN A 18 13.860 1.210 -6.890 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.166 2.044 -6.388 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.510 1.426 -8.017 1.00 25.00 N ATOM 0 H ASN A 18 14.951 -2.190 -5.140 1.00 25.00 H new ATOM 0 HA ASN A 18 15.994 0.461 -5.529 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.322 -0.858 -7.023 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.099 -0.465 -5.831 1.00 25.00 H new ATOM 0 HD21 ASN A 18 14.429 2.327 -8.488 1.00 25.00 H new ATOM 0 HD22 ASN A 18 15.094 0.692 -8.418 1.00 25.00 H new ATOM 268 N TYR A 19 14.155 -0.191 -2.888 1.00 25.00 N ATOM 269 CA TYR A 19 13.643 0.324 -1.641 1.00 25.00 C ATOM 270 C TYR A 19 14.796 0.606 -0.676 1.00 25.00 C ATOM 271 O TYR A 19 14.574 0.979 0.474 1.00 25.00 O ATOM 272 CB TYR A 19 12.718 -0.668 -0.998 1.00 25.00 C ATOM 273 CG TYR A 19 11.644 -1.266 -1.896 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.773 -0.412 -2.617 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.460 -2.631 -2.034 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.756 -0.940 -3.461 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.429 -3.144 -2.815 1.00 25.00 C ATOM 278 CZ TYR A 19 9.580 -2.302 -3.542 1.00 25.00 C ATOM 279 OH TYR A 19 8.571 -2.834 -4.268 1.00 25.00 O ATOM 0 H TYR A 19 14.156 -1.209 -2.949 1.00 25.00 H new ATOM 0 HA TYR A 19 13.100 1.244 -1.856 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.318 -1.483 -0.592 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.228 -0.182 -0.154 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.883 0.658 -2.524 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.129 -3.310 -1.526 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.126 -0.276 -4.034 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.281 -4.213 -2.861 1.00 25.00 H new ATOM 0 HH TYR A 19 8.605 -3.812 -4.209 1.00 25.00 H new ATOM 289 N CYS A 20 16.011 0.280 -1.115 1.00 25.00 N ATOM 290 CA CYS A 20 17.218 0.402 -0.301 1.00 25.00 C ATOM 291 C CYS A 20 18.070 1.570 -0.815 1.00 25.00 C ATOM 292 O CYS A 20 19.258 1.649 -0.547 1.00 25.00 O ATOM 293 CB CYS A 20 18.027 -0.891 -0.421 1.00 25.00 C ATOM 294 SG CYS A 20 19.347 -1.171 0.819 1.00 25.00 S ATOM 0 H CYS A 20 16.186 -0.079 -2.054 1.00 25.00 H new ATOM 0 HA CYS A 20 16.942 0.581 0.738 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.333 -1.730 -0.371 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.483 -0.914 -1.411 1.00 25.00 H new ATOM 299 N ASN A 21 17.448 2.510 -1.537 1.00 25.00 N ATOM 300 CA ASN A 21 18.176 3.630 -2.121 1.00 25.00 C ATOM 301 C ASN A 21 17.313 4.879 -2.108 1.00 25.00 C ATOM 302 O ASN A 21 16.158 4.876 -2.429 1.00 25.00 O ATOM 303 CB ASN A 21 18.663 3.258 -3.541 1.00 25.00 C ATOM 304 CG ASN A 21 19.501 4.345 -4.149 1.00 25.00 C ATOM 305 OD1 ASN A 21 19.047 5.392 -4.532 1.00 25.00 O ATOM 306 ND2 ASN A 21 20.778 4.074 -4.308 1.00 25.00 N ATOM 307 OXT ASN A 21 17.857 5.910 -1.585 1.00 25.00 O ATOM 0 H ASN A 21 16.446 2.513 -1.727 1.00 25.00 H new ATOM 0 HA ASN A 21 19.061 3.849 -1.523 1.00 25.00 H new ATOM 0 HB2 ASN A 21 19.242 2.336 -3.496 1.00 25.00 H new ATOM 0 HB3 ASN A 21 17.802 3.063 -4.180 1.00 25.00 H new ATOM 0 HD21 ASN A 21 21.391 4.753 -4.759 1.00 25.00 H new ATOM 0 HD22 ASN A 21 21.155 3.185 -3.981 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.492 -15.911 -2.616 1.00 25.00 N ATOM 317 CA PHE B 31 18.359 -15.094 -2.236 1.00 25.00 C ATOM 318 C PHE B 31 17.012 -15.825 -2.111 1.00 25.00 C ATOM 319 O PHE B 31 16.608 -16.669 -2.925 1.00 25.00 O ATOM 320 CB PHE B 31 18.150 -13.998 -3.240 1.00 25.00 C ATOM 321 CG PHE B 31 17.016 -13.101 -2.878 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.168 -12.146 -1.860 1.00 25.00 C ATOM 323 CD2 PHE B 31 15.821 -13.166 -3.604 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.119 -11.282 -1.561 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.772 -12.268 -3.300 1.00 25.00 C ATOM 326 CZ PHE B 31 14.905 -11.350 -2.258 1.00 25.00 C ATOM 0 HA PHE B 31 18.630 -14.733 -1.244 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.063 -13.408 -3.325 1.00 25.00 H new ATOM 0 HB3 PHE B 31 17.963 -14.438 -4.220 1.00 25.00 H new ATOM 0 HD1 PHE B 31 18.096 -12.082 -1.311 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.701 -13.897 -4.390 1.00 25.00 H new ATOM 0 HE1 PHE B 31 16.242 -10.547 -0.779 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.861 -12.293 -3.879 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.084 -10.701 -1.992 1.00 25.00 H new ATOM 337 N VAL B 32 16.246 -15.486 -1.050 1.00 25.00 N ATOM 338 CA VAL B 32 14.902 -16.084 -0.850 1.00 25.00 C ATOM 339 C VAL B 32 13.899 -15.444 -1.816 1.00 25.00 C ATOM 340 O VAL B 32 13.214 -14.458 -1.519 1.00 25.00 O ATOM 341 CB VAL B 32 14.398 -15.885 0.610 1.00 25.00 C ATOM 342 CG1 VAL B 32 13.153 -16.749 0.855 1.00 25.00 C ATOM 343 CG2 VAL B 32 15.531 -16.329 1.608 1.00 25.00 C ATOM 0 H VAL B 32 16.525 -14.817 -0.332 1.00 25.00 H new ATOM 0 HA VAL B 32 14.984 -17.153 -1.045 1.00 25.00 H new ATOM 0 HB VAL B 32 14.147 -14.836 0.765 1.00 25.00 H new ATOM 0 HG11 VAL B 32 12.806 -16.605 1.878 1.00 25.00 H new ATOM 0 HG12 VAL B 32 12.365 -16.458 0.160 1.00 25.00 H new ATOM 0 HG13 VAL B 32 13.403 -17.799 0.701 1.00 25.00 H new ATOM 0 HG21 VAL B 32 15.187 -16.193 2.633 1.00 25.00 H new ATOM 0 HG22 VAL B 32 15.771 -17.379 1.442 1.00 25.00 H new ATOM 0 HG23 VAL B 32 16.421 -15.723 1.441 1.00 25.00 H new ATOM 353 N ASN B 33 13.804 -16.056 -2.997 1.00 25.00 N ATOM 354 CA ASN B 33 12.897 -15.623 -4.047 1.00 25.00 C ATOM 355 C ASN B 33 11.532 -16.206 -3.662 1.00 25.00 C ATOM 356 O ASN B 33 11.268 -17.390 -3.789 1.00 25.00 O ATOM 357 CB ASN B 33 13.449 -16.040 -5.421 1.00 25.00 C ATOM 358 CG ASN B 33 13.739 -17.522 -5.546 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.833 -17.962 -5.007 1.00 25.00 O flip ATOM 360 ND2 ASN B 33 13.020 -18.248 -6.239 1.00 25.00 N flip ATOM 0 H ASN B 33 14.361 -16.872 -3.248 1.00 25.00 H new ATOM 0 HA ASN B 33 12.791 -14.542 -4.138 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.732 -15.755 -6.191 1.00 25.00 H new ATOM 0 HB3 ASN B 33 14.365 -15.483 -5.617 1.00 25.00 H new ATOM 0 HD21 ASN B 33 12.165 -17.875 -6.651 1.00 25.00 H new ATOM 0 HD22 ASN B 33 13.281 -19.221 -6.400 1.00 25.00 H new ATOM 367 N GLN B 34 10.649 -15.379 -3.104 1.00 25.00 N ATOM 368 CA GLN B 34 9.414 -15.888 -2.485 1.00 25.00 C ATOM 369 C GLN B 34 8.385 -14.745 -2.484 1.00 25.00 C ATOM 370 O GLN B 34 8.737 -13.599 -2.703 1.00 25.00 O ATOM 371 CB GLN B 34 9.776 -16.399 -1.084 1.00 25.00 C ATOM 372 CG GLN B 34 8.659 -17.010 -0.238 1.00 25.00 C ATOM 373 CD GLN B 34 9.169 -17.569 1.059 1.00 25.00 C ATOM 374 OE1 GLN B 34 9.879 -16.917 1.791 1.00 25.00 O ATOM 375 NE2 GLN B 34 8.845 -18.786 1.318 1.00 25.00 N ATOM 0 H GLN B 34 10.758 -14.366 -3.065 1.00 25.00 H new ATOM 0 HA GLN B 34 8.967 -16.721 -3.028 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.561 -17.147 -1.193 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.204 -15.567 -0.524 1.00 25.00 H new ATOM 0 HG2 GLN B 34 7.905 -16.250 -0.032 1.00 25.00 H new ATOM 0 HG3 GLN B 34 8.168 -17.801 -0.805 1.00 25.00 H new ATOM 0 HE21 GLN B 34 8.244 -19.302 0.675 1.00 25.00 H new ATOM 0 HE22 GLN B 34 9.189 -19.236 2.166 1.00 25.00 H new ATOM 384 N HIS B 35 7.132 -15.041 -2.163 1.00 25.00 N ATOM 385 CA HIS B 35 6.139 -14.012 -1.834 1.00 25.00 C ATOM 386 C HIS B 35 6.443 -13.449 -0.448 1.00 25.00 C ATOM 387 O HIS B 35 5.886 -13.871 0.553 1.00 25.00 O ATOM 388 CB HIS B 35 4.714 -14.596 -1.878 1.00 25.00 C ATOM 389 CG HIS B 35 4.406 -15.271 -3.168 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.209 -14.582 -4.359 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.232 -16.577 -3.484 