USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 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 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD NoAdj-H: B 23 DAL H : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 166:sc= 1.02 USER MOD Set 1.2: A 15 GLN : amide:sc= 1.17 K(o=2.2,f=1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.12) USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.0272 USER MOD Single : A 9 SER OG : rot 73:sc= 1.06 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.607 K(o=0.61,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= -1.11! USER MOD Single : A 21 ASN : amide:sc= 0.796 K(o=0.8,f=-0.15) USER MOD Single : B 1 PHE N :NH3+ -156:sc= 0.829 (180deg=-0.237) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.128 F(o=-0.88,f=-0.13) USER MOD Single : B 4 GLN : amide:sc= -0.856 X(o=-0.86,f=-0.88) USER MOD Single : B 5 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-5.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0922 USER MOD Single : B 10 HIS :FLIP no HE2:sc= 0.198 F(o=-2.1!,f=0.2) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 15:sc= -1.59! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.193 USER MOD Single : B 28 LYS NZ :NH3+ 145:sc= 0.278 (180deg=0.00275) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.348 5.482 3.793 1.00 0.00 N ATOM 2 CA GLY A 1 -8.445 4.319 3.386 1.00 0.00 C ATOM 3 C GLY A 1 -6.996 4.567 3.144 1.00 0.00 C ATOM 4 O GLY A 1 -6.372 5.365 3.815 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.321 5.138 3.921 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.005 5.892 4.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.333 6.210 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.521 3.558 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.859 3.887 2.475 1.00 0.00 H new ATOM 10 N ILE A 2 -6.422 3.897 2.181 1.00 0.00 N ATOM 11 CA ILE A 2 -4.976 4.102 1.889 1.00 0.00 C ATOM 12 C ILE A 2 -4.832 4.965 0.634 1.00 0.00 C ATOM 13 O ILE A 2 -3.775 5.494 0.349 1.00 0.00 O ATOM 14 CB ILE A 2 -4.305 2.749 1.655 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.907 2.966 1.074 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.142 1.927 0.673 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.111 1.663 1.156 1.00 0.00 C ATOM 0 H ILE A 2 -6.893 3.217 1.584 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.500 4.601 2.734 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.226 2.215 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.980 3.295 0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.392 3.754 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.663 0.962 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.139 1.771 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.221 2.461 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.115 1.818 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.027 1.353 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.623 0.887 0.587 1.00 0.00 H new ATOM 29 N VAL A 3 -5.887 5.111 -0.116 1.00 0.00 N ATOM 30 CA VAL A 3 -5.819 5.937 -1.348 1.00 0.00 C ATOM 31 C VAL A 3 -5.258 7.319 -1.004 1.00 0.00 C ATOM 32 O VAL A 3 -4.453 7.871 -1.725 1.00 0.00 O ATOM 33 CB VAL A 3 -7.226 6.077 -1.928 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.237 7.184 -2.980 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.644 4.755 -2.574 1.00 0.00 C ATOM 0 H VAL A 3 -6.797 4.691 0.074 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.168 5.461 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.924 6.329 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.241 7.283 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.939 8.126 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.539 6.934 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.647 4.854 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.945 4.503 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.637 3.965 -1.823 1.00 0.00 H new ATOM 45 N GLU A 4 -5.680 7.882 0.097 1.00 0.00 N ATOM 46 CA GLU A 4 -5.172 9.226 0.486 1.00 0.00 C ATOM 47 C GLU A 4 -3.773 9.093 1.093 1.00 0.00 C ATOM 48 O GLU A 4 -3.142 10.071 1.440 1.00 0.00 O ATOM 49 CB GLU A 4 -6.116 9.850 1.516 1.00 0.00 C ATOM 50 CG GLU A 4 -7.108 10.773 0.808 1.00 0.00 C ATOM 51 CD GLU A 4 -8.339 9.970 0.383 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.163 8.938 -0.243 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.438 10.400 0.693 1.00 0.00 O ATOM 0 H GLU A 4 -6.354 7.468 0.742 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.124 9.862 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.652 9.068 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.545 10.412 2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.402 11.586 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.639 11.228 -0.064 1.00 0.00 H new ATOM 60 N GLN A 5 -3.283 7.891 1.223 1.00 0.00 N ATOM 61 CA GLN A 5 -1.925 7.701 1.810 1.00 0.00 C ATOM 62 C GLN A 5 -0.930 7.358 0.700 1.00 0.00 C ATOM 63 O GLN A 5 0.210 7.778 0.725 1.00 0.00 O ATOM 64 CB GLN A 5 -1.966 6.558 2.827 1.00 0.00 C ATOM 65 CG GLN A 5 -0.704 6.598 3.689 1.00 0.00 C ATOM 66 CD GLN A 5 -1.096 6.787 5.156 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.463 7.534 5.874 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.121 6.137 5.633 1.00 0.00 N ATOM 0 H GLN A 5 -3.762 7.033 0.949 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.613 8.620 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.852 6.648 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.037 5.600 2.311 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.139 5.674 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.056 7.413 3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.653 5.510 5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.391 6.256 6.609 1.00 0.00 H new ATOM 77 N CYS A 6 -1.349 6.595 -0.272 1.00 0.00 N ATOM 78 CA CYS A 6 -0.423 6.223 -1.377 1.00 0.00 C ATOM 79 C CYS A 6 -0.723 7.077 -2.610 1.00 0.00 C ATOM 80 O CYS A 6 0.064 7.151 -3.531 1.00 0.00 O ATOM 81 CB CYS A 6 -0.610 4.745 -1.719 1.00 0.00 C ATOM 82 SG CYS A 6 -0.343 3.743 -0.234 1.00 0.00 S ATOM 0 H CYS A 6 -2.292 6.214 -0.348 1.00 0.00 H new ATOM 0 HA CYS A 6 0.606 6.397 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.613 4.575 -2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.090 4.450 -2.500 1.00 0.00 H new ATOM 87 N CYS A 7 -1.855 7.728 -2.635 1.00 0.00 N ATOM 88 CA CYS A 7 -2.196 8.578 -3.810 1.00 0.00 C ATOM 89 C CYS A 7 -2.118 10.052 -3.408 1.00 0.00 C ATOM 90 O CYS A 7 -1.687 10.892 -4.174 1.00 0.00 O ATOM 91 CB CYS A 7 -3.615 8.255 -4.285 1.00 0.00 C ATOM 92 SG CYS A 7 -3.839 8.864 -5.974 1.00 0.00 S ATOM 0 H CYS A 7 -2.556 7.708 -1.894 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.491 8.380 -4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.786 7.179 -4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.346 8.716 -3.621 1.00 0.00 H new ATOM 97 N THR A 8 -2.533 10.371 -2.213 1.00 0.00 N ATOM 98 CA THR A 8 -2.483 11.789 -1.763 1.00 0.00 C ATOM 99 C THR A 8 -1.213 12.020 -0.943 1.00 0.00 C ATOM 100 O THR A 8 -0.764 13.136 -0.778 1.00 0.00 O ATOM 101 CB THR A 8 -3.711 12.087 -0.901 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.881 12.018 -1.704 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.584 13.487 -0.301 1.00 0.00 C ATOM 0 H THR A 8 -2.904 9.711 -1.530 1.00 0.00 H new ATOM 0 HA THR A 8 -2.477 12.449 -2.630 1.00 0.00 H new ATOM 0 HB THR A 8 -3.779 11.353 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.559 12.629 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.459 13.700 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.686 13.539 0.315 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.516 14.222 -1.103 1.00 0.00 H new ATOM 111 N SER A 9 -0.628 10.973 -0.426 1.00 0.00 N ATOM 112 CA SER A 9 0.613 11.137 0.382 1.00 0.00 C ATOM 113 C SER A 9 1.645 10.087 -0.037 1.00 0.00 C ATOM 114 O SER A 9 1.602 9.562 -1.132 1.00 0.00 O ATOM 115 CB SER A 9 0.283 10.961 1.866 1.00 0.00 C ATOM 116 OG SER A 9 -1.072 11.324 2.091 1.00 0.00 O ATOM 0 H SER A 9 -0.956 10.013 -0.529 1.00 0.00 H new ATOM 0 HA SER A 9 1.022 12.133 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.449 9.927 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.943 11.580 2.473 1.00 0.00 H new ATOM 0 HG SER A 9 -1.661 10.634 1.720 1.00 0.00 H new ATOM 122 N ILE A 10 2.575 9.782 0.826 1.00 0.00 N ATOM 123 CA ILE A 10 3.614 8.770 0.480 1.00 0.00 C ATOM 124 C ILE A 10 3.256 7.428 1.125 1.00 0.00 C ATOM 125 O ILE A 10 2.405 7.352 1.989 1.00 0.00 O ATOM 126 CB ILE A 10 4.972 9.243 1.002 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.475 10.403 0.140 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.976 8.091 0.939 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.718 11.681 0.509 1.00 0.00 C ATOM 0 H ILE A 10 2.661 10.190 1.757 1.00 0.00 H new ATOM 0 HA ILE A 10 3.661 8.649 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 10 4.866 9.575 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.545 10.545 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.330 10.174 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.943 8.430 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.620 7.264 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.082 7.757 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.077 12.507 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.652 11.536 0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.885 11.912 1.561 1.00 0.00 H new ATOM 141 N CYS A 11 3.898 6.369 0.711 1.00 0.00 N ATOM 142 CA CYS A 11 3.592 5.034 1.301 1.00 0.00 C ATOM 143 C CYS A 11 4.870 4.193 1.362 1.00 0.00 C ATOM 144 O CYS A 11 5.454 3.859 0.350 1.00 0.00 O ATOM 145 CB CYS A 11 2.553 4.320 0.433 1.00 0.00 C ATOM 146 SG CYS A 11 0.892 4.856 0.914 1.00 0.00 S ATOM 0 H CYS A 11 4.620 6.370 -0.009 1.00 0.00 H new ATOM 0 HA CYS A 11 3.198 5.166 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.728 4.543 -0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.646 3.240 0.550 1.00 0.00 H new ATOM 151 N SER A 12 5.306 3.844 2.542 1.00 0.00 N ATOM 152 CA SER A 12 6.542 3.021 2.671 1.00 0.00 C ATOM 153 C SER A 12 6.200 1.551 2.420 1.00 0.00 C ATOM 154 O SER A 12 5.317 0.994 3.043 1.00 0.00 O ATOM 155 CB SER A 12 7.115 3.177 4.080 1.00 0.00 C ATOM 156 OG SER A 12 6.130 2.796 5.032 1.00 0.00 O ATOM 0 H SER A 12 4.858 4.094 3.424 1.00 0.00 H new ATOM 0 HA SER A 12 7.280 3.355 1.941 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.005 2.559 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.420 4.210 4.249 1.00 0.00 H new ATOM 0 HG SER A 12 6.551 2.677 5.909 1.00 0.00 H new ATOM 162 N LEU A 13 6.886 0.917 1.508 1.00 0.00 N ATOM 163 CA LEU A 13 6.592 -0.514 1.218 1.00 0.00 C ATOM 164 C LEU A 13 6.409 -1.282 2.526 1.00 0.00 C ATOM 165 O LEU A 13 5.674 -2.245 2.593 1.00 0.00 O ATOM 166 CB LEU A 13 7.748 -1.126 0.426 1.00 0.00 C ATOM 167 CG LEU A 13 9.035 -1.019 1.242 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.476 -2.413 1.688 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.129 -0.389 0.381 1.00 0.00 C ATOM 0 H LEU A 13 7.636 1.328 0.952 1.00 0.00 H new ATOM 0 HA LEU A 13 5.675 -0.578 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.535 -2.170 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.864 -0.609 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 13 8.858 -0.398 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.394 -2.335 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.695 -2.863 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.654 -3.036 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.049 -0.311 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.305 -1.011 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.815 0.605 0.064 1.00 0.00 H new ATOM 181 N TYR A 14 7.067 -0.860 3.570 1.00 0.00 N ATOM 182 CA TYR A 14 6.917 -1.568 4.870 1.00 0.00 C ATOM 183 C TYR A 14 5.465 -1.451 5.335 1.00 0.00 C ATOM 184 O TYR A 14 4.825 -2.428 5.664 1.00 0.00 O ATOM 185 CB TYR A 14 7.843 -0.931 5.908 1.00 0.00 C ATOM 186 CG TYR A 14 8.174 -1.943 6.979 