USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: B 46 23F H2 : B 46 23F N : B 45 PHE C :(H bumps) USER MOD NoAdj-H: B 46 23F H : B 46 23F N : B 45 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.00502 USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -0.0307 F(o=-0.74,f=-0.026) USER MOD Set 2.1: A 5 GLN : amide:sc= -4.14! C(o=-4.1!,f=-5.6!) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 174:sc= -0.518 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.092) USER MOD Single : A 21 ASN : amide:sc= -1.59! C(o=-1.6!,f=-6.5!) USER MOD Single : B 24 ASN :FLIP amide:sc= -0.0785 F(o=-0.59,f=-0.078) USER MOD Single : B 25 GLN :FLIP amide:sc=-4.34e-05 F(o=-1.4!,f=-4.3e-05) USER MOD Single : B 26 HIS : no HE2:sc= 0.822 K(o=0.82,f=-3.7!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 30:sc= -0.208 USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -157:sc= -0.228 (180deg=-1.21) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.918 20.741 -13.989 1.00 0.00 N ATOM 2 CA GLY A 1 0.824 20.012 -12.646 1.00 0.00 C ATOM 3 C GLY A 1 1.843 18.986 -12.290 1.00 0.00 C ATOM 4 O GLY A 1 2.578 18.509 -13.132 1.00 0.00 O ATOM 0 H1 GLY A 1 0.133 21.418 -14.072 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.822 21.252 -14.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.863 20.050 -14.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.838 20.770 -11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.152 19.529 -12.605 1.00 0.00 H new ATOM 10 N ILE A 2 1.917 18.619 -11.041 1.00 0.00 N ATOM 11 CA ILE A 2 2.916 17.598 -10.619 1.00 0.00 C ATOM 12 C ILE A 2 2.667 16.290 -11.381 1.00 0.00 C ATOM 13 O ILE A 2 3.575 15.535 -11.647 1.00 0.00 O ATOM 14 CB ILE A 2 2.794 17.366 -9.101 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.740 16.227 -8.662 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.339 17.027 -8.734 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.644 16.011 -7.157 1.00 0.00 C ATOM 0 H ILE A 2 1.327 18.983 -10.293 1.00 0.00 H new ATOM 0 HA ILE A 2 3.923 17.949 -10.846 1.00 0.00 H new ATOM 0 HB ILE A 2 3.081 18.278 -8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.480 15.307 -9.186 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.766 16.471 -8.937 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.263 16.865 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.689 17.853 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.032 16.123 -9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.316 15.205 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.927 16.928 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.621 15.745 -6.892 1.00 0.00 H new ATOM 29 N VAL A 3 1.446 16.011 -11.724 1.00 0.00 N ATOM 30 CA VAL A 3 1.144 14.747 -12.449 1.00 0.00 C ATOM 31 C VAL A 3 1.913 14.682 -13.776 1.00 0.00 C ATOM 32 O VAL A 3 2.544 13.696 -14.084 1.00 0.00 O ATOM 33 CB VAL A 3 -0.361 14.687 -12.707 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.704 13.424 -13.492 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.095 14.662 -11.364 1.00 0.00 C ATOM 0 H VAL A 3 0.639 16.605 -11.534 1.00 0.00 H new ATOM 0 HA VAL A 3 1.456 13.896 -11.844 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.665 15.560 -13.284 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.778 13.388 -13.672 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.176 13.434 -14.446 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.403 12.547 -12.920 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.170 14.619 -11.538 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.784 13.785 -10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.854 15.564 -10.801 1.00 0.00 H new ATOM 45 N GLU A 4 1.857 15.708 -14.571 1.00 0.00 N ATOM 46 CA GLU A 4 2.576 15.673 -15.881 1.00 0.00 C ATOM 47 C GLU A 4 4.046 15.283 -15.692 1.00 0.00 C ATOM 48 O GLU A 4 4.509 14.295 -16.219 1.00 0.00 O ATOM 49 CB GLU A 4 2.515 17.063 -16.526 1.00 0.00 C ATOM 50 CG GLU A 4 3.449 17.127 -17.751 1.00 0.00 C ATOM 51 CD GLU A 4 2.970 18.214 -18.719 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.309 19.365 -18.500 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.273 17.875 -19.661 1.00 0.00 O ATOM 0 H GLU A 4 1.347 16.570 -14.376 1.00 0.00 H new ATOM 0 HA GLU A 4 2.094 14.931 -16.517 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.492 17.286 -16.828 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.805 17.822 -15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.469 17.338 -17.430 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.467 16.161 -18.256 1.00 0.00 H new ATOM 60 N GLN A 5 4.793 16.074 -14.985 1.00 0.00 N ATOM 61 CA GLN A 5 6.240 15.768 -14.823 1.00 0.00 C ATOM 62 C GLN A 5 6.464 14.410 -14.140 1.00 0.00 C ATOM 63 O GLN A 5 7.376 13.688 -14.481 1.00 0.00 O ATOM 64 CB GLN A 5 6.904 16.865 -13.985 1.00 0.00 C ATOM 65 CG GLN A 5 6.803 18.213 -14.710 1.00 0.00 C ATOM 66 CD GLN A 5 5.409 18.807 -14.506 0.50 0.00 C ATOM 67 OE1 GLN A 5 4.733 19.147 -15.456 0.50 0.00 O ATOM 68 NE2 GLN A 5 4.953 18.947 -13.295 0.50 0.00 N ATOM 0 H GLN A 5 4.469 16.918 -14.512 1.00 0.00 H new ATOM 0 HA GLN A 5 6.683 15.725 -15.818 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.422 16.931 -13.009 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.950 16.616 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.560 18.899 -14.329 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.000 18.080 -15.774 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.523 18.661 -12.499 0.50 0.00 H new ATOM 0 HE22 GLN A 5 4.026 19.343 -13.142 0.50 0.00 H new ATOM 77 N CYS A 6 5.677 14.080 -13.154 1.00 0.00 N ATOM 78 CA CYS A 6 5.879 12.788 -12.415 1.00 0.00 C ATOM 79 C CYS A 6 5.158 11.614 -13.093 1.00 0.00 C ATOM 80 O CYS A 6 5.705 10.538 -13.229 1.00 0.00 O ATOM 81 CB CYS A 6 5.342 12.976 -10.998 1.00 0.00 C ATOM 82 SG CYS A 6 5.763 14.642 -10.455 1.00 0.00 