USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 378 hydrogens (6 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 21 DGL HE2 : B 21 DGL OE2 : B 21 DGL CD :(short bond) USER MOD NoAdj-H: B 21 DGL H2 : B 21 DGL N : B 20 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 8 THR OG1 : rot -42:sc= 0.114 USER MOD Single : A 9 SER OG : rot 34:sc= 0.306 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0615 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0278 F(o=-0.61,f=-0.028) USER MOD Single : A 18 ASN : amide:sc= -0.673 K(o=-0.67,f=-1.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.412 K(o=-0.41,f=-2.8!) USER MOD Single : B 1 PHE N :NH3+ -105:sc= 0.116 (180deg=0.0141) USER MOD Single : B 3 ASN : amide:sc= -4.56! C(o=-4.6!,f=-8.2!) USER MOD Single : B 4 GLN : amide:sc= -0.343 K(o=-0.34,f=-3!) USER MOD Single : B 5 HIS : no HE2:sc= 0.165 K(o=0.16,f=-3.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.149 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -166:sc= -7.72! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.349 USER MOD Single : B 28 LYS NZ :NH3+ 152:sc= -0.073 (180deg=-0.442) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.857 6.142 1.732 1.00 0.00 N ATOM 2 CA GLY A 1 -9.191 4.790 1.477 1.00 0.00 C ATOM 3 C GLY A 1 -7.709 4.666 1.593 1.00 0.00 C ATOM 4 O GLY A 1 -7.078 5.356 2.369 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.886 6.051 1.609 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.650 6.453 2.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.489 6.843 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.634 4.073 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.467 4.475 0.471 1.00 0.00 H new ATOM 10 N ILE A 2 -7.117 3.789 0.831 1.00 0.00 N ATOM 11 CA ILE A 2 -5.640 3.615 0.901 1.00 0.00 C ATOM 12 C ILE A 2 -5.004 4.151 -0.389 1.00 0.00 C ATOM 13 O ILE A 2 -4.044 4.897 -0.352 1.00 0.00 O ATOM 14 CB ILE A 2 -5.316 2.124 1.081 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.926 1.974 1.704 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.347 1.409 -0.271 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.913 2.792 0.904 1.00 0.00 C ATOM 0 H ILE A 2 -7.593 3.184 0.162 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.237 4.170 1.748 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.063 1.677 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.943 2.311 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.633 0.924 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.116 0.353 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.339 1.507 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.608 1.856 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.924 2.683 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.888 2.434 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.203 3.843 0.916 1.00 0.00 H new ATOM 29 N VAL A 3 -5.535 3.774 -1.524 1.00 0.00 N ATOM 30 CA VAL A 3 -4.979 4.249 -2.824 1.00 0.00 C ATOM 31 C VAL A 3 -4.542 5.708 -2.711 1.00 0.00 C ATOM 32 O VAL A 3 -3.381 6.023 -2.858 1.00 0.00 O ATOM 33 CB VAL A 3 -6.054 4.127 -3.899 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.522 4.683 -5.219 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.423 2.655 -4.074 1.00 0.00 C ATOM 0 H VAL A 3 -6.338 3.151 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.114 3.640 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.937 4.693 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.291 4.595 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.255 5.732 -5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.640 4.119 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.191 2.561 -4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.540 2.092 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.802 2.260 -3.131 1.00 0.00 H new ATOM 45 N GLU A 4 -5.457 6.603 -2.456 1.00 0.00 N ATOM 46 CA GLU A 4 -5.072 8.038 -2.339 1.00 0.00 C ATOM 47 C GLU A 4 -3.812 8.147 -1.483 1.00 0.00 C ATOM 48 O GLU A 4 -2.833 8.749 -1.877 1.00 0.00 O ATOM 49 CB GLU A 4 -6.207 8.825 -1.680 1.00 0.00 C ATOM 50 CG GLU A 4 -6.851 9.753 -2.712 1.00 0.00 C ATOM 51 CD GLU A 4 -8.374 9.647 -2.612 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.844 8.679 -2.038 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.044 10.535 -3.112 1.00 0.00 O ATOM 0 H GLU A 4 -6.449 6.404 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.882 8.448 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.952 8.140 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.822 9.407 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.535 10.782 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.522 9.483 -3.715 1.00 0.00 H new ATOM 60 N GLN A 5 -3.821 7.559 -0.321 1.00 0.00 N ATOM 61 CA GLN A 5 -2.614 7.624 0.545 1.00 0.00 C ATOM 62 C GLN A 5 -1.394 7.210 -0.280 1.00 0.00 C ATOM 63 O GLN A 5 -0.282 7.622 -0.012 1.00 0.00 O ATOM 64 CB GLN A 5 -2.784 6.673 1.731 1.00 0.00 C ATOM 65 CG GLN A 5 -4.153 6.907 2.375 1.00 0.00 C ATOM 66 CD GLN A 5 -4.102 6.493 3.846 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.638 5.469 4.222 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.476 7.252 4.703 1.00 0.00 N ATOM 0 H GLN A 5 -4.609 7.038 0.065 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.478 8.638 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.698 5.639 1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.992 6.839 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.431 7.958 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.916 6.332 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.026 8.112 4.389 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.437 6.986 5.687 1.00 0.00 H new ATOM 77 N CYS A 6 -1.595 6.404 -1.289 1.00 0.00 N ATOM 78 CA CYS A 6 -0.449 5.971 -2.137 1.00 0.00 C ATOM 79 C CYS A 6 -0.495 6.715 -3.477 1.00 0.00 C ATOM 80 O CYS A 6 0.461 6.715 -4.228 1.00 0.00 O ATOM 81 CB CYS A 6 -0.538 