USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= 0.855 USER MOD Set 1.2: A 51 THR OG1 : rot 89:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0788 (180deg=-0.531) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.29) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 160:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 37 ASN :FLIP amide:sc= 0.178 F(o=-0.67,f=0.18) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= -0.0194 (180deg=-0.0723) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.254 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.364 -2.659 -5.068 1.00 15.35 N ATOM 2 CA MET A 1 -13.316 -2.088 -6.013 1.00 64.15 C ATOM 3 C MET A 1 -12.746 -0.836 -6.669 1.00 23.20 C ATOM 4 O MET A 1 -12.735 0.242 -6.072 1.00 10.33 O ATOM 5 CB MET A 1 -14.632 -1.755 -5.307 1.00 30.42 C ATOM 6 CG MET A 1 -15.209 -2.917 -4.516 1.00 51.25 C ATOM 7 SD MET A 1 -16.746 -2.491 -3.677 1.00 5.34 S ATOM 8 CE MET A 1 -16.776 -3.723 -2.377 1.00 31.54 C ATOM 0 H1 MET A 1 -12.635 -3.640 -4.853 1.00 15.35 H new ATOM 0 H2 MET A 1 -11.411 -2.646 -5.485 1.00 15.35 H new ATOM 0 H3 MET A 1 -12.366 -2.099 -4.192 1.00 15.35 H new ATOM 0 HA MET A 1 -13.507 -2.828 -6.790 1.00 64.15 H new ATOM 0 HB2 MET A 1 -14.471 -0.913 -4.634 1.00 30.42 H new ATOM 0 HB3 MET A 1 -15.362 -1.434 -6.050 1.00 30.42 H new ATOM 0 HG2 MET A 1 -15.387 -3.756 -5.188 1.00 51.25 H new ATOM 0 HG3 MET A 1 -14.477 -3.249 -3.779 1.00 51.25 H new ATOM 0 HE1 MET A 1 -17.671 -3.589 -1.770 1.00 31.54 H new ATOM 0 HE2 MET A 1 -16.783 -4.719 -2.820 1.00 31.54 H new ATOM 0 HE3 MET A 1 -15.892 -3.611 -1.749 1.00 31.54 H new ATOM 18 N THR A 2 -12.272 -0.982 -7.903 1.00 31.03 N ATOM 19 CA THR A 2 -11.699 0.138 -8.639 1.00 51.24 C ATOM 20 C THR A 2 -12.761 0.853 -9.467 1.00 42.33 C ATOM 21 O THR A 2 -13.636 0.218 -10.056 1.00 23.34 O ATOM 22 CB THR A 2 -10.564 -0.326 -9.572 1.00 44.04 C ATOM 23 OG1 THR A 2 -11.106 -1.067 -10.672 1.00 33.43 O ATOM 24 CG2 THR A 2 -9.561 -1.186 -8.819 1.00 65.01 C ATOM 0 H THR A 2 -12.274 -1.865 -8.413 1.00 31.03 H new ATOM 0 HA THR A 2 -11.293 0.828 -7.899 1.00 51.24 H new ATOM 0 HB THR A 2 -10.049 0.558 -9.949 1.00 44.04 H new ATOM 0 HG1 THR A 2 -10.379 -1.357 -11.261 1.00 33.43 H new ATOM 0 HG21 THR A 2 -8.769 -1.501 -9.499 1.00 65.01 H new ATOM 0 HG22 THR A 2 -9.129 -0.609 -8.001 1.00 65.01 H new ATOM 0 HG23 THR A 2 -10.065 -2.065 -8.416 1.00 65.01 H new ATOM 32 N PHE A 3 -12.679 2.179 -9.508 1.00 14.21 N ATOM 33 CA PHE A 3 -13.633 2.981 -10.264 1.00 11.03 C ATOM 34 C PHE A 3 -13.003 3.510 -11.548 1.00 1.44 C ATOM 35 O PHE A 3 -11.832 3.889 -11.568 1.00 51.21 O ATOM 36 CB PHE A 3 -14.139 4.148 -9.411 1.00 63.43 C ATOM 37 CG PHE A 3 -15.345 3.808 -8.584 1.00 1.05 C ATOM 38 CD1 PHE A 3 -15.325 2.726 -7.718 1.00 40.25 C ATOM 39 CD2 PHE A 3 -16.499 4.569 -8.672 1.00 64.04 C ATOM 40 CE1 PHE A 3 -16.433 2.410 -6.955 1.00 60.15 C ATOM 41 CE2 PHE A 3 -17.610 4.259 -7.911 1.00 41.21 C ATOM 42 CZ PHE A 3 -17.578 3.177 -7.053 1.00 21.42 C ATOM 0 H PHE A 3 -11.961 2.721 -9.026 1.00 14.21 H new ATOM 0 HA PHE A 3 -14.475 2.343 -10.531 1.00 11.03 H new ATOM 0 HB2 PHE A 3 -13.337 4.479 -8.751 1.00 63.43 H new ATOM 0 HB3 PHE A 3 -14.381 4.987 -10.064 1.00 63.43 H new ATOM 0 HD1 PHE A 3 -14.433 2.123 -7.639 1.00 40.25 H new ATOM 0 HD2 PHE A 3 -16.531 5.415 -9.343 1.00 64.04 H new ATOM 0 HE1 PHE A 3 -16.404 1.565 -6.283 1.00 60.15 H new ATOM 0 HE2 PHE A 3 -18.503 4.862 -7.987 1.00 41.21 H new ATOM 0 HZ PHE A 3 -18.446 2.931 -6.460 1.00 21.42 H new ATOM 52 N LYS A 4 -13.789 3.534 -12.620 1.00 3.25 N ATOM 53 CA LYS A 4 -13.310 4.017 -13.910 1.00 54.54 C ATOM 54 C LYS A 4 -14.120 5.222 -14.374 1.00 41.11 C ATOM 55 O LYS A 4 -15.309 5.106 -14.674 1.00 61.11 O ATOM 56 CB LYS A 4 -13.389 2.902 -14.956 1.00 3.33 C ATOM 57 CG LYS A 4 -13.007 3.354 -16.355 1.00 44.53 C ATOM 58 CD LYS A 4 -12.417 2.213 -17.168 1.00 33.45 C ATOM 59 CE LYS A 4 -13.454 1.138 -17.455 1.00 60.12 C ATOM 60 NZ LYS A 4 -13.082 0.309 -18.634 1.00 34.34 N1+ ATOM 0 H LYS A 4 -14.761 3.224 -12.621 1.00 3.25 H new ATOM 0 HA LYS A 4 -12.271 4.324 -13.792 1.00 54.54 H new ATOM 0 HB2 LYS A 4 -12.733 2.085 -14.655 1.00 3.33 H new ATOM 0 HB3 LYS A 4 -14.404 2.505 -14.976 1.00 3.33 H new ATOM 0 HG2 LYS A 4 -13.887 3.748 -16.864 1.00 44.53 H new ATOM 0 HG3 LYS A 4 -12.285 4.168 -16.291 1.00 44.53 H new ATOM 0 HD2 LYS A 4 -12.023 2.600 -18.108 1.00 33.45 H new ATOM 0 HD3 LYS A 4 -11.578 1.775 -16.627 1.00 33.45 H new ATOM 0 HE2 LYS A 4 -13.564 0.497 -16.580 1.00 60.12 H new ATOM 0 HE3 LYS A 4 -14.423 1.606 -17.631 1.00 60.12 H new ATOM 0 HZ1 LYS A 4 -13.814 -0.412 -18.796 1.00 34.34 H new ATOM 0 HZ2 LYS A 4 -13.002 0.917 -19.474 1.00 34.34 H new ATOM 0 HZ3 LYS A 4 -12.170 -0.158 -18.456 1.00 34.34 H new ATOM 74 N LEU A 5 -13.470 6.379 -14.432 1.00 1.44 N ATOM 75 CA LEU A 5 -14.130 7.608 -14.861 1.00 1.13 C ATOM 76 C LEU A 5 -14.029 7.780 -16.373 1.00 71.35 C ATOM 77 O LEU A 5 -12.940 7.972 -16.915 1.00 1.22 O ATOM 78 CB LEU A 5 -13.510 8.816 -14.157 1.00 31.14 C ATOM 79 CG LEU A 5 -14.482 9.922 -13.742 1.00 44.21 C ATOM 80 CD1 LEU A 5 -13.761 10.991 -12.937 1.00 25.24 C ATOM 81 CD2 LEU A 5 -15.149 10.532 -14.966 1.00 23.24 C ATOM 0 H LEU A 5 -12.486 6.492 -14.187 1.00 1.44 H new ATOM 0 HA LEU A 5 -15.184 7.539 -14.590 1.00 1.13 H new ATOM 0 HB2 LEU A 5 -12.989 8.465 -13.266 1.00 