S ATOM 0 H CYS A 6 4.897 14.648 -12.822 1.00 0.00 H new ATOM 0 HA CYS A 6 6.942 12.545 -12.409 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.262 12.831 -10.978 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.775 12.236 -10.326 1.00 0.00 H new ATOM 87 N CYS A 7 3.925 11.788 -13.476 1.00 0.00 N ATOM 88 CA CYS A 7 3.177 10.656 -14.102 1.00 0.00 C ATOM 89 C CYS A 7 3.503 10.545 -15.597 1.00 0.00 C ATOM 90 O CYS A 7 3.878 9.493 -16.075 1.00 0.00 O ATOM 91 CB CYS A 7 1.678 10.883 -13.908 1.00 0.00 C ATOM 92 SG CYS A 7 0.767 9.413 -14.444 1.00 0.00 S ATOM 0 H CYS A 7 3.402 12.659 -13.385 1.00 0.00 H new ATOM 0 HA CYS A 7 3.476 9.724 -13.623 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.464 11.094 -12.860 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.355 11.752 -14.480 1.00 0.00 H new ATOM 97 N THR A 8 3.369 11.608 -16.344 1.00 0.00 N ATOM 98 CA THR A 8 3.682 11.524 -17.803 1.00 0.00 C ATOM 99 C THR A 8 5.194 11.370 -17.976 1.00 0.00 C ATOM 100 O THR A 8 5.669 10.748 -18.905 1.00 0.00 O ATOM 101 CB THR A 8 3.200 12.798 -18.508 1.00 0.00 C ATOM 102 OG1 THR A 8 1.920 13.154 -18.009 1.00 0.00 O ATOM 103 CG2 THR A 8 3.106 12.551 -20.010 1.00 0.00 C ATOM 0 H THR A 8 3.060 12.522 -16.013 1.00 0.00 H new ATOM 0 HA THR A 8 3.175 10.666 -18.243 1.00 0.00 H new ATOM 0 HB THR A 8 3.907 13.606 -18.319 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.651 14.018 -18.384 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.763 13.458 -20.507 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.087 12.275 -20.395 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.400 11.743 -20.202 1.00 0.00 H new ATOM 111 N SER A 9 5.948 11.927 -17.067 1.00 0.00 N ATOM 112 CA SER A 9 7.438 11.826 -17.123 1.00 0.00 C ATOM 113 C SER A 9 7.928 11.450 -15.729 1.00 0.00 C ATOM 114 O SER A 9 7.155 11.394 -14.800 1.00 0.00 O ATOM 115 CB SER A 9 8.027 13.177 -17.521 1.00 0.00 C ATOM 116 OG SER A 9 7.666 13.472 -18.864 1.00 0.00 O ATOM 0 H SER A 9 5.589 12.458 -16.273 1.00 0.00 H new ATOM 0 HA SER A 9 7.745 11.079 -17.855 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.659 13.957 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.112 13.157 -17.420 1.00 0.00 H new ATOM 0 HG SER A 9 8.042 14.340 -19.121 1.00 0.00 H new ATOM 122 N ILE A 10 9.194 11.192 -15.556 1.00 0.00 N ATOM 123 CA ILE A 10 9.684 10.827 -14.192 1.00 0.00 C ATOM 124 C ILE A 10 10.040 12.105 -13.430 1.00 0.00 C ATOM 125 O ILE A 10 10.756 12.957 -13.918 1.00 0.00 O ATOM 126 CB ILE A 10 10.910 9.910 -14.294 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.550 8.693 -15.175 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.314 9.443 -12.884 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.528 7.535 -14.932 1.00 0.00 C ATOM 0 H ILE A 10 9.905 11.217 -16.287 1.00 0.00 H new ATOM 0 HA ILE A 10 8.901 10.291 -13.657 1.00 0.00 H new ATOM 0 HB ILE A 10 11.746 10.446 -14.742 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.533 8.368 -14.956 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.573 8.980 -16.226 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.185 8.791 -12.952 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.557 10.310 -12.269 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.487 8.897 -12.431 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.255 6.689 -15.563 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.541 7.857 -15.175 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.484 7.235 -13.885 1.00 0.00 H new ATOM 141 N CYS A 11 9.536 12.241 -12.232 1.00 0.00 N ATOM 142 CA CYS A 11 9.824 13.457 -11.416 1.00 0.00 C ATOM 143 C CYS A 11 11.027 13.202 -10.514 1.00 0.00 C ATOM 144 O CYS A 11 11.677 12.177 -10.576 1.00 0.00 O ATOM 145 CB CYS A 11 8.606 13.773 -10.529 1.00 0.00 C ATOM 146 SG CYS A 11 7.540 14.980 -11.339 1.00 0.00 S ATOM 0 H CYS A 11 8.931 11.555 -11.780 1.00 0.00 H new ATOM 0 HA CYS A 11 10.034 14.292 -12.084 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.046 12.859 -10.329 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.939 14.160 -9.566 1.00 0.00 H new ATOM 151 N SER A 12 11.292 14.138 -9.652 1.00 0.00 N ATOM 152 CA SER A 12 12.409 14.010 -8.688 1.00 0.00 C ATOM 153 C SER A 12 11.906 14.508 -7.333 1.00 0.00 C ATOM 154 O SER A 12 10.990 15.297 -7.246 1.00 0.00 O ATOM 155 CB SER A 12 13.607 14.854 -9.169 1.00 0.00 C ATOM 156 OG SER A 12 13.388 15.243 -10.518 1.00 0.00 O ATOM 0 H SER A 12 10.766 15.008 -9.575 1.00 0.00 H new ATOM 0 HA SER A 12 12.740 12.975 -8.606 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.724 15.735 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.529 14.279 -9.088 1.00 0.00 H new ATOM 0 HG SER A 12 14.145 15.782 -10.830 1.00 0.00 H new ATOM 162 N LEU A 13 12.505 14.054 -6.287 1.00 0.00 N ATOM 163 CA LEU A 13 12.100 14.486 -4.924 1.00 0.00 C ATOM 164 C LEU A 13 11.890 15.993 -4.914 1.00 0.00 C ATOM 165 O LEU A 13 10.825 16.497 -4.635 1.00 0.00 O ATOM 166 CB LEU A 13 13.252 14.142 -3.983 1.00 0.00 C ATOM 167 CG LEU A 13 13.063 14.812 -2.622 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.645 14.551 -2.117 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.062 14.224 -1.637 1.00 0.00 C ATOM 0 H LEU A 13 13.276 13.387 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 13 11.177 13.993 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.312 13.061 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.195 14.464 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 13 13.222 15.886 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.511 15.029 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.925 14.960 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.486 13.477 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.934 14.697 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.893 13.151 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.075 14.402 -1.996 1.00 0.00 H