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.257 -2.203 8.006 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.402 -2.618 6.947 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.567 -3.139 9.000 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.711 -3.556 7.943 1.00 0.00 C ATOM 191 CZ TYR A 14 8.793 -3.817 8.969 1.00 0.00 C ATOM 192 OH TYR A 14 9.099 -4.739 9.949 1.00 0.00 O ATOM 0 H TYR A 14 7.699 -0.059 3.579 1.00 0.00 H new ATOM 0 HA TYR A 14 7.181 -2.619 4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.757 -0.581 5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.363 -0.059 6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.312 -1.682 8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.109 -2.416 6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.860 -3.339 9.792 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.657 -4.077 7.919 1.00 0.00 H new ATOM 0 HH TYR A 14 9.987 -5.117 9.777 1.00 0.00 H new ATOM 202 N GLN A 15 4.938 -0.258 5.349 1.00 0.00 N ATOM 203 CA GLN A 15 3.525 -0.075 5.783 1.00 0.00 C ATOM 204 C GLN A 15 2.604 -0.718 4.747 1.00 0.00 C ATOM 205 O GLN A 15 1.735 -1.501 5.073 1.00 0.00 O ATOM 206 CB GLN A 15 3.210 1.419 5.890 1.00 0.00 C ATOM 207 CG GLN A 15 3.806 1.976 7.184 1.00 0.00 C ATOM 208 CD GLN A 15 3.573 3.487 7.247 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.648 3.945 7.888 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.379 4.286 6.603 1.00 0.00 N ATOM 0 H GLN A 15 5.424 0.597 5.079 1.00 0.00 H new ATOM 0 HA GLN A 15 3.373 -0.543 6.756 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.619 1.950 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.131 1.576 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.348 1.491 8.046 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.874 1.760 7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.156 3.902 6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.232 5.295 6.638 1.00 0.00 H new ATOM 219 N LEU A 16 2.797 -0.400 3.498 1.00 0.00 N ATOM 220 CA LEU A 16 1.947 -0.994 2.435 1.00 0.00 C ATOM 221 C LEU A 16 1.817 -2.494 2.661 1.00 0.00 C ATOM 222 O LEU A 16 0.781 -3.084 2.418 1.00 0.00 O ATOM 223 CB LEU A 16 2.614 -0.775 1.086 1.00 0.00 C ATOM 224 CG LEU A 16 2.235 0.591 0.539 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.888 0.761 -0.823 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.716 0.681 0.397 1.00 0.00 C ATOM 0 H LEU A 16 3.511 0.249 3.168 1.00 0.00 H new ATOM 0 HA LEU A 16 0.963 -0.525 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.697 -0.848 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.308 -1.554 0.388 1.00 0.00 H new ATOM 0 HG LEU A 16 2.574 1.375 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.627 1.737 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.971 0.689 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.535 -0.021 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.445 1.661 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.368 -0.093 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.250 0.539 1.372 1.00 0.00 H new ATOM 238 N GLU A 17 2.867 -3.123 3.101 1.00 0.00 N ATOM 239 CA GLU A 17 2.812 -4.589 3.313 1.00 0.00 C ATOM 240 C GLU A 17 1.651 -4.933 4.249 1.00 0.00 C ATOM 241 O GLU A 17 1.091 -6.010 4.189 1.00 0.00 O ATOM 242 CB GLU A 17 4.129 -5.071 3.926 1.00 0.00 C ATOM 243 CG GLU A 17 4.174 -6.600 3.906 1.00 0.00 C ATOM 244 CD GLU A 17 5.540 -7.076 4.407 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.893 -6.728 5.521 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.207 -7.782 3.668 1.00 0.00 O ATOM 0 H GLU A 17 3.760 -2.684 3.323 1.00 0.00 H new ATOM 0 HA GLU A 17 2.659 -5.085 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.972 -4.665 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.220 -4.708 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.382 -7.006 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.997 -6.967 2.895 1.00 0.00 H new ATOM 253 N ASN A 18 1.283 -4.028 5.113 1.00 0.00 N ATOM 254 CA ASN A 18 0.157 -4.308 6.049 1.00 0.00 C ATOM 255 C ASN A 18 -1.139 -4.477 5.250 1.00 0.00 C ATOM 256 O ASN A 18 -2.151 -4.896 5.774 1.00 0.00 O ATOM 257 CB ASN A 18 0.003 -3.142 7.030 1.00 0.00 C ATOM 258 CG ASN A 18 -0.353 -3.684 8.414 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.285 -3.350 9.394 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.353 -4.513 8.541 1.00 0.00 N ATOM 0 H ASN A 18 1.712 -3.108 5.212 1.00 0.00 H new ATOM 0 HA ASN A 18 0.366 -5.223 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.929 -2.569 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.775 -2.461 6.683 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.598 -4.879 9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.889 -4.794 7.720 1.00 0.00 H new ATOM 267 N TYR A 19 -1.117 -4.152 3.985 1.00 0.00 N ATOM 268 CA TYR A 19 -2.348 -4.294 3.158 1.00 0.00 C ATOM 269 C TYR A 19 -2.383 -5.687 2.526 1.00 0.00 C ATOM 270 O TYR A 19 -3.210 -5.978 1.685 1.00 0.00 O ATOM 271 CB TYR A 19 -2.342 -3.233 2.055 1.00 0.00 C ATOM 272 CG TYR A 19 -2.569 -1.876 2.671 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.510 -1.205 3.298 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.840 -1.286 2.622 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.720 0.053 3.874 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.050 -0.027 3.198 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.990 0.643 3.825 1.00 0.00 C ATOM 278 OH TYR A 19 -3.197 1.883 4.392 1.00 0.00 O ATOM 0 H TYR A 19 -0.300 -3.795 3.490 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.227 -4.161 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.391 -3.250 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.120 -3.448 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.531 -1.659 3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.657 -1.802 2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.903 0.569 4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.029 0.428 3.159 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.369 2.405 4.349 1.00 0.00 