4.463 -2.391 1.00 0.00 C ATOM 82 SG CYS A 6 -0.222 3.565 -0.849 1.00 0.00 S ATOM 0 H CYS A 6 -2.503 6.028 -1.561 1.00 0.00 H new ATOM 0 HA CYS A 6 0.485 6.198 -1.624 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.525 4.207 -2.777 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.187 4.169 -3.150 1.00 0.00 H new ATOM 87 N CYS A 7 -1.596 7.347 -3.782 1.00 0.00 N ATOM 88 CA CYS A 7 -1.697 8.086 -5.073 1.00 0.00 C ATOM 89 C CYS A 7 -1.613 9.588 -4.804 1.00 0.00 C ATOM 90 O CYS A 7 -0.867 10.303 -5.444 1.00 0.00 O ATOM 91 CB CYS A 7 -3.036 7.764 -5.741 1.00 0.00 C ATOM 92 SG CYS A 7 -3.047 8.428 -7.425 1.00 0.00 S ATOM 0 H CYS A 7 -2.429 7.384 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.881 7.786 -5.730 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.193 6.686 -5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.855 8.194 -5.164 1.00 0.00 H new ATOM 97 N THR A 8 -2.373 10.071 -3.861 1.00 0.00 N ATOM 98 CA THR A 8 -2.339 11.526 -3.547 1.00 0.00 C ATOM 99 C THR A 8 -1.021 11.865 -2.842 1.00 0.00 C ATOM 100 O THR A 8 -0.740 13.011 -2.549 1.00 0.00 O ATOM 101 CB THR A 8 -3.518 11.876 -2.637 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.685 13.286 -2.600 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.250 11.353 -1.225 1.00 0.00 C ATOM 0 H THR A 8 -3.017 9.520 -3.294 1.00 0.00 H new ATOM 0 HA THR A 8 -2.412 12.102 -4.469 1.00 0.00 H new ATOM 0 HB THR A 8 -4.425 11.414 -3.025 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.808 13.718 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.091 11.603 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.125 10.271 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.342 11.812 -0.833 1.00 0.00 H new ATOM 111 N SER A 9 -0.209 10.877 -2.571 1.00 0.00 N ATOM 112 CA SER A 9 1.088 11.140 -1.889 1.00 0.00 C ATOM 113 C SER A 9 2.082 10.031 -2.247 1.00 0.00 C ATOM 114 O SER A 9 1.852 9.246 -3.145 1.00 0.00 O ATOM 115 CB SER A 9 0.875 11.166 -0.376 1.00 0.00 C ATOM 116 OG SER A 9 0.644 12.505 0.043 1.00 0.00 O ATOM 0 H SER A 9 -0.390 9.898 -2.794 1.00 0.00 H new ATOM 0 HA SER A 9 1.482 12.103 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.027 10.537 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.749 10.759 0.133 1.00 0.00 H new ATOM 0 HG SER A 9 0.160 12.989 -0.659 1.00 0.00 H new ATOM 122 N ILE A 10 3.186 9.960 -1.554 1.00 0.00 N ATOM 123 CA ILE A 10 4.189 8.904 -1.858 1.00 0.00 C ATOM 124 C ILE A 10 3.878 7.648 -1.040 1.00 0.00 C ATOM 125 O ILE A 10 3.399 7.724 0.073 1.00 0.00 O ATOM 126 CB ILE A 10 5.582 9.416 -1.494 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.834 10.750 -2.201 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.630 8.398 -1.937 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.024 10.504 -3.700 1.00 0.00 C ATOM 0 H ILE A 10 3.435 10.589 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 10 4.152 8.660 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 10 5.648 9.558 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.995 11.426 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.719 11.233 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.624 8.763 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.450 7.448 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.566 8.256 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.204 11.453 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.877 9.844 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.127 10.040 -4.109 1.00 0.00 H new ATOM 141 N CYS A 11 4.150 6.492 -1.584 1.00 0.00 N ATOM 142 CA CYS A 11 3.872 5.232 -0.836 1.00 0.00 C ATOM 143 C CYS A 11 5.038 4.256 -1.028 1.00 0.00 C ATOM 144 O CYS A 11 5.189 3.653 -2.071 1.00 0.00 O ATOM 145 CB CYS A 11 2.583 4.599 -1.363 1.00 0.00 C ATOM 146 SG CYS A 11 1.367 4.504 -0.025 1.00 0.00 S ATOM 0 H CYS A 11 4.552 6.366 -2.513 1.00 0.00 H new ATOM 0 HA CYS A 11 3.758 5.457 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.186 5.190 -2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.788 3.602 -1.754 1.00 0.00 H new ATOM 151 N SER A 12 5.863 4.100 -0.028 1.00 0.00 N ATOM 152 CA SER A 12 7.018 3.165 -0.150 1.00 0.00 C ATOM 153 C SER A 12 6.541 1.730 0.070 1.00 0.00 C ATOM 154 O SER A 12 5.641 1.479 0.848 1.00 0.00 O ATOM 155 CB SER A 12 8.070 3.520 0.902 1.00 0.00 C ATOM 156 OG SER A 12 7.419 3.923 2.100 1.00 0.00 O ATOM 0 H SER A 12 5.787 4.580 0.869 1.00 0.00 H new ATOM 0 HA SER A 12 7.453 3.252 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.712 2.661 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.711 4.322 0.536 1.00 0.00 H new ATOM 0 HG SER A 12 8.090 4.150 2.777 1.00 0.00 H new ATOM 162 N LEU A 13 7.137 0.784 -0.611 1.00 0.00 N ATOM 163 CA LEU A 13 6.718 -0.634 -0.440 1.00 0.00 C ATOM 164 C LEU A 13 6.499 -0.916 1.047 1.00 0.00 C ATOM 165 O LEU A 13 5.677 -1.728 1.422 1.00 0.00 O ATOM 166 CB LEU A 13 7.810 -1.563 -0.978 1.00 0.00 C ATOM 167 CG LEU A 13 8.328 -1.028 -2.314 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.654 -0.297 -2.095 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.546 -2.196 -3.278 1.00 0.00 C ATOM 0 H LEU A 13 7.895 0.935 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 13 5.793 -0.810 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.628 -1.632 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.413 -2.570 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 13 7.598 -0.336 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.021 0.083 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.502 0.534 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.385 -0.987 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.915 -1.817 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.276 -2.886 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.602 -2.718 -3.436 1.00 0.00 H new ATOM 181 N TYR A 14 7.226 -0.242 1.896 1.00 0.00 N ATOM 182 CA TYR A 14 7.061 -0.461 3.355 1.00 0.00 C ATOM 183 C TYR A 14 5.595 -0.254 