new ATOM 181 N TYR A 14 12.928 16.692 -5.219 1.00 0.00 N ATOM 182 CA TYR A 14 12.883 18.181 -5.250 1.00 0.00 C ATOM 183 C TYR A 14 11.637 18.620 -6.001 1.00 0.00 C ATOM 184 O TYR A 14 10.902 19.483 -5.564 1.00 0.00 O ATOM 185 CB TYR A 14 14.139 18.688 -5.951 1.00 0.00 C ATOM 186 CG TYR A 14 15.288 17.786 -5.570 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.798 17.801 -4.266 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.829 16.929 -6.519 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.858 16.953 -3.922 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.883 16.081 -6.183 1.00 0.00 C ATOM 191 CZ TYR A 14 17.402 16.091 -4.882 1.00 0.00 C ATOM 192 OH TYR A 14 18.446 15.253 -4.548 1.00 0.00 O ATOM 0 H TYR A 14 13.836 16.292 -5.456 1.00 0.00 H new ATOM 0 HA TYR A 14 12.846 18.590 -4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.998 18.688 -7.032 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.349 19.716 -5.657 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.375 18.465 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.431 16.919 -7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.255 16.964 -2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.299 15.416 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 14 18.702 14.722 -5.331 1.00 0.00 H new ATOM 202 N GLN A 15 11.377 18.004 -7.112 1.00 0.00 N ATOM 203 CA GLN A 15 10.153 18.363 -7.866 1.00 0.00 C ATOM 204 C GLN A 15 8.962 17.980 -7.003 1.00 0.00 C ATOM 205 O GLN A 15 7.949 18.639 -7.008 1.00 0.00 O ATOM 206 CB GLN A 15 10.108 17.612 -9.199 1.00 0.00 C ATOM 207 CG GLN A 15 11.138 18.205 -10.161 1.00 0.00 C ATOM 208 CD GLN A 15 10.887 17.661 -11.555 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.690 17.741 -12.042 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 11.784 17.160 -12.204 1.00 0.00 N flip ATOM 0 H GLN A 15 11.953 17.273 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 15 10.139 19.430 -8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.314 16.554 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.110 17.680 -9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.067 19.293 -10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.147 17.952 -9.835 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.724 17.101 -11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.597 16.799 -13.139 1.00 0.00 H new ATOM 219 N LEU A 16 9.085 16.938 -6.225 1.00 0.00 N ATOM 220 CA LEU A 16 7.944 16.558 -5.343 1.00 0.00 C ATOM 221 C LEU A 16 7.873 17.561 -4.201 1.00 0.00 C ATOM 222 O LEU A 16 6.813 17.901 -3.713 1.00 0.00 O ATOM 223 CB LEU A 16 8.144 15.139 -4.766 1.00 0.00 C ATOM 224 CG LEU A 16 7.245 14.127 -5.481 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.696 13.982 -6.926 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.336 12.773 -4.772 1.00 0.00 C ATOM 0 H LEU A 16 9.911 16.343 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 16 7.021 16.563 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.188 14.843 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.920 15.141 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 16 6.213 14.476 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.057 13.262 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.627 14.947 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.728 13.633 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.696 12.052 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.367 12.420 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.010 12.881 -3.738 1.00 0.00 H new ATOM 238 N GLU A 17 9.002 18.015 -3.763 1.00 0.00 N ATOM 239 CA GLU A 17 9.030 18.970 -2.646 1.00 0.00 C ATOM 240 C GLU A 17 8.361 20.273 -3.047 1.00 0.00 C ATOM 241 O GLU A 17 7.688 20.921 -2.269 1.00 0.00 O ATOM 242 CB GLU A 17 10.474 19.269 -2.292 1.00 0.00 C ATOM 243 CG GLU A 17 11.198 17.995 -1.817 1.00 0.00 C ATOM 244 CD GLU A 17 12.332 18.363 -0.855 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.722 19.519 -0.844 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.791 17.482 -0.146 1.00 0.00 O ATOM 0 H GLU A 17 9.916 17.760 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 17 8.501 18.535 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.988 19.682 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.511 20.027 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.492 17.329 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.599 17.454 -2.674 1.00 0.00 H new ATOM 253 N ASN A 18 8.571 20.659 -4.256 1.00 0.00 N ATOM 254 CA ASN A 18 7.993 21.931 -4.764 1.00 0.00 C ATOM 255 C ASN A 18 6.505 22.003 -4.429 1.00 0.00 C ATOM 256 O ASN A 18 5.955 23.055 -4.171 1.00 0.00 O ATOM 257 CB ASN A 18 8.164 21.946 -6.296 1.00 0.00 C ATOM 258 CG ASN A 18 9.374 22.798 -6.700 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.449 23.964 -6.369 1.00 0.00 O ATOM 260 ND2 ASN A 18 10.329 22.256 -7.405 1.00 0.00 N ATOM 0 H ASN A 18 9.129 20.142 -4.936 1.00 0.00 H new ATOM 0 HA ASN A 18 8.498 22.780 -4.304 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.292 20.927 -6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.262 22.342 -6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.139 22.812 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.265 21.277 -7.683 1.00 0.00 H new ATOM 267 N TYR A 19 5.854 20.894 -4.499 1.00 0.00 N ATOM 268 CA TYR A 19 4.386 20.853 -4.264 1.00 0.00 C ATOM 269 C TYR A 19 4.028 20.661 -2.789 1.00 0.00 C ATOM 270 O TYR A 19 2.870 20.556 -2.456 1.00 0.00 O ATOM 271 CB TYR A 19 3.830 19.698 -5.081 1.00 0.00 C ATOM 272 CG TYR A 19 4.386 19.795 -6.484 1.00 0.00 C ATOM 273 CD1 TYR A 19 4.084 20.901 -7.275 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.211 18.790 -6.984 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.605 21.007 -8.570 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.737 18.889 -8.280 1.00 0.00 C ATOM 277 CZ TYR A 19 