USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -3.24 K(o=-3.2,f=-12!) USER MOD Single : A 8 THR OG1 : rot -65:sc= 0.952 USER MOD Single : A 9 SER OG : rot 180:sc= -0.203 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 19 TYR OH : rot 130:sc=-0.000239 USER MOD Single : A 21 ASN : amide:sc= -0.0282 X(o=-0.028,f=-0.26) USER MOD Single : B 1 PHE N :NH3+ -172:sc= 1.03 (180deg=0.704) USER MOD Single : B 3 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.1) USER MOD Single : B 4 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.01) USER MOD Single : B 5 HIS : no HE2:sc= -6.18! C(o=-6.2!,f=-6!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0067 USER MOD Single : B 10 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.23) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -15:sc= -6.74! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0848 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 33:sc= 0.538 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.608 17.340 0.879 1.00 0.00 N ATOM 2 CA GLY A 1 12.392 15.895 1.326 1.00 0.00 C ATOM 3 C GLY A 1 12.141 14.840 0.304 1.00 0.00 C ATOM 4 O GLY A 1 11.345 13.945 0.507 1.00 0.00 O ATOM 0 H1 GLY A 1 12.768 17.941 1.713 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.436 17.389 0.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.766 17.675 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.271 15.595 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.548 15.889 2.015 1.00 0.00 H new ATOM 10 N ILE A 2 12.814 14.916 -0.815 1.00 0.00 N ATOM 11 CA ILE A 2 12.620 13.897 -1.891 1.00 0.00 C ATOM 12 C ILE A 2 11.133 13.567 -2.042 1.00 0.00 C ATOM 13 O ILE A 2 10.276 14.239 -1.501 1.00 0.00 O ATOM 14 CB ILE A 2 13.404 12.619 -1.559 1.00 0.00 C ATOM 15 CG1 ILE A 2 12.770 11.904 -0.347 1.00 0.00 C ATOM 16 CG2 ILE A 2 14.867 12.972 -1.268 1.00 0.00 C ATOM 17 CD1 ILE A 2 13.366 12.423 0.969 1.00 0.00 C ATOM 0 H ILE A 2 13.494 15.645 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 2 12.991 14.307 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 2 13.367 11.944 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.692 12.062 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.935 10.829 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.421 12.063 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.307 13.449 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.915 13.656 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.903 11.904 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 2 14.441 12.241 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.178 13.493 1.056 1.00 0.00 H new ATOM 29 N VAL A 3 10.821 12.544 -2.785 1.00 0.00 N ATOM 30 CA VAL A 3 9.411 12.164 -2.987 1.00 0.00 C ATOM 31 C VAL A 3 8.868 11.538 -1.693 1.00 0.00 C ATOM 32 O VAL A 3 9.618 11.154 -0.818 1.00 0.00 O ATOM 33 CB VAL A 3 9.379 11.177 -4.164 1.00 0.00 C ATOM 34 CG1 VAL A 3 8.688 9.870 -3.780 1.00 0.00 C ATOM 35 CG2 VAL A 3 8.643 11.823 -5.331 1.00 0.00 C ATOM 0 H VAL A 3 11.498 11.951 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 3 8.780 13.022 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 3 10.405 10.941 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.683 9.196 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.225 9.404 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.662 10.077 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.615 11.130 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.625 12.068 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.162 12.734 -5.629 1.00 0.00 H new ATOM 45 N GLU A 4 7.574 11.436 -1.568 1.00 0.00 N ATOM 46 CA GLU A 4 6.993 10.838 -0.334 1.00 0.00 C ATOM 47 C GLU A 4 5.474 10.736 -0.480 1.00 0.00 C ATOM 48 O GLU A 4 4.728 11.164 0.378 1.00 0.00 O ATOM 49 CB GLU A 4 7.329 11.726 0.865 1.00 0.00 C ATOM 50 CG GLU A 4 6.816 13.145 0.608 1.00 0.00 C ATOM 51 CD GLU A 4 6.206 13.708 1.892 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.677 13.344 2.957 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.280 14.495 1.789 1.00 0.00 O ATOM 0 H GLU A 4 6.895 11.740 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 4 7.410 9.842 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.874 11.322 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.406 11.741 1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.633 13.783 0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.071 13.135 -0.187 1.00 0.00 H new ATOM 60 N GLN A 5 5.010 10.166 -1.559 1.00 0.00 N ATOM 61 CA GLN A 5 3.547 10.029 -1.764 1.00 0.00 C ATOM 62 C GLN A 5 3.279 8.994 -2.859 1.00 0.00 C ATOM 63 O GLN A 5 3.319 9.299 -4.035 1.00 0.00 O ATOM 64 CB GLN A 5 2.957 11.378 -2.186 1.00 0.00 C ATOM 65 CG GLN A 5 2.882 12.312 -0.976 1.00 0.00 C ATOM 66 CD GLN A 5 1.940 13.477 -1.287 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.737 13.310 -1.314 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.440 14.658 -1.524 1.00 0.00 N ATOM 0 H GLN A 5 5.588 9.788 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 5 3.082 9.705 -0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.573 11.827 -2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.962 11.234 -2.608 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.525 11.765 -0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.875 12.689 -0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.450 14.798 -1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.821 15.442 -1.732 1.00 0.00 H new ATOM 77 N CYS A 6 3.009 7.773 -2.487 1.00 0.00 N ATOM 78 CA CYS A 6 2.742 6.728 -3.506 1.00 0.00 C ATOM 79 C CYS A 6 1.537 7.136 -4.346 1.00 0.00 C ATOM 80 O CYS A 6 1.662 7.838 -5.328 1.00 0.00 O ATOM 81 CB CYS A 6 2.467 5.394 -2.813 1.00 0.00 C ATOM 82 SG CYS A 6 4.028 4.723 -2.189 1.00 0.00 S ATOM 0 H CYS A 6 2.962 7.457 -1.518 1.00 0.00 H new ATOM 0 HA CYS A 6 3.612 6.619 -4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.762 