3.729 1.00 0.00 C ATOM 184 O TYR A 14 4.915 -1.168 4.152 1.00 0.00 O ATOM 185 CB TYR A 14 7.919 0.544 4.126 1.00 0.00 C ATOM 186 CG TYR A 14 8.875 -0.212 5.060 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.804 -1.140 4.539 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.840 0.009 6.452 1.00 0.00 C ATOM 189 CE1 TYR A 14 10.673 -1.826 5.396 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.714 -0.682 7.301 1.00 0.00 C ATOM 191 CZ TYR A 14 10.629 -1.597 6.774 1.00 0.00 C ATOM 192 OH TYR A 14 11.488 -2.275 7.614 1.00 0.00 O ATOM 0 H TYR A 14 7.928 0.452 1.638 1.00 0.00 H new ATOM 0 HA TYR A 14 7.372 -1.475 3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.486 1.163 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.283 1.214 4.704 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.844 -1.321 3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.135 0.715 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.380 -2.535 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.680 -0.507 8.366 1.00 0.00 H new ATOM 0 HH TYR A 14 11.327 -1.998 8.540 1.00 0.00 H new ATOM 202 N GLN A 15 5.107 0.945 3.574 1.00 0.00 N ATOM 203 CA GLN A 15 3.686 1.218 3.919 1.00 0.00 C ATOM 204 C GLN A 15 2.778 0.381 3.018 1.00 0.00 C ATOM 205 O GLN A 15 1.658 0.068 3.370 1.00 0.00 O ATOM 206 CB GLN A 15 3.382 2.703 3.709 1.00 0.00 C ATOM 207 CG GLN A 15 4.456 3.549 4.395 1.00 0.00 C ATOM 208 CD GLN A 15 4.008 5.012 4.426 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.786 5.300 4.782 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 4.777 5.903 4.122 1.00 0.00 N flip ATOM 0 H GLN A 15 5.631 1.747 3.223 1.00 0.00 H new ATOM 0 HA GLN A 15 3.509 0.957 4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.351 2.931 2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.400 2.944 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.626 3.188 5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.402 3.458 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.732 5.679 3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.467 6.874 4.145 1.00 0.00 H new ATOM 219 N LEU A 16 3.248 0.017 1.854 1.00 0.00 N ATOM 220 CA LEU A 16 2.402 -0.796 0.938 1.00 0.00 C ATOM 221 C LEU A 16 2.248 -2.203 1.508 1.00 0.00 C ATOM 222 O LEU A 16 1.226 -2.842 1.359 1.00 0.00 O ATOM 223 CB LEU A 16 3.056 -0.879 -0.442 1.00 0.00 C ATOM 224 CG LEU A 16 3.038 0.499 -1.099 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.438 0.374 -2.572 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.633 1.096 -1.001 1.00 0.00 C ATOM 0 H LEU A 16 4.177 0.247 1.501 1.00 0.00 H new ATOM 0 HA LEU A 16 1.423 -0.326 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.082 -1.236 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.524 -1.598 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 16 3.746 1.150 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.424 1.359 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.441 -0.046 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.734 -0.280 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.622 2.080 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.924 0.443 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.350 1.191 0.047 1.00 0.00 H new ATOM 238 N GLU A 17 3.263 -2.686 2.161 1.00 0.00 N ATOM 239 CA GLU A 17 3.196 -4.052 2.748 1.00 0.00 C ATOM 240 C GLU A 17 2.081 -4.102 3.791 1.00 0.00 C ATOM 241 O GLU A 17 1.555 -5.151 4.106 1.00 0.00 O ATOM 242 CB GLU A 17 4.535 -4.381 3.413 1.00 0.00 C ATOM 243 CG GLU A 17 5.304 -5.382 2.551 1.00 0.00 C ATOM 244 CD GLU A 17 5.045 -6.802 3.060 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.906 -7.232 2.998 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.990 -7.432 3.503 1.00 0.00 O ATOM 0 H GLU A 17 4.142 -2.192 2.315 1.00 0.00 H new ATOM 0 HA GLU A 17 2.990 -4.780 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.121 -3.471 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.367 -4.796 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.993 -5.295 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.371 -5.162 2.584 1.00 0.00 H new ATOM 253 N ASN A 18 1.719 -2.973 4.328 1.00 0.00 N ATOM 254 CA ASN A 18 0.641 -2.943 5.356 1.00 0.00 C ATOM 255 C ASN A 18 -0.718 -3.157 4.687 1.00 0.00 C ATOM 256 O ASN A 18 -1.733 -3.257 5.347 1.00 0.00 O ATOM 257 CB ASN A 18 0.649 -1.586 6.063 1.00 0.00 C ATOM 258 CG ASN A 18 2.041 -1.315 6.635 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.808 -2.231 6.858 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.401 -0.086 6.887 1.00 0.00 N ATOM 0 H ASN A 18 2.124 -2.065 4.099 1.00 0.00 H new ATOM 0 HA ASN A 18 0.815 -3.737 6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.373 -0.798 5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.092 -1.576 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.326 0.106 7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.757 0.683 6.700 1.00 0.00 H new ATOM 267 N TYR A 19 -0.753 -3.226 3.384 1.00 0.00 N ATOM 268 CA TYR A 19 -2.056 -3.430 2.690 1.00 0.00 C ATOM 269 C TYR A 19 -2.084 -4.809 2.030 1.00 0.00 C ATOM 270 O TYR A 19 -3.109 -5.252 1.554 1.00 0.00 O ATOM 271 CB TYR A 19 -2.244 -2.361 1.616 1.00 0.00 C ATOM 272 CG TYR A 19 -1.744 -1.021 2.152 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.224 -0.516 3.379 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.792 -0.279 1.433 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.757 0.708 3.866 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.328 0.942 1.927 1.00 0.00 C ATOM 277 CZ TYR A 19 -0.810 1.438 3.141 1.00 0.00 C ATOM 278 OH TYR A 19 -0.350 2.645 3.627 1.00 0.00 O ATOM 0 H TYR A 19 0.060 -3.150 2.773 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.859 -3.359 3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.696 -2.633 0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.296 -2.287 1.339 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.954 -1.077 