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.942 -15.435 -5.303 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.959 -16.650 -4.817 1.00 25.00 N ATOM 0 H HIS B 35 6.771 -15.994 -2.122 1.00 25.00 H new ATOM 0 HA HIS B 35 6.194 -13.211 -2.571 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.593 -15.309 -1.062 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.993 -13.796 -1.711 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.265 -13.570 -4.474 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.298 -17.411 -2.801 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.737 -15.180 -6.332 1.00 25.00 H new ATOM 402 N LEU B 36 7.359 -12.500 -0.428 1.00 25.00 N ATOM 403 CA LEU B 36 7.794 -11.818 0.780 1.00 25.00 C ATOM 404 C LEU B 36 6.722 -10.769 1.125 1.00 25.00 C ATOM 405 O LEU B 36 6.410 -9.909 0.316 1.00 25.00 O ATOM 406 CB LEU B 36 9.136 -11.109 0.569 1.00 25.00 C ATOM 407 CG LEU B 36 10.341 -12.017 0.289 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.594 -11.159 -0.057 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.685 -12.812 1.576 1.00 25.00 C ATOM 0 H LEU B 36 7.833 -12.173 -1.270 1.00 25.00 H new ATOM 0 HA LEU B 36 7.923 -12.545 1.582 1.00 25.00 H new ATOM 0 HB2 LEU B 36 9.030 -10.413 -0.263 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.353 -10.514 1.456 1.00 25.00 H new ATOM 0 HG LEU B 36 10.088 -12.678 -0.540 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.442 -11.816 -0.253 1.00 25.00 H new ATOM 0 HD12 LEU B 36 11.389 -10.556 -0.942 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.829 -10.504 0.782 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.541 -13.460 1.386 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.928 -12.116 2.379 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.828 -13.419 1.869 1.00 25.00 H new ATOM 421 N CYS B 37 6.168 -10.897 2.319 1.00 25.00 N ATOM 422 CA CYS B 37 5.079 -10.040 2.775 1.00 25.00 C ATOM 423 C CYS B 37 5.319 -9.854 4.267 1.00 25.00 C ATOM 424 O CYS B 37 6.246 -10.512 4.821 1.00 25.00 O ATOM 425 CB CYS B 37 3.744 -10.759 2.574 1.00 25.00 C ATOM 426 SG CYS B 37 3.453 -11.360 0.882 1.00 25.00 S ATOM 0 H CYS B 37 6.458 -11.597 3.002 1.00 25.00 H new ATOM 0 HA CYS B 37 5.047 -9.095 2.233 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.696 -11.605 3.259 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.936 -10.080 2.848 1.00 25.00 H new ATOM 431 N GLY B 38 4.461 -9.127 4.954 1.00 25.00 N ATOM 432 CA GLY B 38 4.525 -9.047 6.404 1.00 25.00 C ATOM 433 C GLY B 38 5.880 -8.670 6.980 1.00 25.00 C ATOM 434 O GLY B 38 6.565 -7.818 6.414 1.00 25.00 O ATOM 0 H GLY B 38 3.709 -8.581 4.533 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.790 -8.317 6.743 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.230 -10.012 6.817 1.00 25.00 H new ATOM 438 N SER B 39 6.308 -9.371 8.005 1.00 25.00 N ATOM 439 CA SER B 39 7.585 -9.161 8.643 1.00 25.00 C ATOM 440 C SER B 39 8.776 -9.751 7.835 1.00 25.00 C ATOM 441 O SER B 39 9.896 -9.269 7.910 1.00 25.00 O ATOM 442 CB SER B 39 7.527 -9.802 10.016 1.00 25.00 C ATOM 443 OG SER B 39 7.423 -11.205 9.912 1.00 25.00 O ATOM 0 H SER B 39 5.763 -10.122 8.428 1.00 25.00 H new ATOM 0 HA SER B 39 7.764 -8.088 8.707 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.421 -9.540 10.582 1.00 25.00 H new ATOM 0 HB3 SER B 39 6.674 -9.410 10.569 1.00 25.00 H new ATOM 0 HG SER B 39 7.389 -11.598 10.809 1.00 25.00 H new ATOM 449 N HIS B 40 8.509 -10.761 7.003 1.00 25.00 N ATOM 450 CA HIS B 40 9.528 -11.327 6.148 1.00 25.00 C ATOM 451 C HIS B 40 10.049 -10.329 5.112 1.00 25.00 C ATOM 452 O HIS B 40 11.164 -10.440 4.615 1.00 25.00 O ATOM 453 CB HIS B 40 8.947 -12.557 5.442 1.00 25.00 C ATOM 454 CG HIS B 40 8.732 -13.747 6.351 1.00 25.00 C ATOM 455 ND1 HIS B 40 9.444 -14.941 6.199 1.00 25.00 N ATOM 456 CD2 HIS B 40 7.915 -13.976 7.438 1.00 25.00 C ATOM 457 