31.14 H new ATOM 0 HB3 LEU A 5 -12.758 9.249 -14.816 1.00 31.14 H new ATOM 0 HG LEU A 5 -15.256 9.483 -13.113 1.00 44.21 H new ATOM 0 HD11 LEU A 5 -14.468 11.770 -12.650 1.00 25.24 H new ATOM 0 HD12 LEU A 5 -13.331 10.544 -12.041 1.00 25.24 H new ATOM 0 HD13 LEU A 5 -12.966 11.428 -13.542 1.00 25.24 H new ATOM 0 HD21 LEU A 5 -15.837 11.317 -14.652 1.00 23.24 H new ATOM 0 HD22 LEU A 5 -14.388 10.957 -15.621 1.00 23.24 H new ATOM 0 HD23 LEU A 5 -15.700 9.760 -15.503 1.00 23.24 H new ATOM 93 N ILE A 6 -15.171 7.711 -17.049 1.00 24.13 N ATOM 94 CA ILE A 6 -15.211 7.862 -18.498 1.00 62.22 C ATOM 95 C ILE A 6 -15.950 9.135 -18.897 1.00 53.35 C ATOM 96 O ILE A 6 -17.035 9.421 -18.388 1.00 75.11 O ATOM 97 CB ILE A 6 -15.889 6.655 -19.171 1.00 63.11 C ATOM 98 CG1 ILE A 6 -15.178 5.359 -18.779 1.00 32.15 C ATOM 99 CG2 ILE A 6 -15.895 6.826 -20.684 1.00 54.12 C ATOM 100 CD1 ILE A 6 -13.748 5.283 -19.265 1.00 20.03 C ATOM 0 H ILE A 6 -16.081 7.551 -16.616 1.00 24.13 H new ATOM 0 HA ILE A 6 -14.177 7.923 -18.838 1.00 62.22 H new ATOM 0 HB ILE A 6 -16.922 6.599 -18.827 1.00 63.11 H new ATOM 0 HG12 ILE A 6 -15.190 5.262 -17.693 1.00 32.15 H new ATOM 0 HG13 ILE A 6 -15.735 4.513 -19.181 1.00 32.15 H new ATOM 0 HG21 ILE A 6 -16.378 5.965 -21.146 1.00 54.12 H new ATOM 0 HG22 ILE A 6 -16.442 7.732 -20.946 1.00 54.12 H new ATOM 0 HG23 ILE A 6 -14.870 6.904 -21.045 1.00 54.12 H new ATOM 0 HD11 ILE A 6 -13.307 4.337 -18.951 1.00 20.03 H new ATOM 0 HD12 ILE A 6 -13.730 5.348 -20.353 1.00 20.03 H new ATOM 0 HD13 ILE A 6 -13.176 6.109 -18.842 1.00 20.03 H new ATOM 112 N ILE A 7 -15.358 9.894 -19.813 1.00 30.14 N ATOM 113 CA ILE A 7 -15.962 11.135 -20.283 1.00 34.51 C ATOM 114 C ILE A 7 -16.421 11.008 -21.732 1.00 52.33 C ATOM 115 O ILE A 7 -15.613 11.073 -22.657 1.00 72.34 O ATOM 116 CB ILE A 7 -14.982 12.317 -20.167 1.00 62.11 C ATOM 117 CG1 ILE A 7 -14.485 12.457 -18.728 1.00 32.31 C ATOM 118 CG2 ILE A 7 -15.649 13.604 -20.631 1.00 14.31 C ATOM 119 CD1 ILE A 7 -13.253 11.631 -18.432 1.00 75.32 C ATOM 0 H ILE A 7 -14.461 9.672 -20.244 1.00 30.14 H new ATOM 0 HA ILE A 7 -16.826 11.327 -19.647 1.00 34.51 H new ATOM 0 HB ILE A 7 -14.123 12.123 -20.810 1.00 62.11 H new ATOM 0 HG12 ILE A 7 -14.266 13.506 -18.528 1.00 32.31 H new ATOM 0 HG13 ILE A 7 -15.283 12.162 -18.046 1.00 32.31 H new ATOM 0 HG21 ILE A 7 -14.944 14.431 -20.543 1.00 14.31 H new ATOM 0 HG22 ILE A 7 -15.958 13.499 -21.671 1.00 14.31 H new ATOM 0 HG23 ILE A 7 -16.523 13.805 -20.011 1.00 14.31 H new ATOM 0 HD11 ILE A 7 -12.957 11.779 -17.394 1.00 75.32 H new ATOM 0 HD12 ILE A 7 -13.473 10.577 -18.600 1.00 75.32 H new ATOM 0 HD13 ILE A 7 -12.440 11.941 -19.089 1.00 75.32 H new ATOM 131 N ASN A 8 -17.724 10.829 -21.921 1.00 40.13 N ATOM 132 CA ASN A 8 -18.291 10.695 -23.258 1.00 12.04 C ATOM 133 C ASN A 8 -18.396 12.055 -23.943 1.00 11.01 C ATOM 134 O ASN A 8 -19.455 12.683 -23.940 1.00 0.32 O ATOM 135 CB ASN A 8 -19.672 10.040 -23.186 1.00 61.05 C ATOM 136 CG ASN A 8 -20.028 9.299 -24.461 1.00 42.52 C ATOM 137 OD1 ASN A 8 -19.560 9.647 -25.545 1.00 24.41 O ATOM 138 ND2 ASN A 8 -20.860 8.271 -24.335 1.00 64.13 N ATOM 0 H ASN A 8 -18.407 10.773 -21.166 1.00 40.13 H new ATOM 0 HA ASN A 8 -17.626 10.062 -23.846 1.00 12.04 H new ATOM 0 HB2 ASN A 8 -19.698 9.346 -22.346 1.00 61.05 H new ATOM 0 HB3 ASN A 8 -20.424 10.805 -22.991 1.00 61.05 H new ATOM 0 HD21 ASN A 8 -21.136 7.734 -25.157 1.00 64.13 H new ATOM 0 HD22 ASN A 8 -21.223 8.019 -23.416 1.00 64.13 H new ATOM 145 N GLY A 9 -17.292 12.503 -24.530 1.00 55.13 N ATOM 146 CA GLY A 9 -17.281 13.785 -25.212 1.00 54.33 C ATOM 147 C GLY A 9 -16.718 13.690 -26.616 1.00 12.13 C ATOM 148 O GLY A 9 -15.599 13.217 -26.815 1.00 31.02 O ATOM 0 H GLY A 9 -16.404 12.002 -24.546 1.00 55.13 H new ATOM 0 HA2 GLY A 9 -18.297 14.178 -25.257 1.00 54.33 H new ATOM 0 HA3 GLY A 9 -16.690 14.495 -24.634 1.00 54.33 H new ATOM 152 N LYS A 10 -17.497 14.139 -27.595 1.00 45.12 N ATOM 153 CA LYS A 10 -17.072 14.102 -28.988 1.00 44.22 C ATOM 154 C LYS A 10 -15.761 14.859 -29.178 1.00 23.05 C ATOM 155 O LYS A 10 -14.995 14.576 -30.100 1.00 25.41 O ATOM 156 CB LYS A 10 -18.155 14.702 -29.889 1.00 31.12 C ATOM 157 CG LYS A 10 -18.175 14.114 -31.289 1.00 10.22 C ATOM 158 CD LYS A 10 -19.441 14.498 -32.036 1.00 41.21 C ATOM 159 CE LYS A 10 -19.736 13.528 -33.170 1.00 15.11 C ATOM 160 NZ LYS A 10 -21.185 13.501 -33.515 1.00 12.24 N1+ ATOM 0 H LYS A 10 -18.426 14.533 -27.448 1.00 45.12 H new ATOM 0 HA LYS A 10 -16.913 13.060 -29.265 1.00 44.22 H new ATOM 0 HB2 LYS A 10 -19.129 14.547 -29.425 1.00 31.12 H new ATOM 0 HB3 LYS A 10 -18.003 15.779 -29.958 1.00 31.12 H new ATOM 0 HG2 LYS A 10 -17.304 14.463 -31.844 1.00 10.22 H new ATOM 0 HG3 LYS A 10 -18.101 13.028 -31.230 1.00 10.22 H new ATOM 0 HD2 LYS A 10 -20.282 14.516 -31.343 1.00 41.21 H new ATOM 0 HD3 LYS A 10 -19.337 15.506 -32.436 1.00 41.21 H new ATOM 0 HE2 LYS A 10 -19.159 13.812 -34.050 1.00 15.11 H new ATOM 0 HE3 LYS A 10 -19.412 12.527 -32.885 1.00 15.11 H new ATOM 0 HZ1 LYS A 10 -21.344 12.828 -34.292 1.00 12.24 H new ATOM 0 HZ2 LYS A 10 -21.735 13.206 -32.683 1.00 12.24 H new ATOM 0 HZ3 LYS A 10 -21.489 14.450 -33.812 1.00 12.24 H new ATOM 174 N THR A 11 -15.508 15.824 -28.298 1.00 4.01 N ATOM 175 CA THR A 11 -14.291 16.622 -28.368 1.00 71.41 C ATOM 176 C THR A 11 -13.285 16.184 -27.309 1.00 70.40 C ATOM 