5.435 20.001 -9.072 1.00 0.00 C ATOM 278 OH TYR A 19 5.951 20.102 -10.348 1.00 0.00 O ATOM 0 H TYR A 19 6.278 19.991 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 19 3.955 21.808 -4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.106 18.746 -4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.741 19.737 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.445 21.681 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.446 17.932 -6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.366 21.865 -9.180 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.375 18.107 -8.666 1.00 0.00 H new ATOM 0 HH TYR A 19 6.508 19.318 -10.539 1.00 0.00 H new ATOM 288 N CYS A 20 4.967 20.608 -1.891 1.00 0.00 N ATOM 289 CA CYS A 20 4.562 20.429 -0.470 1.00 0.00 C ATOM 290 C CYS A 20 3.995 21.731 0.081 1.00 0.00 C ATOM 291 O CYS A 20 4.616 22.409 0.875 1.00 0.00 O ATOM 292 CB CYS A 20 5.742 20.032 0.374 1.00 0.00 C ATOM 293 SG CYS A 20 6.485 18.539 -0.301 1.00 0.00 S ATOM 0 H CYS A 20 5.969 20.678 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 20 3.807 19.644 -0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.475 20.838 0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.426 19.861 1.403 1.00 0.00 H new ATOM 298 N ASN A 21 2.815 22.070 -0.324 1.00 0.00 N ATOM 299 CA ASN A 21 2.174 23.317 0.176 1.00 0.00 C ATOM 300 C ASN A 21 3.170 24.481 0.112 1.00 0.00 C ATOM 301 O ASN A 21 3.174 25.180 -0.887 1.00 0.00 O ATOM 302 CB ASN A 21 1.736 23.103 1.625 1.00 0.00 C ATOM 303 CG ASN A 21 1.039 24.362 2.144 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.387 25.464 1.766 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.062 24.246 3.001 1.00 0.00 N ATOM 306 OXT ASN A 21 3.909 24.655 1.067 1.00 0.00 O ATOM 0 H ASN A 21 2.255 21.535 -0.988 1.00 0.00 H new ATOM 0 HA ASN A 21 1.310 23.555 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.061 22.249 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.601 22.872 2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.409 25.079 3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.231 23.322 3.319 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.154 9.246 -3.546 1.00 0.00 N ATOM 315 CA PHE B 22 14.705 9.029 -3.816 1.00 0.00 C ATOM 316 C PHE B 22 14.551 7.925 -4.869 1.00 0.00 C ATOM 317 O PHE B 22 15.166 6.881 -4.775 1.00 0.00 O ATOM 318 CB PHE B 22 14.084 10.345 -4.319 1.00 0.00 C ATOM 319 CG PHE B 22 12.596 10.369 -4.022 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.153 10.456 -2.697 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.662 10.302 -5.067 1.00 0.00 C ATOM 322 CE1 PHE B 22 10.782 10.473 -2.415 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.289 10.321 -4.783 1.00 0.00 C ATOM 324 CZ PHE B 22 9.849 10.406 -3.456 1.00 0.00 C ATOM 0 HA PHE B 22 14.192 8.722 -2.905 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.572 11.193 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.250 10.448 -5.391 1.00 0.00 H new ATOM 0 HD1 PHE B 22 12.870 10.510 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.001 10.236 -6.090 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.443 10.538 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.571 10.270 -5.588 1.00 0.00 H new ATOM 0 HZ PHE B 22 8.792 10.420 -3.236 1.00 0.00 H new ATOM 336 N VAL B 23 13.734 8.137 -5.866 1.00 0.00 N ATOM 337 CA VAL B 23 13.543 7.091 -6.913 1.00 0.00 C ATOM 338 C VAL B 23 13.225 7.749 -8.258 1.00 0.00 C ATOM 339 O VAL B 23 12.892 8.915 -8.332 1.00 0.00 O ATOM 340 CB VAL B 23 12.386 6.186 -6.502 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.178 7.054 -6.183 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.041 5.220 -7.642 1.00 0.00 C ATOM 0 H VAL B 23 13.190 8.989 -6.001 1.00 0.00 H new ATOM 0 HA VAL B 23 14.457 6.505 -7.014 1.00 0.00 H new ATOM 0 HB VAL B 23 12.670 5.603 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.342 6.420 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.424 7.734 -5.367 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.901 7.631 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.214 4.579 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.753 5.789 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.911 4.605 -7.874 1.00 0.00 H new ATOM 352 N ASN B 24 13.318 6.990 -9.319 1.00 0.00 N ATOM 353 CA ASN B 24 13.019 7.518 -10.685 1.00 0.00 C ATOM 354 C ASN B 24 11.895 6.673 -11.289 1.00 0.00 C ATOM 355 O ASN B 24 12.114 5.883 -12.185 1.00 0.00 O ATOM 356 CB ASN B 24 14.277 7.395 -11.552 1.00 0.00 C ATOM 357 CG ASN B 24 15.234 8.547 -11.237 1.00 0.00 C ATOM 358 OD1 ASN B 24 14.775 9.768 -11.195 1.00 0.00 O flip ATOM 359 ND2 ASN B 24 16.412 8.334 -11.027 1.00 0.00 N flip ATOM 0 H ASN B 24 13.594 6.008 -9.296 1.00 0.00 H new ATOM 0 HA ASN B 24 12.715 8.564 -10.636 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.768 6.440 -11.365 1.00 0.00 H new ATOM 0 HB3 ASN B 24 14.006 7.412 -12.608 1.00 0.00 H new ATOM 0 HD21 ASN B 24 16.771 7.380 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN B 24 17.041 9.109 -10.818 1.00 0.00 H new ATOM 366 N GLN B 25 10.695 6.820 -10.779 1.00 0.00 N ATOM 367 CA GLN B 25 9.537 6.017 -11.285 1.00 0.00 C ATOM 368 C GLN B 25 8.454 6.945 -11.844 1.00 0.00 C ATOM 369 O GLN B 25 8.476 8.144 -11.649 1.00 0.00 O ATOM 370 CB GLN B 25 8.953 5.218 -10.102 1.00 0.00 C ATOM 371 CG GLN B 25 9.654 3.860 -9.983 1.00 0.00 C ATOM 372 CD GLN B 25 9.167 3.142 -8.723 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.352 3.757 -7.910 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 9.533 2.011 -8.474 1.00 0.00 N flip ATOM 0 H GLN B 25 10.467 7.469 -10.026 1.00 0.00 H new ATOM 0 HA GLN B 25 9.872 5.348 -12.078 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.076 5.781 -9.177 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.882 5.072 -10.246 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.445 3.253 -10.864 