CE1 HIS B 40 9.029 -15.807 7.112 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.111 -15.257 7.863 1.00 25.00 N ATOM 0 H HIS B 40 7.591 -11.197 6.911 1.00 25.00 H new ATOM 0 HA HIS B 40 10.378 -11.603 6.772 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.995 -12.285 4.986 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.616 -12.848 4.633 1.00 25.00 H new ATOM 0 HD2 HIS B 40 7.235 -13.262 7.878 1.00 25.00 H new ATOM 0 HE1 HIS B 40 9.395 -16.817 7.220 1.00 25.00 H new ATOM 0 HE2 HIS B 40 7.624 -15.710 8.636 1.00 25.00 H new ATOM 467 N LEU B 41 9.190 -9.347 4.760 1.00 25.00 N ATOM 468 CA LEU B 41 9.554 -8.356 3.771 1.00 25.00 C ATOM 469 C LEU B 41 10.650 -7.431 4.324 1.00 25.00 C ATOM 470 O LEU B 41 11.750 -7.327 3.756 1.00 25.00 O ATOM 471 CB LEU B 41 8.296 -7.582 3.408 1.00 25.00 C ATOM 472 CG LEU B 41 8.500 -6.281 2.636 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.259 -6.496 1.407 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.075 -5.686 2.272 1.00 25.00 C ATOM 0 H LEU B 41 8.255 -9.235 5.151 1.00 25.00 H new ATOM 0 HA LEU B 41 9.960 -8.829 2.877 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.653 -8.233 2.816 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.758 -7.353 4.328 1.00 25.00 H new ATOM 0 HG LEU B 41 9.066 -5.590 3.261 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.383 -5.547 0.885 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.239 -6.907 1.651 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.722 -7.195 0.765 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.200 -4.755 1.719 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.528 -6.402 1.658 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.517 -5.492 3.188 1.00 25.00 H new ATOM 486 N VAL B 42 10.400 -6.844 5.480 1.00 25.00 N ATOM 487 CA VAL B 42 11.355 -5.950 6.114 1.00 25.00 C ATOM 488 C VAL B 42 12.616 -6.711 6.556 1.00 25.00 C ATOM 489 O VAL B 42 13.716 -6.206 6.396 1.00 25.00 O ATOM 490 CB VAL B 42 10.753 -5.157 7.324 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.708 -4.132 6.846 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.097 -6.108 8.337 1.00 25.00 C ATOM 0 H VAL B 42 9.535 -6.972 6.005 1.00 25.00 H new ATOM 0 HA VAL B 42 11.624 -5.215 5.355 1.00 25.00 H new ATOM 0 HB VAL B 42 11.577 -4.632 7.808 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.306 -3.595 7.705 1.00 25.00 H new ATOM 0 HG12 VAL B 42 10.178 -3.424 6.163 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.899 -4.650 6.331 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.688 -5.531 9.166 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.295 -6.662 7.849 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.843 -6.807 8.715 1.00 25.00 H new ATOM 502 N GLU B 43 12.458 -7.948 6.986 1.00 25.00 N ATOM 503 CA GLU B 43 13.607 -8.788 7.297 1.00 25.00 C ATOM 504 C GLU B 43 14.547 -9.013 6.085 1.00 25.00 C ATOM 505 O GLU B 43 15.792 -8.925 6.211 1.00 25.00 O ATOM 506 CB GLU B 43 13.115 -10.164 7.776 1.00 25.00 C ATOM 507 CG GLU B 43 14.170 -10.987 8.484 1.00 25.00 C ATOM 508 CD GLU B 43 13.897 -11.116 9.938 1.00 25.00 C ATOM 509 OE1 GLU B 43 13.874 -10.177 10.699 1.00 25.00 O ATOM 510 OE2 GLU B 43 13.710 -12.333 10.304 1.00 25.00 O ATOM 0 H GLU B 43 11.552 -8.395 7.129 1.00 25.00 H new ATOM 0 HA GLU B 43 14.173 -8.266 8.068 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.269 -10.021 8.449 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.748 -10.726 6.917 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.216 -11.979 8.035 1.00 25.00 H new ATOM 0 HG3 GLU B 43 15.147 -10.525 8.339 1.00 25.00 H new ATOM 518 N ALA B 44 13.933 -9.272 4.926 1.00 25.00 N ATOM 519 CA ALA B 44 14.714 -9.520 3.714 1.00 25.00 C ATOM 520 C ALA B 44 15.385 -8.201 3.339 1.00 25.00 C ATOM 521 O ALA B 44 16.518 -8.179 2.915 1.00 25.00 O ATOM 522 CB ALA B 44 13.821 -9.957 