5.534 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.009 4.694 -3.512 1.00 0.00 H new ATOM 87 N CYS A 7 0.368 6.711 -3.963 1.00 0.00 N ATOM 88 CA CYS A 7 -0.844 7.091 -4.740 1.00 0.00 C ATOM 89 C CYS A 7 -0.925 8.615 -4.793 1.00 0.00 C ATOM 90 O CYS A 7 -1.219 9.200 -5.817 1.00 0.00 O ATOM 91 CB CYS A 7 -2.092 6.535 -4.054 1.00 0.00 C ATOM 92 SG CYS A 7 -2.089 4.731 -4.177 1.00 0.00 S ATOM 0 H CYS A 7 0.198 6.120 -3.150 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.784 6.682 -5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.112 6.839 -3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.989 6.941 -4.521 1.00 0.00 H new ATOM 97 N THR A 8 -0.653 9.258 -3.691 1.00 0.00 N ATOM 98 CA THR A 8 -0.695 10.745 -3.653 1.00 0.00 C ATOM 99 C THR A 8 -0.750 11.218 -2.197 1.00 0.00 C ATOM 100 O THR A 8 -1.344 12.235 -1.896 1.00 0.00 O ATOM 101 CB THR A 8 -1.934 11.244 -4.401 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.199 12.590 -4.032 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.132 10.368 -4.043 1.00 0.00 C ATOM 0 H THR A 8 -0.402 8.812 -2.809 1.00 0.00 H new ATOM 0 HA THR A 8 0.200 11.144 -4.131 1.00 0.00 H new ATOM 0 HB THR A 8 -1.757 11.192 -5.475 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.430 12.629 -3.080 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.014 10.723 -4.575 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.927 9.336 -4.329 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.312 10.418 -2.969 1.00 0.00 H new ATOM 111 N SER A 9 -0.133 10.491 -1.293 1.00 0.00 N ATOM 112 CA SER A 9 -0.147 10.895 0.142 1.00 0.00 C ATOM 113 C SER A 9 0.109 9.672 1.029 1.00 0.00 C ATOM 114 O SER A 9 1.221 9.406 1.437 1.00 0.00 O ATOM 115 CB SER A 9 -1.512 11.483 0.499 1.00 0.00 C ATOM 116 OG SER A 9 -1.693 11.433 1.908 1.00 0.00 O ATOM 0 H SER A 9 0.380 9.633 -1.493 1.00 0.00 H new ATOM 0 HA SER A 9 0.632 11.639 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.580 12.513 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.303 10.924 -0.001 1.00 0.00 H new ATOM 0 HG SER A 9 -2.567 11.811 2.139 1.00 0.00 H new ATOM 122 N ILE A 10 -0.926 8.940 1.343 1.00 0.00 N ATOM 123 CA ILE A 10 -0.775 7.747 2.218 1.00 0.00 C ATOM 124 C ILE A 10 0.189 6.730 1.599 1.00 0.00 C ATOM 125 O ILE A 10 -0.084 6.162 0.563 1.00 0.00 O ATOM 126 CB ILE A 10 -2.142 7.091 2.414 1.00 0.00 C ATOM 127 CG1 ILE A 10 -3.081 8.074 3.116 1.00 0.00 C ATOM 128 CG2 ILE A 10 -1.989 5.834 3.271 1.00 0.00 C ATOM 129 CD1 ILE A 10 -4.371 7.356 3.512 1.00 0.00 C ATOM 0 H ILE A 10 -1.878 9.122 1.026 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.369 8.070 3.177 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.556 6.819 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.596 8.487 4.001 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.307 8.912 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.964 5.367 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.319 5.133 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.574 6.104 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.039 8.057 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.858 6.964 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.137 6.533 4.188 1.00 0.00 H new ATOM 141 N CYS A 11 1.298 6.490 2.257 1.00 0.00 N ATOM 142 CA CYS A 11 2.313 5.495 1.772 1.00 0.00 C ATOM 143 C CYS A 11 3.702 5.943 2.225 1.00 0.00 C ATOM 144 O CYS A 11 4.531 6.327 1.425 1.00 0.00 O ATOM 145 CB CYS A 11 2.315 5.374 0.244 1.00 0.00 C ATOM 146 SG CYS A 11 3.668 4.279 -0.250 1.00 0.00 S ATOM 0 H CYS A 11 1.550 6.952 3.131 1.00 0.00 H new ATOM 0 HA CYS A 11 2.053 4.523 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.362 4.977 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.438 6.356 -0.213 1.00 0.00 H new ATOM 151 N SER A 12 3.967 5.900 3.503 1.00 0.00 N ATOM 152 CA SER A 12 5.305 6.328 3.996 1.00 0.00 C ATOM 153 C SER A 12 6.147 5.099 4.332 1.00 0.00 C ATOM 154 O SER A 12 6.795 5.038 5.358 1.00 0.00 O ATOM 155 CB SER A 12 5.140 7.193 5.245 1.00 0.00 C ATOM 156 OG SER A 12 3.782 7.152 5.667 1.00 0.00 O ATOM 0 H SER A 12 3.316 5.588 4.224 1.00 0.00 H new ATOM 0 HA SER A 12 5.806 6.907 3.220 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.792 6.832 6.041 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.436 8.220 5.032 1.00 0.00 H new ATOM 0 HG SER A 12 3.672 7.704 6.469 1.00 0.00 H new ATOM 162 N LEU A 13 6.149 4.125 3.468 1.00 0.00 N ATOM 163 CA LEU A 13 6.956 2.898 3.725 1.00 0.00 C ATOM 164 C LEU A 13 6.484 2.223 5.015 1.00 0.00 C ATOM 165 O LEU A 13 7.270 1.939 5.896 1.00 0.00 O ATOM 166 CB LEU A 13 8.429 3.280 3.868 1.00 0.00 C ATOM 167 CG LEU A 13 9.161 2.997 2.557 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.740 4.023 1.504 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.671 3.093 2.790 1.00 0.00 C ATOM 0 H LEU A 13 5.626 4.124 2.592 1.00 0.00 H new ATOM 0 HA LEU A 13 6.831 2.208 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.518 4.335 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.885 2.714 4.680 1.00 0.00 H new ATOM 0 HG LEU A 13 8.908 1.996 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.263 3.820 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.664 3.956 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.992 5.025 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.197 2.892 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.922 4.094 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.971 2.361 3.540 1.00 0.00 H new ATOM 181 N TYR A 14 5.213 1.953 5.132 1.00 0.00 N ATOM 182 CA TYR A 14 4.706 1.292 6.358 1.00 0.00 C ATOM 183 C TYR A 14 3.488 0.433 6.014 1.00 0.00 C ATOM 184 O TYR A 14 3.544 -0.780 6.047 1.00 0.00 O ATOM 185 CB TYR A 14 4.318 2.350 7.394 1.00 0.00 C ATOM 186 CG TYR A 14 5.462 2.558 8.357 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.585 3.294 7.958 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.403 2.014 