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 Set 1.1: A 12 SER OG : rot 63:sc= 0.509 USER MOD Set 1.2: B 33 ASN : amide:sc= 0.59 K(o=1.1,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ -155:sc= 0.153 (180deg=0.0334) USER MOD Single : A 5 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.61) USER MOD Single : A 8 THR OG1 : rot -86:sc= 1 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0678 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.000555 X(o=-0.00055,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : B 39 SER OG : rot 180:sc=0.000225 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= -0.0021 X(o=-0.0021,f=-0.14) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0167) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.497 1.468 -2.786 1.00 25.00 N ATOM 2 CA GLY A 1 3.595 1.305 -1.878 1.00 25.00 C ATOM 3 C GLY A 1 4.367 -0.038 -1.968 1.00 25.00 C ATOM 4 O GLY A 1 3.920 -1.008 -2.517 1.00 25.00 O ATOM 0 H1 GLY A 1 2.330 2.481 -2.951 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.721 1.003 -3.689 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.642 1.038 -2.378 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.302 2.118 -2.046 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.218 1.415 -0.861 1.00 25.00 H new ATOM 9 N ILE A 2 5.591 -0.060 -1.394 1.00 25.00 N ATOM 10 CA ILE A 2 6.461 -1.244 -1.457 1.00 25.00 C ATOM 11 C ILE A 2 5.733 -2.544 -0.983 1.00 25.00 C ATOM 12 O ILE A 2 5.783 -3.558 -1.680 1.00 25.00 O ATOM 13 CB ILE A 2 7.758 -1.002 -0.635 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.548 -2.292 -0.461 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.448 -0.363 0.792 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.913 -2.087 0.246 1.00 25.00 C ATOM 0 H ILE A 2 5.992 0.728 -0.885 1.00 25.00 H new ATOM 0 HA ILE A 2 6.727 -1.399 -2.503 1.00 25.00 H new ATOM 0 HB ILE A 2 8.360 -0.292 -1.202 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.952 -3.000 0.115 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.718 -2.740 -1.440 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.382 -0.211 1.333 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.945 0.595 0.660 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.805 -1.036 1.360 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.423 -3.046 0.337 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.527 -1.404 -0.340 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.749 -1.667 1.238 1.00 25.00 H new ATOM 28 N VAL A 3 5.008 -2.495 0.128 1.00 25.00 N ATOM 29 CA VAL A 3 4.330 -3.667 0.657 1.00 25.00 C ATOM 30 C VAL A 3 3.392 -4.296 -0.374 1.00 25.00 C ATOM 31 O VAL A 3 3.559 -5.438 -0.746 1.00 25.00 O ATOM 32 CB VAL A 3 3.527 -3.349 1.946 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.848 -4.598 2.475 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.460 -2.659 3.032 1.00 25.00 C ATOM 0 H VAL A 3 4.875 -1.649 0.682 1.00 25.00 H new ATOM 0 HA VAL A 3 5.118 -4.379 0.903 1.00 25.00 H new ATOM 0 HB VAL A 3 2.739 -2.636 1.704 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.290 -4.354 3.379 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.164 -4.988 1.721 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.601 -5.352 2.706 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.878 -2.444 3.928 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.281 -3.330 3.285 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.862 -1.729 2.629 1.00 25.00 H new ATOM 44 N GLU A 4 2.416 -3.531 -0.855 1.00 25.00 N ATOM 45 CA GLU A 4 1.465 -4.071 -1.850 1.00 25.00 C ATOM 46 C GLU A 4 2.139 -4.378 -3.205 1.00 25.00 C ATOM 47 O GLU A 4 1.597 -5.173 -3.948 1.00 25.00 O ATOM 48 CB GLU A 4 0.234 -3.146 -2.061 1.00 25.00 C ATOM 49 CG GLU A 4 0.548 -1.784 -2.718 1.00 25.00 C ATOM 50 CD GLU A 4 -0.549 -0.778 -2.528 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.382 0.296 -2.008 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.710 -1.178 -2.919 1.00 25.00 O ATOM 0 H GLU A 4 2.256 -2.560 -0.588 1.00 25.00 H new ATOM 0 HA GLU A 4 1.110 -5.012 -1.430 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.495 -3.671 -2.678 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.237 -2.967 -1.095 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.473 -1.389 -2.299 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.718 -1.931 -3.784 1.00 25.00 H new ATOM 60 N GLN A 5 3.298 -3.778 -3.511 1.00 25.00 N ATOM 61 CA GLN A 5 4.002 -4.055 -4.761 1.00 25.00 C ATOM 62 C GLN A 5 4.670 -5.423 -4.735 1.00 25.00 C ATOM 63 O GLN A 5 4.623 -6.160 -5.734 1.00 25.00 O ATOM 64 CB GLN A 5 5.031 -2.970 -5.023 1.00 25.00 C ATOM 65 CG GLN A 5 5.664 -3.018 -6.418 1.00 25.00 C ATOM 66 CD GLN A 5 4.584 -2.842 -7.451 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.743 -1.985 -7.336 1.00 25.00 O ATOM 68 NE2 GLN A 5 4.627 -3.625 -8.492 1.00 25.00 N ATOM 0 H GLN A 5 3.763 -3.100 -2.908 1.00 25.00 H new ATOM 0 HA GLN A 5 3.270 -4.062 -5.568 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.558 -1.998 -4.886 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.821 -3.048 -4.276 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.413 -2.233 -6.519 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.176 -3.969 -6.567 1.00 25.00 H new ATOM 0 HE21 GLN A 5 5.350 -4.341 -8.562 1.00 25.00 H new ATOM 0 HE22 GLN A 5 3.938 -3.522 -9.237 1.00 25.00 H new ATOM 77 N CYS A 6 5.227 -5.809 -3.581 1.00 25.00 N ATOM 78 CA CYS A 6 5.847 -7.140 -3.427 1.00 25.00 C ATOM 79 C CYS A 6 4.840 -8.268 -3.109 1.00 25.00 C ATOM 80 O CYS A 6 4.894 -9.344 -3.661 1.00 25.00 O ATOM 81 CB CYS A 6 6.895 -7.078 -2.309 1.00 25.00 C ATOM 82 SG CYS A 6 8.589 -7.418 -2.896 1.00 25.00 S ATOM 0 H CYS A 6 5.264 -5.228 -2.744 1.00 25.00 H new ATOM 0 HA CYS A 6 6.297 -7.386 -4.389 