2.614 1.00 25.00 C ATOM 0 H ALA B 44 12.921 -9.315 4.803 1.00 25.00 H new ATOM 0 HA ALA B 44 15.453 -10.304 3.883 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.412 -10.139 1.716 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.309 -10.875 2.904 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.085 -9.179 2.412 1.00 25.00 H new ATOM 528 N LEU B 45 14.658 -7.112 3.511 1.00 25.00 N ATOM 529 CA LEU B 45 15.157 -5.781 3.174 1.00 25.00 C ATOM 530 C LEU B 45 16.348 -5.493 4.067 1.00 25.00 C ATOM 531 O LEU B 45 17.346 -4.980 3.605 1.00 25.00 O ATOM 532 CB LEU B 45 14.054 -4.708 3.351 1.00 25.00 C ATOM 533 CG LEU B 45 14.394 -3.304 2.825 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.742 -3.250 1.344 1.00 25.00 C ATOM 535 CD2 LEU B 45 13.232 -2.383 3.087 1.00 25.00 C ATOM 0 H LEU B 45 13.709 -7.119 3.886 1.00 25.00 H new ATOM 0 HA LEU B 45 15.458 -5.749 2.127 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.152 -5.055 2.847 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.817 -4.630 4.412 1.00 25.00 H new ATOM 0 HG LEU B 45 15.290 -2.992 3.361 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.968 -2.222 1.061 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.611 -3.879 1.151 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.897 -3.611 0.758 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.467 -1.386 2.716 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.346 -2.760 2.576 1.00 25.00 H new ATOM 0 HD23 LEU B 45 13.040 -2.335 4.159 1.00 25.00 H new ATOM 547 N TYR B 46 16.293 -5.846 5.335 1.00 25.00 N ATOM 548 CA TYR B 46 17.434 -5.657 6.219 1.00 25.00 C ATOM 549 C TYR B 46 18.629 -6.490 5.820 1.00 25.00 C ATOM 550 O TYR B 46 19.773 -5.999 5.738 1.00 25.00 O ATOM 551 CB TYR B 46 17.033 -5.983 7.688 1.00 25.00 C ATOM 552 CG TYR B 46 18.209 -5.948 8.633 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.600 -4.733 9.254 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.900 -7.120 8.911 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.696 -4.681 10.106 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.989 -7.121 9.837 1.00 25.00 C ATOM 557 CZ TYR B 46 20.374 -5.853 10.446 1.00 25.00 C ATOM 558 OH TYR B 46 21.464 -5.837 11.290 1.00 25.00 O ATOM 0 H TYR B 46 15.475 -6.264 5.779 1.00 25.00 H new ATOM 0 HA TYR B 46 17.728 -4.611 6.135 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.282 -5.268 8.023 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.572 -6.970 7.724 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.035 -3.833 9.061 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.612 -8.039 8.423 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.024 -3.733 10.506 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.512 -8.035 10.079 1.00 25.00 H new ATOM 0 HH TYR B 46 21.800 -6.750 11.408 1.00 25.00 H new ATOM 568 N LEU B 47 18.370 -7.769 5.490 1.00 25.00 N ATOM 569 CA LEU B 47 19.445 -8.668 5.054 1.00 25.00 C ATOM 570 C LEU B 47 20.105 -8.240 3.722 1.00 25.00 C ATOM 571 O LEU B 47 21.286 -8.396 3.553 1.00 25.00 O ATOM 572 CB LEU B 47 18.915 -10.085 4.878 1.00 25.00 C ATOM 573 CG LEU B 47 18.618 -10.794 6.198 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.805 -12.078 5.886 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.893 -11.160 6.986 1.00 25.00 C ATOM 0 H LEU B 47 17.443 -8.193 5.517 1.00 25.00 H new ATOM 0 HA LEU B 47 20.200 -8.621 5.839 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.004 -10.052 4.280 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.644 -10.670 4.317 1.00 25.00 H new ATOM 0 HG LEU B 47 18.052 -10.110 6.830 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.581 -12.602 6.815 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.874 -11.807 5.389 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.388 -12.729 5.234 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.616 -11.661 7.914 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.513 -11.825 6.386 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.451 -10.253 7.216 1.00 25.00 H new ATOM 587 N VAL B 48 19.339 -7.754 2.770 1.00 25.00 N ATOM 588 CA VAL B 48 19.953 -7.289 1.524 1.00 25.00 C ATOM 589 C VAL B 48 20.676 -5.909 1.737 1.00 25.00 C ATOM 590 O VAL B 48 21.649 -5.597 1.093 1.00 25.00 O ATOM 591 CB VAL B 48 18.913 -7.194 0.356 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.012 -5.943 0.471 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.626 -7.234 -1.002 1.00 25.00 C ATOM 0 H VAL B 48 18.324 -7.667 2.819 1.00 25.00 H new ATOM 0 HA VAL B 48 20.698 -8.031 1.236 1.00 25.00 H new ATOM 0 HB VAL B 48 18.258 -8.062 0.434 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.309 -5.923 -0.362 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.461 -5.977 1.411 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.630 -5.046 0.445 1.00 25.00 H new ATOM 0 HG21 VAL B 48 18.889 -7.167 -1.802 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.318 -6.395 -1.075 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.179 -8.169 -1.095 1.00 25.00 H new ATOM 603 N CYS B 49 20.196 -5.061 2.675 1.00 25.00 N ATOM 604 CA CYS B 49 20.786 -3.712 2.831 1.00 25.00 C ATOM 605 C CYS B 49 22.051 -3.722 3.689 1.00 25.00 C ATOM 606 O CYS B 49 23.029 -3.093 3.363 1.00 25.00 O ATOM 607 CB CYS B 49 19.806 -2.681 3.390 1.00 25.00 C ATOM 608 SG CYS B 49 18.413 -2.245 2.282 1.00 25.00 S ATOM 0 H CYS B 49 19.430 -5.275 3.314 1.00 25.00 H new ATOM 0 HA CYS B 49 21.048 -3.412 1.816 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.399 -3.062 4.327 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.358 -1.772 3.629 1.00 25.00 H new ATOM 613 N GLY B 50 22.021 -4.400 4.840 1.00 25.00 N ATOM 614 CA GLY B 50 23.152 -4.344 5.768 1.00 25.00 C ATOM 615 C GLY B 50 23.360 -2.978 6.390 1.00 25.00 C ATOM 616 O GLY B 50 24.442 -2.629 6.703 1.00 25.00 O ATOM 0 H GLY B 50 21.242 -4.983 5.147 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.997 -5.075 6.561 1.00 25.00 H new ATOM 0 HA3 GLY B 50 24.060 -4.635 5.239 1.00 25.00 H new ATOM 620 N GLU B 51 22.306 -2.159 6.458 1.00 25.00 N ATOM 621 CA GLU B 51 22.475 -0.744 6.876 1.00 25.00 C ATOM 622 C GLU B 51 22.531 -0.540 8.396 1.00 25.00 C ATOM 623 O GLU B 51 23.575 -0.198 8.923 1.00 25.00 O ATOM 624 CB GLU B 51 21.357 0.163 6.339 1.00 25.00 C ATOM 625 CG GLU B 51 21.519 0.506 4.856 1.00 25.00 C ATOM 626 CD GLU B 51 22.648 1.462 4.569 1.00 25.00 C ATOM 627 OE1 GLU B 51 22.756 2.539 5.094 1.00 25.00 O ATOM 628 OE2 GLU B 51 23.459 1.039 3.696 1.00 25.00 O ATOM 0 H GLU B 51 21.348 -2.431 6.238 1.00 25.00 H new ATOM 0 HA GLU B 51 23.438 -0.469 6.446 1.00 25.00 H new ATOM 0 HB2 GLU B 51 20.396 -0.329 6.489 1.00 25.00 H new ATOM 0 HB3 GLU B 51 21.337 1.086 6.919 1.00 25.00 H new ATOM 0 HG2 GLU B 51 21.685 -0.415 4.296 1.00 25.00 H new ATOM 0 HG3 GLU B 51 20.588 0.939 4.490 1.00 25.00 H new ATOM 636 N GLN B 52 21.391 -0.639 9.063 1.00 25.00 N ATOM 637 CA GLN B 52 21.366 -0.476 10.490 1.00 25.00 C ATOM 638 C GLN B 52 20.150 -1.057 11.189 1.00 25.00 C ATOM 639 O GLN B 52 20.247 -1.436 12.335 1.00 25.00 O ATOM 640 CB GLN B 52 21.434 1.040 10.858 1.00 25.00 C ATOM 641 CG GLN B 52 20.340 1.933 10.347 1.00 25.00 C ATOM 642 CD GLN B 52 20.762 3.383 10.380 1.00 25.00 C ATOM 643 OE1 GLN B 52 21.649 3.817 9.686 1.00 25.00 O ATOM 644 NE2 GLN B 52 20.050 4.164 11.137 1.00 25.00 N ATOM 0 H GLN B 52 20.485 -0.830 8.635 1.00 25.00 H new ATOM 0 HA GLN B 52 22.235 -1.034 10.839 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.452 1.121 11.945 1.00 25.00 H new ATOM 0 HB3 GLN B 52 22.384 1.431 10.493 1.00 25.00 H new ATOM 0 HG2 GLN B 52 20.082 1.649 9.327 1.00 25.00 H new ATOM 0 HG3 GLN B 52 19.444 1.798 10.952 1.00 25.00 H new ATOM 0 HE21 GLN B 52 19.305 3.774 