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.417 -0.655 0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.129 1.091 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.406 1.505 1.369 1.00 0.00 H new ATOM 0 HH TYR A 19 0.305 3.021 3.002 1.00 0.00 H new ATOM 288 N CYS A 20 -0.968 -5.492 1.981 1.00 0.00 N ATOM 289 CA CYS A 20 -0.962 -6.832 1.335 1.00 0.00 C ATOM 290 C CYS A 20 -2.177 -7.628 1.797 1.00 0.00 C ATOM 291 O CYS A 20 -2.248 -8.084 2.922 1.00 0.00 O ATOM 292 CB CYS A 20 0.303 -7.608 1.683 1.00 0.00 C ATOM 293 SG CYS A 20 0.245 -9.138 0.745 1.00 0.00 S ATOM 0 H CYS A 20 -0.072 -5.181 2.357 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.994 -6.686 0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.193 -7.032 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.350 -7.812 2.753 1.00 0.00 H new ATOM 298 N ASN A 21 -3.131 -7.801 0.932 1.00 0.00 N ATOM 299 CA ASN A 21 -4.350 -8.572 1.305 1.00 0.00 C ATOM 300 C ASN A 21 -5.117 -7.817 2.393 1.00 0.00 C ATOM 301 O ASN A 21 -4.991 -8.192 3.548 1.00 0.00 O ATOM 302 CB ASN A 21 -3.937 -9.948 1.833 1.00 0.00 C ATOM 303 CG ASN A 21 -4.410 -11.030 0.861 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.302 -10.804 0.067 1.00 0.00 O ATOM 305 ND2 ASN A 21 -3.848 -12.208 0.893 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.819 -6.880 2.054 1.00 0.00 O ATOM 0 H ASN A 21 -3.122 -7.441 -0.022 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.988 -8.694 0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.854 -9.995 1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.370 -10.116 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.158 -12.938 0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.099 -12.398 1.559 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.229 1.325 -3.743 1.00 0.00 N ATOM 315 CA PHE B 1 12.673 1.996 -4.951 1.00 0.00 C ATOM 316 C PHE B 1 12.699 3.513 -4.747 1.00 0.00 C ATOM 317 O PHE B 1 13.160 4.005 -3.737 1.00 0.00 O ATOM 318 CB PHE B 1 11.231 1.536 -5.173 1.00 0.00 C ATOM 319 CG PHE B 1 11.225 0.346 -6.143 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.678 -0.923 -5.723 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.769 0.505 -7.469 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.672 -2.005 -6.613 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.767 -0.584 -8.350 1.00 0.00 C ATOM 324 CZ PHE B 1 11.217 -1.836 -7.923 1.00 0.00 C ATOM 0 H1 PHE B 1 14.188 0.978 -3.949 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.268 2.004 -2.956 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.620 0.524 -3.480 1.00 0.00 H new ATOM 0 HA PHE B 1 13.275 1.735 -5.822 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.778 1.249 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.634 2.353 -5.577 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.031 -1.061 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.420 1.470 -7.806 1.00 0.00 H new ATOM 0 HE1 PHE B 1 12.020 -2.973 -6.285 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.416 -0.455 -9.363 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.213 -2.673 -8.606 1.00 0.00 H new ATOM 336 N VAL B 2 12.206 4.257 -5.698 1.00 0.00 N ATOM 337 CA VAL B 2 12.201 5.740 -5.557 1.00 0.00 C ATOM 338 C VAL B 2 10.854 6.193 -4.988 1.00 0.00 C ATOM 339 O VAL B 2 9.849 5.528 -5.143 1.00 0.00 O ATOM 340 CB VAL B 2 12.419 6.384 -6.927 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.193 6.144 -7.808 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.634 7.889 -6.752 1.00 0.00 C ATOM 0 H VAL B 2 11.806 3.902 -6.567 1.00 0.00 H new ATOM 0 HA VAL B 2 13.001 6.044 -4.882 1.00 0.00 H new ATOM 0 HB VAL B 2 13.296 5.942 -7.400 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.350 6.604 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.039 5.072 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.314 6.585 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.790 8.350 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.757 8.329 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.509 8.061 -6.126 1.00 0.00 H new ATOM 352 N ASN B 3 10.826 7.320 -4.331 1.00 0.00 N ATOM 353 CA ASN B 3 9.545 7.813 -3.752 1.00 0.00 C ATOM 354 C ASN B 3 8.626 8.292 -4.879 1.00 0.00 C ATOM 355 O ASN B 3 8.859 9.316 -5.490 1.00 0.00 O ATOM 356 CB ASN B 3 9.828 8.976 -2.799 1.00 0.00 C ATOM 357 CG ASN B 3 9.788 8.474 -1.354 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.142 7.488 -1.059 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.455 9.117 -0.434 1.00 0.00 N ATOM 0 H ASN B 3 11.635 7.920 -4.170 1.00 0.00 H new ATOM 0 HA ASN B 3 9.060 7.004 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.804 9.410 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.089 9.765 -2.942 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.434 8.792 0.532 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.997 9.945 -0.682 1.00 0.00 H new ATOM 366 N GLN B 4 7.583 7.559 -5.159 1.00 0.00 N ATOM 367 CA GLN B 4 6.652 7.973 -6.245 1.00 0.00 C ATOM 368 C GLN B 4 5.210 7.700 -5.813 1.00 0.00 C ATOM 369 O GLN B 4 4.938 7.426 -4.660 1.00 0.00 O ATOM 370 CB GLN B 4 6.962 7.176 -7.514 1.00 0.00 C ATOM 371 CG GLN B 4 8.324 7.603 -8.068 1.00 0.00 C ATOM 372 CD GLN B 4 8.127 8.703 -9.113 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.042 8.880 -9.629 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.139 9.456 -9.448 1.00 0.00 N ATOM 0 H GLN B 4 7.336 6.692 -4.682 1.00 0.00 H new ATOM 0 HA GLN B 4 6.777 9.037 -6.444 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.966 6.109 -7.293 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.185 7.344 -8.260 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.960 7.964 -7.260 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.831 6.748 -8.515 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.050 9.308 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.018 10.193 -10.143 1.00 0.00 H new ATOM 383 