177 O THR A 11 -12.075 16.213 -27.538 1.00 41.44 O ATOM 178 CB THR A 11 -14.590 18.122 -28.187 1.00 75.24 C ATOM 179 OG1 THR A 11 -15.537 18.554 -29.169 1.00 62.30 O ATOM 180 CG2 THR A 11 -13.317 18.946 -28.305 1.00 75.13 C ATOM 0 H THR A 11 -16.131 16.071 -27.529 1.00 4.01 H new ATOM 0 HA THR A 11 -13.865 16.462 -29.359 1.00 71.41 H new ATOM 0 HB THR A 11 -15.007 18.269 -27.191 1.00 75.24 H new ATOM 0 HG1 THR A 11 -15.723 19.508 -29.046 1.00 62.30 H new ATOM 0 HG21 THR A 11 -13.554 20.002 -28.174 1.00 75.13 H new ATOM 0 HG22 THR A 11 -12.609 18.634 -27.537 1.00 75.13 H new ATOM 0 HG23 THR A 11 -12.875 18.793 -29.289 1.00 75.13 H new ATOM 188 N LEU A 12 -13.792 15.778 -26.150 1.00 10.53 N ATOM 189 CA LEU A 12 -12.938 15.332 -25.055 1.00 24.45 C ATOM 190 C LEU A 12 -13.159 13.852 -24.759 1.00 20.43 C ATOM 191 O LEU A 12 -14.273 13.429 -24.451 1.00 60.15 O ATOM 192 CB LEU A 12 -13.211 16.161 -23.799 1.00 64.24 C ATOM 193 CG LEU A 12 -12.243 15.955 -22.634 1.00 74.53 C ATOM 194 CD1 LEU A 12 -12.120 17.227 -21.810 1.00 13.05 C ATOM 195 CD2 LEU A 12 -12.697 14.794 -21.762 1.00 70.04 C ATOM 0 H LEU A 12 -14.791 15.749 -25.944 1.00 10.53 H new ATOM 0 HA LEU A 12 -11.900 15.472 -25.357 1.00 24.45 H new ATOM 0 HB2 LEU A 12 -13.197 17.216 -24.074 1.00 64.24 H new ATOM 0 HB3 LEU A 12 -14.219 15.935 -23.451 1.00 64.24 H new ATOM 0 HG LEU A 12 -11.261 15.715 -23.041 1.00 74.53 H new ATOM 0 HD11 LEU A 12 -11.427 17.061 -20.985 1.00 13.05 H new ATOM 0 HD12 LEU A 12 -11.747 18.034 -22.440 1.00 13.05 H new ATOM 0 HD13 LEU A 12 -13.098 17.499 -21.413 1.00 13.05 H new ATOM 0 HD21 LEU A 12 -11.996 14.662 -20.938 1.00 70.04 H new ATOM 0 HD22 LEU A 12 -13.690 15.004 -21.364 1.00 70.04 H new ATOM 0 HD23 LEU A 12 -12.731 13.882 -22.359 1.00 70.04 H new ATOM 207 N LYS A 13 -12.089 13.069 -24.853 1.00 54.31 N ATOM 208 CA LYS A 13 -12.163 11.638 -24.592 1.00 1.32 C ATOM 209 C LYS A 13 -11.031 11.192 -23.672 1.00 1.23 C ATOM 210 O LYS A 13 -9.870 11.148 -24.077 1.00 52.21 O ATOM 211 CB LYS A 13 -12.104 10.855 -25.906 1.00 51.43 C ATOM 212 CG LYS A 13 -13.467 10.615 -26.533 1.00 3.42 C ATOM 213 CD LYS A 13 -14.336 9.728 -25.656 1.00 73.01 C ATOM 214 CE LYS A 13 -15.422 9.037 -26.466 1.00 63.41 C ATOM 215 NZ LYS A 13 -16.235 8.112 -25.628 1.00 44.44 N1+ ATOM 0 H LYS A 13 -11.160 13.403 -25.108 1.00 54.31 H new ATOM 0 HA LYS A 13 -13.112 11.434 -24.096 1.00 1.32 H new ATOM 0 HB2 LYS A 13 -11.478 11.397 -26.615 1.00 51.43 H new ATOM 0 HB3 LYS A 13 -11.622 9.894 -25.725 1.00 51.43 H new ATOM 0 HG2 LYS A 13 -13.967 11.570 -26.695 1.00 3.42 H new ATOM 0 HG3 LYS A 13 -13.342 10.151 -27.511 1.00 3.42 H new ATOM 0 HD2 LYS A 13 -13.715 8.979 -25.165 1.00 73.01 H new ATOM 0 HD3 LYS A 13 -14.793 10.328 -24.869 1.00 73.01 H new ATOM 0 HE2 LYS A 13 -16.073 9.787 -26.915 1.00 63.41 H new ATOM 0 HE3 LYS A 13 -14.966 8.480 -27.284 1.00 63.41 H new ATOM 0 HZ1 LYS A 13 -17.163 7.965 -26.074 1.00 44.44 H new ATOM 0 HZ2 LYS A 13 -15.744 7.199 -25.542 1.00 44.44 H new ATOM 0 HZ3 LYS A 13 -16.366 8.525 -24.683 1.00 44.44 H new ATOM 229 N GLY A 14 -11.377 10.861 -22.431 1.00 54.42 N ATOM 230 CA GLY A 14 -10.379 10.423 -21.475 1.00 2.12 C ATOM 231 C GLY A 14 -10.904 9.354 -20.537 1.00 75.42 C ATOM 232 O GLY A 14 -12.107 9.264 -20.301 1.00 63.11 O ATOM 0 H GLY A 14 -12.331 10.889 -22.072 1.00 54.42 H new ATOM 0 HA2 GLY A 14 -9.512 10.038 -22.011 1.00 2.12 H new ATOM 0 HA3 GLY A 14 -10.039 11.279 -20.892 1.00 2.12 H new ATOM 236 N GLU A 15 -9.998 8.540 -20.003 1.00 72.23 N ATOM 237 CA GLU A 15 -10.379 7.470 -19.089 1.00 3.51 C ATOM 238 C GLU A 15 -9.329 7.290 -17.995 1.00 1.22 C ATOM 239 O GLU A 15 -8.131 7.223 -18.272 1.00 65.14 O ATOM 240 CB GLU A 15 -10.565 6.158 -19.853 1.00 14.14 C ATOM 241 CG GLU A 15 -11.363 6.309 -21.137 1.00 35.14 C ATOM 242 CD GLU A 15 -10.497 6.704 -22.318 1.00 55.32 C ATOM 243 OE1 GLU A 15 -9.315 6.300 -22.348 1.00 22.32 O ATOM 244 OE2 GLU A 15 -10.999 7.417 -23.210 1.00 15.31 O1- ATOM 0 H GLU A 15 -8.997 8.601 -20.188 1.00 72.23 H new ATOM 0 HA GLU A 15 -11.324 7.746 -18.621 1.00 3.51 H new ATOM 0 HB2 GLU A 15 -9.585 5.744 -20.091 1.00 14.14 H new ATOM 0 HB3 GLU A 15 -11.067 5.439 -19.206 1.00 14.14 H new ATOM 0 HG2 GLU A 15 -11.868 5.369 -21.360 1.00 35.14 H new ATOM 0 HG3 GLU A 15 -12.139 7.061 -20.992 1.00 35.14 H new ATOM 251 N THR A 16 -9.788 7.213 -16.749 1.00 21.54 N ATOM 252 CA THR A 16 -8.891 7.043 -15.613 1.00 1.20 C ATOM 253 C THR A 16 -9.440 6.018 -14.628 1.00 52.23 C ATOM 254 O THR A 16 -10.634 6.005 -14.328 1.00 32.01 O ATOM 255 CB THR A 16 -8.660 8.375 -14.875 1.00 21.41 C ATOM 256 OG1 THR A 16 -9.897 8.862 -14.344 1.00 33.41 O ATOM 257 CG2 THR A 16 -8.060 9.414 -15.810 1.00 3.32 C ATOM 0 H THR A 16 -10.776 7.266 -16.502 1.00 21.54 H new ATOM 0 HA THR A 16 -7.941 6.688 -16.011 1.00 1.20 H new ATOM 0 HB THR A 16 -7.960 8.196 -14.059 1.00 21.41 H new ATOM 0 HG1 THR A 16 -9.741 9.708 -13.875 1.00 33.41 H new ATOM 0 HG21 THR A 16 -7.906 10.346 -15.267 1.00 3.32 H new ATOM 0 HG22 THR A 16 -7.104 9.053 -16.190 1.00 3.32 H new ATOM 0 HG23 THR A 16 -8.739 9.588 -16.644 1.00 3.32 H new ATOM 265 N THR A 17 -8.560 5.157 -14.125 1.00 42.53 N ATOM 266 CA THR A 17 -8.956 4.128 -13.173 1.00 1.45 C ATOM 267 C THR A 17 -7.945 4.009 -12.038 1.00 74.25 C ATOM 268 O THR A 17 -6.753 4.248 -12.228 1.00 42.51 O ATOM 269 CB THR A 17 -9.104 2.755 -13.858 1.00 43.21 C ATOM 270 OG1 THR A 17 -9.760 2.907 -15.122 1.00 52.43 O ATOM 271 CG2 THR A 17 -9.895 1.796 -12.983 1.00 13.34 C ATOM 0 H THR A 17 -7.568 5.153 -14.362 1.00 42.53 H new ATOM 0 HA THR A 17 -9.921 4.430 -12.766 1.00 1.45 H new ATOM 0 HB THR A 17 -8.107 2.342 -14.013 1.00 43.21 H new ATOM 0 HG1 THR A 17 -9.573 2.126 -15.684 1.00 52.43 H new ATOM 0 HG21 THR A 17 -9.986 0.834 -13.488 1.00 13.34 H new ATOM 0 HG22 THR A 17 -9.378 1.660 -12.033 1.00 13.34 H new ATOM 0 HG23 THR A 17 -10.889 2.205 -12.800 1.00 13.34 H new ATOM 279 N THR A 18 -8.429 3.638 -10.857 1.00 40.42 N ATOM 280 CA THR A 18 -7.569 3.489 -9.690 1.00 72.45 C ATOM 281 C THR A 18 -8.259 2.680 -8.597 1.00 70.13 C ATOM 282 O THR A 18 -9.485 2.583 -8.567 1.00 43.25 O ATOM 283 CB THR A 18 -7.157 4.857 -9.118 1.00 73.30 C ATOM 284 OG1 THR A 18 -6.186 4.682 -8.079 1.00 32.51 O ATOM 285 CG2 THR A 18 -8.364 5.602 -8.570 1.00 71.22 C ATOM 0 H THR A 18 -9.413 3.435 -10.683 1.00 40.42 H new ATOM 0 HA THR A 18 -6.676 2.958 -10.021 1.00 72.45 H new ATOM 0 HB THR A 18 -6.723 5.446 -9.926 1.00 73.30 H new ATOM 0 HG1 THR A 18 -5.928 5.557 -7.722 1.00 32.51 H new ATOM 0 HG21 THR A 18 -8.047 6.566 -8.172 1.00 71.22 H new ATOM 0 HG22 THR A 18 -9.088 5.760 -9.370 1.00 71.22 H new ATOM 0 HG23 THR A 18 -8.824 5.015 -7.775 1.00 71.22 H new ATOM 293 N GLU A 19 -7.463 2.104 -7.703 1.00 13.01 N ATOM 294 CA GLU A 19 -8.000 1.304 -6.608 1.00 53.14 C ATOM 295 C GLU A 19 -8.553 2.197 -5.502 1.00 63.34 C ATOM 296 O GLU A 19 -8.007 3.263 -5.218 1.00 14.04 O ATOM 297 CB GLU A 19 -6.916 0.383 -6.041 1.00 12.24 C ATOM 298 CG GLU A 19 -6.845 -0.969 -6.730 1.00 52.52 C ATOM 299 CD GLU A 19 -6.202 -0.893 -8.101 1.00 43.01 C ATOM 300 OE1 GLU A 19 -5.641 0.172 -8.433 1.00 34.33 O ATOM 301 OE2 GLU A 19 -6.260 -1.897 -8.841 1.00 40.31 O1- ATOM 0 H GLU A 19 -6.446 2.176 -7.715 1.00 13.01 H new ATOM 0 HA GLU A 19 -8.815 0.696 -7.001 1.00 53.14 H new ATOM 0 HB2 GLU A 19 -5.949 0.877 -6.129 1.00 12.24 H new ATOM 0 HB3 GLU A 19 -7.101 0.230 -4.978 1.00 12.24 H new ATOM 0 HG2 GLU A 19 -6.280 -1.661 -6.106 1.00 52.52 H new ATOM 0 HG3 GLU A 19 -7.851 -1.376 -6.827 1.00 52.52 H new ATOM 308 N ALA A 20 -9.642 1.755 -4.881 1.00 73.01 N ATOM 309 CA ALA A 20 -10.269 2.512 -3.805 1.00 24.33 C ATOM 310 C ALA A 20 -10.427 1.658 -2.552 1.00 50.12 C ATOM 311 O ALA A 20 -10.081 0.477 -2.545 1.00 0.24 O ATOM 312 CB ALA A 20 -11.620 3.048 -4.255 1.00 21.43 C ATOM 0 H ALA A 20 -10.108 0.876 -5.105 1.00 73.01 H new ATOM 0 HA ALA A 20 -9.620 3.353 -3.560 1.00 24.33 H new ATOM 0 HB1 ALA A 20 -12.077 3.611 -3.442 1.00 21.43 H new ATOM 0 HB2 ALA A 20 -11.484 3.701 -5.117 1.00 21.43 H new ATOM 0 HB3 ALA A 20 -12.268 2.216 -4.529 1.00 21.43 H new ATOM 318 N VAL A 21 -10.952 2.264 -1.491 1.00 62.00 N ATOM 319 CA VAL A 21 -11.156 1.558 -0.232 1.00 60.23 C ATOM 320 C VAL A 21 -12.587 1.044 -0.115 1.00 63.31 C ATOM 321 O VAL A 21 -12.838 0.012 0.506 1.00 62.31 O ATOM 322 CB VAL A 21 -10.848 2.464 0.976 1.00 33.45 C ATOM 323 CG1 VAL A 21 -11.871 3.584 1.078 1.00 12.12 C ATOM 324 CG2 VAL A 21 -10.810 1.647 2.258 1.00 32.32 C ATOM 0 H VAL A 21 -11.243 3.241 -1.479 1.00 62.00 H new ATOM 0 HA VAL A 21 -10.468 0.713 -0.228 1.00 60.23 H new ATOM 0 HB VAL A 21 -9.866 2.914 0.830 1.00 33.45 H new ATOM 0 HG11 VAL A 21 -11.637 4.213 1.937 1.00 12.12 H new ATOM 0 HG12 VAL A 21 -11.844 4.185 0.169 1.00 12.12 H new ATOM 0 HG13 VAL A 21 -12.866 3.157 1.201 1.00 12.12 H new ATOM 0 HG21 VAL A 21 -10.591 2.303 3.101 1.00 32.32 H new ATOM 0 HG22 VAL A 21 -11.777 1.167 2.413 1.00 32.32 H new ATOM 0 HG23 VAL A 21 -10.035 0.885 2.181 1.00 32.32 H new ATOM 334 N ASP A 22 -13.521 1.771 -0.718 1.00 14.51 N ATOM 335 CA ASP A 22 -14.927 1.389 -0.684 1.00 72.04 C ATOM 336 C ASP A 22 -15.677 1.966 -1.880 1.00 35.04 C ATOM 337 O ASP A 22 -15.211 2.907 -2.521 1.00 35.31 O ATOM 338 CB ASP A 22 -15.576 1.863 0.617 1.00 62.42 C ATOM 339 CG ASP A 22 -15.111 1.067 1.820 1.00 14.11 C ATOM 340 OD1 ASP A 22 -14.348 1.620 2.640 1.00 44.22 O ATOM 341 OD2 ASP A 22 -15.510 -0.109 1.944 1.00 52.14 O1- ATOM 0 H ASP A 22 -13.329 2.628 -1.236 1.00 14.51 H new ATOM 0 HA ASP A 22 -14.983 0.302 -0.733 1.00 72.04 H new ATOM 0 HB2 ASP A 22 -15.345 2.917 0.771 1.00 62.42 H new ATOM 0 HB3 ASP A 22 -16.660 1.783 0.529 1.00 62.42 H new ATOM 346 N ALA A 23 -16.839 1.394 -2.176 1.00 2.12 N ATOM 347 CA ALA A 23 -17.654 1.852 -3.295 1.00 14.43 C ATOM 348 C ALA A 23 -18.155 3.274 -3.064 1.00 10.12 C ATOM 349 O ALA A 23 -18.247 4.069 -3.998 1.00 2.51 O ATOM 350 CB ALA A 23 -18.825 0.907 -3.517 1.00 21.14 C ATOM 0 H ALA A 23 -17.238 0.612 -1.656 1.00 2.12 H new ATOM 0 HA ALA A 23 -17.030 1.856 -4.189 1.00 14.43 H new ATOM 0 HB1 ALA A 23 -19.425 1.261 -4.355 1.00 21.14 H new ATOM 0 HB2 ALA A 23 -18.449 -0.092 -3.736 1.00 21.14 H new ATOM 0 HB3 ALA A 23 -19.441 0.874 -2.619 1.00 21.14 H new ATOM 356 N ALA A 24 -18.477 3.585 -1.813 1.00 41.32 N ATOM 357 CA ALA A 24 -18.967 4.912 -1.459 1.00 52.32 C ATOM 358 C ALA A 24 -17.817 5.903 -1.315 1.00 3.04 C ATOM 359 O ALA A 24 -17.983 7.102 -1.541 1.00 1.34 O ATOM 360 CB ALA A 24 -19.776 4.850 -0.172 1.00 11.32 C ATOM 0 H ALA A 24 -18.408 2.937 -1.028 1.00 41.32 H new ATOM 0 HA ALA A 24 -19.613 5.260 -2.265 1.00 52.32 H new ATOM 0 HB1 ALA A 24 -20.135 5.848 0.080 1.00 11.32 H new ATOM 0 HB2 ALA A 24 -20.626 4.182 -0.309 1.00 