11.715 1.00 25.00 H new ATOM 0 HE22 GLN B 52 20.236 5.167 11.153 1.00 25.00 H new ATOM 653 N GLY B 53 18.987 -1.083 10.511 1.00 25.00 N ATOM 654 CA GLY B 53 17.747 -1.617 11.113 1.00 25.00 C ATOM 655 C GLY B 53 16.541 -0.720 10.829 1.00 25.00 C ATOM 656 O GLY B 53 16.741 0.389 10.342 1.00 25.00 O ATOM 0 H GLY B 53 18.878 -0.744 9.555 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.556 -2.617 10.723 1.00 25.00 H new ATOM 0 HA3 GLY B 53 17.880 -1.716 12.190 1.00 25.00 H new ATOM 660 N PHE B 54 15.335 -1.213 11.105 1.00 25.00 N ATOM 661 CA PHE B 54 14.076 -0.436 10.889 1.00 25.00 C ATOM 662 C PHE B 54 13.245 -0.349 12.165 1.00 25.00 C ATOM 663 O PHE B 54 12.323 0.513 12.274 1.00 25.00 O ATOM 664 CB PHE B 54 13.240 -1.066 9.780 1.00 25.00 C ATOM 665 CG PHE B 54 13.967 -1.242 8.496 1.00 25.00 C ATOM 666 CD1 PHE B 54 14.460 -0.116 7.838 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.219 -2.527 7.945 1.00 25.00 C ATOM 668 CE1 PHE B 54 15.244 -0.255 6.635 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.978 -2.666 6.749 1.00 25.00 C ATOM 670 CZ PHE B 54 15.508 -1.533 6.108 1.00 25.00 C ATOM 0 H PHE B 54 15.184 -2.149 11.481 1.00 25.00 H new ATOM 0 HA PHE B 54 14.365 0.573 10.596 1.00 25.00 H new ATOM 0 HB2 PHE B 54 12.881 -2.038 10.118 1.00 25.00 H new ATOM 0 HB3 PHE B 54 12.361 -0.445 9.605 1.00 25.00 H new ATOM 0 HD1 PHE B 54 14.253 0.868 8.232 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.831 -3.406 8.438 1.00 25.00 H new ATOM 0 HE1 PHE B 54 15.629 0.623 6.138 1.00 25.00 H new ATOM 0 HE2 PHE B 54 15.148 -3.648 6.332 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.112 -1.642 5.219 1.00 25.00 H new ATOM 680 N PHE B 55 13.596 -1.201 13.123 1.00 25.00 N ATOM 681 CA PHE B 55 12.949 -1.274 14.451 1.00 25.00 C ATOM 682 C PHE B 55 14.049 -1.800 15.334 1.00 25.00 C ATOM 683 O PHE B 55 14.938 -2.476 14.854 1.00 25.00 O ATOM 684 CB PHE B 55 11.780 -2.266 14.445 1.00 25.00 C ATOM 685 CG PHE B 55 10.694 -1.908 15.438 1.00 25.00 C ATOM 686 CD1 PHE B 55 9.852 -0.828 15.161 1.00 25.00 C ATOM 687 CD2 PHE B 55 10.571 -2.564 16.674 1.00 25.00 C ATOM 688 CE1 PHE B 55 8.857 -0.446 16.075 1.00 25.00 C ATOM 689 CE2 PHE B 55 9.607 -2.128 17.611 1.00 25.00 C ATOM 690 CZ PHE B 55 8.743 -1.068 17.289 1.00 25.00 C ATOM 0 H PHE B 55 14.351 -1.877 13.007 1.00 25.00 H new ATOM 0 HA PHE B 55 12.539 -0.316 14.770 1.00 25.00 H new ATOM 0 HB2 PHE B 55 11.350 -2.306 13.444 1.00 25.00 H new ATOM 0 HB3 PHE B 55 12.156 -3.264 14.671 1.00 25.00 H new ATOM 0 HD1 PHE B 55 9.967 -0.282 14.236 1.00 25.00 H new ATOM 0 HD2 PHE B 55 11.212 -3.401 16.908 1.00 25.00 H new ATOM 0 HE1 PHE B 55 8.173 0.349 15.817 1.00 25.00 H new ATOM 0 HE2 PHE B 55 9.534 -2.610 18.575 1.00 25.00 H new ATOM 0 HZ PHE B 55 7.993 -0.746 17.996 1.00 25.00 H new ATOM 700 N TYR B 56 13.986 -1.497 16.622 1.00 25.00 N ATOM 701 CA TYR B 56 15.035 -1.925 17.576 1.00 25.00 C ATOM 702 C TYR B 56 14.328 -2.338 18.873 1.00 25.00 C ATOM 703 O TYR B 56 13.644 -1.534 19.511 1.00 25.00 O ATOM 704 CB TYR B 56 16.046 -0.788 17.838 1.00 25.00 C ATOM 705 CG TYR B 56 17.441 -1.263 18.256 1.00 25.00 C ATOM 706 CD1 TYR B 56 17.612 -2.274 19.231 1.00 25.00 C ATOM 707 CD2 TYR B 56 18.605 -0.759 17.613 1.00 25.00 C ATOM 708 CE1 TYR B 56 18.918 -2.787 19.548 1.00 25.00 C ATOM 709 CE2 TYR B 56 19.907 -1.267 17.919 1.00 25.00 C ATOM 710 CZ TYR B 56 20.050 -2.287 18.855 1.00 25.00 C ATOM 711 OH TYR B 56 21.251 -2.825 19.156 1.00 25.00 O ATOM 0 H TYR B 56 13.229 -0.959 17.043 1.00 25.00 H new ATOM 0 HA TYR B 56 15.603 -2.760 17.166 1.00 25.00 H new ATOM 0 HB2 TYR B 56 16.137 -0.184 16.935 1.00 25.00 H new ATOM 0 HB3 TYR B 56 15.649 -0.138 18.617 1.00 25.00 H new ATOM 0 HD1 TYR B 56 16.748 -2.667 19.746 1.00 25.00 H new ATOM 0 HD2 TYR B 56 18.504 0.025 16.877 1.00 25.00 H new ATOM 0 HE1 TYR B 56 19.036 -3.546 20.307 1.00 25.00 H new ATOM 0 HE2 TYR B 56 