N HIS B 5 4.284 7.771 -6.729 1.00 0.00 N ATOM 384 CA HIS B 5 2.860 7.514 -6.371 1.00 0.00 C ATOM 385 C HIS B 5 2.440 6.147 -6.910 1.00 0.00 C ATOM 386 O HIS B 5 3.056 5.606 -7.807 1.00 0.00 O ATOM 387 CB HIS B 5 1.979 8.606 -6.981 1.00 0.00 C ATOM 388 CG HIS B 5 2.512 9.953 -6.574 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.097 10.570 -5.414 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.426 10.776 -7.171 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.760 11.733 -5.338 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.586 11.902 -6.392 1.00 0.00 N ATOM 0 H HIS B 5 4.451 7.996 -7.710 1.00 0.00 H new ATOM 0 HA HIS B 5 2.746 7.523 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.969 8.518 -8.067 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.949 8.491 -6.643 1.00 0.00 H new ATOM 0 HD1 HIS B 5 1.417 10.212 -4.743 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.939 10.577 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.647 12.445 -4.534 1.00 0.00 H new ATOM 400 N LEU B 6 1.402 5.576 -6.362 1.00 0.00 N ATOM 401 CA LEU B 6 0.953 4.237 -6.837 1.00 0.00 C ATOM 402 C LEU B 6 -0.514 4.304 -7.252 1.00 0.00 C ATOM 403 O LEU B 6 -1.407 3.993 -6.490 1.00 0.00 O ATOM 404 CB LEU B 6 1.130 3.213 -5.715 1.00 0.00 C ATOM 405 CG LEU B 6 2.614 3.099 -5.365 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.427 2.893 -6.643 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.074 4.384 -4.679 1.00 0.00 C ATOM 0 H LEU B 6 0.846 5.978 -5.607 1.00 0.00 H new ATOM 0 HA LEU B 6 1.552 3.936 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.560 3.516 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.743 2.243 -6.028 1.00 0.00 H new ATOM 0 HG LEU B 6 2.763 2.251 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.485 2.812 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.100 1.979 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.276 3.741 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.132 4.304 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.923 5.229 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.496 4.537 -3.767 1.00 0.00 H new ATOM 419 N CYS B 7 -0.762 4.710 -8.465 1.00 0.00 N ATOM 420 CA CYS B 7 -2.162 4.802 -8.954 1.00 0.00 C ATOM 421 C CYS B 7 -2.348 3.835 -10.125 1.00 0.00 C ATOM 422 O CYS B 7 -1.399 3.444 -10.777 1.00 0.00 O ATOM 423 CB CYS B 7 -2.455 6.231 -9.420 1.00 0.00 C ATOM 424 SG CYS B 7 -1.575 7.412 -8.365 1.00 0.00 S ATOM 0 H CYS B 7 -0.050 4.983 -9.142 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.847 4.541 -8.147 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.146 6.356 -10.458 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.527 6.423 -9.381 1.00 0.00 H new ATOM 429 N GLY B 8 -3.561 3.446 -10.398 1.00 0.00 N ATOM 430 CA GLY B 8 -3.803 2.506 -11.528 1.00 0.00 C ATOM 431 C GLY B 8 -2.945 1.253 -11.348 1.00 0.00 C ATOM 432 O GLY B 8 -3.054 0.547 -10.363 1.00 0.00 O ATOM 0 H GLY B 8 -4.395 3.738 -9.888 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.858 2.234 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.563 2.990 -12.475 1.00 0.00 H new ATOM 436 N SER B 9 -2.092 0.967 -12.293 1.00 0.00 N ATOM 437 CA SER B 9 -1.235 -0.243 -12.174 1.00 0.00 C ATOM 438 C SER B 9 -0.206 -0.040 -11.067 1.00 0.00 C ATOM 439 O SER B 9 -0.042 -0.880 -10.209 1.00 0.00 O ATOM 440 CB SER B 9 -0.509 -0.497 -13.489 1.00 0.00 C ATOM 441 OG SER B 9 -1.058 0.335 -14.502 1.00 0.00 O ATOM 0 H SER B 9 -1.953 1.518 -13.140 1.00 0.00 H new ATOM 0 HA SER B 9 -1.866 -1.099 -11.936 1.00 0.00 H new ATOM 0 HB2 SER B 9 0.556 -0.294 -13.374 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.605 -1.545 -13.773 1.00 0.00 H new ATOM 0 HG SER B 9 -0.590 0.173 -15.348 1.00 0.00 H new ATOM 447 N ASP B 10 0.486 1.068 -11.068 1.00 0.00 N ATOM 448 CA ASP B 10 1.496 1.302 -9.998 1.00 0.00 C ATOM 449 C ASP B 10 0.872 0.929 -8.655 1.00 0.00 C ATOM 450 O ASP B 10 1.550 0.563 -7.720 1.00 0.00 O ATOM 451 CB ASP B 10 1.908 2.777 -9.982 1.00 0.00 C ATOM 452 CG ASP B 10 2.263 3.222 -11.403 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.274 2.376 -12.282 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.520 4.400 -11.586 1.00 0.00 O ATOM 0 H ASP B 10 0.396 1.815 -11.757 1.00 0.00 H new ATOM 0 HA ASP B 10 2.381 0.694 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.095 3.389 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.762 2.920 -9.320 1.00 0.00 H new ATOM 459 N LEU B 11 -0.424 1.013 -8.567 1.00 0.00 N ATOM 460 CA LEU B 11 -1.118 0.661 -7.302 1.00 0.00 C ATOM 461 C LEU B 11 -1.066 -0.856 -7.106 1.00 0.00 C ATOM 462 O LEU B 11 -0.752 -1.342 -6.033 1.00 0.00 O ATOM 463 CB LEU B 11 -2.571 1.141 -7.399 1.00 0.00 C ATOM 464 CG LEU B 11 -3.294 1.034 -6.049 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.348 1.345 -4.888 1.00 0.00 C ATOM 466 CD2 LEU B 11 -4.437 2.044 -6.026 1.00 0.00 C ATOM 0 H LEU B 11 -1.037 1.313 -9.325 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.635 1.139 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.591 2.176 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.101 0.548 -8.144 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.665 0.015 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.889 1.261 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.519 0.638 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.961 2.358 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.960 1.980 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -4.036 3.050 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -5.132 1.825 -6.837 1.00 0.00 H new ATOM 478 N VAL B 12 -1.346 -1.615 -8.132 1.00 0.00 N ATOM 479 CA VAL B 12 -1.285 -3.098 -7.971 1.00 0.00 C ATOM 480 C VAL B 12 0.127 -3.572 -8.308 1.00 0.00 C ATOM 481 O VAL B 12 0.607 -4.551 -7.773 1.00 0.00 O ATOM 482 CB VAL B 12 -2.303 -3.800 -8.882 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.219 -4.673 -8.027 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.160 -2.776 -9.628 1.00 0.00 C ATOM 0 H VAL B 12 -1.610 -1.281 -9.059 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.532 -3.351 -6.940 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.760 -4.405 -9.608 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.945 -5.175 -8.667 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.623 -5.418 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.744 -4.050 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.874 -3.296 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.699 -2.159 -8.909 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.519 -2.142 -10.241 1.00 0.00 H new ATOM 494 N GLU B 13 0.805 -2.871 -9.175 1.00 0.00 N ATOM 495 CA GLU B 13 2.191 -3.265 -9.523 1.00 0.00 C ATOM 496 C GLU B 13 3.078 -2.996 -8.314 1.00 0.00 C ATOM 497 O GLU B 13 3.931 -3.787 -7.951 1.00 0.00 O ATOM 498 CB GLU B 13 2.670 -2.435 -10.715 1.00 0.00 C ATOM 499 CG GLU B 13 3.997 -2.993 -11.220 1.00 0.00 C ATOM 500 CD GLU B 13 4.274 -2.462 -12.628 1.00 0.00 C ATOM 501 OE1 GLU B 13 4.067 -1.280 -12.845 1.00 0.00 O ATOM 502 OE2 GLU B 13 4.689 -3.247 -13.465 1.00 0.00 O ATOM 0 H GLU B 13 0.455 -2.042 -9.656 1.00 0.00 H new ATOM 0 HA GLU B 13 2.233 -4.321 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.926 -2.459 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.789 -1.392 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.804 -2.705 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.964 -4.082 -11.231 1.00 0.00 H new ATOM 509 N ALA B 14 2.858 -1.887 -7.670 1.00 0.00 N ATOM 510 CA ALA B 14 3.655 -1.548 -6.466 1.00 0.00 C ATOM 511 C ALA B 14 3.403 -2.616 -5.415 1.00 0.00 C ATOM 512 O ALA B 14 4.319 -3.243 -4.922 1.00 0.00 O ATOM 513 CB ALA B 14 3.219 -0.185 -5.926 1.00 0.00 C ATOM 0 H ALA B 14 2.154 -1.196 -7.930 1.00 0.00 H new ATOM 0 HA ALA B 14 4.715 -1.505 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.807 0.061 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.377 0.576 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.162 -0.220 -5.661 1.00 0.00 H new ATOM 519 N LEU B 15 2.163 -2.845 -5.080 1.00 0.00 N ATOM 520 CA LEU B 15 1.863 -3.892 -4.072 1.00 0.00 C ATOM 521 C LEU B 15 2.191 -5.257 -4.675 1.00 0.00 C ATOM 522 O LEU B 15 2.578 -6.181 -3.987 1.00 0.00 O ATOM 523 CB LEU B 15 0.389 -3.818 -3.681 1.00 0.00 C ATOM 524 CG LEU B 15 0.235 -2.823 -2.530 1.00 0.00 C ATOM 525 CD1 LEU B 15 -0.485 -1.568 -3.021 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.574 -3.466 -1.406 1.00 0.00 C ATOM 0 H LEU B 15 1.353 -2.355 -5.459 1.00 0.00 H new ATOM 0 HA LEU B 15 2.464 -3.739 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.213 -3.505 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.028 -4.802 -3.381 1.00 0.00 H new ATOM 0 HG LEU B 15 1.223 -2.548 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.591 -0.863 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.094 -1.106 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.472 -1.838 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.684 -2.757 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.559 -3.744 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.057 -4.357 -1.049 1.00 0.00 H new ATOM 538 N TYR B 16 2.067 -5.390 -5.964 1.00 0.00 N ATOM 539 CA TYR B 16 2.402 -6.690 -6.602 1.00 0.00 C ATOM 540 C TYR B 16 3.773 -7.135 -6.094 1.00 0.00 C ATOM 541 O TYR B 16 4.078 -8.310 -6.036 1.00 0.00 O ATOM 542 CB TYR B 16 2.460 -6.514 -8.119 1.00 0.00 C ATOM 543 CG TYR B 16 1.281 -7.253 -8.769 1.00 0.00 C ATOM 544 CD1 TYR B 16 1.072 -8.629 -8.523 1.00 0.00 C ATOM 545 CD2 TYR B 16 0.388 -6.569 -9.620 1.00 0.00 C ATOM 546 CE1 TYR B 16 -0.005 -9.297 -9.121 1.00 0.00 C ATOM 547 CE2 TYR B 16 -0.684 -7.247 -10.212 1.00 0.00 C ATOM 548 CZ TYR B 16 -0.880 -8.607 -9.964 1.00 0.00 C ATOM 549 OH TYR B 16 -1.938 -9.271 -10.550 1.00 0.00 O ATOM 0 H TYR B 16 1.750 -4.659 -6.600 1.00 0.00 H new ATOM 0 HA TYR B 16 1.645 -7.435 -6.356 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.423 -5.455 -8.374 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.403 -6.902 -8.504 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.745 -9.168 -7.872 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.532 -5.517 -9.816 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.159 -10.349 -8.930 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.362 -6.716 -10.863 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.449 -8.646 -11.105 1.00 0.00 H new ATOM 559 N LEU B 17 4.605 -6.194 -5.730 1.00 0.00 N ATOM 560 CA LEU B 17 5.964 -6.548 -5.230 1.00 0.00 C ATOM 561 C LEU B 17 5.986 -6.528 -3.695 1.00 0.00 C ATOM 562 O LEU B 17 6.860 -7.101 -3.076 1.00 0.00 O ATOM 563 CB LEU B 17 6.979 -5.535 -5.764 1.00 0.00 C ATOM 564 CG LEU B 17 6.881 -5.469 -7.288 1.00 0.00 C ATOM 565 CD1 LEU B 17 7.632 -4.237 -7.794 1.00 0.00 C ATOM 566 CD2 LEU B 17 7.503 -6.729 -7.895 1.00 0.00 C ATOM 0 H LEU B 17 4.401 -5.195 -5.758 1.00 0.00 H new ATOM 0 HA LEU B 17 6.221 -7.549 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.788 -4.552 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.987 -5.823 -5.466 1.00 0.00 H new ATOM 0 HG LEU B 17 5.833 -5.403 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.562 -4.189 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.190 -3.339 -7.362 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.680 -4.303 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.433 -6.682 -8.982 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.551 -6.795 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.969 -7.608 -7.535 1.00 0.00 H new ATOM 578 N VAL B 18 5.037 -5.877 -3.074 1.00 0.00 N ATOM 579 CA VAL B 18 5.022 -5.834 -1.579 1.00 0.00 C ATOM 580 C VAL B 18 4.413 -7.125 -1.047 1.00 0.00 C ATOM 581 O VAL B 18 4.902 -7.733 -0.116 1.00 0.00 O ATOM 582 CB VAL B 18 4.174 -4.649 -1.088 1.00 0.00 C ATOM 583 CG1 VAL B 18 4.442 -3.416 -1.954 1.00 0.00 C ATOM 584 CG2 VAL B 18 2.683 -5.018 -1.156 