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.868 -6.091 -1.848 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.634 -7.799 -1.534 1.00 25.00 H new ATOM 87 N CYS A 7 3.932 -7.996 -2.185 1.00 25.00 N ATOM 88 CA CYS A 7 2.891 -8.946 -1.775 1.00 25.00 C ATOM 89 C CYS A 7 1.841 -9.349 -2.802 1.00 25.00 C ATOM 90 O CYS A 7 0.978 -10.200 -2.485 1.00 25.00 O ATOM 91 CB CYS A 7 2.172 -8.366 -0.536 1.00 25.00 C ATOM 92 SG CYS A 7 3.284 -7.934 0.875 1.00 25.00 S ATOM 0 H CYS A 7 3.890 -7.105 -1.690 1.00 25.00 H new ATOM 0 HA CYS A 7 3.435 -9.872 -1.589 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.625 -7.472 -0.836 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.434 -9.090 -0.190 1.00 25.00 H new ATOM 97 N THR A 8 1.910 -8.828 -4.008 1.00 25.00 N ATOM 98 CA THR A 8 1.004 -9.210 -5.094 1.00 25.00 C ATOM 99 C THR A 8 1.879 -9.669 -6.261 1.00 25.00 C ATOM 100 O THR A 8 2.865 -8.990 -6.621 1.00 25.00 O ATOM 101 CB THR A 8 0.065 -8.073 -5.558 1.00 25.00 C ATOM 102 OG1 THR A 8 0.844 -6.954 -6.001 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.934 -7.617 -4.487 1.00 25.00 C ATOM 0 H THR A 8 2.597 -8.122 -4.274 1.00 25.00 H new ATOM 0 HA THR A 8 0.344 -9.997 -4.730 1.00 25.00 H new ATOM 0 HB THR A 8 -0.528 -8.480 -6.377 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.064 -6.384 -5.234 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.557 -6.818 -4.888 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.564 -8.457 -4.196 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.391 -7.252 -3.615 1.00 25.00 H new ATOM 111 N SER A 9 1.635 -10.885 -6.724 1.00 25.00 N ATOM 112 CA SER A 9 2.532 -11.610 -7.623 1.00 25.00 C ATOM 113 C SER A 9 3.901 -11.877 -6.992 1.00 25.00 C ATOM 114 O SER A 9 4.107 -11.576 -5.808 1.00 25.00 O ATOM 115 CB SER A 9 2.656 -10.930 -8.978 1.00 25.00 C ATOM 116 OG SER A 9 3.160 -11.834 -9.927 1.00 25.00 O ATOM 0 H SER A 9 0.794 -11.409 -6.484 1.00 25.00 H new ATOM 0 HA SER A 9 2.073 -12.583 -7.795 1.00 25.00 H new ATOM 0 HB2 SER A 9 1.682 -10.560 -9.298 1.00 25.00 H new ATOM 0 HB3 SER A 9 3.316 -10.066 -8.901 1.00 25.00 H new ATOM 0 HG SER A 9 3.235 -11.388 -10.796 1.00 25.00 H new ATOM 122 N ILE A 10 4.795 -12.505 -7.735 1.00 25.00 N ATOM 123 CA ILE A 10 6.128 -12.819 -7.197 1.00 25.00 C ATOM 124 C ILE A 10 7.087 -11.664 -7.531 1.00 25.00 C ATOM 125 O ILE A 10 7.375 -11.389 -8.711 1.00 25.00 O ATOM 126 CB ILE A 10 6.705 -14.212 -7.751 1.00 25.00 C ATOM 127 CG1 ILE A 10 5.768 -15.373 -7.393 1.00 25.00 C ATOM 128 CG2 ILE A 10 8.113 -14.509 -7.165 1.00 25.00 C ATOM 129 CD1 ILE A 10 5.649 -15.732 -5.893 1.00 25.00 C ATOM 0 H ILE A 10 4.637 -12.807 -8.696 1.00 25.00 H new ATOM 0 HA ILE A 10 6.039 -12.932 -6.117 1.00 25.00 H new ATOM 0 HB ILE A 10 6.777 -14.121 -8.835 1.00 25.00 H new ATOM 0 HG12 ILE A 10 4.772 -15.134 -7.766 1.00 25.00 H new ATOM 0 HG13 ILE A 10 6.105 -16.260 -7.930 1.00 25.00 H new ATOM 0 HG21 ILE A 10 8.478 -15.458 -7.558 1.00 25.00 H new ATOM 0 HG22 ILE A 10 8.800 -13.711 -7.447 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.050 -14.566 -6.078 1.00 25.00 H new ATOM 0 HD11 ILE A 10 4.958 -16.567 -5.772 1.00 25.00 H new ATOM 0 HD12 ILE A 10 6.629 -16.013 -5.507 1.00 25.00 H new ATOM 0 HD13 ILE A 10 5.276 -14.870 -5.341 1.00 25.00 H new ATOM 141 N CYS A 11 7.644 -11.048 -6.466 1.00 25.00 N ATOM 142 CA CYS A 11 8.642 -9.960 -6.587 1.00 25.00 C ATOM 143 C CYS A 11 10.008 -10.602 -6.422 1.00 25.00 C ATOM 144 O CYS A 11 10.130 -11.745 -5.989 1.00 25.00 O ATOM 145 CB CYS A 11 8.392 -8.832 -5.555 1.00 25.00 C ATOM 146 SG CYS A 11 8.539 -9.249 -3.770 1.00 25.00 S ATOM 0 H CYS A 11 7.417 -11.289 -5.501 1.00 25.00 H new ATOM 0 HA CYS A 11 8.569 -9.473 -7.559 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.091 -8.023 -5.768 1.00 25.00 H new ATOM 0 HB3 CYS A 11 7.389 -8.440 -5.725 1.00 25.00 H new ATOM 151 N SER A 12 11.051 -9.850 -6.769 1.00 25.00 N ATOM 152 CA SER A 12 12.393 -10.428 -6.830 1.00 25.00 C ATOM 153 C SER A 12 13.402 -9.400 -6.337 1.00 25.00 C ATOM 154 O SER A 12 13.019 -8.213 -6.151 1.00 25.00 O ATOM 155 CB SER A 12 12.662 -10.892 -8.269 1.00 25.00 C ATOM 156 OG SER A 12 13.960 -11.460 -8.394 1.00 25.00 O ATOM 0 H SER A 12 10.997 -8.860 -7.008 1.00 25.00 H new ATOM 0 HA SER A 12 12.483 -11.300 -6.182 1.00 25.00 H new ATOM 0 HB2 SER A 12 11.912 -11.626 -8.563 1.00 25.00 H new ATOM 0 HB3 SER A 12 12.565 -10.047 -8.950 1.00 25.00 H new ATOM 0 HG SER A 12 14.022 -12.261 -7.833 1.00 25.00 H new ATOM 162 N LEU A 13 14.647 -9.853 -6.169 1.00 25.00 N ATOM 163 CA LEU A 13 15.748 -9.010 -5.704 1.00 25.00 C ATOM 164 C LEU A 13 15.937 -7.827 -6.592 1.00 25.00 C ATOM 165 O LEU A 13 16.296 -6.750 -6.156 1.00 25.00 O ATOM 166 CB LEU A 13 17.040 -9.820 -5.691 1.00 25.00 C ATOM 167 CG LEU A 13 18.292 -9.096 -5.165 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.088 -8.650 -3.751 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.505 -10.009 -5.311 1.00 25.00 C ATOM 0 H LEU A 13 14.919 -10.819 -6.353 1.00 25.00 H new ATOM 0 HA LEU A 13 15.503 -8.662 -4.701 1.00 25.00 H new ATOM 0 HB2 LEU A 13 16.879 -10.711 -5.084 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.242 -10.159 -6.707 1.00 25.00 H new ATOM 0 HG LEU A 13 18.472 -8.198 -5.756 1.00 25.00 H new ATOM 0 HD11 LEU A 13 18.984 -8.140 -3.397 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.240 -7.967 -3.704 1.00 25.00 H new ATOM 0 HD13 LEU A 13 17.891 -9.517 -3.121 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.392 -9.497 -4.939 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.345 -10.922 -4.737 1.00 25.00 H new ATOM 0 HD23 LEU A 13 19.646 -10.262 -6.362 1.00 25.00 H new ATOM 181 N TYR A 14 15.642 -8.057 -7.873 1.00 25.00 N ATOM 182 CA TYR A 14 15.773 -7.066 -8.908 1.00 25.00 C ATOM 183 C TYR A 14 14.990 -5.808 -8.547 1.00 