20.777 -0.860 17.425 1.00 25.00 H new ATOM 0 HH TYR B 56 21.946 -2.398 18.613 1.00 25.00 H new ATOM 721 N THR B 57 14.473 -3.632 19.250 1.00 25.00 N ATOM 722 CA THR B 57 13.855 -4.161 20.488 1.00 25.00 C ATOM 723 C THR B 57 14.646 -5.343 21.021 1.00 25.00 C ATOM 724 O THR B 57 14.351 -6.497 20.704 1.00 25.00 O ATOM 725 CB THR B 57 12.346 -4.605 20.233 1.00 25.00 C ATOM 726 OG1 THR B 57 11.606 -3.518 19.678 1.00 25.00 O ATOM 727 CG2 THR B 57 11.665 -5.038 21.482 1.00 25.00 C ATOM 0 H THR B 57 15.007 -4.321 18.720 1.00 25.00 H new ATOM 0 HA THR B 57 13.865 -3.359 21.227 1.00 25.00 H new ATOM 0 HB THR B 57 12.379 -5.449 19.544 1.00 25.00 H new ATOM 0 HG1 THR B 57 11.212 -3.793 18.824 1.00 25.00 H new ATOM 0 HG21 THR B 57 10.640 -5.330 21.255 1.00 25.00 H new ATOM 0 HG22 THR B 57 12.198 -5.886 21.911 1.00 25.00 H new ATOM 0 HG23 THR B 57 11.658 -4.215 22.197 1.00 25.00 H new ATOM 735 N PRO B 58 15.657 -5.069 21.878 1.00 25.00 N ATOM 736 CA PRO B 58 16.370 -6.229 22.428 1.00 25.00 C ATOM 737 C PRO B 58 15.552 -7.081 23.380 1.00 25.00 C ATOM 738 O PRO B 58 14.746 -6.552 24.126 1.00 25.00 O ATOM 739 CB PRO B 58 17.560 -5.594 23.191 1.00 25.00 C ATOM 740 CG PRO B 58 17.062 -4.201 23.514 1.00 25.00 C ATOM 741 CD PRO B 58 16.188 -3.785 22.391 1.00 25.00 C ATOM 0 HA PRO B 58 16.646 -6.915 21.627 1.00 25.00 H new ATOM 0 HB2 PRO B 58 17.804 -6.154 24.094 1.00 25.00 H new ATOM 0 HB3 PRO B 58 18.462 -5.567 22.579 1.00 25.00 H new ATOM 0 HG2 PRO B 58 16.511 -4.196 24.454 1.00 25.00 H new ATOM 0 HG3 PRO B 58 17.897 -3.510 23.630 1.00 25.00 H new ATOM 0 HD2 PRO B 58 15.388 -3.125 22.727 1.00 25.00 H new ATOM 0 HD3 PRO B 58 16.746 -3.246 21.625 1.00 25.00 H new ATOM 749 N LYS B 59 15.776 -8.381 23.389 1.00 25.00 N ATOM 750 CA LYS B 59 15.170 -9.237 24.424 1.00 25.00 C ATOM 751 C LYS B 59 16.155 -10.258 24.941 1.00 25.00 C ATOM 752 O LYS B 59 15.840 -11.367 25.305 1.00 25.00 O ATOM 753 CB LYS B 59 13.895 -9.876 23.856 1.00 25.00 C ATOM 754 CG LYS B 59 12.849 -10.210 24.931 1.00 25.00 C ATOM 755 CD LYS B 59 11.568 -10.766 24.349 1.00 25.00 C ATOM 756 CE LYS B 59 10.537 -10.907 25.456 1.00 25.00 C ATOM 757 NZ LYS B 59 9.190 -11.486 24.962 1.00 25.00 N ATOM 0 H LYS B 59 16.359 -8.872 22.711 1.00 25.00 H new ATOM 0 HA LYS B 59 14.894 -8.632 25.288 1.00 25.00 H new ATOM 0 HB2 LYS B 59 13.452 -9.198 23.126 1.00 25.00 H new ATOM 0 HB3 LYS B 59 14.161 -10.789 23.323 1.00 25.00 H new ATOM 0 HG2 LYS B 59 13.270 -10.934 25.629 1.00 25.00 H new ATOM 0 HG3 LYS B 59 12.622 -9.310 25.503 1.00 25.00 H new ATOM 0 HD2 LYS B 59 11.192 -10.105 23.568 1.00 25.00 H new ATOM 0 HD3 LYS B 59 11.755 -11.734 23.885 1.00 25.00 H new ATOM 0 HE2 LYS B 59 10.938 -11.552 26.238 1.00 25.00 H new ATOM 0 HE3 LYS B 59 10.362 -9.931 25.908 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 8.529 -11.558 25.762 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 8.788 -10.859 24.236 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 9.346 -12.431 24.556 1.00 25.00 H new ATOM 771 N THR B 60 17.421 -9.848 24.949 1.00 25.00 N ATOM 772 CA THR B 60 18.567 -10.720 25.280 1.00 25.00 C ATOM 773 C THR B 60 18.909 -10.806 26.767 1.00 25.00 C ATOM 774 O THR B 60 19.257 -11.822 27.325 1.00 25.00 O ATOM 775 CB THR B 60 19.746 -10.197 24.516 1.00 25.00 C ATOM 776 OG1 THR B 60 19.395 -8.837 24.082 1.00 25.00 O ATOM 777 CG2 THR B 60 19.952 -11.016 23.248 1.00 25.00 C ATOM 778 OXT THR B 60 18.799 -9.646 27.385 1.00 25.00 O ATOM 0 H THR B 60 17.693 -8.891 24.724 1.00 25.00 H new ATOM 0 HA THR B 60 18.296 -11.739 25.004 1.00 25.00 H new ATOM 0 HB THR B 60 20.641 -10.236 25.137 1.00 25.00 H new ATOM 0 HG1 THR B 60 20.141 -8.452 23.577 1.00 25.00 H new ATOM 0 HG21 THR B 60 20.811 -10.628 22.700 1.00 25.00 H new ATOM 0 HG22 THR B 60 20.131 -12.058 23.513 1.00 25.00 H new ATOM 0 HG23 THR B 60 19.062 -10.948 22.623 1.00 25.00 H new TER 787 THR B 60