9.647 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.649 3.487 8.847 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.469 2.207 10.538 1.00 0.00 C ATOM 191 CZ TYR A 14 7.592 2.944 10.138 1.00 0.00 C ATOM 192 OH TYR A 14 8.641 3.134 11.014 1.00 0.00 O ATOM 0 H TYR A 14 4.506 2.164 4.428 1.00 0.00 H new ATOM 0 HA TYR A 14 5.488 0.656 6.773 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.073 3.288 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.426 2.034 7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.630 3.713 6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.537 1.446 9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.514 4.055 8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.424 1.788 11.532 1.00 0.00 H new ATOM 0 HH TYR A 14 8.440 2.693 11.866 1.00 0.00 H new ATOM 202 N GLN A 15 2.386 1.048 5.683 1.00 0.00 N ATOM 203 CA GLN A 15 1.173 0.256 5.338 1.00 0.00 C ATOM 204 C GLN A 15 1.423 -0.518 4.053 1.00 0.00 C ATOM 205 O GLN A 15 0.945 -1.622 3.882 1.00 0.00 O ATOM 206 CB GLN A 15 -0.025 1.193 5.154 1.00 0.00 C ATOM 207 CG GLN A 15 -0.882 1.180 6.421 1.00 0.00 C ATOM 208 CD GLN A 15 -2.357 1.329 6.043 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.973 2.335 6.336 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.954 0.364 5.397 1.00 0.00 N ATOM 0 H GLN A 15 2.274 2.061 5.637 1.00 0.00 H new ATOM 0 HA GLN A 15 0.956 -0.443 6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.320 2.206 4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.619 0.877 4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.728 0.249 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.582 1.992 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.438 -0.481 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.937 0.455 5.139 1.00 0.00 H new ATOM 219 N LEU A 16 2.182 0.032 3.154 1.00 0.00 N ATOM 220 CA LEU A 16 2.461 -0.710 1.901 1.00 0.00 C ATOM 221 C LEU A 16 3.464 -1.819 2.212 1.00 0.00 C ATOM 222 O LEU A 16 3.152 -2.718 2.966 1.00 0.00 O ATOM 223 CB LEU A 16 2.977 0.227 0.821 1.00 0.00 C ATOM 224 CG LEU A 16 1.783 0.655 -0.025 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.394 2.088 0.313 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.148 0.551 -1.501 1.00 0.00 C ATOM 0 H LEU A 16 2.617 0.952 3.230 1.00 0.00 H new ATOM 0 HA LEU A 16 1.543 -1.154 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.462 1.096 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.724 -0.273 0.204 1.00 0.00 H new ATOM 0 HG LEU A 16 0.936 0.002 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.540 2.386 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.128 2.154 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.235 2.751 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.296 0.856 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.997 1.201 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.413 -0.479 -1.739 1.00 0.00 H new ATOM 238 N GLU A 17 4.658 -1.795 1.648 1.00 0.00 N ATOM 239 CA GLU A 17 5.631 -2.895 1.934 1.00 0.00 C ATOM 240 C GLU A 17 4.851 -4.205 1.930 1.00 0.00 C ATOM 241 O GLU A 17 5.168 -5.149 2.627 1.00 0.00 O ATOM 242 CB GLU A 17 6.272 -2.678 3.306 1.00 0.00 C ATOM 243 CG GLU A 17 7.255 -1.507 3.231 1.00 0.00 C ATOM 244 CD GLU A 17 8.606 -1.938 3.803 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.870 -3.128 3.816 1.00 0.00 O ATOM 246 OE2 GLU A 17 9.356 -1.068 4.217 1.00 0.00 O ATOM 0 H GLU A 17 4.991 -1.070 1.012 1.00 0.00 H new ATOM 0 HA GLU A 17 6.423 -2.914 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.503 -2.474 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.791 -3.582 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.373 -1.183 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.866 -0.656 3.790 1.00 0.00 H new ATOM 253 N ASN A 18 3.800 -4.231 1.160 1.00 0.00 N ATOM 254 CA ASN A 18 2.929 -5.421 1.096 1.00 0.00 C ATOM 255 C ASN A 18 1.641 -5.028 0.380 1.00 0.00 C ATOM 256 O ASN A 18 1.330 -5.512 -0.689 1.00 0.00 O ATOM 257 CB ASN A 18 2.600 -5.882 2.520 1.00 0.00 C ATOM 258 CG ASN A 18 2.970 -7.357 2.681 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.502 -8.199 1.940 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.799 -7.709 3.626 1.00 0.00 N ATOM 0 H ASN A 18 3.508 -3.458 0.562 1.00 0.00 H new ATOM 0 HA ASN A 18 3.427 -6.231 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.147 -5.278 3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.539 -5.739 2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.053 -8.690 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.192 -7.003 4.248 1.00 0.00 H new ATOM 267 N TYR A 19 0.899 -4.139 0.972 1.00 0.00 N ATOM 268 CA TYR A 19 -0.372 -3.681 0.349 1.00 0.00 C ATOM 269 C TYR A 19 -1.155 -4.901 -0.126 1.00 0.00 C ATOM 270 O TYR A 19 -1.950 -4.831 -1.042 1.00 0.00 O ATOM 271 CB TYR A 19 -0.057 -2.763 -0.836 1.00 0.00 C ATOM 272 CG TYR A 19 -1.241 -1.870 -1.114 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.518 -0.793 -0.262 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.060 -2.114 -2.224 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.615 0.040 -0.519 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.157 -1.281 -2.481 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.435 -0.205 -1.629 1.00 0.00 C ATOM 278 OH TYR A 19 -4.516 0.616 -1.882 1.00 0.00 O ATOM 0 H TYR A 19 1.120 -3.706 1.869 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.968 -3.127 1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.823 -2.159 -0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.177 -3.359 -1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.886 -0.605 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.846 -2.944 -2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.829 0.870 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.789 -1.469 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.494 0.907 -2.818 