H new ATOM 288 N CYS A 20 -1.490 -6.552 2.924 1.00 0.00 N ATOM 289 CA CYS A 20 -1.474 -7.923 2.344 1.00 0.00 C ATOM 290 C CYS A 20 -2.800 -8.622 2.653 1.00 0.00 C ATOM 291 O CYS A 20 -3.705 -8.039 3.214 1.00 0.00 O ATOM 292 CB CYS A 20 -0.323 -8.721 2.957 1.00 0.00 C ATOM 293 SG CYS A 20 0.472 -9.709 1.670 1.00 0.00 S ATOM 0 H CYS A 20 -0.772 -6.368 3.625 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.339 -7.860 1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.401 -8.045 3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.696 -9.369 3.750 1.00 0.00 H new ATOM 298 N ASN A 21 -2.921 -9.871 2.291 1.00 0.00 N ATOM 299 CA ASN A 21 -4.189 -10.605 2.565 1.00 0.00 C ATOM 300 C ASN A 21 -4.245 -10.993 4.043 1.00 0.00 C ATOM 301 O ASN A 21 -4.080 -12.165 4.336 1.00 0.00 O ATOM 302 CB ASN A 21 -4.242 -11.869 1.704 1.00 0.00 C ATOM 303 CG ASN A 21 -5.700 -12.268 1.470 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.390 -12.657 2.392 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.200 -12.188 0.268 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.455 -10.109 4.858 1.00 0.00 O ATOM 0 H ASN A 21 -2.198 -10.413 1.818 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.038 -9.965 2.325 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.745 -11.693 0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.707 -12.680 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.171 -12.452 0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.620 -11.861 -0.505 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.577 1.990 -4.276 1.00 0.00 N ATOM 315 CA PHE B 1 12.254 2.542 -3.865 1.00 0.00 C ATOM 316 C PHE B 1 12.466 3.788 -3.003 1.00 0.00 C ATOM 317 O PHE B 1 13.258 3.792 -2.081 1.00 0.00 O ATOM 318 CB PHE B 1 11.486 1.489 -3.061 1.00 0.00 C ATOM 319 CG PHE B 1 12.459 0.640 -2.278 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.149 -0.402 -2.913 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.670 0.890 -0.914 1.00 0.00 C ATOM 322 CE1 PHE B 1 14.052 -1.190 -2.186 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.572 0.102 -0.189 1.00 0.00 C ATOM 324 CZ PHE B 1 14.263 -0.939 -0.825 1.00 0.00 C ATOM 0 H1 PHE B 1 13.465 1.433 -5.147 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.241 2.772 -4.448 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.949 1.380 -3.520 1.00 0.00 H new ATOM 0 HA PHE B 1 11.681 2.808 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.784 1.975 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.899 0.862 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.985 -0.598 -3.962 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.137 1.690 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.585 -1.991 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.736 0.296 0.861 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.958 -1.547 -0.265 1.00 0.00 H new ATOM 336 N VAL B 2 11.762 4.847 -3.294 1.00 0.00 N ATOM 337 CA VAL B 2 11.920 6.093 -2.493 1.00 0.00 C ATOM 338 C VAL B 2 10.549 6.734 -2.279 1.00 0.00 C ATOM 339 O VAL B 2 9.587 6.400 -2.941 1.00 0.00 O ATOM 340 CB VAL B 2 12.826 7.069 -3.244 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.291 6.735 -2.955 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.566 6.948 -4.747 1.00 0.00 C ATOM 0 H VAL B 2 11.083 4.903 -4.053 1.00 0.00 H new ATOM 0 HA VAL B 2 12.366 5.853 -1.528 1.00 0.00 H new ATOM 0 HB VAL B 2 12.614 8.086 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.936 7.432 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.479 6.817 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.504 5.718 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.211 7.643 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.779 5.930 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.523 7.185 -4.956 1.00 0.00 H new ATOM 352 N ASN B 3 10.447 7.655 -1.359 1.00 0.00 N ATOM 353 CA ASN B 3 9.135 8.312 -1.110 1.00 0.00 C ATOM 354 C ASN B 3 8.505 8.700 -2.443 1.00 0.00 C ATOM 355 O ASN B 3 9.037 9.499 -3.188 1.00 0.00 O ATOM 356 CB ASN B 3 9.337 9.563 -0.252 1.00 0.00 C ATOM 357 CG ASN B 3 10.047 9.183 1.048 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.539 8.252 1.808 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 11.076 9.739 1.376 1.00 0.00 N flip ATOM 0 H ASN B 3 11.215 7.979 -0.771 1.00 0.00 H new ATOM 0 HA ASN B 3 8.477 7.621 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.926 10.300 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.374 10.024 -0.031 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.474 10.467 0.783 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.542 9.478 2.245 1.00 0.00 H new ATOM 366 N GLN B 4 7.380 8.126 -2.751 1.00 0.00 N ATOM 367 CA GLN B 4 6.710 8.440 -4.036 1.00 0.00 C ATOM 368 C GLN B 4 5.214 8.127 -3.908 1.00 0.00 C ATOM 369 O GLN B 4 4.826 7.102 -3.386 1.00 0.00 O ATOM 370 CB GLN B 4 7.363 7.588 -5.138 1.00 0.00 C ATOM 371 CG GLN B 4 6.321 7.128 -6.161 1.00 0.00 C ATOM 372 CD GLN B 4 6.980 6.981 -7.534 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.408 5.906 -7.903 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.079 8.025 -8.312 1.00 0.00 N ATOM 0 H GLN B 4 6.894 7.449 -2.163 1.00 0.00 H new ATOM 0 HA GLN B 4 6.818 9.494 -4.290 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.140 8.166 -5.639 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.849 6.720 -4.692 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.887 6.177 -5.851 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.505 7.849 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.720 8.928 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.516 7.938 -9.230 1.00 0.00 H new ATOM 383 N HIS B 5 4.373 9.004 -4.384 1.00 0.00 N ATOM 384 CA HIS B 5 2.905 8.756 -4.292 1.00 0.00 C ATOM 385 C HIS B 5 2.451 7.968 -5.524 1.00 0.00 C ATOM 386 O HIS B 5 2.742 8.335 -6.644 1.00 0.00 O ATOM 387 CB HIS B 5 2.150 10.090 -4.235 1.00 0.00 C ATOM 388 CG HIS B 5 3.042 11.162 -3.662 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.104 11.673 -4.379 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.015 