25.00 C ATOM 184 O TYR A 14 15.493 -4.715 -8.678 1.00 25.00 O ATOM 185 CB TYR A 14 15.286 -7.638 -10.251 1.00 25.00 C ATOM 186 CG TYR A 14 15.258 -6.617 -11.404 1.00 25.00 C ATOM 187 CD1 TYR A 14 16.394 -6.327 -12.172 1.00 25.00 C ATOM 188 CD2 TYR A 14 14.063 -5.931 -11.721 1.00 25.00 C ATOM 189 CE1 TYR A 14 16.359 -5.373 -13.173 1.00 25.00 C ATOM 190 CE2 TYR A 14 14.026 -4.966 -12.774 1.00 25.00 C ATOM 191 CZ TYR A 14 15.178 -4.718 -13.476 1.00 25.00 C ATOM 192 OH TYR A 14 15.155 -3.771 -14.471 1.00 25.00 O ATOM 0 H TYR A 14 15.301 -8.957 -8.212 1.00 25.00 H new ATOM 0 HA TYR A 14 16.825 -6.797 -9.003 1.00 25.00 H new ATOM 0 HB2 TYR A 14 15.932 -8.469 -10.534 1.00 25.00 H new ATOM 0 HB3 TYR A 14 14.283 -8.044 -10.117 1.00 25.00 H new ATOM 0 HD1 TYR A 14 17.314 -6.858 -11.979 1.00 25.00 H new ATOM 0 HD2 TYR A 14 13.165 -6.140 -11.159 1.00 25.00 H new ATOM 0 HE1 TYR A 14 17.259 -5.138 -13.722 1.00 25.00 H new ATOM 0 HE2 TYR A 14 13.111 -4.443 -13.012 1.00 25.00 H new ATOM 0 HH TYR A 14 14.249 -3.409 -14.557 1.00 25.00 H new ATOM 202 N GLN A 15 13.799 -5.973 -8.032 1.00 25.00 N ATOM 203 CA GLN A 15 12.969 -4.821 -7.651 1.00 25.00 C ATOM 204 C GLN A 15 13.351 -4.399 -6.235 1.00 25.00 C ATOM 205 O GLN A 15 13.342 -3.221 -5.920 1.00 25.00 O ATOM 206 CB GLN A 15 11.490 -5.171 -7.695 1.00 25.00 C ATOM 207 CG GLN A 15 10.538 -3.988 -7.362 1.00 25.00 C ATOM 208 CD GLN A 15 9.098 -4.243 -7.754 1.00 25.00 C ATOM 209 OE1 GLN A 15 8.491 -5.212 -7.356 1.00 25.00 O ATOM 210 NE2 GLN A 15 8.548 -3.344 -8.532 1.00 25.00 N ATOM 0 H GLN A 15 13.369 -6.882 -7.861 1.00 25.00 H new ATOM 0 HA GLN A 15 13.143 -4.008 -8.356 1.00 25.00 H new ATOM 0 HB2 GLN A 15 11.248 -5.547 -8.689 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.300 -5.982 -6.992 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.584 -3.785 -6.292 1.00 25.00 H new ATOM 0 HG3 GLN A 15 10.892 -3.092 -7.872 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.092 -2.541 -8.847 1.00 25.00 H new ATOM 0 HE22 GLN A 15 7.576 -3.447 -8.823 1.00 25.00 H new ATOM 219 N LEU A 16 13.638 -5.370 -5.364 1.00 25.00 N ATOM 220 CA LEU A 16 13.892 -5.078 -3.950 1.00 25.00 C ATOM 221 C LEU A 16 15.110 -4.153 -3.770 1.00 25.00 C ATOM 222 O LEU A 16 15.074 -3.243 -2.907 1.00 25.00 O ATOM 223 CB LEU A 16 14.123 -6.366 -3.142 1.00 25.00 C ATOM 224 CG LEU A 16 13.738 -6.505 -1.641 1.00 25.00 C ATOM 225 CD1 LEU A 16 14.389 -5.416 -0.767 1.00 25.00 C ATOM 226 CD2 LEU A 16 12.230 -6.525 -1.362 1.00 25.00 C ATOM 0 H LEU A 16 13.700 -6.358 -5.610 1.00 25.00 H new ATOM 0 HA LEU A 16 13.002 -4.572 -3.576 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.598 -7.161 -3.671 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.188 -6.587 -3.210 1.00 25.00 H new ATOM 0 HG LEU A 16 14.130 -7.486 -1.371 1.00 25.00 H new ATOM 0 HD11 LEU A 16 14.090 -5.556 0.272 1.00 25.00 H new ATOM 0 HD12 LEU A 16 15.474 -5.487 -0.845 1.00 25.00 H new ATOM 0 HD13 LEU A 16 14.065 -4.433 -1.109 1.00 25.00 H new ATOM 0 HD21 LEU A 16 12.060 -6.625 -0.290 1.00 25.00 H new ATOM 0 HD22 LEU A 16 11.782 -5.596 -1.716 1.00 25.00 H new ATOM 0 HD23 LEU A 16 11.775 -7.368 -1.882 1.00 25.00 H new ATOM 238 N GLU A 17 16.069 -4.271 -4.668 1.00 25.00 N ATOM 239 CA GLU A 17 17.234 -3.377 -4.683 1.00 25.00 C ATOM 240 C GLU A 17 16.925 -1.941 -4.979 1.00 25.00 C ATOM 241 O GLU A 17 17.746 -1.074 -4.720 1.00 25.00 O ATOM 242 CB GLU A 17 18.327 -3.882 -5.625 1.00 25.00 C ATOM 243 CG GLU A 17 19.069 -5.131 -5.069 1.00 25.00 C ATOM 244 CD GLU A 17 20.259 -5.488 -5.870 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.563 -5.002 -6.958 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.931 -6.416 -5.328 1.00 25.00 O ATOM 0 H GLU A 17 16.073 -4.977 -5.404 1.00 25.00 H new ATOM 0 HA GLU A 17 17.598 -3.402 -3.656 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.884 -4.127 -6.590 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.048 -3.084 -5.799 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.372 -4.941 -4.039 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.383 -5.977 -5.048 1.00 25.00 H new ATOM 254 N ASN A 18 15.729 -1.649 -5.479 1.00 25.00 N ATOM 255 CA ASN A 18 15.299 -0.236 -5.692 1.00 25.00 C ATOM 256 C ASN A 18 15.317 0.435 -4.334 1.00 25.00 C ATOM 257 O ASN A 18 15.705 1.573 -4.183 1.00 25.00 O ATOM 258 CB ASN A 18 13.901 -0.181 -6.262 1.00 25.00 C ATOM 259 CG ASN A 18 13.450 1.215 -6.631 1.00 25.00 C ATOM 260 OD1 ASN A 18 12.884 1.945 -5.837 1.00 25.00 O ATOM 261 ND2 ASN A 18 13.629 1.575 -7.874 1.00 25.00 N ATOM 0 H ASN A 18 15.036 -2.347 -5.747 1.00 25.00 H new ATOM 0 HA ASN A 18 15.965 0.262 -6.397 1.00 25.00 H new ATOM 0 HB2 ASN A 18 13.854 -0.815 -7.148 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.205 -0.598 -5.534 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.292 2.482 -8.196 1.00 25.00 H new ATOM 0 HD22 ASN A 18 14.106 0.949 -8.523 1.00 25.00 H new ATOM 268 N TYR A 19 14.877 -0.301 -3.300 1.00 25.00 N ATOM 269 CA TYR A 19 14.770 0.265 -1.978 1.00 25.00 C ATOM 270 C TYR A 19 16.106 0.197 -1.260 1.00 25.00 C ATOM 271 O TYR A 19 16.281 0.751 -0.190 1.00 25.00 O ATOM 272 CB TYR A 19 13.683 -0.473 -1.190 1.00 25.00 C ATOM 273 CG TYR A 19 12.468 -0.816 -2.085 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.624 0.204 -2.603 1.00 25.00 C ATOM 275 CD2 TYR A 19 12.177 -2.156 -2.414 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.489 -0.163 -3.458 1.00 25.00 C ATOM 277 CE2 TYR A 19 11.079 -2.495 -3.244 1.00 25.00 C ATOM 278 CZ TYR A 19 10.262 -1.496 -3.745 1.00 25.00 C ATOM 279 OH TYR A 19 9.243 -1.901 -4.534 1.00 25.00 O ATOM 0 H TYR A 19 14.596 -1.279 -3.369 1.00 25.00 H new ATOM 0 HA TYR A 19 14.490 1.315 -2.059 1.00 25.00 H new ATOM 0 HB2 TYR A 19 14.096 -1.389 -0.769 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.357 0.144 -0.353 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.817 1.241 -2.369 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.806 -2.943 -2.024 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.838 0.600 -3.859 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.881 -3.529 -3.485 1.00 25.00 H new ATOM 0 HH TYR A 19 9.258 -2.878 -4.612 1.00 25.00 H new ATOM 289 N CYS A 20 17.068 -0.545 -1.840 1.00 25.00 N ATOM 290 CA CYS A 20 18.362 -0.754 -1.218 1.00 25.00 C ATOM 291 C CYS A 20 19.491 -0.783 -2.255 1.00 25.00 C ATOM 292 O CYS A 20 20.107 -1.806 -2.493 1.00 25.00 O ATOM 293 CB CYS A 20 18.379 -2.097 -0.466 1.00 25.00 C ATOM 294 SG CYS A 20 17.375 -2.125 1.031 1.00 25.00 S ATOM 0 H CYS A 20 16.959 -1.006 -2.743 1.00 25.00 H new ATOM 0 HA CYS A 20 18.523 0.078 -0.532 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.029 -2.880 -1.138 1.00 25.00 H new ATOM 0 HB3 CYS A 20 19.409 -2.339 -0.203 1.00 25.00 H new ATOM 299 N ASN A 21 19.710 0.339 -2.944 1.00 25.00 N ATOM 300 CA ASN A 21 20.747 0.479 -3.980 1.00 25.00 C ATOM 301 C ASN A 21 22.145 0.487 -3.363 1.00 25.00 C ATOM 302 O ASN A 21 22.571 1.433 -2.698 1.00 25.00 O ATOM 303 CB ASN A 21 20.474 1.738 -4.916 1.00 25.00 C ATOM 304 CG ASN A 21 19.543 1.450 -6.082 1.00 25.00 C ATOM 305 OD1 ASN A 21 19.679 0.535 -6.824 1.00 25.00 O ATOM 306 ND2 ASN A 21 18.524 2.310 -6.261 1.00 25.00 N ATOM 307 OXT ASN A 21 22.824 -0.597 -3.569 1.00 25.00 O ATOM 0 H ASN A 21 19.167 1.190 -2.799 1.00 25.00 H new ATOM 0 HA ASN A 21 20.698 -0.396 -4.628 1.00 25.00 H new ATOM 0 HB2 ASN A 21 20.048 2.540 -4.314 1.00 25.00 H new ATOM 0 HB3 ASN A 21 21.425 2.102 -5.305 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.871 2.174 -7.033 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.404 3.098 -5.625 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.281 -16.006 -3.165 1.00 25.00 N ATOM 317 CA PHE B 31 18.059 -15.286 -2.743 1.00 25.00 C ATOM 318 C PHE B 31 16.784 -16.138 -2.693 1.00 25.00 C ATOM 319 O PHE B 31 16.691 -17.236 -3.191 1.00 25.00 O ATOM 320 CB PHE B 31 17.806 -14.168 -3.727 1.00 25.00 C ATOM 321 CG PHE B 31 16.749 -13.139 -3.360 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.009 -12.195 -2.382 1.00 25.00 C ATOM 323 CD2 PHE B 31 15.544 -13.135 -4.034 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.046 -11.254 -2.085 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.571 -12.192 -3.712 1.00 25.00 C ATOM 326 CZ PHE B 31 14.835 -11.220 -2.746 1.00 25.00 C ATOM 0 HA PHE B 31 18.253 -14.946 -1.726 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.747 -13.642 -3.888 1.00 25.00 H new ATOM 0 HB3 PHE B 31 17.524 -14.615 -4.680 1.00 25.00 H new ATOM 0 HD1 PHE B 31 17.954 -12.195 -1.858 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.356 -13.862 -4.810 1.00 25.00 H new ATOM 0 HE1 PHE B 31 16.245 -10.524 -1.314 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.613 -12.213 -4.210 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.106 -10.456 -2.520 1.00 25.00 H new ATOM 337 N VAL B 32 15.724 -15.541 -2.090 1.00 25.00 N ATOM 338 CA VAL B 32 14.397 -16.182 -1.999 1.00 25.00 C ATOM 339 C VAL B 32 13.315 -15.358 -2.733 1.00 25.00 C ATOM 340 O VAL B 32 12.831 -14.323 -2.223 1.00 25.00 O ATOM 341 CB VAL B 32 13.993 -16.415 -0.508 1.00 25.00 C ATOM 342 CG1 VAL B 32 12.596 -16.953 -0.395 1.00 25.00 C ATOM 343 CG2 VAL B 32 15.030 -17.311 0.147 1.00 25.00 C ATOM 0 H VAL B 32 15.768 -14.617 -1.661 1.00 25.00 H new ATOM 0 HA VAL B 32 14.468 -17.151 -2.494 1.00 25.00 H new ATOM 0 HB VAL B 32 13.980 -15.464 0.025 1.00 25.00 H new ATOM 0 HG11 VAL B 32 12.348 -17.103 0.656 1.00 25.00 H new ATOM 0 HG12 VAL B 32 11.896 -16.243 -0.835 1.00 25.00 H new ATOM 0 HG13 VAL B 32 12.529 -17.904 -0.923 1.00 25.00 H new ATOM 0 HG21 VAL B 32 14.758 -17.481 1.189 1.00 25.00 H new ATOM 0 HG22 VAL B 32 15.070 -18.266 -0.378 1.00 25.00 H new ATOM 0 HG23 VAL B 32 16.007 -16.831 0.101 1.00 25.00 H new ATOM 353 N ASN B 33 12.902 -15.858 -3.883 1.00 25.00 N ATOM 354 CA ASN B 33 11.838 -15.204 -4.640 1.00 25.00 C ATOM 355 C ASN B 33 10.439 -15.655 -4.196 1.00 25.00 C ATOM 356 O ASN B 33 10.040 -16.781 -4.472 1.00 25.00 O ATOM 357 CB ASN B 33 12.044 -15.469 -6.134 1.00 25.00 C ATOM 358 CG ASN B 33 13.311 -14.894 -6.647 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.518 -13.678 -6.592 1.00 25.00 O ATOM 360 ND2 ASN B 33 14.157 -15.721 -7.168 1.00 25.00 N ATOM 0 H ASN B 33 13.278 -16.703 -4.313 1.00 25.00 H new ATOM 0 HA ASN B 33 11.894 -14.133 -4.443 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.039 -16.544 -6.312 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.207 -15.050 -6.692 1.00 25.00 H new ATOM 0 HD21 ASN B 33 15.036 -15.376 -7.554 1.00 25.00 H new ATOM 0 HD22 ASN B 33 13.946 -16.719 -7.193 1.00 25.00 H new ATOM 367 N GLN B 34 9.753 -14.798 -3.485 1.00 25.00 N ATOM 368 CA GLN B 34 8.425 -15.117 -2.947 1.00 25.00 C ATOM 369 C GLN B 34 7.666 -13.819 -2.937 1.00 25.00 C ATOM 370 O GLN B 34 8.180 -12.806 -3.394 1.00 25.00 O ATOM 371 CB GLN B 34 8.547 -15.738 -1.574 1.00 25.00 C ATOM 372 CG GLN B 34 8.913 -17.230 -1.531 1.00 25.00 C ATOM 373 CD GLN B 34 8.826 -17.813 -0.147 1.00 25.00 C ATOM 374 OE1 GLN B 34 9.396 -17.276 0.803 1.00 25.00 O ATOM 375 NE2 GLN B 34 8.045 -18.854 0.005 1.00 25.00 N ATOM 0 H GLN B 34 10.083 -13.861 -3.255 1.00 25.00 H new ATOM 0 HA GLN B 34 7.896 -15.854 -3.551 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.301 -15.185 -1.014 1.00 25.00 H new ATOM 0 HB3 GLN B 34 7.600 -15.603 -1.052 1.00 25.00 H new ATOM 0 HG2 GLN B 34 8.248 -17.782 -2.195 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.925 -17.362 -1.913 1.00 25.00 H new ATOM 0 HE21 GLN B 34 7.589 -19.272 -0.806 1.00 25.00 H new ATOM 0 HE22 GLN B 34 7.893 -19.246 0.934 1.00 25.00 H new ATOM 384 N HIS B 35 6.446 -13.810 -2.409 1.00 25.00 N ATOM 385 CA HIS B 35 5.690 -12.575 -2.318 1.00 25.00 C ATOM 386 C HIS B 35 6.303 -11.612 -1.296 1.00 25.00 C ATOM 387 O HIS B 35 6.212 -10.440 -1.431 1.00 25.00 O ATOM 388 CB HIS B 35 4.239 -12.865 -1.901 1.00 25.00 C ATOM 389 CG HIS B 35 3.534 -13.831 -2.789 1.00 25.00 C ATOM 390 ND1 HIS B 35 3.294 -13.571 -4.122 1.00 25.00 N ATOM 391 CD2 HIS B 35 2.945 -15.030 -2.546 1.00 25.00 C ATOM 392 CE1 HIS B 35 2.657 -14.620 -4.662 1.00 25.00 C ATOM 393 NE2 HIS B 35 2.417 -15.481 -3.718 1.00 25.00 N ATOM 0 H HIS B 35 5.969 -14.634 -2.043 1.00 25.00 H new ATOM 0 HA HIS B 35 5.716 -12.112 -3.304 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.235 -13.254 -0.883 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.682 -11.928 -1.886 1.00 25.00 H new ATOM 0 HD1 HIS B 35 3.558 -12.719 -4.617 1.00 25.00 H new ATOM 0 HD2 HIS B 35 2.903 -15.536 -1.593 1.00 25.00 H new ATOM 0 HE1 HIS B 35 2.389 -14.731 -5.702 1.00 25.00 H new ATOM 402 N LEU B 36 6.958 -12.178 -0.273 1.00 25.00 N ATOM 403 CA LEU B 36 7.623 -11.398 0.788 1.00 25.00 C ATOM 404 C LEU B 36 6.671 -10.395 1.426 1.00 25.00 C ATOM 405 O LEU B 36 6.634 -9.234 1.060 1.00 25.00 O ATOM 406 CB LEU B 36 8.880 -10.682 0.239 1.00 25.00 C ATOM 407 CG LEU B 36 10.242 -11.268 0.659 1.00 25.00 C ATOM 408 CD1 LEU B 36 10.326 -12.688 0.106 1.00 25.00 C ATOM 409 CD2 LEU B 36 11.416 -10.458 0.241 1.00 25.00 C ATOM 0 H LEU B 36 7.044 -13.188 -0.155 1.00 25.00 H new ATOM 0 HA LEU B 36 7.935 -12.099 1.563 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.827 -10.687 -0.850 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.845 -9.640 0.555 1.00 25.00 H new ATOM 0 HG LEU B 36 10.288 -11.262 1.748 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.281 -13.132 0.387 1.00 25.00 H new ATOM 0 HD12 LEU B 36 9.513 -13.287 0.516 1.00 25.00 H new ATOM 0 HD13 LEU B 36 10.244 -12.661 -0.981 1.00 25.00 H new ATOM 0 HD21 LEU B 36 12.332 -10.944 0.578 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.430 -10.371 -0.845 1.00 25.00 H new ATOM 0 HD23 LEU B 36 11.349 -9.464 0.684 1.00 25.00 H new ATOM 421 N CYS B 37 5.847 -10.867 2.336 1.00 25.00 N ATOM 422 CA CYS B 37 4.899 -10.025 3.042 1.00 25.00 C ATOM 423 C CYS B 37 5.070 -10.238 4.554 1.00 25.00 C ATOM 424 O CYS B 37 5.749 -11.199 5.002 1.00 25.00 O ATOM 425 CB CYS B 37 3.456 -10.354 2.579 1.00 25.00 C ATOM 426 SG CYS B 37 2.387 -8.895 2.422 1.00 25.00 S ATOM 0 H CYS B 37 5.814 -11.849 2.610 1.00 25.00 H new ATOM 0 HA CYS B 37 5.086 -8.975 2.818 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.501 -10.865 1.617 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.006 -11.048 3.289 1.00 25.00 H new ATOM 431 N GLY B 38 4.529 -9.319 5.356 1.00 25.00 N ATOM 432 CA GLY B 38 4.631 -9.402 6.815 1.00 25.00 C ATOM 433 C GLY B 38 6.089 -9.225 7.204 1.00 25.00 C ATOM 434 O GLY B 38 6.806 -8.422 6.634 1.00 25.00 O ATOM 0 H GLY B 38 4.014 -8.506 5.019 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.017 -8.632 7.283 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.258 -10.364 7.167 1.00 25.00 H new ATOM 438 N SER B 39 6.536 -9.959 8.203 1.00 25.00 N ATOM 439 CA SER B 39 7.925 -9.923 8.687 1.00 25.00 C ATOM 440 C SER B 39 8.987 -10.283 7.644 1.00 25.00 C ATOM 441 O SER B 39 10.077 -9.719 7.678 1.00 25.00 O ATOM 442 CB SER B 39 8.055 -10.893 9.847 1.00 25.00 C ATOM 443 OG SER B 39 7.061 -10.605 10.798 1.00 25.00 O ATOM 0 H SER B 39 5.945 -10.612 8.718 1.00 25.00 H new ATOM 0 HA SER B 39 8.115 -8.888 8.970 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.952 -11.919 9.493 1.00 25.00 H new ATOM 0 HB3 SER B 39 9.044 -10.810 10.299 1.00 25.00 H new ATOM 0 HG SER B 39 7.137 -11.229 11.550 1.00 25.00 H new ATOM 449 N HIS B 40 8.639 -11.188 6.716 1.00 25.00 N ATOM 450 CA HIS B 40 9.602 -11.628 5.704 1.00 25.00 C ATOM 451 C HIS B 40 10.110 -10.423 4.904 1.00 25.00 C ATOM 452 O HIS B 40 11.308 -10.340 4.618 1.00 25.00 O ATOM 453 CB HIS B 40 8.970 -12.651 4.721 1.00 25.00 C ATOM 454 CG HIS B 40 8.898 -14.053 5.227 1.00 25.00 C ATOM 455 ND1 HIS B 40 9.860 -15.030 4.958 1.00 25.00 N ATOM 456 CD2 HIS B 40 7.956 -14.693 5.985 1.00 25.00 C ATOM 457 CE1 HIS B 40 9.487 -16.175 5.498 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.365 -15.998 6.165 1.00 25.00 N ATOM 0 H HIS B 40 7.717 -11.620 6.648 1.00 25.00 H new ATOM 0 HA HIS B 40 10.428 -12.110 6.227 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.962 -12.318 4.473 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.545 -12.644 3.795 1.00 25.00 H new ATOM 0 HD2 HIS B 40 7.050 -14.253 6.375 1.00 25.00 H new ATOM 0 HE1 HIS B 40 10.019 -17.111 5.407 1.00 25.00 H new ATOM 0 HE2 HIS B 40 7.882 -16.705 6.719 1.00 25.00 H new ATOM 467 N LEU B 41 9.195 -9.543 4.498 1.00 25.00 N ATOM 468 CA LEU B 41 9.546 -8.375 3.675 1.00 25.00 C ATOM 469 C LEU B 41 10.615 -7.477 4.355 1.00 25.00 C ATOM 470 O LEU B 41 11.635 -7.145 3.734 1.00 25.00 O ATOM 471 CB LEU B 41 8.297 -7.521 3.438 1.00 25.00 C ATOM 472 CG LEU B 41 8.466 -6.235 2.619 1.00 25.00 C ATOM 473 CD1 LEU B 41 8.972 -6.518 1.200 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.129 -5.590 2.574 1.00 25.00 C ATOM 0 H LEU B 41 8.203 -9.613 4.723 1.00 25.00 H new ATOM 0 HA LEU B 41 9.953 -8.755 2.738 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.554 -8.143 2.939 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.885 -7.250 4.410 1.00 25.00 H new ATOM 0 HG LEU B 41 9.212 -5.589 3.082 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.077 -5.579 0.657 1.00 25.00 H new ATOM 0 HD12 LEU B 41 9.940 -7.017 1.252 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.260 -7.160 0.681 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.190 -4.665 2.000 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.416 -6.264 2.100 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.798 -5.367 3.588 1.00 25.00 H new ATOM 486 N VAL B 42 10.363 -7.100 5.599 1.00 25.00 N ATOM 487 CA VAL B 42 11.215 -6.184 6.331 1.00 25.00 C ATOM 488 C VAL B 42 12.519 -6.857 6.800 1.00 25.00 C ATOM 489 O VAL B 42 13.574 -6.217 6.871 1.00 25.00 O ATOM 490 CB VAL B 42 10.438 -5.525 7.502 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.310 -4.647 6.972 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.815 -6.558 8.494 1.00 25.00 C ATOM 0 H VAL B 42 9.555 -7.425 6.130 1.00 25.00 H new ATOM 0 HA VAL B 42 11.514 -5.389 5.648 1.00 25.00 H new ATOM 0 HB VAL B 42 11.177 -4.934 8.043 1.00 25.00 H new ATOM 0 HG11 VAL B 42 8.778 -4.194 7.808 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.726 -3.863 6.339 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.619 -5.255 6.389 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.287 -6.028 9.287 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.116 -7.200 7.959 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.607 -7.167 8.930 1.00 25.00 H new ATOM 502 N GLU B 43 12.488 -8.156 7.050 1.00 25.00 N ATOM 503 CA GLU B 43 13.742 -8.889 7.438 1.00 25.00 C ATOM 504 C GLU B 43 14.678 -9.127 6.266 1.00 25.00 C ATOM 505 O GLU B 43 15.898 -8.992 6.395 1.00 25.00 O ATOM 506 CB GLU B 43 13.357 -10.229 8.056 1.00 25.00 C ATOM 507 CG GLU B 43 14.549 -10.988 8.631 1.00 25.00 C ATOM 508 CD GLU B 43 14.149 -12.293 9.320 1.00 25.00 C ATOM 509 OE1 GLU B 43 13.055 -12.761 9.253 1.00 25.00 O ATOM 510 OE2 GLU B 43 15.086 -12.823 10.022 1.00 25.00 O ATOM 0 H GLU B 43 11.649 -8.734 7.001 1.00 25.00 H new ATOM 0 HA GLU B 43 14.279 -8.263 8.151 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.625 -10.061 8.846 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.872 -10.846 7.299 1.00 25.00 H new ATOM 0 HG2 GLU B 43 15.254 -11.208 7.829 1.00 25.00 H new ATOM 0 HG3 GLU B 43 15.068 -10.350 9.346 1.00 25.00 H new ATOM 518 N ALA B 44 14.132 -9.457 5.107 1.00 25.00 N ATOM 519 CA ALA B 44 14.959 -9.620 3.918 1.00 25.00 C ATOM 520 C ALA B 44 15.468 -8.237 3.479 1.00 25.00 C ATOM 521 O ALA B 44 16.642 -8.151 3.008 1.00 25.00 O ATOM 522 CB ALA B 44 14.159 -10.335 2.769 1.00 25.00 C ATOM 0 H ALA B 44 13.135 -9.616 4.962 1.00 25.00 H new ATOM 0 HA ALA B 44 15.813 -10.257 4.148 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.799 -10.444 1.893 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.837 -11.320 3.108 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.286 -9.738 2.508 1.00 25.00 H new ATOM 528 N LEU B 45 14.682 -7.180 3.686 1.00 25.00 N ATOM 529 CA LEU B 45 15.205 -5.851 3.354 1.00 25.00 C ATOM 530 C LEU B 45 16.326 -5.402 4.310 1.00 25.00 C ATOM 531 O LEU B 45 17.378 -4.900 3.854 1.00 25.00 O ATOM 532 CB LEU B 45 14.049 -4.788 3.363 1.00 25.00 C ATOM 533 CG LEU B 45 14.283 -3.413 2.697 1.00 25.00 C ATOM 534 CD1 LEU B 45 13.037 -2.950 1.949 1.00 25.00 C ATOM 535 CD2 LEU B 45 14.692 -2.365 3.713 1.00 25.00 C ATOM 0 H LEU B 45 13.734 -7.207 4.060 1.00 25.00 H new ATOM 0 HA LEU B 45 15.633 -5.924 2.354 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.182 -5.242 2.882 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.778 -4.607 4.403 1.00 25.00 H new ATOM 0 HG LEU B 45 15.098 -3.536 1.984 1.00 25.00 H new ATOM 0 HD11 LEU B 45 13.228 -1.980 1.489 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.787 -3.675 1.175 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.205 -2.863 2.647 1.00 25.00 H new ATOM 0 HD21 LEU B 45 14.848 -1.411 3.209 1.00 25.00 H new ATOM 0 HD22 LEU B 45 13.906 -2.256 4.460 1.00 25.00 H new ATOM 0 HD23 LEU B 45 15.617 -2.673 4.201 1.00 25.00 H new ATOM 547 N TYR B 46 16.144 -5.648 5.604 1.00 25.00 N ATOM 548 CA TYR B 46 17.178 -5.326 6.603 1.00 25.00 C ATOM 549 C TYR B 46 18.514 -5.935 6.215 1.00 25.00 C ATOM 550 O TYR B 46 19.544 -5.318 6.277 1.00 25.00 O ATOM 551 CB TYR B 46 16.757 -5.849 7.977 1.00 25.00 C ATOM 552 CG TYR B 46 17.862 -5.900 8.962 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.306 -4.755 9.618 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.484 -7.132 9.246 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.354 -4.796 10.515 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.572 -7.179 10.134 1.00 25.00 C ATOM 557 CZ TYR B 46 20.015 -6.004 10.761 1.00 25.00 C ATOM 558 OH TYR B 46 21.082 -6.069 11.625 1.00 25.00 O ATOM 0 H TYR B 46 15.298 -6.066 5.991 1.00 25.00 H new ATOM 0 HA TYR B 46 17.288 -4.242 6.643 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.962 -5.214 8.369 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.339 -6.849 7.862 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.818 -3.812 9.420 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.125 -8.039 8.782 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.663 -3.896 11.026 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.067 -8.118 10.334 1.00 25.00 H new ATOM 0 HH TYR B 46 21.411 -6.991 11.670 1.00 25.00 H new ATOM 568 N LEU B 47 18.444 -7.179 5.822 1.00 25.00 N ATOM 569 CA LEU B 47 19.614 -7.940 5.476 1.00 25.00 C ATOM 570 C LEU B 47 20.328 -7.405 4.245 1.00 25.00 C ATOM 571 O LEU B 47 21.527 -7.289 4.261 1.00 25.00 O ATOM 572 CB LEU B 47 19.217 -9.379 5.254 1.00 25.00 C ATOM 573 CG LEU B 47 19.003 -10.246 6.487 1.00 25.00 C ATOM 574 CD1 LEU B 47 18.246 -11.494 6.077 1.00 25.00 C ATOM 575 CD2 LEU B 47 20.317 -10.594 7.207 1.00 25.00 C ATOM 0 H LEU B 47 17.569 -7.695 5.733 1.00 25.00 H new ATOM 0 HA LEU B 47 20.317 -7.856 6.305 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.295 -9.388 4.672 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.986 -9.850 4.641 1.00 25.00 H new ATOM 0 HG LEU B 47 18.417 -9.679 7.211 1.00 25.00 H new ATOM 0 HD11 LEU B 47 18.085 -12.126 6.951 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.283 -11.212 5.651 