11.32 H new ATOM 0 HB3 ALA A 24 -19.147 4.476 0.636 1.00 11.32 H new ATOM 366 N THR A 25 -16.649 5.394 -0.938 1.00 70.42 N ATOM 367 CA THR A 25 -15.470 6.234 -0.762 1.00 34.03 C ATOM 368 C THR A 25 -14.871 6.630 -2.106 1.00 61.00 C ATOM 369 O THR A 25 -14.294 7.707 -2.245 1.00 73.14 O ATOM 370 CB THR A 25 -14.392 5.522 0.078 1.00 5.30 C ATOM 371 OG1 THR A 25 -14.923 5.171 1.361 1.00 15.25 O ATOM 372 CG2 THR A 25 -13.170 6.410 0.254 1.00 11.43 C ATOM 0 H THR A 25 -16.493 4.404 -0.748 1.00 70.42 H new ATOM 0 HA THR A 25 -15.797 7.130 -0.235 1.00 34.03 H new ATOM 0 HB THR A 25 -14.090 4.617 -0.449 1.00 5.30 H new ATOM 0 HG1 THR A 25 -14.232 4.717 1.888 1.00 15.25 H new ATOM 0 HG21 THR A 25 -12.423 5.886 0.850 1.00 11.43 H new ATOM 0 HG22 THR A 25 -12.751 6.651 -0.723 1.00 11.43 H new ATOM 0 HG23 THR A 25 -13.459 7.330 0.761 1.00 11.43 H new ATOM 380 N ALA A 26 -15.015 5.753 -3.093 1.00 54.42 N ATOM 381 CA ALA A 26 -14.491 6.013 -4.428 1.00 12.11 C ATOM 382 C ALA A 26 -15.445 6.889 -5.232 1.00 53.12 C ATOM 383 O ALA A 26 -15.025 7.613 -6.135 1.00 31.01 O ATOM 384 CB ALA A 26 -14.232 4.703 -5.159 1.00 51.23 C ATOM 0 H ALA A 26 -15.490 4.856 -2.994 1.00 54.42 H new ATOM 0 HA ALA A 26 -13.548 6.550 -4.322 1.00 12.11 H new ATOM 0 HB1 ALA A 26 -13.841 4.913 -6.155 1.00 51.23 H new ATOM 0 HB2 ALA A 26 -13.505 4.112 -4.601 1.00 51.23 H new ATOM 0 HB3 ALA A 26 -15.164 4.144 -5.246 1.00 51.23 H new ATOM 390 N GLU A 27 -16.729 6.819 -4.898 1.00 73.04 N ATOM 391 CA GLU A 27 -17.743 7.606 -5.591 1.00 71.40 C ATOM 392 C GLU A 27 -17.587 9.091 -5.277 1.00 11.11 C ATOM 393 O GLU A 27 -17.603 9.933 -6.175 1.00 0.04 O ATOM 394 CB GLU A 27 -19.144 7.135 -5.197 1.00 72.31 C ATOM 395 CG GLU A 27 -20.256 7.804 -5.987 1.00 42.04 C ATOM 396 CD GLU A 27 -21.619 7.204 -5.699 1.00 71.33 C ATOM 397 OE1 GLU A 27 -22.529 7.963 -5.307 1.00 10.02 O ATOM 398 OE2 GLU A 27 -21.775 5.977 -5.867 1.00 20.54 O1- ATOM 0 H GLU A 27 -17.092 6.226 -4.152 1.00 73.04 H new ATOM 0 HA GLU A 27 -17.608 7.462 -6.663 1.00 71.40 H new ATOM 0 HB2 GLU A 27 -19.208 6.056 -5.338 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -19.298 7.328 -4.135 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -20.274 8.868 -5.751 1.00 42.04 H new ATOM 0 HG3 GLU A 27 -20.043 7.717 -7.052 1.00 42.04 H new ATOM 405 N LYS A 28 -17.436 9.406 -3.995 1.00 10.01 N ATOM 406 CA LYS A 28 -17.276 10.788 -3.559 1.00 10.25 C ATOM 407 C LYS A 28 -16.066 11.433 -4.228 1.00 55.23 C ATOM 408 O LYS A 28 -16.124 12.583 -4.662 1.00 23.34 O ATOM 409 CB LYS A 28 -17.126 10.851 -2.038 1.00 24.34 C ATOM 410 CG LYS A 28 -16.028 9.950 -1.497 1.00 52.51 C ATOM 411 CD LYS A 28 -15.977 9.983 0.021 1.00 61.24 C ATOM 412 CE LYS A 28 -15.370 11.281 0.530 1.00 2.13 C ATOM 413 NZ LYS A 28 -15.731 11.543 1.951 1.00 74.13 N1+ ATOM 0 H LYS A 28 -17.421 8.722 -3.239 1.00 10.01 H new ATOM 0 HA LYS A 28 -18.168 11.341 -3.852 1.00 10.25 H new ATOM 0 HB2 LYS A 28 -16.918 11.880 -1.744 1.00 24.34 H new ATOM 0 HB3 LYS A 28 -18.073 10.573 -1.576 1.00 24.34 H new ATOM 0 HG2 LYS A 28 -16.196 8.927 -1.834 1.00 52.51 H new ATOM 0 HG3 LYS A 28 -15.066 10.265 -1.901 1.00 52.51 H new ATOM 0 HD2 LYS A 28 -16.984 9.869 0.422 1.00 61.24 H new ATOM 0 HD3 LYS A 28 -15.391 9.139 0.385 1.00 61.24 H new ATOM 0 HE2 LYS A 28 -14.285 11.237 0.433 1.00 2.13 H new ATOM 0 HE3 LYS A 28 -15.712 12.110 -0.090 1.00 2.13 H new ATOM 0 HZ1 LYS A 28 -15.298 12.437 2.260 1.00 74.13 H new ATOM 0 HZ2 LYS A 28 -16.765 11.610 2.040 1.00 74.13 H new ATOM 0 HZ3 LYS A 28 -15.382 10.765 2.547 1.00 74.13 H new ATOM 427 N VAL A 29 -14.971 10.683 -4.309 1.00 41.13 N ATOM 428 CA VAL A 29 -13.748 11.181 -4.926 1.00 14.40 C ATOM 429 C VAL A 29 -13.922 11.348 -6.431 1.00 73.51 C ATOM 430 O VAL A 29 -13.735 12.438 -6.972 1.00 24.14 O ATOM 431 CB VAL A 29 -12.560 10.237 -4.659 1.00 33.20 C ATOM 432 CG1 VAL A 29 -11.292 10.781 -5.299 1.00 72.20 C ATOM 433 CG2 VAL A 29 -12.367 10.034 -3.164 1.00 73.11 C ATOM 0 H VAL A 29 -14.906 9.729 -3.955 1.00 41.13 H new ATOM 0 HA VAL A 29 -13.539 12.152 -4.477 1.00 14.40 H new ATOM 0 HB VAL A 29 -12.779 9.269 -5.109 1.00 33.20 H new ATOM 0 HG11 VAL A 29 -10.463 10.101 -5.100 1.00 72.20 H new ATOM 0 HG12 VAL A 29 -11.437 10.871 -6.376 1.00 72.20 H new ATOM 0 HG13 VAL A 29 -11.065 11.762 -4.881 1.00 72.20 H new ATOM 0 HG21 VAL A 29 -11.524 9.365 -2.994 1.00 73.11 H new ATOM 0 HG22 VAL A 29 -12.169 10.995 -2.689 1.00 73.11 H new ATOM 0 HG23 VAL A 29 -13.269 9.597 -2.737 1.00 73.11 H new ATOM 443 N PHE A 30 -14.281 10.260 -7.104 1.00 31.13 N ATOM 444 CA PHE A 30 -14.480 10.286 -8.550 1.00 54.20 C ATOM 445 C PHE A 30 -15.515 11.337 -8.937 1.00 53.23 C ATOM 446 O PHE A 30 -15.491 11.869 -10.047 1.00 31.03 O ATOM 447 CB PHE A 30 -14.923 8.908 -9.049 1.00 40.11 C ATOM 448 CG PHE A 30 -13.778 7.979 -9.338 1.00 32.43 C ATOM 449 CD1 PHE A 30 -13.580 7.481 -10.615 1.00 21.02 C ATOM 450 CD2 PHE A 30 -12.902 7.603 -8.333 1.00 32.20 C ATOM 451 CE1 PHE A 30 -12.528 6.626 -10.885 1.00 24.24 C ATOM 452 CE2 PHE A 30 -11.849 6.749 -8.597 1.00 1.05 C ATOM 453 CZ PHE A 30 -11.661 6.260 -9.874 1.00 12.32 C ATOM 0 H PHE A 30 -14.440 9.350 -6.673 1.00 31.13 H new ATOM 0 HA PHE A 30 -13.531 10.547 -9.019 1.00 54.20 H new ATOM 0 HB2 PHE A 30 -15.572 8.451 -8.302 1.00 40.11 H new ATOM 0 HB3 PHE A 30 -15.517 9.032 -9.954 1.00 40.11 H new ATOM 0 HD1 PHE A 30 -14.255 7.764 -11.409 1.00 21.02 H new ATOM 0 HD2 PHE A 30 -13.044 7.982 -7.332 1.00 32.20 H new ATOM 0 HE1 PHE A 30 -12.384 6.245 -11.885 1.00 24.24 H new ATOM 0 HE2 PHE A 30 -11.173 6.464 -7.804 1.00 1.05 H new ATOM 0 HZ PHE A 30 -10.838 5.593 -10.082 1.00 12.32 H new ATOM 463 N LYS A 31 -16.426 11.631 -8.015 1.00 3.11 N ATOM 464 CA LYS A 31 -17.470 12.619 -8.257 1.00 43.23 C ATOM 465 C LYS A 31 -16.871 14.009 -8.448 1.00 44.53 C ATOM 466 O LYS A 31 -17.354 14.796 -9.262 1.00 34.13 O ATOM 467 CB LYS A 31 -18.465 12.635 -7.094 1.00 74.45 C ATOM 468 CG LYS A 31 -19.467 13.774 -7.169 1.00 54.22 C ATOM 469 CD LYS A 31 -20.380 13.792 -5.953 1.00 4.42 C ATOM 470 CE LYS A 31 -21.014 15.160 -5.754 1.00 24.34 C ATOM 471 NZ LYS A 31 -21.473 15.361 -4.352 1.00 73.33 N1+ ATOM 0 H LYS A 31 -16.462 11.198 -7.092 1.00 3.11 H new ATOM 0 HA LYS A 31 -17.994 12.341 -9.171 1.00 43.23 H new ATOM 0 HB2 LYS A 31 -19.004 11.688 -7.075 1.00 74.45 H new ATOM 0 HB3 LYS A 31 -17.914 12.707 -6.156 1.00 74.45 H new ATOM 0 HG2 LYS A 31 -18.936 14.723 -7.241 1.00 54.22 H new ATOM 0 HG3 LYS A 31 -20.066 13.674 -8.074 1.00 54.22 H new ATOM 0 HD2 LYS A 31 -21.161 13.041 -6.072 1.00 4.42 H new ATOM 0 HD3 LYS A 31 -19.810 13.521 -5.064 1.00 4.42 H new ATOM 0 HE2 LYS A 31 -20.294 15.935 -6.015 1.00 24.34 H new ATOM 0 HE3 LYS A 31 -21.860 15.270 -6.432 1.00 24.34 H new ATOM 0 HZ1 LYS A 31 -21.899 16.305 -4.258 1.00 73.33 H new ATOM 0 HZ2 LYS A 31 -22.179 14.637 -4.111 1.00 73.33 H new ATOM 0 HZ3 LYS A 31 -20.662 15.282 -3.706 1.00 73.33 H new ATOM 485 N GLN A 32 -15.817 14.302 -7.692 1.00 54.40 N ATOM 486 CA GLN A 32 -15.153 15.597 -7.780 1.00 54.13 C ATOM 487 C GLN A 32 -14.077 15.586 -8.861 1.00 51.02 C ATOM 488 O GLN A 32 -13.678 16.636 -9.364 1.00 60.30 O ATOM 489 CB GLN A 32 -14.534 15.968 -6.431 1.00 62.04 C ATOM 490 CG GLN A 32 -13.624 17.184 -6.493 1.00 65.45 C ATOM 491 CD GLN A 32 -12.989 17.507 -5.155 1.00 3.31 C ATOM 492 OE1 GLN A 32 -12.995 18.657 -4.713 1.00 21.30 O ATOM 493 NE2 GLN A 32 -12.436 16.492 -4.501 1.00 53.31 N ATOM 0 H GLN A 32 -15.406 13.661 -7.013 1.00 54.40 H new ATOM 0 HA GLN A 32 -15.901 16.343 -8.047 1.00 54.13 H new ATOM 0 HB2 GLN A 32 -15.333 16.159 -5.714 1.00 62.04 H new ATOM 0 HB3 GLN A 32 -13.965 15.117 -6.056 1.00 62.04 H new ATOM 0 HG2 GLN A 32 -12.840 17.009 -7.230 1.00 65.45 H new ATOM 0 HG3 GLN A 32 -14.198 18.045 -6.836 1.00 65.45 H new ATOM 0 HE21 GLN A 32 -12.454 15.555 -4.904 1.00 53.31 H new ATOM 0 HE22 GLN A 32 -11.994 16.649 -3.596 1.00 53.31 H new ATOM 502 N TYR A 33 -13.612 14.392 -9.212 1.00 2.51 N ATOM 503 CA TYR A 33 -12.580 14.244 -10.231 1.00 11.02 C ATOM 504 C TYR A 33 -12.955 15.004 -11.500 1.00 42.13 C ATOM 505 O TYR A 33 -12.229 15.896 -11.940 1.00 63.24 O ATOM 506 CB TYR A 33 -12.361 12.766 -10.554 1.00 15.35 C ATOM 507 CG TYR A 33 -11.136 12.175 -9.894 1.00 61.10 C ATOM 508 CD1 TYR A 33 -10.854 12.429 -8.557 1.00 41.15 C ATOM 509 CD2 TYR A 33 -10.261 11.365 -10.606 1.00 53.51 C ATOM 510 CE1 TYR A 33 -9.735 11.892 -7.949 1.00 23.03 C ATOM 511 CE2 TYR A 33 -9.140 10.823 -10.006 1.00 50.10 C ATOM 512 CZ TYR A 33 -8.881 11.091 -8.678 1.00 54.23 C ATOM 513 OH TYR A 33 -7.766 10.554 -8.076 1.00 42.34 O ATOM 0 H TYR A 33 -13.933 13.513 -8.806 1.00 2.51 H new ATOM 0 HA TYR A 33 -11.654 14.664 -9.838 1.00 11.02 H new ATOM 0 HB2 TYR A 33 -13.239 12.201 -10.242 1.00 15.35 H new ATOM 0 HB3 TYR A 33 -12.273 12.648 -11.634 1.00 15.35 H new ATOM 0 HD1 TYR A 33 -11.520 13.056 -7.984 1.00 41.15 H new ATOM 0 HD2 TYR A 33 -10.460 11.155 -11.647 1.00 53.51 H new ATOM 0 HE1 TYR A 33 -9.530 12.098 -6.909 1.00 23.03 H new ATOM 0 HE2 TYR A 33 -8.471 10.193 -10.574 1.00 50.10 H new ATOM 0 HH TYR A 33 -7.271 10.014 -8.727 1.00 42.34 H new ATOM 523 N PHE A 34 -14.093 14.644 -12.083 1.00 42.53 N ATOM 524 CA PHE A 34 -14.566 15.291 -13.302 1.00 12.11 C ATOM 525 C PHE A 34 -15.114 16.683 -13.001 1.00 72.21 C ATOM 526 O PHE A 34 -15.168 17.543 -13.879 1.00 45.01 O ATOM 527 CB PHE A 34 -15.646 14.439 -13.970 1.00 1.31 C ATOM 528 CG PHE A 34 -16.979 14.511 -13.280 1.00 2.03 C ATOM 529 CD1 PHE A 34 -17.898 15.490 -13.622 1.00 62.13 C ATOM 530 CD2 PHE A 34 -17.312 13.601 -12.290 1.00 32.51 C ATOM 531 CE1 PHE A 34 -19.126 15.559 -12.990 1.00 32.44 C ATOM 532 CE2 PHE A 34 -18.537 13.665 -11.655 1.00 32.40 C ATOM 533 CZ PHE A 34 -19.445 14.646 -12.004 1.00 11.44 C ATOM 0 H PHE A 34 -14.705 13.908 -11.732 1.00 42.53 H new ATOM 0 HA PHE A 34 -13.720 15.392 -13.982 1.00 12.11 H new ATOM 0 HB2 PHE A 34 -15.764 14.761 -15.005 1.00 1.31 H new ATOM 0 HB3 PHE A 34 -15.315 13.401 -13.995 1.00 1.31 H new ATOM 0 HD1 PHE A 34 -17.652 16.207 -14.391 1.00 62.13 H new ATOM 0 HD2 PHE A 34 -16.606 12.833 -12.012 1.00 32.51 H new ATOM 0 HE1 PHE A 34 -19.835 16.326 -13.267 1.00 32.44 H new ATOM 0 HE2 PHE A 34 -18.785 12.948 -10.886 1.00 32.40 H new ATOM 0 HZ PHE A 34 -20.402 14.699 -11.507 1.00 11.44 H new ATOM 543 N ASN A 35 -15.519 16.896 -11.754 1.00 73.45 N ATOM 544 CA ASN A 35 -16.064 18.184 -11.337 1.00 33.25 C ATOM 545 C ASN A 35 -15.125 19.322 -11.720 1.00 1.54 C ATOM 546 O ASN A 35 -15.559 20.355 -12.230 1.00 24.15 O ATOM 547 CB ASN A 35 -16.305 18.193 -9.826 1.00 33.43 C ATOM 548 CG ASN A 35 -17.112 19.396 -9.377 1.00 42.23 C ATOM 549 OD1 ASN A 35 -17.841 19.998 -10.166 1.00 2.52 O ATOM 550 ND2 ASN A 35 -16.986 19.751 -8.104 1.00 