11.807 -2.455 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.684 12.597 -3.600 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.053 12.714 -2.414 1.00 0.00 N ATOM 0 H HIS B 5 4.638 9.881 -4.832 1.00 0.00 H new ATOM 0 HA HIS B 5 2.692 8.187 -3.387 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.821 10.374 -5.235 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.254 9.985 -3.623 1.00 0.00 H new ATOM 0 HD1 HIS B 5 4.392 11.401 -5.319 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.299 11.634 -1.665 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.549 13.176 -3.887 1.00 0.00 H new ATOM 400 N LEU B 6 1.744 6.889 -5.328 1.00 0.00 N ATOM 401 CA LEU B 6 1.281 6.086 -6.495 1.00 0.00 C ATOM 402 C LEU B 6 -0.244 5.970 -6.465 1.00 0.00 C ATOM 403 O LEU B 6 -0.876 6.212 -5.454 1.00 0.00 O ATOM 404 CB LEU B 6 1.899 4.687 -6.431 1.00 0.00 C ATOM 405 CG LEU B 6 3.409 4.780 -6.663 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.962 3.385 -6.953 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.696 5.694 -7.857 1.00 0.00 C ATOM 0 H LEU B 6 1.468 6.530 -4.414 1.00 0.00 H new ATOM 0 HA LEU B 6 1.590 6.578 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.698 4.234 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.444 4.043 -7.184 1.00 0.00 H new ATOM 0 HG LEU B 6 3.885 5.190 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.038 3.447 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.763 2.731 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.480 2.981 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.772 5.756 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.219 5.288 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.301 6.690 -7.656 1.00 0.00 H new ATOM 419 N CYS B 7 -0.841 5.602 -7.566 1.00 0.00 N ATOM 420 CA CYS B 7 -2.325 5.473 -7.600 1.00 0.00 C ATOM 421 C CYS B 7 -2.718 4.401 -8.618 1.00 0.00 C ATOM 422 O CYS B 7 -1.878 3.743 -9.200 1.00 0.00 O ATOM 423 CB CYS B 7 -2.945 6.809 -8.005 1.00 0.00 C ATOM 424 SG CYS B 7 -2.251 8.132 -6.986 1.00 0.00 S ATOM 0 H CYS B 7 -0.366 5.385 -8.442 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.688 5.190 -6.612 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.750 7.007 -9.059 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.027 6.771 -7.883 1.00 0.00 H new ATOM 429 N GLY B 8 -3.993 4.224 -8.839 1.00 0.00 N ATOM 430 CA GLY B 8 -4.445 3.199 -9.822 1.00 0.00 C ATOM 431 C GLY B 8 -3.634 1.916 -9.635 1.00 0.00 C ATOM 432 O GLY B 8 -3.101 1.654 -8.575 1.00 0.00 O ATOM 0 H GLY B 8 -4.741 4.745 -8.381 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.507 2.993 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.321 3.575 -10.838 1.00 0.00 H new ATOM 436 N SER B 9 -3.538 1.111 -10.657 1.00 0.00 N ATOM 437 CA SER B 9 -2.764 -0.153 -10.537 1.00 0.00 C ATOM 438 C SER B 9 -1.321 0.166 -10.133 1.00 0.00 C ATOM 439 O SER B 9 -0.619 -0.658 -9.580 1.00 0.00 O ATOM 440 CB SER B 9 -2.769 -0.886 -11.876 1.00 0.00 C ATOM 441 OG SER B 9 -2.978 0.051 -12.925 1.00 0.00 O ATOM 0 H SER B 9 -3.963 1.275 -11.570 1.00 0.00 H new ATOM 0 HA SER B 9 -3.222 -0.786 -9.777 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.823 -1.407 -12.022 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.554 -1.642 -11.887 1.00 0.00 H new ATOM 0 HG SER B 9 -2.980 -0.417 -13.786 1.00 0.00 H new ATOM 447 N HIS B 10 -0.873 1.360 -10.409 1.00 0.00 N ATOM 448 CA HIS B 10 0.526 1.738 -10.050 1.00 0.00 C ATOM 449 C HIS B 10 0.720 1.630 -8.536 1.00 0.00 C ATOM 450 O HIS B 10 1.659 1.019 -8.065 1.00 0.00 O ATOM 451 CB HIS B 10 0.808 3.180 -10.487 1.00 0.00 C ATOM 452 CG HIS B 10 0.087 3.480 -11.772 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.163 3.985 -12.004 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.679 3.263 -12.999 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.355 4.088 -13.366 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.213 3.637 -13.927 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.415 2.092 -10.868 1.00 0.00 H new ATOM 0 HA HIS B 10 1.213 1.062 -10.559 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.486 3.873 -9.710 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.880 3.325 -10.620 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -1.842 4.243 -11.287 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.668 2.869 -13.177 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.234 4.453 -13.876 1.00 0.00 H new ATOM 464 N LEU B 11 -0.150 2.228 -7.770 1.00 0.00 N ATOM 465 CA LEU B 11 0.004 2.165 -6.291 1.00 0.00 C ATOM 466 C LEU B 11 -0.090 0.712 -5.816 1.00 0.00 C ATOM 467 O LEU B 11 0.577 0.316 -4.880 1.00 0.00 O ATOM 468 CB LEU B 11 -1.075 3.018 -5.624 1.00 0.00 C ATOM 469 CG LEU B 11 -2.355 2.211 -5.453 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.359 1.552 -4.076 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.539 3.150 -5.570 1.00 0.00 C ATOM 0 H LEU B 11 -0.957 2.755 -8.103 1.00 0.00 H new ATOM 0 HA LEU B 11 0.983 2.557 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.724 3.366 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.273 3.904 -6.228 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.416 1.439 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.275 0.974 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.497 0.890 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.308 2.320 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.464 2.586 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.476 3.913 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.530 3.627 -6.550 1.00 0.00 H new ATOM 483 N VAL B 12 -0.898 -0.094 -6.455 1.00 0.00 N ATOM 484 CA VAL B 12 -0.993 -1.520 -6.019 1.00 0.00 C ATOM 485 C VAL B 12 0.177 -2.288 -6.611 1.00 0.00 C ATOM 486 O VAL B 12 0.729 -3.161 -5.981 1.00 0.00 O ATOM 487 CB VAL B 12 -2.309 -2.173 -6.454 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.269 -2.212 -5.270 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.954 -1.384 -7.586 1.00 0.00 C ATOM 0 H VAL B 12 -1.487 0.166 -7.246 