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.825 -12.043 5.334 1.00 25.00 H new ATOM 0 HD21 LEU B 47 20.102 -11.213 8.078 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.971 -11.139 6.527 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.810 -9.676 7.527 1.00 25.00 H new ATOM 587 N VAL B 48 19.582 -7.135 3.179 1.00 25.00 N ATOM 588 CA VAL B 48 20.178 -6.760 1.908 1.00 25.00 C ATOM 589 C VAL B 48 20.685 -5.290 1.940 1.00 25.00 C ATOM 590 O VAL B 48 21.597 -4.941 1.216 1.00 25.00 O ATOM 591 CB VAL B 48 19.185 -7.070 0.719 1.00 25.00 C ATOM 592 CG1 VAL B 48 17.986 -6.155 0.685 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.900 -7.068 -0.623 1.00 25.00 C ATOM 0 H VAL B 48 18.563 -7.170 3.173 1.00 25.00 H new ATOM 0 HA VAL B 48 21.064 -7.370 1.731 1.00 25.00 H new ATOM 0 HB VAL B 48 18.805 -8.074 0.909 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.347 -6.424 -0.156 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.425 -6.256 1.614 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.319 -5.123 0.572 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.185 -7.285 -1.417 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.347 -6.089 -0.795 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.681 -7.829 -0.620 1.00 25.00 H new ATOM 603 N CYS B 49 20.040 -4.455 2.743 1.00 25.00 N ATOM 604 CA CYS B 49 20.432 -3.046 2.881 1.00 25.00 C ATOM 605 C CYS B 49 21.664 -3.002 3.854 1.00 25.00 C ATOM 606 O CYS B 49 22.711 -2.424 3.501 1.00 25.00 O ATOM 607 CB CYS B 49 19.249 -2.221 3.452 1.00 25.00 C ATOM 608 SG CYS B 49 18.485 -1.021 2.306 1.00 25.00 S ATOM 0 H CYS B 49 19.239 -4.724 3.314 1.00 25.00 H new ATOM 0 HA CYS B 49 20.697 -2.615 1.916 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.478 -2.914 3.789 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.599 -1.681 4.332 1.00 25.00 H new ATOM 613 N GLY B 50 21.547 -3.679 4.991 1.00 25.00 N ATOM 614 CA GLY B 50 22.663 -3.798 5.952 1.00 25.00 C ATOM 615 C GLY B 50 22.759 -2.619 6.932 1.00 25.00 C ATOM 616 O GLY B 50 23.824 -2.298 7.444 1.00 25.00 O ATOM 0 H GLY B 50 20.694 -4.158 5.280 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.547 -4.722 6.518 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.600 -3.878 5.400 1.00 25.00 H new ATOM 620 N GLU B 51 21.624 -1.980 7.155 1.00 25.00 N ATOM 621 CA GLU B 51 21.492 -0.860 8.096 1.00 25.00 C ATOM 622 C GLU B 51 20.273 -1.087 9.042 1.00 25.00 C ATOM 623 O GLU B 51 19.451 -1.932 8.812 1.00 25.00 O ATOM 624 CB GLU B 51 21.318 0.482 7.344 1.00 25.00 C ATOM 625 CG GLU B 51 22.503 0.941 6.447 1.00 25.00 C ATOM 626 CD GLU B 51 22.493 0.290 5.117 1.00 25.00 C ATOM 627 OE1 GLU B 51 21.568 0.320 4.377 1.00 25.00 O ATOM 628 OE2 GLU B 51 23.575 -0.319 4.823 1.00 25.00 O ATOM 0 H GLU B 51 20.751 -2.221 6.686 1.00 25.00 H new ATOM 0 HA GLU B 51 22.407 -0.813 8.687 1.00 25.00 H new ATOM 0 HB2 GLU B 51 20.428 0.409 6.720 1.00 25.00 H new ATOM 0 HB3 GLU B 51 21.127 1.262 8.081 1.00 25.00 H new ATOM 0 HG2 GLU B 51 22.460 2.023 6.319 1.00 25.00 H new ATOM 0 HG3 GLU B 51 23.443 0.717 6.950 1.00 25.00 H new ATOM 636 N GLN B 52 20.192 -0.290 10.101 1.00 25.00 N ATOM 637 CA GLN B 52 19.090 -0.304 11.065 1.00 25.00 C ATOM 638 C GLN B 52 17.866 0.448 10.450 1.00 25.00 C ATOM 639 O GLN B 52 17.403 1.413 11.008 1.00 25.00 O ATOM 640 CB GLN B 52 19.553 0.317 12.370 1.00 25.00 C ATOM 641 CG GLN B 52 20.614 -0.494 13.118 1.00 25.00 C ATOM 642 CD GLN B 52 20.059 -1.714 13.788 1.00 25.00 C ATOM 643 OE1 GLN B 52 19.132 -1.592 14.558 1.00 25.00 O ATOM 644 NE2 GLN B 52 20.616 -2.883 13.539 1.00 25.00 N ATOM 0 H GLN B 52 20.907 0.403 10.322 1.00 25.00 H new ATOM 0 HA GLN B 52 18.778 -1.326 11.283 1.00 25.00 H new ATOM 0 HB2 GLN B 52 19.952 1.310 12.164 1.00 25.00 H new ATOM 0 HB3 GLN B 52 18.689 0.449 13.021 1.00 25.00 H new ATOM 0 HG2 GLN B 52 21.393 -0.795 12.418 1.00 25.00 H new ATOM 0 HG3 GLN B 52 21.087 0.141 13.867 1.00 25.00 H new ATOM 0 HE21 GLN B 52 21.395 -2.947 12.884 1.00 25.00 H new ATOM 0 HE22 GLN B 52 20.267 -3.723 14.001 1.00 25.00 H new ATOM 653 N GLY B 53 17.344 -0.040 9.340 1.00 25.00 N ATOM 654 CA GLY B 53 16.211 0.583 8.690 1.00 25.00 C ATOM 655 C GLY B 53 14.948 0.414 9.516 1.00 25.00 C ATOM 656 O GLY B 53 14.044 1.237 9.470 1.00 25.00 O ATOM 0 H GLY B 53 17.692 -0.874 8.868 1.00 25.00 H new ATOM 0 HA2 GLY B 53 16.412 1.644 8.539 1.00 25.00 H new ATOM 0 HA3 GLY B 53 16.066 0.143 7.703 1.00 25.00 H new ATOM 660 N PHE B 54 14.941 -0.603 10.334 1.00 25.00 N ATOM 661 CA PHE B 54 13.806 -0.916 11.208 1.00 25.00 C ATOM 662 C PHE B 54 14.362 -1.013 12.595 1.00 25.00 C ATOM 663 O PHE B 54 15.369 -1.701 12.786 1.00 25.00 O ATOM 664 CB PHE B 54 13.103 -2.180 10.768 1.00 25.00 C ATOM 665 CG PHE B 54 12.766 -2.182 9.321 1.00 25.00 C ATOM 666 CD1 PHE B 54 11.654 -1.441 8.838 1.00 25.00 C ATOM 667 CD2 PHE B 54 13.543 -2.955 8.452 1.00 25.00 C ATOM 668 CE1 PHE B 54 11.355 -1.475 7.471 1.00 25.00 C ATOM 669 CE2 PHE B 54 13.220 -3.005 7.032 1.00 25.00 C ATOM 670 CZ PHE B 54 12.150 -2.279 6.551 1.00 25.00 C ATOM 0 H PHE B 54 15.722 -1.253 10.425 1.00 25.00 H new ATOM 0 HA PHE B 54 13.040 -0.142 11.164 1.00 25.00 H new ATOM 0 HB2 PHE B 54 13.738 -3.038 10.989 1.00 25.00 H new ATOM 0 HB3 PHE B 54 12.189 -2.302 11.349 1.00 25.00 H new ATOM 0 HD1 PHE B 54 11.048 -0.859 9.517 1.00 25.00 H new ATOM 0 HD2 PHE B 54 14.383 -3.516 8.834 1.00 25.00 H new ATOM 0 HE1 PHE B 54 10.524 -0.898 7.093 1.00 25.00 H new ATOM 0 HE2 PHE B 54 13.814 -3.607 6.360 1.00 25.00 H new ATOM 0 HZ PHE B 54 11.903 -2.306 5.500 1.00 25.00 H new ATOM 680 N PHE B 55 13.714 -0.364 13.547 1.00 25.00 N ATOM 681 CA PHE B 55 14.146 -0.410 14.928 1.00 25.00 C ATOM 682 C PHE B 55 13.339 -1.513 15.618 1.00 25.00 C ATOM 683 O PHE B 55 12.547 -1.269 16.503 1.00 25.00 O ATOM 684 CB PHE B 55 14.053 0.944 