1.00 0.00 H new ATOM 288 N CYS A 20 -0.931 -6.023 0.499 1.00 0.00 N ATOM 289 CA CYS A 20 -1.655 -7.262 0.101 1.00 0.00 C ATOM 290 C CYS A 20 -3.034 -7.277 0.764 1.00 0.00 C ATOM 291 O CYS A 20 -3.889 -8.069 0.422 1.00 0.00 O ATOM 292 CB CYS A 20 -0.857 -8.487 0.552 1.00 0.00 C ATOM 293 SG CYS A 20 0.307 -8.962 -0.749 1.00 0.00 S ATOM 0 H CYS A 20 -0.275 -6.135 1.272 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.771 -7.285 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.318 -8.264 1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.533 -9.314 0.770 1.00 0.00 H new ATOM 298 N ASN A 21 -3.255 -6.409 1.713 1.00 0.00 N ATOM 299 CA ASN A 21 -4.576 -6.374 2.398 1.00 0.00 C ATOM 300 C ASN A 21 -5.502 -5.394 1.672 1.00 0.00 C ATOM 301 O ASN A 21 -6.721 -5.435 1.841 1.00 0.00 O ATOM 302 CB ASN A 21 -4.388 -5.920 3.847 1.00 0.00 C ATOM 303 CG ASN A 21 -3.999 -7.119 4.712 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.688 -8.120 4.729 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.916 -7.062 5.438 1.00 0.00 N ATOM 0 H ASN A 21 -2.577 -5.722 2.043 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.018 -7.370 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.615 -5.153 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.309 -5.472 4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.649 -7.857 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.337 -6.223 5.425 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 14.090 0.706 -9.863 1.00 0.00 N ATOM 314 CA PHE B 1 12.975 1.267 -10.677 1.00 0.00 C ATOM 315 C PHE B 1 11.831 1.691 -9.753 1.00 0.00 C ATOM 316 O PHE B 1 10.705 1.262 -9.908 1.00 0.00 O ATOM 317 CB PHE B 1 12.473 0.202 -11.653 1.00 0.00 C ATOM 318 CG PHE B 1 11.956 -0.986 -10.878 1.00 0.00 C ATOM 319 CD1 PHE B 1 12.857 -1.872 -10.272 1.00 0.00 C ATOM 320 CD2 PHE B 1 10.576 -1.203 -10.764 1.00 0.00 C ATOM 321 CE1 PHE B 1 12.377 -2.975 -9.553 1.00 0.00 C ATOM 322 CE2 PHE B 1 10.096 -2.305 -10.045 1.00 0.00 C ATOM 323 CZ PHE B 1 10.997 -3.192 -9.439 1.00 0.00 C ATOM 0 H1 PHE B 1 14.917 0.544 -10.472 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.341 1.377 -9.109 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.791 -0.195 -9.439 1.00 0.00 H new ATOM 0 HA PHE B 1 13.332 2.133 -11.234 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.682 0.612 -12.281 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.280 -0.107 -12.318 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.920 -1.705 -10.359 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.882 -0.520 -11.231 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.071 -3.658 -9.086 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.032 -2.471 -9.957 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.628 -4.042 -8.885 1.00 0.00 H new ATOM 333 N VAL B 2 12.109 2.531 -8.795 1.00 0.00 N ATOM 334 CA VAL B 2 11.036 2.980 -7.863 1.00 0.00 C ATOM 335 C VAL B 2 10.676 4.436 -8.163 1.00 0.00 C ATOM 336 O VAL B 2 11.231 5.353 -7.591 1.00 0.00 O ATOM 337 CB VAL B 2 11.529 2.864 -6.420 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.366 3.121 -5.462 1.00 0.00 C ATOM 339 CG2 VAL B 2 12.083 1.458 -6.182 1.00 0.00 C ATOM 0 H VAL B 2 13.032 2.926 -8.617 1.00 0.00 H new ATOM 0 HA VAL B 2 10.155 2.352 -7.996 1.00 0.00 H new ATOM 0 HB VAL B 2 12.314 3.599 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.717 3.038 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.970 4.122 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.581 2.386 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.435 1.375 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.298 0.723 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.912 1.273 -6.865 1.00 0.00 H new ATOM 349 N ASN B 3 9.749 4.656 -9.053 1.00 0.00 N ATOM 350 CA ASN B 3 9.354 6.053 -9.387 1.00 0.00 C ATOM 351 C ASN B 3 8.004 6.041 -10.108 1.00 0.00 C ATOM 352 O ASN B 3 7.646 5.080 -10.760 1.00 0.00 O ATOM 353 CB ASN B 3 10.412 6.681 -10.296 1.00 0.00 C ATOM 354 CG ASN B 3 10.643 5.781 -11.510 1.00 0.00 C ATOM 355 OD1 ASN B 3 11.445 4.869 -11.462 1.00 0.00 O ATOM 356 ND2 ASN B 3 9.972 5.999 -12.608 1.00 0.00 N ATOM 0 H ASN B 3 9.248 3.929 -9.564 1.00 0.00 H new ATOM 0 HA ASN B 3 9.273 6.636 -8.470 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.087 7.670 -10.620 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.344 6.815 -9.747 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.121 5.405 -13.423 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.298 6.764 -12.651 1.00 0.00 H new ATOM 363 N GLN B 4 7.251 7.102 -9.996 1.00 0.00 N ATOM 364 CA GLN B 4 5.926 7.149 -10.675 1.00 0.00 C ATOM 365 C GLN B 4 5.036 6.026 -10.137 1.00 0.00 C ATOM 366 O GLN B 4 4.715 5.087 -10.838 1.00 0.00 O ATOM 367 CB GLN B 4 6.119 6.969 -12.182 1.00 0.00 C ATOM 368 CG GLN B 4 6.607 8.284 -12.795 1.00 0.00 C ATOM 369 CD GLN B 4 5.509 8.874 -13.681 1.00 0.00 C ATOM 370 OE1 GLN B 4 5.089 9.997 -13.481 1.00 0.00 O ATOM 371 NE2 GLN B 4 5.023 8.160 -14.658 1.00 0.00 N ATOM 0 H GLN B 4 7.497 7.937 -9.464 1.00 0.00 H new ATOM 0 HA GLN B 4 5.453 8.112 -10.481 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.841 6.176 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.181 6.665 -12.646 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.871 8.989 -12.007 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.509 8.111 -13.382 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.376 7.218 -14.826 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.290 8.544 -15.255 1.00 0.00 H new ATOM 380 N HIS B 5 4.635 6.115 -8.900 1.00 0.00 N ATOM 381 CA HIS B 5 3.767 5.054 -8.318 1.00 0.00 C ATOM 382 C HIS B 5 2.500 5.691 -7.742 1.00 0.00 C ATOM 383 O HIS B 5 2.371 5.868 -6.547 1.00 0.00 O ATOM 384 CB HIS B 5 4.525 4.326 -7.207 1.00 0.00 C ATOM 385 CG HIS B 5 5.133 3.064 -7.759 1.00 0.00 C ATOM 386 ND1 HIS B 5 6.138 2.398 -7.091 1.00 0.00 N ATOM 387 CD2 HIS B 5 4.869 