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.734 3.999 -9.940 1.00 0.00 H new ATOM 0 HE21 GLN B 25 10.170 1.530 -9.109 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.203 1.542 -7.630 1.00 0.00 H new ATOM 383 N HIS B 26 7.488 6.375 -12.514 1.00 0.00 N ATOM 384 CA HIS B 26 6.364 7.179 -13.071 1.00 0.00 C ATOM 385 C HIS B 26 5.265 7.212 -12.011 1.00 0.00 C ATOM 386 O HIS B 26 4.437 6.326 -11.931 1.00 0.00 O ATOM 387 CB HIS B 26 5.839 6.510 -14.352 1.00 0.00 C ATOM 388 CG HIS B 26 6.647 6.964 -15.538 1.00 0.00 C ATOM 389 ND1 HIS B 26 6.208 7.969 -16.389 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.866 6.562 -16.029 1.00 0.00 C ATOM 391 CE1 HIS B 26 7.146 8.138 -17.338 1.00 0.00 C ATOM 392 NE2 HIS B 26 8.173 7.306 -17.162 1.00 0.00 N ATOM 0 H HIS B 26 7.430 5.374 -12.701 1.00 0.00 H new ATOM 0 HA HIS B 26 6.689 8.189 -13.320 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.897 5.426 -14.256 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.789 6.762 -14.499 1.00 0.00 H new ATOM 0 HD1 HIS B 26 5.332 8.486 -16.309 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.488 5.789 -15.602 1.00 0.00 H new ATOM 0 HE1 HIS B 26 7.076 8.857 -18.141 1.00 0.00 H new ATOM 400 N LEU B 27 5.273 8.209 -11.176 1.00 0.00 N ATOM 401 CA LEU B 27 4.255 8.286 -10.093 1.00 0.00 C ATOM 402 C LEU B 27 2.963 8.908 -10.614 1.00 0.00 C ATOM 403 O LEU B 27 2.984 9.848 -11.378 1.00 0.00 O ATOM 404 CB LEU B 27 4.783 9.151 -8.950 1.00 0.00 C ATOM 405 CG LEU B 27 6.232 8.783 -8.595 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.831 9.882 -7.716 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.251 7.462 -7.825 1.00 0.00 C ATOM 0 H LEU B 27 5.943 8.978 -11.196 1.00 0.00 H new ATOM 0 HA LEU B 27 4.054 7.274 -9.741 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.731 10.202 -9.233 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.148 9.025 -8.073 1.00 0.00 H new ATOM 0 HG LEU B 27 6.814 8.681 -9.511 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.859 9.625 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.817 10.828 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.244 9.977 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.279 7.202 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.669 7.566 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.818 6.675 -8.442 1.00 0.00 H new ATOM 419 N CYS B 28 1.830 8.407 -10.185 1.00 0.00 N ATOM 420 CA CYS B 28 0.535 8.988 -10.647 1.00 0.00 C ATOM 421 C CYS B 28 -0.474 8.989 -9.501 1.00 0.00 C ATOM 422 O CYS B 28 -0.779 7.967 -8.920 1.00 0.00 O ATOM 423 CB CYS B 28 -0.012 8.155 -11.807 1.00 0.00 C ATOM 424 SG CYS B 28 1.258 8.000 -13.087 1.00 0.00 S ATOM 0 H CYS B 28 1.748 7.623 -9.537 1.00 0.00 H new ATOM 0 HA CYS B 28 0.701 10.013 -10.978 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.309 7.168 -11.452 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.904 8.627 -12.219 1.00 0.00 H new ATOM 429 N GLY B 29 -1.006 10.142 -9.198 1.00 0.00 N ATOM 430 CA GLY B 29 -2.020 10.265 -8.114 1.00 0.00 C ATOM 431 C GLY B 29 -1.687 9.360 -6.925 1.00 0.00 C ATOM 432 O GLY B 29 -0.791 9.631 -6.161 1.00 0.00 O ATOM 0 H GLY B 29 -0.776 11.019 -9.665 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.072 11.301 -7.780 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -3.004 10.006 -8.505 1.00 0.00 H new ATOM 436 N SER B 30 -2.430 8.300 -6.752 1.00 0.00 N ATOM 437 CA SER B 30 -2.196 7.380 -5.595 1.00 0.00 C ATOM 438 C SER B 30 -0.699 7.202 -5.314 1.00 0.00 C ATOM 439 O SER B 30 -0.227 7.497 -4.234 1.00 0.00 O ATOM 440 CB SER B 30 -2.818 6.017 -5.900 1.00 0.00 C ATOM 441 OG SER B 30 -2.343 5.063 -4.959 1.00 0.00 O ATOM 0 H SER B 30 -3.197 8.028 -7.367 1.00 0.00 H new ATOM 0 HA SER B 30 -2.658 7.820 -4.711 1.00 0.00 H new ATOM 0 HB2 SER B 30 -3.905 6.082 -5.853 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.561 5.705 -6.912 1.00 0.00 H new ATOM 0 HG SER B 30 -2.741 4.188 -5.151 1.00 0.00 H new ATOM 447 N ASP B 31 0.049 6.718 -6.262 1.00 0.00 N ATOM 448 CA ASP B 31 1.506 6.521 -6.024 1.00 0.00 C ATOM 449 C ASP B 31 2.182 7.879 -5.813 1.00 0.00 C ATOM 450 O ASP B 31 3.013 8.041 -4.945 1.00 0.00 O ATOM 451 CB ASP B 31 2.125 5.820 -7.237 1.00 0.00 C ATOM 452 CG ASP B 31 1.176 4.727 -7.732 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.169 5.071 -8.330 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.471 3.565 -7.506 1.00 0.00 O ATOM 0 H ASP B 31 -0.282 6.451 -7.189 1.00 0.00 H new ATOM 0 HA ASP B 31 1.651 5.908 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.312 6.542 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.088 5.386 -6.968 1.00 0.00 H new ATOM 459 N LEU B 32 1.826 8.847 -6.608 1.00 0.00 N ATOM 460 CA LEU B 32 2.433 10.205 -6.487 1.00 0.00 C ATOM 461 C LEU B 32 1.991 10.849 -5.188 1.00 0.00 C ATOM 462 O LEU B 32 2.791 11.119 -4.322 1.00 0.00 O ATOM 463 CB LEU B 32 1.960 11.022 -7.687 1.00 0.00 C ATOM 464 CG LEU B 32 2.297 12.509 -7.535 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.816 12.695 -7.293 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.845 13.227 -8.826 1.00 0.00 C ATOM 0 H LEU B 32 1.130 8.756 -7.348 1.00 0.00 H new ATOM 0 HA LEU B 32 3.522 10.151 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.424 10.636 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.883 10.904 -7.804 1.00 0.00 H new ATOM 0 HG LEU B 32 1.780 12.935 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU B 32 4.040 13.756 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.106 12.170 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.371 12.290 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.072 14.290 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.372 12.804 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.772 13.094 -8.960 1.00 0.00 H new ATOM 478 N VAL B 33 0.725 11.085 -5.044 1.00 0.00 N ATOM 479 CA VAL B 33 0.202 11.688 -3.790 1.00 0.00 C