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.964 -1.546 -4.930 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.095 -3.183 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.206 -2.676 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.825 -2.791 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.463 -1.196 -4.925 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.887 -1.865 -7.879 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.160 -0.368 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.277 -1.354 -8.440 1.00 0.00 H new ATOM 499 N GLU B 13 0.585 -1.962 -7.806 1.00 0.00 N ATOM 500 CA GLU B 13 1.745 -2.679 -8.395 1.00 0.00 C ATOM 501 C GLU B 13 2.842 -2.697 -7.337 1.00 0.00 C ATOM 502 O GLU B 13 3.627 -3.620 -7.241 1.00 0.00 O ATOM 503 CB GLU B 13 2.237 -1.949 -9.645 1.00 0.00 C ATOM 504 CG GLU B 13 1.485 -2.470 -10.871 1.00 0.00 C ATOM 505 CD GLU B 13 2.481 -2.742 -12.001 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.513 -2.091 -12.026 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.194 -3.596 -12.824 1.00 0.00 O ATOM 0 H GLU B 13 0.170 -1.238 -8.393 1.00 0.00 H new ATOM 0 HA GLU B 13 1.467 -3.692 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.079 -0.876 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.309 -2.103 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.945 -3.383 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.743 -1.740 -11.194 1.00 0.00 H new ATOM 514 N ALA B 14 2.864 -1.685 -6.510 1.00 0.00 N ATOM 515 CA ALA B 14 3.864 -1.635 -5.415 1.00 0.00 C ATOM 516 C ALA B 14 3.418 -2.632 -4.349 1.00 0.00 C ATOM 517 O ALA B 14 4.173 -3.482 -3.923 1.00 0.00 O ATOM 518 CB ALA B 14 3.913 -0.225 -4.826 1.00 0.00 C ATOM 0 H ALA B 14 2.227 -0.889 -6.550 1.00 0.00 H new ATOM 0 HA ALA B 14 4.859 -1.886 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.648 -0.192 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.194 0.485 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.932 0.039 -4.431 1.00 0.00 H new ATOM 524 N LEU B 15 2.175 -2.557 -3.942 1.00 0.00 N ATOM 525 CA LEU B 15 1.670 -3.532 -2.936 1.00 0.00 C ATOM 526 C LEU B 15 1.817 -4.931 -3.528 1.00 0.00 C ATOM 527 O LEU B 15 2.299 -5.851 -2.898 1.00 0.00 O ATOM 528 CB LEU B 15 0.195 -3.256 -2.654 1.00 0.00 C ATOM 529 CG LEU B 15 0.083 -2.188 -1.572 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.330 -1.615 -1.569 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.384 -2.813 -0.210 1.00 0.00 C ATOM 0 H LEU B 15 1.495 -1.867 -4.262 1.00 0.00 H new ATOM 0 HA LEU B 15 2.232 -3.446 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.305 -2.923 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.303 -4.170 -2.332 1.00 0.00 H new ATOM 0 HG LEU B 15 0.797 -1.389 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.411 -0.851 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.545 -1.171 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.046 -2.412 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.305 -2.051 0.565 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.331 -3.611 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.394 -3.224 -0.213 1.00 0.00 H new ATOM 543 N TYR B 16 1.412 -5.075 -4.758 1.00 0.00 N ATOM 544 CA TYR B 16 1.519 -6.381 -5.454 1.00 0.00 C ATOM 545 C TYR B 16 2.908 -6.970 -5.207 1.00 0.00 C ATOM 546 O TYR B 16 3.076 -8.170 -5.105 1.00 0.00 O ATOM 547 CB TYR B 16 1.320 -6.140 -6.954 1.00 0.00 C ATOM 548 CG TYR B 16 0.380 -7.172 -7.519 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.740 -8.522 -7.517 1.00 0.00 C ATOM 550 CD2 TYR B 16 -0.856 -6.774 -8.047 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.135 -9.483 -8.044 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.732 -7.732 -8.573 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.372 -9.088 -8.571 1.00 0.00 C ATOM 554 OH TYR B 16 -2.233 -10.032 -9.091 1.00 0.00 O ATOM 0 H TYR B 16 1.004 -4.327 -5.318 1.00 0.00 H new ATOM 0 HA TYR B 16 0.766 -7.076 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.919 -5.140 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.279 -6.188 -7.469 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.693 -8.826 -7.109 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.132 -5.730 -8.048 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.144 -10.526 -8.044 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.685 -7.427 -8.980 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.046 -9.591 -9.413 1.00 0.00 H new ATOM 564 N LEU B 17 3.904 -6.133 -5.109 1.00 0.00 N ATOM 565 CA LEU B 17 5.283 -6.637 -4.868 1.00 0.00 C ATOM 566 C LEU B 17 5.501 -6.836 -3.367 1.00 0.00 C ATOM 567 O LEU B 17 6.016 -7.848 -2.936 1.00 0.00 O ATOM 568 CB LEU B 17 6.294 -5.621 -5.401 1.00 0.00 C ATOM 569 CG LEU B 17 7.445 -6.362 -6.076 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.304 -6.251 -7.596 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.775 -5.741 -5.640 1.00 0.00 C ATOM 0 H LEU B 17 3.821 -5.119 -5.186 1.00 0.00 H new ATOM 0 HA LEU B 17 5.417 -7.589 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.812 -4.950 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.672 -5.004 -4.585 1.00 0.00 H new ATOM 0 HG LEU B 17 7.421 -7.412 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.126 -6.780 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.357 -6.692 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.328 -5.201 -7.888 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.598 -6.269 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.799 -4.691 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.876 -5.821 -4.558 1.00 0.00 H new ATOM 583 N VAL B 18 5.113 -5.879 -2.567 1.00 0.00 N ATOM 584 CA VAL B 18 5.297 -6.021 -1.094 1.00 0.00 C ATOM 585 C VAL B 18 4.876 -7.432 -0.674 1.00 0.00 C ATOM 586 O VAL B 18 5.556 -8.101 0.080 1.00 0.00 O ATOM 587 CB VAL B 18 4.450 -4.956 -0.370 1.00 0.00 C ATOM 588 CG1 VAL B 18 3.088 -5.525 0.050 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.200 -4.474 0.873 1.00 0.00 C ATOM 0 H VAL B 18 4.678 -5.007 -2.869 1.00 0.00 H new ATOM 0 HA