2.367 -8.905 1.00 0.00 C ATOM 388 CE1 HIS B 5 6.454 1.331 -7.838 1.00 0.00 C ATOM 389 NE2 HIS B 5 5.703 1.270 -8.958 1.00 0.00 N ATOM 0 H HIS B 5 4.871 6.878 -8.266 1.00 0.00 H new ATOM 0 HA HIS B 5 3.493 4.341 -9.096 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.304 4.971 -6.801 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.849 4.088 -6.386 1.00 0.00 H new ATOM 0 HD1 HIS B 5 6.559 2.665 -6.201 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.130 2.632 -9.646 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.214 0.610 -7.577 1.00 0.00 H new ATOM 398 N LEU B 6 1.566 6.039 -8.584 1.00 0.00 N ATOM 399 CA LEU B 6 0.310 6.666 -8.087 1.00 0.00 C ATOM 400 C LEU B 6 -0.820 5.635 -8.108 1.00 0.00 C ATOM 401 O LEU B 6 -0.677 4.552 -8.641 1.00 0.00 O ATOM 402 CB LEU B 6 -0.063 7.848 -8.987 1.00 0.00 C ATOM 403 CG LEU B 6 1.048 8.901 -8.941 1.00 0.00 C ATOM 404 CD1 LEU B 6 1.400 9.210 -7.486 1.00 0.00 C ATOM 405 CD2 LEU B 6 2.288 8.366 -9.661 1.00 0.00 C ATOM 0 H LEU B 6 1.619 5.916 -9.595 1.00 0.00 H new ATOM 0 HA LEU B 6 0.461 7.019 -7.067 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.211 7.506 -10.011 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -1.006 8.285 -8.658 1.00 0.00 H new ATOM 0 HG LEU B 6 0.705 9.811 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.191 9.959 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.518 9.591 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.743 8.300 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.079 9.115 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.630 7.456 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.039 8.146 -10.699 1.00 0.00 H new ATOM 417 N CYS B 7 -1.944 5.964 -7.534 1.00 0.00 N ATOM 418 CA CYS B 7 -3.087 5.008 -7.518 1.00 0.00 C ATOM 419 C CYS B 7 -3.821 5.074 -8.861 1.00 0.00 C ATOM 420 O CYS B 7 -4.355 6.099 -9.233 1.00 0.00 O ATOM 421 CB CYS B 7 -4.056 5.398 -6.399 1.00 0.00 C ATOM 422 SG CYS B 7 -3.875 4.261 -5.001 1.00 0.00 S ATOM 0 H CYS B 7 -2.121 6.857 -7.074 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.716 3.997 -7.350 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.859 6.420 -6.075 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.081 5.373 -6.769 1.00 0.00 H new ATOM 427 N GLY B 8 -3.854 3.993 -9.591 1.00 0.00 N ATOM 428 CA GLY B 8 -4.561 4.007 -10.905 1.00 0.00 C ATOM 429 C GLY B 8 -3.735 3.247 -11.944 1.00 0.00 C ATOM 430 O GLY B 8 -3.209 3.823 -12.876 1.00 0.00 O ATOM 0 H GLY B 8 -3.424 3.104 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.545 3.550 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.719 5.034 -11.233 1.00 0.00 H new ATOM 434 N SER B 9 -3.622 1.956 -11.793 1.00 0.00 N ATOM 435 CA SER B 9 -2.838 1.155 -12.772 1.00 0.00 C ATOM 436 C SER B 9 -1.352 1.515 -12.669 1.00 0.00 C ATOM 437 O SER B 9 -0.541 1.058 -13.448 1.00 0.00 O ATOM 438 CB SER B 9 -3.340 1.455 -14.180 1.00 0.00 C ATOM 439 OG SER B 9 -4.761 1.488 -14.173 1.00 0.00 O ATOM 0 H SER B 9 -4.040 1.421 -11.032 1.00 0.00 H new ATOM 0 HA SER B 9 -2.962 0.094 -12.555 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.944 2.410 -14.524 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.986 0.694 -14.875 1.00 0.00 H new ATOM 0 HG SER B 9 -5.088 1.682 -15.076 1.00 0.00 H new ATOM 445 N HIS B 10 -0.987 2.325 -11.711 1.00 0.00 N ATOM 446 CA HIS B 10 0.448 2.700 -11.564 1.00 0.00 C ATOM 447 C HIS B 10 1.076 1.829 -10.479 1.00 0.00 C ATOM 448 O HIS B 10 2.226 1.446 -10.562 1.00 0.00 O ATOM 449 CB HIS B 10 0.559 4.174 -11.168 1.00 0.00 C ATOM 450 CG HIS B 10 1.344 4.912 -12.218 1.00 0.00 C ATOM 451 ND1 HIS B 10 1.054 6.218 -12.547 1.00 0.00 N ATOM 452 CD2 HIS B 10 2.395 4.515 -12.999 1.00 0.00 C ATOM 453 CE1 HIS B 10 1.923 6.575 -13.505 1.00 0.00 C ATOM 454 NE2 HIS B 10 2.763 5.565 -13.813 1.00 0.00 N ATOM 0 H HIS B 10 -1.618 2.741 -11.027 1.00 0.00 H new ATOM 0 HA HIS B 10 0.968 2.547 -12.510 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -0.434 4.611 -11.066 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.049 4.266 -10.199 1.00 0.00 H new ATOM 0 HD2 HIS B 10 2.860 3.540 -12.981 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.947 7.549 -13.971 1.00 0.00 H new ATOM 0 HE2 HIS B 10 3.513 5.576 -14.504 1.00 0.00 H new ATOM 463 N LEU B 11 0.324 1.504 -9.463 1.00 0.00 N ATOM 464 CA LEU B 11 0.871 0.648 -8.379 1.00 0.00 C ATOM 465 C LEU B 11 0.793 -0.815 -8.813 1.00 0.00 C ATOM 466 O LEU B 11 1.680 -1.601 -8.547 1.00 0.00 O ATOM 467 CB LEU B 11 0.045 0.843 -7.105 1.00 0.00 C ATOM 468 CG LEU B 11 -0.072 2.333 -6.775 1.00 0.00 C ATOM 469 CD1 LEU B 11 -0.511 2.488 -5.319 1.00 0.00 C ATOM 470 CD2 LEU B 11 1.281 3.020 -6.969 1.00 0.00 C ATOM 0 H LEU B 11 -0.646 1.796 -9.339 1.00 0.00 H new ATOM 0 HA LEU B 11 1.907 0.922 -8.183 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.948 0.413 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.513 0.315 -6.275 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.805 2.793 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.597 3.547 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.477 2.004 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.227 2.024 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.188 4.080 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.019 2.564 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.601 2.907 -8.005 1.00 0.00 H new ATOM 482 N VAL B 12 -0.267 -1.183 -9.486 1.00 0.00 N ATOM 483 CA VAL B 12 -0.425 -2.575 -9.949 1.00 0.00 C ATOM 484 C VAL B 12 0.910 -3.100 -10.478 1.00 0.00 C ATOM 485 O VAL B 12 1.333 -4.195 -10.163 1.00 0.00 O ATOM 486 CB VAL B 12 -1.514 -2.562 -11.033 1.00 0.00 C ATOM 487 CG1 VAL B 12 -0.927 -2.826 -12.419 1.00 0.00 C ATOM 488 CG2 VAL B 12 -2.555 -3.620 -10.701 1.00 0.00 C ATOM 0 H VAL B 12 -1.036 -0.561 -9.733 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.723 -3.242 -9.140 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.974 -1.574 -11.052 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.725 -2.810 -13.161 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.194 -2.055 -12.657 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.442 -3.802 -12.429 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.332 -3.618 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.080 -4.600 -10.669 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.000 -3.401 -9.730 1.00 0.00 H new ATOM 498 N GLU B 13 1.572 -2.323 -11.278 1.00 0.00 N ATOM 499 CA GLU B 13 2.879 -2.758 -11.833 1.00 0.00 C ATOM 500 C GLU B 13 3.771 -3.253 -10.699 1.00 0.00 C ATOM 501 O GLU B 13 3.970 -4.438 -10.517 1.00 0.00 O ATOM 502 CB GLU B 13 3.551 -1.577 -12.539 1.00 0.00 C ATOM 503 CG GLU B 13 4.042 -2.021 -13.918 1.00 0.00 C ATOM 504 CD GLU B 13 3.045 -1.562 -14.984 1.00 0.00 C ATOM 505 OE1 GLU B 13 2.126 -2.313 -15.269 1.00 0.00 O ATOM 506 OE2 GLU B 13 3.218 -0.470 -15.497 1.00 0.00 O ATOM 0 H GLU B 13 1.263 -1.397 -11.575 1.00 0.00 H new ATOM 0 HA GLU B 13 2.722 -3.565 -12.549 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.847 -0.751 -12.640 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.387 -1.211 -11.943 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.027 -1.599 -14.119 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.148 -3.105 -13.947 1.00 0.00 H new ATOM 513 N ALA B 14 4.310 -2.349 -9.938 1.00 0.00 N ATOM 514 CA ALA B 14 5.193 -2.743 -8.811 1.00 0.00 C ATOM 515 C ALA B 14 4.441 -3.687 -7.872 1.00 0.00 C ATOM 516 O ALA B 14 5.033 -4.381 -7.068 1.00 0.00 O ATOM 517 CB ALA B 14 5.623 -1.492 -8.042 1.00 0.00 C ATOM 0 H ALA B 14 4.176 -1.344 -10.049 1.00 0.00 H new ATOM 0 HA ALA B 14 6.074 -3.252 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.271 -1.779 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.163 -0.822 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.741 -0.983 -7.653 1.00 0.00 H new ATOM 523 N LEU B 15 3.140 -3.718 -7.963 1.00 0.00 N ATOM 524 CA LEU B 15 2.352 -4.617 -7.071 1.00 0.00 C ATOM 525 C LEU B 15 2.226 -5.998 -7.719 1.00 0.00 C ATOM 526 O LEU B 15 1.855 -6.963 -7.081 1.00 0.00 O ATOM 527 CB LEU B 15 0.952 -4.033 -6.855 1.00 0.00 C ATOM 528 CG LEU B 15 0.611 -4.047 -5.362 1.00 0.00 C ATOM 529 CD1 LEU B 15 -0.682 -3.263 -5.128 1.00 0.00 C ATOM 530 CD2 LEU B 15 0.416 -5.490 -4.894 1.00 0.00 C ATOM 0 H LEU B 15 2.588 -3.161 -8.615 1.00 0.00 H new ATOM 0 HA LEU B 15 2.862 -4.706 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.910 -3.013 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.216 -4.613 -7.411 1.00 0.00 H new ATOM 0 HG LEU B 15 1.426 -3.589 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.926 -3.272 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.549 -2.234 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.494 -3.724 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.173 -5.498 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.398 -5.948 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.334 -6.054 -5.061 1.00 0.00 H new ATOM 542 N TYR B 16 2.530 -6.099 -8.983 1.00 0.00 N ATOM 543 CA TYR B 16 2.423 -7.417 -9.672 1.00 0.00 C ATOM 544 C TYR B 16 3.581 -8.319 -9.239 1.00 0.00 C ATOM 545 O TYR B 16 3.687 -9.453 -9.665 1.00 0.00 O ATOM 546 CB TYR B 16 2.480 -7.206 -11.186 1.00 0.00 C ATOM 547 CG TYR B 16 1.189 -7.679 -11.810 1.00 0.00 C ATOM 548 CD1 TYR B 16 -0.039 -7.318 -11.236 1.00 0.00 C ATOM 549 CD2 TYR B 16 1.217 -8.478 -12.960 1.00 0.00 C ATOM 550 CE1 TYR B 16 -1.237 -7.759 -11.814 1.00 0.00 C ATOM 551 CE2 TYR B 16 0.017 -8.918 -13.538 1.00 0.00 C ATOM 552 CZ TYR B 16 -1.209 -8.558 -12.964 1.00 0.00 C ATOM 553 OH TYR B 16 -2.391 -8.990 -13.532 1.00 0.00 O ATOM 0 H TYR B 16 2.848 -5.327 -9.569 1.00 0.00 H new ATOM 0 HA TYR B 16 1.478 -7.889 -9.405 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.640 -6.152 -11.411 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.322 -7.754 -11.609 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.061 -6.701 -10.350 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.163 -8.755 -13.402 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.183 -7.482 -11.372 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.038 -9.534 -14.425 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.194 -9.533 -14.324 1.00 0.00 H new ATOM 563 N LEU B 17 4.452 -7.829 -8.400 1.00 0.00 N ATOM 564 CA LEU B 17 5.601 -8.667 -7.950 1.00 0.00 C ATOM 565 C LEU B 17 5.657 -8.698 -6.420 1.00 0.00 C ATOM 566 O LEU B 17 6.398 -9.463 -5.836 1.00 0.00 O ATOM 567 CB LEU B 17 6.904 -8.076 -8.493 1.00 0.00 C ATOM 568 CG LEU B 17 7.966 -9.173 -8.575 1.00 0.00 C ATOM 569 CD1 LEU B 17 8.652 -9.123 -9.942 1.00 0.00 C ATOM 570 CD2 LEU B 17 9.006 -8.956 -7.474 1.00 0.00 C ATOM 0 H LEU B 17 4.419 -6.888 -8.007 1.00 0.00 H new ATOM 0 HA LEU B 17 5.472 -9.682 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.736 -7.643 -9.479 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.248 -7.270 -7.845 1.00 0.00 H new ATOM 0 HG LEU B 17 7.493 -10.146 -8.444 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.409 -9.906 -9.998 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.911 -9.277 -10.727 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.125 -8.150 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.764 -9.737 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.478 -7.982 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.518 -8.994 -6.500 1.00 0.00 H new ATOM 582 N VAL B 18 4.886 -7.874 -5.763 1.00 0.00 N ATOM 583 CA VAL B 18 4.912 -7.866 -4.273 1.00 0.00 C ATOM 584 C VAL B 18 3.821 -8.781 -3.722 1.00 0.00 C ATOM 585 O VAL B 18 4.058 -9.581 -2.839 1.00 0.00 O ATOM 586 CB VAL B 18 4.666 -6.452 -3.752 1.00 0.00 C ATOM 587 CG1 VAL B 18 3.293 -5.961 -4.214 1.00 0.00 C ATOM 588 CG2 VAL B 18 4.693 -6.481 -2.227 1.00 0.00 C ATOM 0 H VAL B 18 4.242 -7.209 -6.192 1.00 0.00 H new ATOM 0 HA VAL B 18 5.891 -8.218 -3.947 1.00 0.00 H new ATOM 