32.14 N ATOM 0 H ASN A 35 -15.481 16.195 -11.014 1.00 73.45 H new ATOM 0 HA ASN A 35 -17.014 18.332 -11.851 1.00 33.25 H new ATOM 0 HB2 ASN A 35 -16.827 17.281 -9.539 1.00 33.43 H new ATOM 0 HB3 ASN A 35 -15.346 18.188 -9.308 1.00 33.43 H new ATOM 0 HD21 ASN A 35 -17.505 20.552 -7.744 1.00 32.14 H new ATOM 0 HD22 ASN A 35 -16.370 19.223 -7.486 1.00 32.14 H new ATOM 557 N ASP A 36 -13.834 19.126 -11.472 1.00 44.34 N ATOM 558 CA ASP A 36 -12.832 20.135 -11.793 1.00 21.30 C ATOM 559 C ASP A 36 -12.739 20.350 -13.301 1.00 70.33 C ATOM 560 O ASP A 36 -12.381 21.432 -13.762 1.00 55.04 O ATOM 561 CB ASP A 36 -11.467 19.723 -11.239 1.00 43.24 C ATOM 562 CG ASP A 36 -11.453 19.651 -9.725 1.00 4.41 C ATOM 563 OD1 ASP A 36 -12.232 20.391 -9.088 1.00 2.20 O ATOM 564 OD2 ASP A 36 -10.665 18.853 -9.177 1.00 61.40 O1- ATOM 0 H ASP A 36 -13.457 18.277 -11.050 1.00 44.34 H new ATOM 0 HA ASP A 36 -13.136 21.073 -11.329 1.00 21.30 H new ATOM 0 HB2 ASP A 36 -11.191 18.751 -11.648 1.00 43.24 H new ATOM 0 HB3 ASP A 36 -10.713 20.436 -11.573 1.00 43.24 H new ATOM 569 N ASN A 37 -13.065 19.311 -14.062 1.00 62.30 N ATOM 570 CA ASN A 37 -13.018 19.385 -15.517 1.00 65.45 C ATOM 571 C ASN A 37 -14.155 20.248 -16.055 1.00 70.24 C ATOM 572 O ASN A 37 -14.112 20.712 -17.194 1.00 53.41 O ATOM 573 CB ASN A 37 -13.096 17.982 -16.124 1.00 52.22 C ATOM 574 CG ASN A 37 -12.504 17.922 -17.518 1.00 53.40 C ATOM 575 OD1 ASN A 37 -11.783 16.845 -17.809 1.00 51.53 O flip ATOM 576 ND2 ASN A 37 -12.694 18.832 -18.326 1.00 45.32 N flip ATOM 0 H ASN A 37 -13.365 18.408 -13.695 1.00 62.30 H new ATOM 0 HA ASN A 37 -12.071 19.844 -15.801 1.00 65.45 H new ATOM 0 HB2 ASN A 37 -12.569 17.280 -15.478 1.00 52.22 H new ATOM 0 HB3 ASN A 37 -14.137 17.662 -16.160 1.00 52.22 H new ATOM 0 HD21 ASN A 37 -13.255 19.641 -18.060 1.00 45.32 H new ATOM 0 HD22 ASN A 37 -12.291 18.776 -19.261 1.00 45.32 H new ATOM 583 N GLY A 38 -15.173 20.461 -15.227 1.00 54.05 N ATOM 584 CA GLY A 38 -16.308 21.267 -15.636 1.00 5.14 C ATOM 585 C GLY A 38 -17.096 20.629 -16.762 1.00 54.24 C ATOM 586 O GLY A 38 -17.551 21.316 -17.677 1.00 71.03 O ATOM 0 H GLY A 38 -15.232 20.089 -14.279 1.00 54.05 H new ATOM 0 HA2 GLY A 38 -16.965 21.424 -14.781 1.00 5.14 H new ATOM 0 HA3 GLY A 38 -15.957 22.249 -15.953 1.00 5.14 H new ATOM 590 N ILE A 39 -17.259 19.312 -16.695 1.00 60.34 N ATOM 591 CA ILE A 39 -17.998 18.581 -17.717 1.00 44.40 C ATOM 592 C ILE A 39 -19.479 18.489 -17.365 1.00 2.10 C ATOM 593 O ILE A 39 -19.850 17.895 -16.353 1.00 10.14 O ATOM 594 CB ILE A 39 -17.438 17.159 -17.909 1.00 24.24 C ATOM 595 CG1 ILE A 39 -15.959 17.218 -18.296 1.00 3.03 C ATOM 596 CG2 ILE A 39 -18.238 16.413 -18.966 1.00 53.24 C ATOM 597 CD1 ILE A 39 -15.243 15.894 -18.150 1.00 35.53 C ATOM 0 H ILE A 39 -16.889 18.729 -15.944 1.00 60.34 H new ATOM 0 HA ILE A 39 -17.882 19.137 -18.648 1.00 44.40 H new ATOM 0 HB ILE A 39 -17.526 16.619 -16.966 1.00 24.24 H new ATOM 0 HG12 ILE A 39 -15.875 17.555 -19.329 1.00 3.03 H new ATOM 0 HG13 ILE A 39 -15.459 17.962 -17.676 1.00 3.03 H new ATOM 0 HG21 ILE A 39 -17.830 15.410 -19.090 1.00 53.24 H new ATOM 0 HG22 ILE A 39 -19.280 16.345 -18.653 1.00 53.24 H new ATOM 0 HG23 ILE A 39 -18.178 16.949 -19.913 1.00 53.24 H new ATOM 0 HD11 ILE A 39 -14.199 16.011 -18.442 1.00 35.53 H new ATOM 0 HD12 ILE A 39 -15.295 15.565 -17.112 1.00 35.53 H new ATOM 0 HD13 ILE A 39 -15.718 15.151 -18.791 1.00 35.53 H new ATOM 609 N ASP A 40 -20.320 19.078 -18.208 1.00 20.35 N ATOM 610 CA ASP A 40 -21.761 19.061 -17.986 1.00 53.35 C ATOM 611 C ASP A 40 -22.413 17.910 -18.747 1.00 4.11 C ATOM 612 O ASP A 40 -22.200 17.746 -19.948 1.00 0.33 O ATOM 613 CB ASP A 40 -22.381 20.391 -18.419 1.00 31.23 C ATOM 614 CG ASP A 40 -21.648 21.586 -17.843 1.00 31.21 C ATOM 615 OD1 ASP A 40 -22.156 22.182 -16.869 1.00 21.22 O ATOM 616 OD2 ASP A 40 -20.564 21.925 -18.364 1.00 71.32 O1- ATOM 0 H ASP A 40 -20.029 19.573 -19.051 1.00 20.35 H new ATOM 0 HA ASP A 40 -21.939 18.916 -16.920 1.00 53.35 H new ATOM 0 HB2 ASP A 40 -22.374 20.454 -19.507 1.00 31.23 H new ATOM 0 HB3 ASP A 40 -23.424 20.422 -18.104 1.00 31.23 H new ATOM 621 N GLY A 41 -23.210 17.115 -18.039 1.00 55.40 N ATOM 622 CA GLY A 41 -23.879 15.989 -18.663 1.00 14.51 C ATOM 623 C GLY A 41 -24.438 15.011 -17.649 1.00 22.14 C ATOM 624 O GLY A 41 -24.470 15.300 -16.454 1.00 52.24 O ATOM 0 H GLY A 41 -23.404 17.231 -17.044 1.00 55.40 H new ATOM 0 HA2 GLY A 41 -24.689 16.356 -19.294 1.00 14.51 H new ATOM 0 HA3 GLY A 41 -23.177 15.469 -19.315 1.00 14.51 H new ATOM 628 N GLU A 42 -24.880 13.853 -18.127 1.00 22.23 N ATOM 629 CA GLU A 42 -25.443 12.830 -17.253 1.00 24.32 C ATOM 630 C GLU A 42 -24.337 12.047 -16.551 1.00 40.41 C ATOM 631 O GLU A 42 -23.795 11.089 -17.102 1.00 44.00 O ATOM 632 CB GLU A 42 -26.331 11.876 -18.053 1.00 74.13 C ATOM 633 CG GLU A 42 -27.005 10.814 -17.200 1.00 15.41 C ATOM 634 CD GLU A 42 -27.466 9.619 -18.013 1.00 64.42 C ATOM 635 OE1 GLU A 42 -28.211 9.822 -18.995 1.00 3.52 O ATOM 636 OE2 GLU A 42 -27.081 8.482 -17.668 1.00 15.41 O1- ATOM 0 H GLU A 42 -24.859 13.599 -19.115 1.00 22.23 H new ATOM 0 HA GLU A 42 -26.049 13.328 -16.496 1.00 24.32 H new ATOM 0 HB2 GLU A 42 -27.096 12.454 -18.571 1.00 74.13 H new ATOM 0 HB3 GLU A 42 -25.728 11.387 -18.818 1.00 74.13 H new ATOM 0 HG2 GLU A 42 -26.311 10.478 -16.429 1.00 15.41 H new ATOM 0 HG3 GLU