VAL B 18 6.343 -5.872 -0.825 1.00 0.00 H new ATOM 0 HB VAL B 18 4.281 -4.126 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.512 -4.752 0.558 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.545 -5.860 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.238 -6.368 0.724 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.604 -3.720 1.388 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.376 -5.317 1.541 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.155 -4.041 0.576 1.00 0.00 H new ATOM 599 N CYS B 19 3.758 -7.885 -1.168 1.00 0.00 N ATOM 600 CA CYS B 19 3.279 -9.251 -0.815 1.00 0.00 C ATOM 601 C CYS B 19 3.976 -10.277 -1.710 1.00 0.00 C ATOM 602 O CYS B 19 4.837 -11.015 -1.272 1.00 0.00 O ATOM 603 CB CYS B 19 1.768 -9.328 -1.036 1.00 0.00 C ATOM 604 SG CYS B 19 0.923 -8.360 0.237 1.00 0.00 S ATOM 0 H CYS B 19 3.153 -7.366 -1.804 1.00 0.00 H new ATOM 0 HA CYS B 19 3.507 -9.462 0.230 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.514 -8.948 -2.026 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.437 -10.366 -0.999 1.00 0.00 H new HETATM 609 N DAL B 20 3.612 -10.327 -2.963 1.00 0.00 N HETATM 610 CA DAL B 20 4.255 -11.300 -3.890 1.00 0.00 C HETATM 611 CB DAL B 20 4.332 -10.692 -5.292 1.00 0.00 C HETATM 612 C DAL B 20 3.429 -12.588 -3.942 1.00 0.00 C HETATM 613 O DAL B 20 2.679 -12.817 -4.869 1.00 0.00 O HETATM 0 HB3 DAL B 20 3.326 -10.463 -5.645 1.00 0.00 H new HETATM 0 HB2 DAL B 20 4.922 -9.776 -5.260 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.802 -11.403 -5.971 1.00 0.00 H new HETATM 0 HA DAL B 20 5.259 -11.528 -3.532 1.00 0.00 H new HETATM 0 H DAL B 20 3.305 -9.418 -3.310 1.00 0.00 H new ATOM 619 N GLU B 21 3.565 -13.434 -2.958 1.00 0.00 N ATOM 620 CA GLU B 21 2.792 -14.708 -2.961 1.00 0.00 C ATOM 621 C GLU B 21 1.818 -14.723 -1.781 1.00 0.00 C ATOM 622 O GLU B 21 1.757 -15.673 -1.026 1.00 0.00 O ATOM 623 CB GLU B 21 3.757 -15.889 -2.841 1.00 0.00 C ATOM 624 CG GLU B 21 3.144 -17.119 -3.511 1.00 0.00 C ATOM 625 CD GLU B 21 3.639 -17.214 -4.957 1.00 0.00 C ATOM 626 OE1 GLU B 21 4.698 -17.783 -5.161 1.00 0.00 O ATOM 627 OE2 GLU B 21 2.950 -16.716 -5.831 1.00 0.00 O ATOM 0 H GLU B 21 4.177 -13.298 -2.153 1.00 0.00 H new ATOM 0 HA GLU B 21 2.231 -14.788 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.710 -15.643 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.963 -16.098 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.418 -18.020 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.056 -17.052 -3.492 1.00 0.00 H new ATOM 634 N ARG B 22 1.047 -13.682 -1.621 1.00 0.00 N ATOM 635 CA ARG B 22 0.073 -13.642 -0.495 1.00 0.00 C ATOM 636 C ARG B 22 -1.316 -13.313 -1.045 1.00 0.00 C ATOM 637 O ARG B 22 -2.204 -14.141 -1.052 1.00 0.00 O ATOM 638 CB ARG B 22 0.490 -12.567 0.512 1.00 0.00 C ATOM 639 CG ARG B 22 1.878 -12.894 1.063 1.00 0.00 C ATOM 640 CD ARG B 22 1.775 -14.064 2.043 1.00 0.00 C ATOM 641 NE ARG B 22 1.234 -13.576 3.343 1.00 0.00 N ATOM 642 CZ ARG B 22 0.353 -14.287 3.992 1.00 0.00 C ATOM 643 NH1 ARG B 22 -0.791 -14.575 3.435 1.00 0.00 N ATOM 644 NH2 ARG B 22 0.617 -14.709 5.198 1.00 0.00 N ATOM 0 H ARG B 22 1.050 -12.858 -2.222 1.00 0.00 H new ATOM 0 HA ARG B 22 0.053 -14.611 0.003 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.499 -11.588 0.032 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.233 -12.516 1.326 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.554 -13.148 0.247 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.297 -12.021 1.564 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.126 -14.839 1.634 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.756 -14.516 2.191 1.00 0.00 H new ATOM 0 HE ARG B 22 1.553 -12.686 3.726 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.997 -14.244 2.492 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.480 -15.131 3.942 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.512 -14.483 5.633 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.071 -15.265 5.706 1.00 0.00 H new HETATM 658 N DAL B 23 -1.508 -12.109 -1.511 1.00 0.00 N HETATM 659 CA DAL B 23 -2.838 -11.732 -2.067 1.00 0.00 C HETATM 660 CB DAL B 23 -2.707 -11.475 -3.569 1.00 0.00 C HETATM 661 C DAL B 23 -3.345 -10.464 -1.377 1.00 0.00 C HETATM 662 O DAL B 23 -4.424 -10.441 -0.816 1.00 0.00 O HETATM 0 HB3 DAL B 23 -1.999 -10.664 -3.739 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -2.349 -12.378 -4.063 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.679 -11.199 -3.977 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.544 -12.544 -1.895 1.00 0.00 H new ATOM 668 N PHE B 24 -2.585 -9.404 -1.421 1.00 0.00 N ATOM 669 CA PHE B 24 -3.040 -8.142 -0.774 1.00 0.00 C ATOM 670 C PHE B 24 -4.431 -7.790 -1.304 1.00 0.00 C ATOM 671 O PHE B 24 -5.034 -8.548 -2.037 1.00 0.00 O ATOM 672 CB PHE B 24 -2.053 -7.013 -1.104 1.00 0.00 C ATOM 673 CG PHE B 24 -2.282 -6.532 -2.518 1.00 0.00 C ATOM 674 CD1 PHE B 24 -1.606 -7.138 -3.585 1.00 0.00 C ATOM 675 CD2 PHE B 24 -3.181 -5.485 -2.762 1.00 0.00 C ATOM 676 CE1 PHE B 24 -1.828 -6.696 -4.895 1.00 0.00 C ATOM 677 CE2 PHE B 24 -3.401 -5.042 -4.071 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.726 -5.647 -5.139 1.00 0.00 C ATOM 0 H PHE B 24 -1.673 -9.357 -1.875 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.082 -8.270 0.308 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.182 -6.188 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.029 -7.368 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.914 -7.946 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.704 -5.020 -1.940 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.307 -7.163 -5.718 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.092 -4.233 -4.258 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.897 -5.306 -6.149 1.00 0.00 H new ATOM 688 N PHE B 25 -4.950 -6.648 -0.945 1.00 0.00 N ATOM 689 CA PHE B 25 -6.299 -6.265 -1.436 1.00 0.00 C ATOM 690 C PHE B 25 -6.480 -4.751 -1.329 1.00 0.00 C ATOM 691 O PHE B 25 -6.641 -4.212 -0.252 1.00 0.00 O ATOM 692 CB PHE B 25 -7.360 -6.960 -0.587 1.00 0.00 C ATOM 693 CG