0 HB VAL B 18 5.437 -5.783 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.123 -4.952 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.256 -5.955 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.520 -6.626 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.519 -5.477 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.914 -7.151 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.666 -6.837 -1.887 1.00 0.00 H new ATOM 598 N CYS B 19 2.622 -8.658 -4.217 1.00 0.00 N ATOM 599 CA CYS B 19 1.522 -9.510 -3.697 1.00 0.00 C ATOM 600 C CYS B 19 1.414 -10.782 -4.540 1.00 0.00 C ATOM 601 O CYS B 19 0.715 -11.712 -4.189 1.00 0.00 O ATOM 602 CB CYS B 19 0.204 -8.736 -3.764 1.00 0.00 C ATOM 603 SG CYS B 19 -0.855 -9.227 -2.381 1.00 0.00 S ATOM 0 H CYS B 19 2.358 -8.007 -4.956 1.00 0.00 H new ATOM 0 HA CYS B 19 1.732 -9.782 -2.662 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.397 -7.664 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.299 -8.935 -4.710 1.00 0.00 H new ATOM 608 N GLY B 20 2.097 -10.830 -5.651 1.00 0.00 N ATOM 609 CA GLY B 20 2.028 -12.042 -6.516 1.00 0.00 C ATOM 610 C GLY B 20 0.603 -12.206 -7.048 1.00 0.00 C ATOM 611 O GLY B 20 0.190 -13.285 -7.422 1.00 0.00 O ATOM 0 H GLY B 20 2.699 -10.083 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.729 -11.951 -7.345 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.320 -12.925 -5.948 1.00 0.00 H new ATOM 615 N GLU B 21 -0.150 -11.141 -7.083 1.00 0.00 N ATOM 616 CA GLU B 21 -1.549 -11.232 -7.590 1.00 0.00 C ATOM 617 C GLU B 21 -2.377 -12.101 -6.642 1.00 0.00 C ATOM 618 O GLU B 21 -2.994 -13.066 -7.048 1.00 0.00 O ATOM 619 CB GLU B 21 -1.547 -11.859 -8.986 1.00 0.00 C ATOM 620 CG GLU B 21 -2.385 -10.999 -9.934 1.00 0.00 C ATOM 621 CD GLU B 21 -3.043 -11.892 -10.988 1.00 0.00 C ATOM 622 OE1 GLU B 21 -2.680 -13.055 -11.060 1.00 0.00 O ATOM 623 OE2 GLU B 21 -3.896 -11.398 -11.705 1.00 0.00 O ATOM 0 H GLU B 21 0.143 -10.211 -6.782 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.983 -10.233 -7.642 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.526 -11.940 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.951 -12.870 -8.942 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.147 -10.458 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.755 -10.252 -10.417 1.00 0.00 H new ATOM 630 N ARG B 22 -2.394 -11.770 -5.380 1.00 0.00 N ATOM 631 CA ARG B 22 -3.181 -12.579 -4.409 1.00 0.00 C ATOM 632 C ARG B 22 -3.558 -11.712 -3.206 1.00 0.00 C ATOM 633 O ARG B 22 -2.830 -11.631 -2.236 1.00 0.00 O ATOM 634 CB ARG B 22 -2.340 -13.766 -3.937 1.00 0.00 C ATOM 635 CG ARG B 22 -2.970 -15.069 -4.432 1.00 0.00 C ATOM 636 CD ARG B 22 -2.111 -16.253 -3.986 1.00 0.00 C ATOM 637 NE ARG B 22 -2.123 -17.302 -5.044 1.00 0.00 N ATOM 638 CZ ARG B 22 -1.161 -18.182 -5.100 1.00 0.00 C ATOM 639 NH1 ARG B 22 -0.581 -18.585 -4.003 1.00 0.00 N ATOM 640 NH2 ARG B 22 -0.779 -18.659 -6.253 1.00 0.00 N ATOM 0 H ARG B 22 -1.897 -10.974 -4.980 1.00 0.00 H new ATOM 0 HA ARG B 22 -4.088 -12.943 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.321 -13.676 -4.314 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.277 -13.771 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.981 -15.170 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -3.053 -15.055 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.089 -15.924 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.493 -16.661 -3.050 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.883 -17.332 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.880 -18.212 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.171 -19.273 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -1.232 -18.344 -7.111 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.027 -19.347 -6.297 1.00 0.00 H new ATOM 654 N GLY B 23 -4.691 -11.066 -3.258 1.00 0.00 N ATOM 655 CA GLY B 23 -5.111 -10.210 -2.113 1.00 0.00 C ATOM 656 C GLY B 23 -5.306 -8.770 -2.589 1.00 0.00 C ATOM 657 O GLY B 23 -5.293 -7.840 -1.805 1.00 0.00 O ATOM 0 H GLY B 23 -5.343 -11.094 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.038 -10.590 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.358 -10.244 -1.326 1.00 0.00 H new ATOM 661 N PHE B 24 -5.488 -8.573 -3.865 1.00 0.00 N ATOM 662 CA PHE B 24 -5.685 -7.191 -4.385 1.00 0.00 C ATOM 663 C PHE B 24 -6.776 -6.493 -3.570 1.00 0.00 C ATOM 664 O PHE B 24 -7.594 -7.130 -2.936 1.00 0.00 O ATOM 665 CB PHE B 24 -6.108 -7.252 -5.853 1.00 0.00 C ATOM 666 CG PHE B 24 -4.907 -7.011 -6.736 1.00 0.00 C ATOM 667 CD1 PHE B 24 -3.668 -7.578 -6.406 1.00 0.00 C ATOM 668 CD2 PHE B 24 -5.032 -6.222 -7.888 1.00 0.00 C ATOM 669 CE1 PHE B 24 -2.555 -7.355 -7.228 1.00 0.00 C ATOM 670 CE2 PHE B 24 -3.918 -6.000 -8.709 1.00 0.00 C ATOM 671 CZ PHE B 24 -2.680 -6.566 -8.379 1.00 0.00 C ATOM 0 H PHE B 24 -5.509 -9.309 -4.570 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.752 -6.634 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -6.546 -8.225 -6.076 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -6.875 -6.504 -6.052 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.571 -8.186 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.986 -5.785 -8.143 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.600 -7.792 -6.974 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.014 -5.392 -9.597 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.822 -6.394 -9.012 1.00 0.00 H new ATOM 681 N PHE B 25 -6.796 -5.188 -3.583 1.00 0.00 N ATOM 682 CA PHE B 25 -7.836 -4.455 -2.809 1.00 0.00 C ATOM 683 C PHE B 25 -7.657 -2.944 -2.994 1.00 0.00 C ATOM 684 O PHE B 25 -7.202 -2.251 -2.106 1.00 0.00 O ATOM 685 CB PHE B 25 -7.709 -4.804 -1.325 1.00 0.00 C ATOM 686 CG PHE B 25 -8.969 -4.394 -0.602 1.00 0.00 C ATOM 687 CD1 PHE B 25 -10.166 -5.084 -0.833 1.00 0.00 C ATOM 688 CD2 PHE B 25 -8.941 -3.321 0.300 1.00 0.00 C ATOM 689 CE1 PHE B 25 -11.335 -4.702 -0.161 1.00 0.00 C ATOM 690 CE2 