ATOM 480 C VAL B 33 0.930 11.061 -2.607 1.00 0.00 C ATOM 481 O VAL B 33 1.560 11.728 -1.812 1.00 0.00 O ATOM 482 CB VAL B 33 -1.286 11.358 -3.678 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.782 11.646 -2.251 1.00 0.00 C ATOM 484 CG2 VAL B 33 -2.059 12.193 -4.696 1.00 0.00 C ATOM 0 H VAL B 33 0.017 10.884 -5.750 1.00 0.00 H new ATOM 0 HA VAL B 33 0.353 12.768 -3.796 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.447 10.300 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.843 11.408 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.225 11.034 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.630 12.700 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.122 11.964 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.902 13.252 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.706 11.960 -5.701 1.00 0.00 H new ATOM 494 N GLU B 34 0.862 9.769 -2.515 1.00 0.00 N ATOM 495 CA GLU B 34 1.569 9.075 -1.410 1.00 0.00 C ATOM 496 C GLU B 34 3.032 9.510 -1.462 1.00 0.00 C ATOM 497 O GLU B 34 3.653 9.778 -0.452 1.00 0.00 O ATOM 498 CB GLU B 34 1.463 7.559 -1.591 1.00 0.00 C ATOM 499 CG GLU B 34 0.091 7.086 -1.110 1.00 0.00 C ATOM 500 CD GLU B 34 0.026 7.173 0.416 1.00 0.00 C ATOM 501 OE1 GLU B 34 0.529 6.269 1.064 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.525 8.142 0.912 1.00 0.00 O ATOM 0 H GLU B 34 0.349 9.163 -3.155 1.00 0.00 H new ATOM 0 HA GLU B 34 1.126 9.331 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.604 7.296 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.251 7.058 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.693 7.700 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.086 6.060 -1.434 1.00 0.00 H new ATOM 509 N ALA B 35 3.572 9.621 -2.648 1.00 0.00 N ATOM 510 CA ALA B 35 4.977 10.085 -2.783 1.00 0.00 C ATOM 511 C ALA B 35 5.066 11.466 -2.149 1.00 0.00 C ATOM 512 O ALA B 35 6.043 11.805 -1.529 1.00 0.00 O ATOM 513 CB ALA B 35 5.381 10.158 -4.270 1.00 0.00 C ATOM 0 H ALA B 35 3.098 9.410 -3.526 1.00 0.00 H new ATOM 0 HA ALA B 35 5.655 9.389 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.413 10.500 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.290 9.170 -4.721 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.726 10.856 -4.791 1.00 0.00 H new ATOM 519 N LEU B 36 4.048 12.273 -2.275 1.00 0.00 N ATOM 520 CA LEU B 36 4.123 13.609 -1.646 1.00 0.00 C ATOM 521 C LEU B 36 3.935 13.453 -0.141 1.00 0.00 C ATOM 522 O LEU B 36 4.788 13.823 0.638 1.00 0.00 O ATOM 523 CB LEU B 36 3.047 14.504 -2.215 1.00 0.00 C ATOM 524 CG LEU B 36 3.413 14.889 -3.660 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.154 15.420 -4.368 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.554 15.950 -3.664 1.00 0.00 C ATOM 0 H LEU B 36 3.185 12.065 -2.778 1.00 0.00 H new ATOM 0 HA LEU B 36 5.094 14.062 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.085 13.992 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.943 15.400 -1.603 1.00 0.00 H new ATOM 0 HG LEU B 36 3.778 14.014 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.402 15.696 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.387 14.645 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.780 16.295 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.803 16.213 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.224 16.842 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.435 15.539 -3.171 1.00 0.00 H new ATOM 538 N TYR B 37 2.834 12.880 0.276 1.00 0.00 N ATOM 539 CA TYR B 37 2.605 12.668 1.734 1.00 0.00 C ATOM 540 C TYR B 37 3.882 12.091 2.342 1.00 0.00 C ATOM 541 O TYR B 37 4.214 12.327 3.484 1.00 0.00 O ATOM 542 CB TYR B 37 1.460 11.680 1.925 1.00 0.00 C ATOM 543 CG TYR B 37 1.236 11.494 3.398 1.00 0.00 C ATOM 544 CD1 TYR B 37 2.030 10.596 4.116 1.00 0.00 C ATOM 545 CD2 TYR B 37 0.244 12.229 4.045 1.00 0.00 C ATOM 546 CE1 TYR B 37 1.829 10.431 5.490 1.00 0.00 C ATOM 547 CE2 TYR B 37 0.041 12.069 5.418 1.00 0.00 C ATOM 548 CZ TYR B 37 0.832 11.168 6.143 1.00 0.00 C ATOM 549 OH TYR B 37 0.632 11.009 7.499 1.00 0.00 O ATOM 0 H TYR B 37 2.085 12.550 -0.332 1.00 0.00 H new ATOM 0 HA TYR B 37 2.351 13.611 2.219 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.554 12.053 1.448 1.00 0.00 H new ATOM 0 HB3 TYR B 37 1.699 10.726 1.454 1.00 0.00 H new ATOM 0 HD1 TYR B 37 2.798 10.030 3.610 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.367 12.922 3.485 1.00 0.00 H new ATOM 0 HE1 TYR B 37 2.441 9.737 6.047 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.726 12.640 5.921 1.00 0.00 H new ATOM 0 HH TYR B 37 -0.096 11.595 7.793 1.00 0.00 H new ATOM 559 N LEU B 38 4.606 11.356 1.555 1.00 0.00 N ATOM 560 CA LEU B 38 5.879 10.768 2.018 1.00 0.00 C ATOM 561 C LEU B 38 6.929 11.878 2.045 1.00 0.00 C ATOM 562 O LEU B 38 7.657 12.050 3.002 1.00 0.00 O ATOM 563 CB LEU B 38 6.274 9.683 1.009 1.00 0.00 C ATOM 564 CG LEU B 38 7.588 8.991 1.427 1.00 0.00 C ATOM 565 CD1 LEU B 38 7.608 7.555 0.884 1.00 0.00 C ATOM 566 CD2 LEU B 38 8.811 9.752 0.873 1.00 0.00 C ATOM 0 H LEU B 38 4.361 11.135 0.590 1.00 0.00 H new ATOM 0 HA LEU B 38 5.793 10.333 3.014 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.477 8.943 0.935 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.391 10.126 0.020 1.00 0.00 H new ATOM 0 HG LEU B 38 7.639 8.984 2.516 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.537 7.067 1.180 1.00 0.00 H new ATOM 0 HD12 LEU B 38 6.762 7.001 1.290 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.540 7.576 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.725 9.245 1.181 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.760 9.779 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.812 10.770 1.262 1.00 0.00 H new ATOM 578 N VAL B 39 6.995 12.633 0.986 1.00 0.00 N ATOM 579 CA VAL B 39 7.975 13.753 0.894 1.00 0.00 C ATOM 580 C VAL B 39 7.509 14.925 1.769 1.00 0.00 C ATOM 581 O VAL B 39 8.195 15.362 2.672 