1.00 0.00 C ATOM 0 H VAL B 18 4.276 -5.376 -3.532 1.00 0.00 H new ATOM 0 HA VAL B 18 6.045 -5.719 -1.219 1.00 0.00 H new ATOM 0 HB VAL B 18 4.444 -4.422 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.836 -2.583 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.497 -3.150 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.183 -3.636 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.084 -4.177 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.413 -5.254 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.494 -5.885 -0.523 1.00 0.00 H new ATOM 594 N CYS B 19 3.334 -7.523 -1.639 1.00 0.00 N ATOM 595 CA CYS B 19 2.638 -8.751 -1.204 1.00 0.00 C ATOM 596 C CYS B 19 3.545 -9.955 -1.433 1.00 0.00 C ATOM 597 O CYS B 19 3.807 -10.737 -0.541 1.00 0.00 O ATOM 598 CB CYS B 19 1.366 -8.907 -2.040 1.00 0.00 C ATOM 599 SG CYS B 19 -0.097 -8.437 -1.112 1.00 0.00 S ATOM 0 H CYS B 19 2.896 -7.039 -2.423 1.00 0.00 H new ATOM 0 HA CYS B 19 2.387 -8.687 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.442 -8.292 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.271 -9.942 -2.370 1.00 0.00 H new ATOM 604 N GLY B 20 4.019 -10.102 -2.631 1.00 0.00 N ATOM 605 CA GLY B 20 4.912 -11.251 -2.953 1.00 0.00 C ATOM 606 C GLY B 20 4.104 -12.351 -3.645 1.00 0.00 C ATOM 607 O GLY B 20 4.268 -13.522 -3.367 1.00 0.00 O ATOM 0 H GLY B 20 3.827 -9.473 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.726 -10.922 -3.599 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.366 -11.638 -2.041 1.00 0.00 H new HETATM 611 N DGL B 21 3.231 -11.985 -4.545 1.00 0.00 N HETATM 612 CA DGL B 21 2.414 -13.012 -5.253 1.00 0.00 C HETATM 613 C DGL B 21 1.310 -12.322 -6.061 1.00 0.00 C HETATM 614 O DGL B 21 1.558 -11.381 -6.790 1.00 0.00 O HETATM 615 CB DGL B 21 3.312 -13.813 -6.198 1.00 0.00 C HETATM 616 CG DGL B 21 4.159 -12.852 -7.034 1.00 0.00 C HETATM 617 CD DGL B 21 4.377 -13.444 -8.429 1.00 0.00 C HETATM 618 OE1 DGL B 21 3.646 -14.353 -8.785 1.00 0.00 O HETATM 619 OE2 DGL B 21 5.270 -12.977 -9.116 1.00 0.00 O HETATM 0 HG3 DGL B 21 3.661 -11.885 -7.111 1.00 0.00 H new HETATM 0 HG2 DGL B 21 5.119 -12.679 -6.547 1.00 0.00 H new HETATM 0 HB3 DGL B 21 3.957 -14.480 -5.626 1.00 0.00 H new HETATM 0 HB2 DGL B 21 2.704 -14.440 -6.850 1.00 0.00 H new HETATM 0 HA DGL B 21 1.962 -13.683 -4.522 1.00 0.00 H new HETATM 0 H DGL B 21 3.007 -10.995 -4.648 1.00 0.00 H new ATOM 626 N ARG B 22 0.094 -12.780 -5.938 1.00 0.00 N ATOM 627 CA ARG B 22 -1.021 -12.149 -6.701 1.00 0.00 C ATOM 628 C ARG B 22 -2.251 -12.011 -5.800 1.00 0.00 C ATOM 629 O ARG B 22 -3.333 -11.697 -6.257 1.00 0.00 O ATOM 630 CB ARG B 22 -1.374 -13.023 -7.906 1.00 0.00 C ATOM 631 CG ARG B 22 -2.046 -14.311 -7.425 1.00 0.00 C ATOM 632 CD ARG B 22 -1.190 -15.513 -7.825 1.00 0.00 C ATOM 633 NE ARG B 22 -1.994 -16.762 -7.703 1.00 0.00 N ATOM 634 CZ ARG B 22 -3.250 -16.769 -8.057 1.00 0.00 C ATOM 635 NH1 ARG B 22 -3.578 -17.053 -9.288 1.00 0.00 N ATOM 636 NH2 ARG B 22 -4.178 -16.497 -7.182 1.00 0.00 N ATOM 0 H ARG B 22 -0.176 -13.563 -5.343 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.708 -11.162 -7.042 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -2.040 -12.482 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.474 -13.260 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.173 -14.285 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -3.041 -14.399 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.836 -15.395 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.308 -15.572 -7.187 1.00 0.00 H new ATOM 0 HE ARG B 22 -1.562 -17.613 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.853 -17.269 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.559 -17.059 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.923 -16.278 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -5.159 -16.503 -7.461 1.00 0.00 H new ATOM 650 N GLY B 23 -2.098 -12.246 -4.527 1.00 0.00 N ATOM 651 CA GLY B 23 -3.264 -12.131 -3.604 1.00 0.00 C ATOM 652 C GLY B 23 -3.242 -10.766 -2.912 1.00 0.00 C ATOM 653 O GLY B 23 -2.398 -10.495 -2.081 1.00 0.00 O ATOM 0 H GLY B 23 -1.218 -12.512 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.194 -12.253 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.231 -12.927 -2.860 1.00 0.00 H new ATOM 657 N PHE B 24 -4.166 -9.906 -3.245 1.00 0.00 N ATOM 658 CA PHE B 24 -4.200 -8.562 -2.603 1.00 0.00 C ATOM 659 C PHE B 24 -5.564 -7.915 -2.848 1.00 0.00 C ATOM 660 O PHE B 24 -6.479 -8.536 -3.350 1.00 0.00 O ATOM 661 CB PHE B 24 -3.103 -7.677 -3.204 1.00 0.00 C ATOM 662 CG PHE B 24 -3.298 -7.569 -4.699 1.00 0.00 C ATOM 663 CD1 PHE B 24 -4.361 -6.815 -5.219 1.00 0.00 C ATOM 664 CD2 PHE B 24 -2.416 -8.223 -5.569 1.00 0.00 C ATOM 665 CE1 PHE B 24 -4.541 -6.718 -6.604 1.00 0.00 C ATOM 666 CE2 PHE B 24 -2.595 -8.125 -6.955 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.658 -7.374 -7.472 1.00 0.00 C ATOM 0 H PHE B 24 -4.899 -10.077 -3.934 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.033 -8.669 -1.531 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.133 -6.686 -2.751 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.122 -8.098 -2.985 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.041 -6.309 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.597 -8.803 -5.171 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.360 -6.138 -7.003 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.913 -8.628 -7.625 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.797 -7.300 -8.540 1.00 0.00 H new ATOM 677 N PHE B 25 -5.698 -6.667 -2.501 1.00 0.00 N ATOM 678 CA PHE B 25 -6.994 -5.960 -2.711 1.00 0.00 C ATOM 679 C PHE B 25 -6.708 -4.503 -3.076 1.00 0.00 C ATOM 680 O PHE B 25 -6.770 -3.623 -2.242 1.00 0.00 O ATOM 681 CB PHE B 25 -7.819 -6.011 -1.422 1.00 0.00 C ATOM 682 CG PHE B 25 -8.577 -7.344 -1.355 1.00 0.00 C ATOM 683 CD1 PHE B 25 -7.888 -8.549 -1.091 1.00 0.00 C ATOM 684 CD2 PHE B 25 -9.972 -7.384 -1.557 1.00 0.00 C ATOM 685 CE1 