PHE B 25 -7.268 -6.466 0.836 1.00 0.00 C ATOM 694 CD1 PHE B 25 -6.234 -6.914 1.669 1.00 0.00 C ATOM 695 CD2 PHE B 25 -8.218 -5.559 1.326 1.00 0.00 C ATOM 696 CE1 PHE B 25 -6.149 -6.456 2.990 1.00 0.00 C ATOM 697 CE2 PHE B 25 -8.133 -5.101 2.648 1.00 0.00 C ATOM 698 CZ PHE B 25 -7.099 -5.550 3.480 1.00 0.00 C ATOM 0 H PHE B 25 -4.498 -5.967 -0.335 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.402 -6.567 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.353 -6.759 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.216 -8.040 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.502 -7.613 1.292 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.015 -5.213 0.685 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.351 -6.801 3.631 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.865 -4.402 3.025 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.034 -5.198 4.499 1.00 0.00 H new ATOM 708 N TYR B 26 -6.466 -4.057 -2.436 1.00 0.00 N ATOM 709 CA TYR B 26 -6.648 -2.582 -2.381 1.00 0.00 C ATOM 710 C TYR B 26 -8.136 -2.268 -2.217 1.00 0.00 C ATOM 711 O TYR B 26 -8.972 -2.789 -2.928 1.00 0.00 O ATOM 712 CB TYR B 26 -6.134 -1.945 -3.670 1.00 0.00 C ATOM 713 CG TYR B 26 -5.738 -0.515 -3.390 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.746 -0.235 -2.442 1.00 0.00 C ATOM 715 CD2 TYR B 26 -6.370 0.532 -4.074 1.00 0.00 C ATOM 716 CE1 TYR B 26 -4.382 1.093 -2.178 1.00 0.00 C ATOM 717 CE2 TYR B 26 -6.007 1.859 -3.810 1.00 0.00 C ATOM 718 CZ TYR B 26 -5.013 2.140 -2.862 1.00 0.00 C ATOM 719 OH TYR B 26 -4.654 3.448 -2.603 1.00 0.00 O ATOM 0 H TYR B 26 -6.337 -4.447 -3.370 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.088 -2.179 -1.537 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.280 -2.504 -4.051 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.905 -1.978 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.261 -1.043 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.136 0.316 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.616 1.309 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.493 2.666 -4.337 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.806 3.463 -2.113 1.00 0.00 H new ATOM 729 N THR B 27 -8.474 -1.426 -1.281 1.00 0.00 N ATOM 730 CA THR B 27 -9.901 -1.085 -1.066 1.00 0.00 C ATOM 731 C THR B 27 -10.314 0.031 -2.025 1.00 0.00 C ATOM 732 O THR B 27 -11.004 -0.196 -2.998 1.00 0.00 O ATOM 733 CB THR B 27 -10.076 -0.619 0.376 1.00 0.00 C ATOM 734 OG1 THR B 27 -8.958 0.171 0.754 1.00 0.00 O ATOM 735 CG2 THR B 27 -10.176 -1.836 1.294 1.00 0.00 C ATOM 0 H THR B 27 -7.818 -0.959 -0.655 1.00 0.00 H new ATOM 0 HA THR B 27 -10.526 -1.958 -1.253 1.00 0.00 H new ATOM 0 HB THR B 27 -10.986 -0.025 0.461 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.069 0.473 1.680 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.301 -1.505 2.325 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.033 -2.443 1.001 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.266 -2.430 1.212 1.00 0.00 H new ATOM 743 N LYS B 28 -9.894 1.238 -1.759 1.00 0.00 N ATOM 744 CA LYS B 28 -10.262 2.366 -2.656 1.00 0.00 C ATOM 745 C LYS B 28 -11.786 2.470 -2.753 1.00 0.00 C ATOM 746 O LYS B 28 -12.365 2.151 -3.771 1.00 0.00 O ATOM 747 CB LYS B 28 -9.679 2.116 -4.050 1.00 0.00 C ATOM 748 CG LYS B 28 -10.195 3.185 -5.017 1.00 0.00 C ATOM 749 CD LYS B 28 -11.120 2.535 -6.048 1.00 0.00 C ATOM 750 CE LYS B 28 -10.690 2.954 -7.455 1.00 0.00 C ATOM 751 NZ LYS B 28 -11.655 3.953 -7.992 1.00 0.00 N ATOM 0 H LYS B 28 -9.313 1.490 -0.960 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.862 3.296 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -8.590 2.141 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.962 1.124 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.731 3.959 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.358 3.672 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.083 1.450 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.152 2.835 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.687 3.379 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.650 2.083 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.148 4.645 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.372 3.468 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.121 4.445 -7.203 1.00 0.00 H new ATOM 765 N PRO B 29 -12.390 2.920 -1.682 1.00 0.00 N ATOM 766 CA PRO B 29 -13.852 3.086 -1.606 1.00 0.00 C ATOM 767 C PRO B 29 -14.278 4.355 -2.348 1.00 0.00 C ATOM 768 O PRO B 29 -15.452 4.638 -2.495 1.00 0.00 O ATOM 769 CB PRO B 29 -14.122 3.208 -0.104 1.00 0.00 C ATOM 770 CG PRO B 29 -12.794 3.669 0.542 1.00 0.00 C ATOM 771 CD PRO B 29 -11.673 3.305 -0.450 1.00 0.00 C ATOM 0 HA PRO B 29 -14.406 2.266 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.918 3.926 0.090 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.445 2.253 0.311 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.808 4.742 0.734 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.638 3.176 1.501 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.006 4.149 -0.625 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.059 2.486 -0.074 1.00 0.00 H new ATOM 779 N THR B 30 -13.333 5.121 -2.818 1.00 0.00 N ATOM 780 CA THR B 30 -13.676 6.372 -3.553 1.00 0.00 C ATOM 781 C THR B 30 -13.963 6.039 -5.017 1.00 0.00 C ATOM 782 O THR B 30 -14.975 6.499 -5.521 1.00 0.00 O ATOM 783 CB THR B 30 -12.498 7.345 -3.470 1.00 0.00 C ATOM 784 OG1 THR B 30 -12.334 7.775 -2.125 1.00 0.00 O ATOM 785 CG2 THR B 30 -12.765 8.556 -4.365 1.00 0.00 C ATOM 786 OXT THR B 30 -13.167 5.330 -5.610 1.00 0.00 O ATOM 0 H THR B 30 -12.335 4.934 -2.725 1.00 0.00 H new ATOM 0 HA THR B 30 -14.559 6.830 -3.107 1.00 0.00 H new ATOM 0 HB THR B 30 -11.590 6.843 -3.806 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.579 8.397 -2.070 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.924 9.247 -4.303 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.888 8.226 -5.396 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.673 9.060 -4.034 1.00 0.00 H new TER 794 THR B 30