1.00 0.00 O ATOM 582 CB VAL B 39 8.041 14.206 -0.577 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.712 15.571 -0.702 1.00 0.00 C ATOM 584 CG2 VAL B 39 8.820 13.181 -1.400 1.00 0.00 C ATOM 0 H VAL B 39 6.401 12.520 0.165 1.00 0.00 H new ATOM 0 HA VAL B 39 8.956 13.426 1.239 1.00 0.00 H new ATOM 0 HB VAL B 39 7.021 14.285 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.745 15.866 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.144 16.309 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.727 15.515 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL B 39 8.864 13.506 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL B 39 9.832 13.091 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.321 12.214 -1.343 1.00 0.00 H new ATOM 594 N CYS B 40 6.361 15.454 1.465 1.00 0.00 N ATOM 595 CA CYS B 40 5.825 16.627 2.210 1.00 0.00 C ATOM 596 C CYS B 40 5.448 16.271 3.650 1.00 0.00 C ATOM 597 O CYS B 40 5.793 16.971 4.580 1.00 0.00 O ATOM 598 CB CYS B 40 4.576 17.073 1.474 1.00 0.00 C ATOM 599 SG CYS B 40 4.974 17.211 -0.281 1.00 0.00 S ATOM 0 H CYS B 40 5.757 15.117 0.715 1.00 0.00 H new ATOM 0 HA CYS B 40 6.586 17.406 2.258 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.769 16.356 1.625 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.228 18.031 1.861 1.00 0.00 H new ATOM 604 N GLY B 41 4.742 15.198 3.846 1.00 0.00 N ATOM 605 CA GLY B 41 4.344 14.815 5.230 1.00 0.00 C ATOM 606 C GLY B 41 3.374 15.846 5.817 1.00 0.00 C ATOM 607 O GLY B 41 2.277 16.031 5.330 1.00 0.00 O ATOM 0 H GLY B 41 4.422 14.568 3.111 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.875 13.831 5.220 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.229 14.740 5.861 1.00 0.00 H new ATOM 611 N GLU B 42 3.762 16.494 6.882 1.00 0.00 N ATOM 612 CA GLU B 42 2.859 17.488 7.533 1.00 0.00 C ATOM 613 C GLU B 42 2.607 18.693 6.622 1.00 0.00 C ATOM 614 O GLU B 42 1.502 19.191 6.539 1.00 0.00 O ATOM 615 CB GLU B 42 3.499 17.967 8.840 1.00 0.00 C ATOM 616 CG GLU B 42 2.647 19.083 9.453 1.00 0.00 C ATOM 617 CD GLU B 42 3.050 19.291 10.915 1.00 0.00 C ATOM 618 OE1 GLU B 42 4.180 19.689 11.147 1.00 0.00 O ATOM 619 OE2 GLU B 42 2.221 19.050 11.777 1.00 0.00 O ATOM 0 H GLU B 42 4.670 16.377 7.332 1.00 0.00 H new ATOM 0 HA GLU B 42 1.902 17.005 7.731 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.585 17.136 9.540 1.00 0.00 H new ATOM 0 HB3 GLU B 42 4.509 18.330 8.650 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.783 20.008 8.892 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.590 18.824 9.390 1.00 0.00 H new ATOM 626 N ARG B 43 3.613 19.185 5.958 1.00 0.00 N ATOM 627 CA ARG B 43 3.401 20.375 5.088 1.00 0.00 C ATOM 628 C ARG B 43 2.191 20.159 4.178 1.00 0.00 C ATOM 629 O ARG B 43 1.691 21.090 3.583 1.00 0.00 O ATOM 630 CB ARG B 43 4.642 20.629 4.218 1.00 0.00 C ATOM 631 CG ARG B 43 5.907 20.311 5.003 1.00 0.00 C ATOM 632 CD ARG B 43 7.144 20.815 4.230 1.00 0.00 C ATOM 633 NE ARG B 43 7.883 19.640 3.690 1.00 0.00 N ATOM 634 CZ ARG B 43 8.868 19.812 2.852 1.00 0.00 C ATOM 635 NH1 ARG B 43 9.231 21.018 2.511 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.491 18.779 2.356 1.00 0.00 N ATOM 0 H ARG B 43 4.565 18.820 5.978 1.00 0.00 H new ATOM 0 HA ARG B 43 3.224 21.238 5.730 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.598 20.013 3.320 1.00 0.00 H new ATOM 0 HB3 ARG B 43 4.660 21.669 3.891 1.00 0.00 H new ATOM 0 HG2 ARG B 43 5.864 20.782 5.985 1.00 0.00 H new ATOM 0 HG3 ARG B 43 5.983 19.236 5.168 1.00 0.00 H new ATOM 0 HD2 ARG B 43 6.839 21.475 3.418 1.00 0.00 H new ATOM 0 HD3 ARG B 43 7.789 21.397 4.888 1.00 0.00 H new ATOM 0 HE ARG B 43 7.618 18.698 3.976 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.745 21.826 2.900 1.00 0.00 H new ATOM 0 HH12 ARG B 43 10.001 21.153 1.856 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.208 17.836 2.623 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.261 18.914 1.701 1.00 0.00 H new ATOM 650 N GLY B 44 1.726 18.949 4.033 1.00 0.00 N ATOM 651 CA GLY B 44 0.569 18.731 3.119 1.00 0.00 C ATOM 652 C GLY B 44 1.074 18.942 1.694 1.00 0.00 C ATOM 653 O GLY B 44 2.255 19.096 1.480 1.00 0.00 O ATOM 0 H GLY B 44 2.088 18.116 4.498 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.167 17.725 3.240 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -0.239 19.426 3.348 1.00 0.00 H new ATOM 657 N PHE B 45 0.225 18.949 0.707 1.00 0.00 N ATOM 658 CA PHE B 45 0.757 19.143 -0.671 1.00 0.00 C ATOM 659 C PHE B 45 -0.390 19.379 -1.677 1.00 0.00 C ATOM 660 O PHE B 45 -1.549 19.200 -1.340 1.00 0.00 O ATOM 661 CB PHE B 45 1.512 17.879 -1.057 1.00 0.00 C ATOM 662 CG PHE B 45 0.676 16.672 -0.724 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.259 16.197 -1.639 1.00 0.00 C ATOM 664 CD2 PHE B 45 0.848 16.026 0.500 1.00 0.00 C ATOM 665 CE1 PHE B 45 -1.026 15.066 -1.331 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.085 14.899 0.813 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.850 14.417 -0.101 1.00 0.00 C ATOM 0 H PHE B 45 -0.785 18.833 0.787 1.00 0.00 H new ATOM 0 HA PHE B 45 1.410 20.016 -0.692 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.743 17.892 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.462 17.834 -0.525 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.393 16.700 -2.585 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.574 16.398 1.208 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.751 14.695 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.219 14.402 1.762 1.00 0.00 H new ATOM 0 HZ PHE B 45 -1.439 13.544 0.138 1.00 0.00 H new HETATM 677 N 23F B 46 -0.084 19.793 -3.001 1.00 0.00 N HETATM 678 CA 23F B 46 -1.101 20.007 -3.960 1.00 0.00 C HETATM 679 C 23F B 46 -1.928 18.837 -4.422 1.00 0.00 C HETATM 680 CB 23F B 46 -1.353 21.276 -4.508 1.00 0.00 C HETATM 681 CG 23F B 46 -0.569 22.542 -4.232 1.00 0.00 C HETATM 682 CD1 23F B 46 0.638 22.627 -3.371 