PHE B 25 -8.587 -9.762 -1.031 1.00 0.00 C ATOM 686 CE2 PHE B 25 -10.660 -8.603 -1.494 1.00 0.00 C ATOM 687 CZ PHE B 25 -9.969 -9.788 -1.231 1.00 0.00 C ATOM 0 H PHE B 25 -4.962 -6.101 -2.078 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.553 -6.441 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.167 -5.907 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.522 -5.178 -1.394 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.819 -8.535 -0.935 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.512 -6.471 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.055 -10.680 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.729 -8.626 -1.649 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.504 -10.725 -1.182 1.00 0.00 H new ATOM 697 N TYR B 26 -6.385 -4.240 -4.314 1.00 0.00 N ATOM 698 CA TYR B 26 -6.085 -2.840 -4.717 1.00 0.00 C ATOM 699 C TYR B 26 -6.730 -2.513 -6.051 1.00 0.00 C ATOM 700 O TYR B 26 -6.554 -3.214 -7.027 1.00 0.00 O ATOM 701 CB TYR B 26 -4.585 -2.659 -4.853 1.00 0.00 C ATOM 702 CG TYR B 26 -4.126 -1.751 -3.723 1.00 0.00 C ATOM 703 CD1 TYR B 26 -4.418 -0.371 -3.745 1.00 0.00 C ATOM 704 CD2 TYR B 26 -3.425 -2.288 -2.635 1.00 0.00 C ATOM 705 CE1 TYR B 26 -4.003 0.448 -2.687 1.00 0.00 C ATOM 706 CE2 TYR B 26 -3.013 -1.464 -1.584 1.00 0.00 C ATOM 707 CZ TYR B 26 -3.299 -0.099 -1.610 1.00 0.00 C ATOM 708 OH TYR B 26 -2.890 0.708 -0.571 1.00 0.00 O ATOM 0 H TYR B 26 -6.317 -4.933 -5.060 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.482 -2.174 -3.951 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.077 -3.622 -4.801 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.339 -2.221 -5.820 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.961 0.054 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.202 -3.344 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.227 1.504 -2.703 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.472 -1.885 -0.750 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.233 0.229 -0.024 1.00 0.00 H new ATOM 718 N THR B 27 -7.456 -1.438 -6.112 1.00 0.00 N ATOM 719 CA THR B 27 -8.079 -1.061 -7.399 1.00 0.00 C ATOM 720 C THR B 27 -8.465 0.420 -7.375 1.00 0.00 C ATOM 721 O THR B 27 -7.992 1.182 -6.557 1.00 0.00 O ATOM 722 CB THR B 27 -9.319 -1.922 -7.645 1.00 0.00 C ATOM 723 OG1 THR B 27 -9.856 -1.619 -8.925 1.00 0.00 O ATOM 724 CG2 THR B 27 -10.366 -1.632 -6.569 1.00 0.00 C ATOM 0 H THR B 27 -7.643 -0.809 -5.331 1.00 0.00 H new ATOM 0 HA THR B 27 -7.365 -1.228 -8.206 1.00 0.00 H new ATOM 0 HB THR B 27 -9.044 -2.976 -7.605 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.650 -2.171 -9.086 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.249 -2.246 -6.746 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.953 -1.864 -5.587 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.644 -0.579 -6.606 1.00 0.00 H new ATOM 732 N LYS B 28 -9.319 0.833 -8.273 1.00 0.00 N ATOM 733 CA LYS B 28 -9.732 2.262 -8.308 1.00 0.00 C ATOM 734 C LYS B 28 -10.995 2.456 -7.463 1.00 0.00 C ATOM 735 O LYS B 28 -11.756 1.530 -7.264 1.00 0.00 O ATOM 736 CB LYS B 28 -10.019 2.674 -9.754 1.00 0.00 C ATOM 737 CG LYS B 28 -8.726 2.614 -10.570 1.00 0.00 C ATOM 738 CD LYS B 28 -8.987 1.883 -11.888 1.00 0.00 C ATOM 739 CE LYS B 28 -9.194 2.906 -13.005 1.00 0.00 C ATOM 740 NZ LYS B 28 -7.901 3.585 -13.305 1.00 0.00 N ATOM 0 H LYS B 28 -9.748 0.240 -8.984 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.929 2.879 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.767 2.012 -10.190 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.431 3.683 -9.781 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.361 3.622 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.950 2.099 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.146 1.232 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.867 1.247 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.573 2.412 -13.899 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.942 3.641 -12.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.894 3.895 -14.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.790 4.411 -12.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.115 2.923 -13.144 1.00 0.00 H new ATOM 754 N PRO B 29 -11.177 3.664 -6.992 1.00 0.00 N ATOM 755 CA PRO B 29 -12.336 4.027 -6.163 1.00 0.00 C ATOM 756 C PRO B 29 -13.583 4.204 -7.035 1.00 0.00 C ATOM 757 O PRO B 29 -13.508 4.665 -8.157 1.00 0.00 O ATOM 758 CB PRO B 29 -11.923 5.355 -5.523 1.00 0.00 C ATOM 759 CG PRO B 29 -10.825 5.952 -6.433 1.00 0.00 C ATOM 760 CD PRO B 29 -10.243 4.778 -7.242 1.00 0.00 C ATOM 0 HA PRO B 29 -12.588 3.266 -5.424 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.775 6.031 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.548 5.199 -4.512 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.240 6.712 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.050 6.436 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.184 5.017 -8.304 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.233 4.531 -6.915 1.00 0.00 H new ATOM 768 N THR B 30 -14.730 3.840 -6.530 1.00 0.00 N ATOM 769 CA THR B 30 -15.976 3.989 -7.332 1.00 0.00 C ATOM 770 C THR B 30 -16.089 5.428 -7.837 1.00 0.00 C ATOM 771 O THR B 30 -16.094 6.326 -7.011 1.00 0.00 O ATOM 772 CB THR B 30 -17.189 3.657 -6.460 1.00 0.00 C ATOM 773 OG1 THR B 30 -16.803 2.738 -5.448 1.00 0.00 O ATOM 774 CG2 THR B 30 -18.286 3.038 -7.326 1.00 0.00 C ATOM 775 OXT THR B 30 -16.169 5.608 -9.042 1.00 0.00 O ATOM 0 H THR B 30 -14.858 3.446 -5.598 1.00 0.00 H new ATOM 0 HA THR B 30 -15.943 3.307 -8.182 1.00 0.00 H new ATOM 0 HB THR B 30 -17.567 4.568 -5.997 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.578 2.525 -4.887 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.150 2.802 -6.705 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.580 3.745 -8.102 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.912 2.125 -7.790 1.00 0.00 H new TER 783 THR B 30