PHE B 25 -10.109 -2.940 0.971 1.00 0.00 C ATOM 691 CZ PHE B 25 -11.308 -3.631 0.740 1.00 0.00 C ATOM 0 H PHE B 25 -6.139 -4.600 -4.095 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.822 -4.746 -3.171 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.540 -5.874 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.847 -4.295 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.188 -5.910 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.018 -2.788 0.477 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.258 -5.234 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.087 -2.114 1.667 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.209 -3.337 1.257 1.00 0.00 H new ATOM 701 N TYR B 26 -8.025 -2.427 -4.136 1.00 0.00 N ATOM 702 CA TYR B 26 -7.893 -0.967 -4.372 1.00 0.00 C ATOM 703 C TYR B 26 -8.389 -0.632 -5.781 1.00 0.00 C ATOM 704 O TYR B 26 -7.761 0.099 -6.519 1.00 0.00 O ATOM 705 CB TYR B 26 -6.431 -0.534 -4.205 1.00 0.00 C ATOM 706 CG TYR B 26 -5.590 -1.071 -5.342 1.00 0.00 C ATOM 707 CD1 TYR B 26 -5.151 -2.400 -5.322 1.00 0.00 C ATOM 708 CD2 TYR B 26 -5.238 -0.233 -6.411 1.00 0.00 C ATOM 709 CE1 TYR B 26 -4.364 -2.895 -6.371 1.00 0.00 C ATOM 710 CE2 TYR B 26 -4.451 -0.728 -7.459 1.00 0.00 C ATOM 711 CZ TYR B 26 -4.015 -2.058 -7.440 1.00 0.00 C ATOM 712 OH TYR B 26 -3.239 -2.545 -8.471 1.00 0.00 O ATOM 0 H TYR B 26 -8.412 -2.958 -4.916 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.497 -0.428 -3.642 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.368 0.554 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.043 -0.898 -3.254 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.419 -3.044 -4.498 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.574 0.793 -6.426 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.027 -3.921 -6.356 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.181 -0.083 -8.282 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.824 -3.389 -8.197 1.00 0.00 H new ATOM 722 N THR B 27 -9.521 -1.160 -6.153 1.00 0.00 N ATOM 723 CA THR B 27 -10.071 -0.875 -7.508 1.00 0.00 C ATOM 724 C THR B 27 -10.476 0.601 -7.593 1.00 0.00 C ATOM 725 O THR B 27 -10.709 1.235 -6.583 1.00 0.00 O ATOM 726 CB THR B 27 -11.299 -1.754 -7.755 1.00 0.00 C ATOM 727 OG1 THR B 27 -11.774 -2.260 -6.515 1.00 0.00 O ATOM 728 CG2 THR B 27 -10.922 -2.919 -8.672 1.00 0.00 C ATOM 0 H THR B 27 -10.091 -1.778 -5.576 1.00 0.00 H new ATOM 0 HA THR B 27 -9.313 -1.089 -8.261 1.00 0.00 H new ATOM 0 HB THR B 27 -12.080 -1.160 -8.230 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.562 -2.822 -6.671 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.798 -3.543 -8.846 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.558 -2.530 -9.623 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.140 -3.515 -8.201 1.00 0.00 H new ATOM 736 N PRO B 28 -10.547 1.099 -8.799 1.00 0.00 N ATOM 737 CA PRO B 28 -10.924 2.501 -9.058 1.00 0.00 C ATOM 738 C PRO B 28 -12.440 2.677 -8.940 1.00 0.00 C ATOM 739 O PRO B 28 -13.163 2.586 -9.913 1.00 0.00 O ATOM 740 CB PRO B 28 -10.455 2.737 -10.496 1.00 0.00 C ATOM 741 CG PRO B 28 -10.366 1.343 -11.162 1.00 0.00 C ATOM 742 CD PRO B 28 -10.260 0.315 -10.018 1.00 0.00 C ATOM 0 HA PRO B 28 -10.483 3.203 -8.351 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -11.154 3.379 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -9.487 3.237 -10.511 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.246 1.150 -11.776 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.499 1.282 -11.819 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -10.974 -0.498 -10.146 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.268 -0.135 -9.978 1.00 0.00 H new ATOM 750 N LYS B 29 -12.928 2.926 -7.756 1.00 0.00 N ATOM 751 CA LYS B 29 -14.397 3.107 -7.578 1.00 0.00 C ATOM 752 C LYS B 29 -14.773 4.559 -7.880 1.00 0.00 C ATOM 753 O LYS B 29 -14.779 5.403 -7.006 1.00 0.00 O ATOM 754 CB LYS B 29 -14.782 2.768 -6.137 1.00 0.00 C ATOM 755 CG LYS B 29 -15.206 1.301 -6.054 1.00 0.00 C ATOM 756 CD LYS B 29 -16.194 1.118 -4.900 1.00 0.00 C ATOM 757 CE LYS B 29 -16.415 -0.375 -4.649 1.00 0.00 C ATOM 758 NZ LYS B 29 -17.730 -0.784 -5.217 1.00 0.00 N ATOM 0 H LYS B 29 -12.374 3.012 -6.904 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.930 2.445 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.939 2.952 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.596 3.412 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.666 0.991 -6.992 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.332 0.667 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.810 1.596 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.141 1.602 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.613 -0.954 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.388 -0.583 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.881 -1.799 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.490 -0.240 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.739 -0.600 -6.240 1.00 0.00 H new ATOM 772 N THR B 30 -15.085 4.858 -9.111 1.00 0.00 N ATOM 773 CA THR B 30 -15.459 6.254 -9.468 1.00 0.00 C ATOM 774 C THR B 30 -16.820 6.591 -8.855 1.00 0.00 C ATOM 775 O THR B 30 -17.771 5.796 -9.035 1.00 0.00 O ATOM 776 CB THR B 30 -15.538 6.388 -10.991 1.00 0.00 C ATOM 777 OG1 THR B 30 -16.524 5.496 -11.492 1.00 0.00 O ATOM 778 CG2 THR B 30 -14.179 6.046 -11.606 1.00 0.00 C ATOM 779 OXT THR B 30 -16.925 7.648 -8.199 1.00 0.00 O ATOM 0 H THR B 30 -15.097 4.194 -9.885 1.00 0.00 H new ATOM 0 HA THR B 30 -14.707 6.941 -9.081 1.00 0.00 H new ATOM 0 HB THR B 30 -15.806 7.412 -11.253 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.243 5.400 -10.833 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.236 6.142 -12.690 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.423 6.730 -11.221 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.909 5.023 -11.346 1.00 0.00 H new TER 787 THR B 30