1.00 0.00 C HETATM 683 CD2 23F B 46 -1.015 23.765 -4.923 1.00 0.00 C HETATM 684 CE1 23F B 46 1.342 23.878 -3.240 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.307 24.981 -4.775 1.00 0.00 C HETATM 686 CZ 23F B 46 0.874 25.055 -3.940 1.00 0.00 C HETATM 687 O 23F B 46 -1.568 18.184 -5.382 1.00 0.00 O HETATM 0 HZ 23F B 46 1.411 25.998 -3.839 1.00 0.00 H new HETATM 0 HE2 23F B 46 -0.655 25.873 -5.296 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.230 23.938 -2.611 1.00 0.00 H new HETATM 0 HD2 23F B 46 -1.902 23.732 -5.556 1.00 0.00 H new HETATM 0 HD1 23F B 46 0.991 21.744 -2.838 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.193 21.357 -5.198 1.00 0.00 H new ATOM 695 N TYR B 47 -3.127 18.517 -3.772 1.00 0.00 N ATOM 696 CA TYR B 47 -3.987 17.372 -4.239 1.00 0.00 C ATOM 697 C TYR B 47 -5.258 17.355 -3.373 1.00 0.00 C ATOM 698 O TYR B 47 -6.272 17.914 -3.739 1.00 0.00 O ATOM 699 CB TYR B 47 -3.222 16.014 -4.127 1.00 0.00 C ATOM 700 CG TYR B 47 -3.087 15.352 -5.488 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.232 14.890 -6.145 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.822 15.184 -6.083 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.124 14.267 -7.393 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.717 14.557 -7.330 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.867 14.100 -7.986 1.00 0.00 C ATOM 706 OH TYR B 47 -2.760 13.482 -9.215 1.00 0.00 O ATOM 0 H TYR B 47 -3.492 19.020 -2.963 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.247 17.505 -5.289 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.233 16.184 -3.701 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.752 15.349 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.202 15.015 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.935 15.538 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.011 13.915 -7.899 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.747 14.425 -7.787 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.573 13.647 -9.736 1.00 0.00 H new ATOM 716 N THR B 48 -5.204 16.731 -2.225 1.00 0.00 N ATOM 717 CA THR B 48 -6.398 16.687 -1.326 1.00 0.00 C ATOM 718 C THR B 48 -7.663 16.392 -2.145 1.00 0.00 C ATOM 719 O THR B 48 -7.650 15.591 -3.058 1.00 0.00 O ATOM 720 CB THR B 48 -6.539 18.043 -0.613 1.00 0.00 C ATOM 721 OG1 THR B 48 -5.245 18.557 -0.328 1.00 0.00 O ATOM 722 CG2 THR B 48 -7.317 17.873 0.697 1.00 0.00 C ATOM 0 H THR B 48 -4.380 16.247 -1.869 1.00 0.00 H new ATOM 0 HA THR B 48 -6.269 15.896 -0.587 1.00 0.00 H new ATOM 0 HB THR B 48 -7.080 18.733 -1.260 1.00 0.00 H new ATOM 0 HG1 THR B 48 -5.329 19.422 0.125 1.00 0.00 H new ATOM 0 HG21 THR B 48 -7.410 18.839 1.193 1.00 0.00 H new ATOM 0 HG22 THR B 48 -8.310 17.478 0.482 1.00 0.00 H new ATOM 0 HG23 THR B 48 -6.785 17.181 1.349 1.00 0.00 H new ATOM 730 N LYS B 49 -8.754 17.036 -1.823 1.00 0.00 N ATOM 731 CA LYS B 49 -10.018 16.797 -2.579 1.00 0.00 C ATOM 732 C LYS B 49 -10.249 15.291 -2.745 1.00 0.00 C ATOM 733 O LYS B 49 -10.088 14.765 -3.829 1.00 0.00 O ATOM 734 CB LYS B 49 -9.911 17.426 -3.959 1.00 0.00 C ATOM 735 CG LYS B 49 -9.419 18.869 -3.831 1.00 0.00 C ATOM 736 CD LYS B 49 -9.481 19.554 -5.197 1.00 0.00 C ATOM 737 CE LYS B 49 -9.093 21.027 -5.049 1.00 0.00 C ATOM 738 NZ LYS B 49 -9.927 21.656 -3.986 1.00 0.00 N ATOM 0 H LYS B 49 -8.824 17.718 -1.068 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.848 17.239 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -9.223 16.851 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.881 17.405 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.034 19.411 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.397 18.883 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -8.807 19.058 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.486 19.472 -5.611 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.036 21.112 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.237 21.549 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -9.962 22.685 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.891 21.267 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.511 21.456 -3.054 1.00 0.00 H new ATOM 752 N PRO B 50 -10.608 14.633 -1.673 1.00 0.00 N ATOM 753 CA PRO B 50 -10.848 13.188 -1.700 1.00 0.00 C ATOM 754 C PRO B 50 -11.924 12.846 -2.736 1.00 0.00 C ATOM 755 O PRO B 50 -11.723 12.026 -3.611 1.00 0.00 O ATOM 756 CB PRO B 50 -11.300 12.843 -0.267 1.00 0.00 C ATOM 757 CG PRO B 50 -10.980 14.077 0.606 1.00 0.00 C ATOM 758 CD PRO B 50 -10.796 15.262 -0.357 1.00 0.00 C ATOM 0 HA PRO B 50 -9.966 12.616 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -12.366 12.616 -0.241 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -10.777 11.961 0.102 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -11.788 14.273 1.311 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -10.077 13.912 1.194 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -11.666 15.919 -0.350 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -9.935 15.870 -0.080 1.00 0.00 H new ATOM 766 N THR B 51 -13.066 13.472 -2.636 1.00 0.00 N ATOM 767 CA THR B 51 -14.175 13.201 -3.603 1.00 0.00 C ATOM 768 C THR B 51 -14.835 14.523 -4.000 1.00 0.00 C ATOM 769 O THR B 51 -14.119 15.500 -4.145 1.00 0.00 O ATOM 770 CB THR B 51 -15.216 12.294 -2.939 1.00 0.00 C ATOM 771 OG1 THR B 51 -15.783 12.966 -1.823 1.00 0.00 O ATOM 772 CG2 THR B 51 -14.546 11.001 -2.473 1.00 0.00 C ATOM 773 OXT THR B 51 -16.045 14.536 -4.154 1.00 0.00 O ATOM 0 H THR B 51 -13.282 14.166 -1.920 1.00 0.00 H new ATOM 0 HA THR B 51 -13.775 12.711 -4.491 1.00 0.00 H new ATOM 0 HB THR B 51 -16.001 12.054 -3.656 1.00 0.00 H new ATOM 0 HG1 THR B 51 -16.451 12.388 -1.398 1.00 0.00 H new ATOM 0 HG21 THR B 51 -15.288 10.357 -2.001 1.00 0.00 H new ATOM 0 HG22 THR B 51 -14.112 10.487 -3.330 1.00 0.00 H new ATOM 0 HG23 THR B 51 -13.760 11.237 -1.755 1.00 0.00 H new TER 781 THR B 51