15.594 1.00 25.00 C ATOM 685 CG PHE B 55 14.827 2.025 14.869 1.00 25.00 C ATOM 686 CD1 PHE B 55 16.228 2.011 14.875 1.00 25.00 C ATOM 687 CD2 PHE B 55 14.139 3.034 14.180 1.00 25.00 C ATOM 688 CE1 PHE B 55 16.980 3.040 14.208 1.00 25.00 C ATOM 689 CE2 PHE B 55 14.862 4.056 13.479 1.00 25.00 C ATOM 690 CZ PHE B 55 16.269 4.036 13.519 1.00 25.00 C ATOM 0 H PHE B 55 12.882 0.204 13.384 1.00 25.00 H new ATOM 0 HA PHE B 55 15.205 -0.657 15.003 1.00 25.00 H new ATOM 0 HB2 PHE B 55 13.005 1.238 15.658 1.00 25.00 H new ATOM 0 HB3 PHE B 55 14.424 0.864 16.616 1.00 25.00 H new ATOM 0 HD1 PHE B 55 16.751 1.217 15.387 1.00 25.00 H new ATOM 0 HD2 PHE B 55 13.059 3.042 14.177 1.00 25.00 H new ATOM 0 HE1 PHE B 55 18.060 3.046 14.236 1.00 25.00 H new ATOM 0 HE2 PHE B 55 14.337 4.825 12.932 1.00 25.00 H new ATOM 0 HZ PHE B 55 16.818 4.810 13.004 1.00 25.00 H new ATOM 700 N TYR B 56 13.570 -2.752 15.163 1.00 25.00 N ATOM 701 CA TYR B 56 12.893 -3.914 15.692 1.00 25.00 C ATOM 702 C TYR B 56 13.841 -5.057 15.887 1.00 25.00 C ATOM 703 O TYR B 56 14.728 -5.271 15.082 1.00 25.00 O ATOM 704 CB TYR B 56 11.752 -4.335 14.776 1.00 25.00 C ATOM 705 CG TYR B 56 10.914 -5.447 15.365 1.00 25.00 C ATOM 706 CD1 TYR B 56 9.832 -5.152 16.267 1.00 25.00 C ATOM 707 CD2 TYR B 56 11.193 -6.782 15.077 1.00 25.00 C ATOM 708 CE1 TYR B 56 9.038 -6.220 16.786 1.00 25.00 C ATOM 709 CE2 TYR B 56 10.437 -7.833 15.600 1.00 25.00 C ATOM 710 CZ TYR B 56 9.335 -7.537 16.445 1.00 25.00 C ATOM 711 OH TYR B 56 8.602 -8.634 16.847 1.00 25.00 O ATOM 0 H TYR B 56 14.234 -2.963 14.418 1.00 25.00 H new ATOM 0 HA TYR B 56 12.484 -3.640 16.665 1.00 25.00 H new ATOM 0 HB2 TYR B 56 11.116 -3.473 14.575 1.00 25.00 H new ATOM 0 HB3 TYR B 56 12.160 -4.660 13.819 1.00 25.00 H new ATOM 0 HD1 TYR B 56 9.622 -4.131 16.549 1.00 25.00 H new ATOM 0 HD2 TYR B 56 12.024 -7.012 14.426 1.00 25.00 H new ATOM 0 HE1 TYR B 56 8.208 -6.006 17.443 1.00 25.00 H new ATOM 0 HE2 TYR B 56 10.687 -8.857 15.365 1.00 25.00 H new ATOM 0 HH TYR B 56 9.005 -9.449 16.481 1.00 25.00 H new ATOM 721 N THR B 57 13.612 -5.853 16.925 1.00 25.00 N ATOM 722 CA THR B 57 14.432 -7.042 17.141 1.00 25.00 C ATOM 723 C THR B 57 13.538 -8.081 17.770 1.00 25.00 C ATOM 724 O THR B 57 12.626 -7.746 18.567 1.00 25.00 O ATOM 725 CB THR B 57 15.769 -6.731 17.986 1.00 25.00 C ATOM 726 OG1 THR B 57 16.686 -7.826 17.820 1.00 25.00 O ATOM 727 CG2 THR B 57 15.524 -6.517 19.481 1.00 25.00 C ATOM 0 H THR B 57 12.880 -5.703 17.619 1.00 25.00 H new ATOM 0 HA THR B 57 14.819 -7.421 16.195 1.00 25.00 H new ATOM 0 HB THR B 57 16.173 -5.796 17.599 1.00 25.00 H new ATOM 0 HG1 THR B 57 17.504 -7.647 18.328 1.00 25.00 H new ATOM 0 HG21 THR B 57 16.472 -6.313 19.979 1.00 25.00 H new ATOM 0 HG22 THR B 57 14.851 -5.672 19.622 1.00 25.00 H new ATOM 0 HG23 THR B 57 15.075 -7.414 19.908 1.00 25.00 H new ATOM 735 N PRO B 58 13.725 -9.380 17.412 1.00 25.00 N ATOM 736 CA PRO B 58 12.769 -10.291 18.076 1.00 25.00 C ATOM 737 C PRO B 58 13.086 -10.523 19.583 1.00 25.00 C ATOM 738 O PRO B 58 13.874 -11.387 19.934 1.00 25.00 O ATOM 739 CB PRO B 58 12.910 -11.609 17.284 1.00 25.00 C ATOM 740 CG PRO B 58 14.326 -11.552 16.773 1.00 25.00 C ATOM 741 CD PRO B 58 14.585 -10.094 16.436 1.00 25.00 C ATOM 0 HA PRO B 58 11.761 -9.877 18.070 1.00 25.00 H new ATOM 0 HB2 PRO B 58 12.745 -12.480 17.918 1.00 25.00 H new ATOM 0 HB3 PRO B 58 12.189 -11.668 16.468 1.00 25.00 H new ATOM 0 HG2 PRO B 58 15.028 -11.910 17.526 1.00 25.00 H new ATOM 0 HG3 PRO B 58 14.451 -12.185 15.894 1.00 25.00 H new ATOM 0 HD2 PRO B 58 15.636 -9.831 16.553 1.00 25.00 H new ATOM 0 HD3 PRO B 58 14.311 -9.861 15.407 1.00 25.00 H new ATOM 749 N LYS B 59 12.434 -9.771 20.466 1.00 25.00 N ATOM 750 CA LYS B 59 12.561 -10.020 21.897 1.00 25.00 C ATOM 751 C LYS B 59 11.274 -9.681 22.626 1.00 25.00 C ATOM 752 O LYS B 59 10.922 -8.533 22.807 1.00 25.00 O ATOM 753 CB LYS B 59 13.698 -9.179 22.511 1.00 25.00 C ATOM 754 CG LYS B 59 13.999 -9.469 23.986 1.00 25.00 C ATOM 755 CD LYS B 59 15.260 -8.768 24.488 1.00 25.00 C ATOM 756 CE LYS B 59 15.117 -7.200 24.566 1.00 25.00 C ATOM 757 NZ LYS B 59 14.135 -6.794 25.631 1.00 25.00 N ATOM 0 H LYS B 59 11.820 -8.994 20.219 1.00 25.00 H new ATOM 0 HA LYS B 59 12.784 -11.081 22.013 1.00 25.00 H new ATOM 0 HB2 LYS B 59 14.606 -9.346 21.932 1.00 25.00 H new ATOM 0 HB3 LYS B 59 13.444 -8.124 22.409 1.00 25.00 H new ATOM 0 HG2 LYS B 59 13.150 -9.155 24.593 1.00 25.00 H new ATOM 0 HG3 LYS B 59 14.109 -10.545 24.124 1.00 25.00 H new ATOM 0 HD2 LYS B 59 15.511 -9.152 25.477 1.00 25.00 H new ATOM 0 HD3 LYS B 59 16.092 -9.017 23.829 1.00 25.00 H new ATOM 0 HE2 LYS B 59 16.089 -6.754 24.775 1.00 25.00 H new ATOM 0 HE3 LYS B 59 14.790 -6.814 23.600 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 14.125 -5.758 25.717 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 13.185 -7.129 25.373 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 14.416 -7.214 26.540 1.00 25.00 H new ATOM 771 N THR B 60 10.556 -10.740 23.012 1.00 25.00 N ATOM 772 CA THR B 60 9.245 -10.638 23.697 1.00 25.00 C ATOM 773 C THR B 60 9.236 -11.237 25.073 1.00 25.00 C ATOM 774 O THR B 60 9.472 -12.391 25.292 1.00 25.00 O ATOM 775 CB THR B 60 8.205 -11.296 22.809 1.00 25.00 C ATOM 776 OG1 THR B 60 8.783 -11.427 21.535 1.00 25.00 O ATOM 777 CG2 THR B 60 6.905 -10.450 22.657 1.00 25.00 C ATOM 778 OXT THR B 60 9.038 -10.348 26.001 1.00 25.00 O ATOM 0 H THR B 60 10.862 -11.701 22.861 1.00 25.00 H new ATOM 0 HA THR B 60 9.019 -9.583 23.849 1.00 25.00 H new ATOM 0 HB THR B 60 7.922 -12.247 23.260 1.00 25.00 H new ATOM 0 HG1 THR B 60 8.142 -11.851 20.927 1.00 25.00 H new ATOM 0 HG21 THR B 60 6.202 -10.976 22.010 1.00 25.00 H new ATOM 0 HG22 THR B 60 6.453 -10.299 23.637 1.00 25.00 H new ATOM 0 HG23 THR B 60 7.149 -9.483 22.217 1.00 25.00 H new TER 787 THR B 60