A 42 -27.862 11.253 -16.689 1.00 15.41 H new ATOM 643 N TRP A 43 -24.009 12.461 -15.333 1.00 74.03 N ATOM 644 CA TRP A 43 -22.968 11.798 -14.555 1.00 72.23 C ATOM 645 C TRP A 43 -23.576 10.842 -13.534 1.00 53.32 C ATOM 646 O TRP A 43 -24.418 11.234 -12.726 1.00 73.03 O ATOM 647 CB TRP A 43 -22.095 12.835 -13.845 1.00 52.43 C ATOM 648 CG TRP A 43 -22.882 13.816 -13.029 1.00 72.22 C ATOM 649 CD1 TRP A 43 -23.405 15.003 -13.457 1.00 3.11 C ATOM 650 CD2 TRP A 43 -23.235 13.694 -11.648 1.00 61.32 C ATOM 651 NE1 TRP A 43 -24.060 15.628 -12.423 1.00 72.22 N ATOM 652 CE2 TRP A 43 -23.972 14.845 -11.303 1.00 75.21 C ATOM 653 CE3 TRP A 43 -23.002 12.725 -10.669 1.00 15.44 C ATOM 654 CZ2 TRP A 43 -24.475 15.050 -10.020 1.00 14.53 C ATOM 655 CZ3 TRP A 43 -23.502 12.930 -9.396 1.00 63.13 C ATOM 656 CH2 TRP A 43 -24.231 14.084 -9.082 1.00 31.13 C ATOM 0 H TRP A 43 -24.448 13.252 -14.862 1.00 74.03 H new ATOM 0 HA TRP A 43 -22.349 11.220 -15.241 1.00 72.23 H new ATOM 0 HB2 TRP A 43 -21.386 12.320 -13.197 1.00 52.43 H new ATOM 0 HB3 TRP A 43 -21.511 13.378 -14.588 1.00 52.43 H new ATOM 0 HD1 TRP A 43 -23.317 15.393 -14.460 1.00 3.11 H new ATOM 0 HE1 TRP A 43 -24.535 16.529 -12.481 1.00 72.22 H new ATOM 0 HE3 TRP A 43 -22.441 11.832 -10.902 1.00 15.44 H new ATOM 0 HZ2 TRP A 43 -25.037 15.939 -9.775 1.00 14.53 H new ATOM 0 HZ3 TRP A 43 -23.327 12.188 -8.631 1.00 63.13 H new ATOM 0 HH2 TRP A 43 -24.608 14.214 -8.079 1.00 31.13 H new ATOM 667 N THR A 44 -23.143 9.586 -13.575 1.00 63.42 N ATOM 668 CA THR A 44 -23.646 8.574 -12.655 1.00 74.13 C ATOM 669 C THR A 44 -22.660 7.421 -12.515 1.00 30.20 C ATOM 670 O THR A 44 -21.668 7.347 -13.239 1.00 74.04 O ATOM 671 CB THR A 44 -25.006 8.018 -13.118 1.00 73.40 C ATOM 672 OG1 THR A 44 -25.068 8.007 -14.550 1.00 32.24 O ATOM 673 CG2 THR A 44 -26.150 8.854 -12.564 1.00 35.45 C ATOM 0 H THR A 44 -22.445 9.245 -14.236 1.00 63.42 H new ATOM 0 HA THR A 44 -23.772 9.061 -11.688 1.00 74.13 H new ATOM 0 HB THR A 44 -25.105 7.000 -12.741 1.00 73.40 H new ATOM 0 HG1 THR A 44 -25.935 7.651 -14.837 1.00 32.24 H new ATOM 0 HG21 THR A 44 -27.100 8.442 -12.905 1.00 35.45 H new ATOM 0 HG22 THR A 44 -26.118 8.839 -11.475 1.00 35.45 H new ATOM 0 HG23 THR A 44 -26.053 9.881 -12.915 1.00 35.45 H new ATOM 681 N TYR A 45 -22.939 6.521 -11.578 1.00 54.15 N ATOM 682 CA TYR A 45 -22.075 5.371 -11.341 1.00 42.10 C ATOM 683 C TYR A 45 -22.735 4.084 -11.826 1.00 71.14 C ATOM 684 O TYR A 45 -23.847 3.749 -11.415 1.00 24.54 O ATOM 685 CB TYR A 45 -21.740 5.255 -9.853 1.00 34.31 C ATOM 686 CG TYR A 45 -22.945 5.381 -8.949 1.00 43.04 C ATOM 687 CD1 TYR A 45 -23.376 6.624 -8.502 1.00 14.35 C ATOM 688 CD2 TYR A 45 -23.654 4.257 -8.542 1.00 20.21 C ATOM 689 CE1 TYR A 45 -24.477 6.744 -7.677 1.00 10.11 C ATOM 690 CE2 TYR A 45 -24.757 4.368 -7.718 1.00 25.54 C ATOM 691 CZ TYR A 45 -25.164 5.613 -7.287 1.00 41.33 C ATOM 692 OH TYR A 45 -26.261 5.727 -6.464 1.00 2.25 O ATOM 0 H TYR A 45 -23.757 6.566 -10.970 1.00 54.15 H new ATOM 0 HA TYR A 45 -21.153 5.520 -11.904 1.00 42.10 H new ATOM 0 HB2 TYR A 45 -21.259 4.294 -9.671 1.00 34.31 H new ATOM 0 HB3 TYR A 45 -21.017 6.028 -9.591 1.00 34.31 H new ATOM 0 HD1 TYR A 45 -22.841 7.512 -8.805 1.00 14.35 H new ATOM 0 HD2 TYR A 45 -23.337 3.280 -8.876 1.00 20.21 H new ATOM 0 HE1 TYR A 45 -24.798 7.718 -7.339 1.00 10.11 H new ATOM 0 HE2 TYR A 45 -25.298 3.484 -7.413 1.00 25.54 H new ATOM 0 HH TYR A 45 -26.630 4.837 -6.286 1.00 2.25 H new ATOM 702 N ASP A 46 -22.042 3.366 -12.704 1.00 32.11 N ATOM 703 CA ASP A 46 -22.559 2.114 -13.245 1.00 22.14 C ATOM 704 C ASP A 46 -22.529 1.012 -12.190 1.00 62.51 C ATOM 705 O ASP A 46 -21.460 0.612 -11.727 1.00 34.35 O ATOM 706 CB ASP A 46 -21.747 1.689 -14.469 1.00 13.44 C ATOM 707 CG ASP A 46 -21.884 2.662 -15.622 1.00 75.02 C ATOM 708 OD1 ASP A 46 -22.566 3.695 -15.449 1.00 21.21 O ATOM 709 OD2 ASP A 46 -21.310 2.393 -16.698 1.00 71.21 O1- ATOM 0 H ASP A 46 -21.122 3.629 -13.056 1.00 32.11 H new ATOM 0 HA ASP A 46 -23.594 2.276 -13.545 1.00 22.14 H new ATOM 0 HB2 ASP A 46 -20.696 1.604 -14.192 1.00 13.44 H new ATOM 0 HB3 ASP A 46 -22.073 0.700 -14.792 1.00 13.44 H new ATOM 714 N ASP A 47 -23.707 0.526 -11.815 1.00 64.12 N ATOM 715 CA ASP A 47 -23.814 -0.530 -10.815 1.00 34.13 C ATOM 716 C ASP A 47 -23.164 -1.817 -11.312 1.00 51.31 C ATOM 717 O ASP A 47 -22.767 -2.669 -10.519 1.00 32.42 O ATOM 718 CB ASP A 47 -25.283 -0.786 -10.470 1.00 13.34 C ATOM 719 CG ASP A 47 -25.457 -1.937 -9.499 1.00 25.23 C ATOM 720 OD1 ASP A 47 -25.862 -3.032 -9.943 1.00 22.50 O ATOM 721 OD2 ASP A 47 -25.188 -1.742 -8.295 1.00 33.41 O1- ATOM 0 H ASP A 47 -24.601 0.846 -12.188 1.00 64.12 H new ATOM 0 HA ASP A 47 -23.289 -0.202 -9.918 1.00 34.13 H new ATOM 0 HB2 ASP A 47 -25.715 0.117 -10.039 1.00 13.34 H new ATOM 0 HB3 ASP A 47 -25.836 -0.999 -11.385 1.00 13.34 H new ATOM 726 N ALA A 48 -23.061 -1.952 -12.630 1.00 3.34 N ATOM 727 CA ALA A 48 -22.458 -3.134 -13.232 1.00 34.15 C ATOM 728 C ALA A 48 -21.088 -3.421 -12.626 1.00 2.20 C ATOM 729 O ALA A 48 -20.935 -4.339 -11.819 1.00 13.04 O ATOM 730 CB ALA A 48 -22.344 -2.959 -14.739 1.00 54.35 C ATOM 0 H ALA A 48 -23.388 -1.257 -13.301 1.00 3.34 H new ATOM 0 HA ALA A 48 -23.104 -3.987 -13.024 1.00 34.15 H new ATOM 0 HB1 ALA A 48 -21.892 -3.850 -15.176 1.00 54.35 H new ATOM 0 HB2 ALA A 48 -23.337 -2.810 -15.164 1.00 54.35 H new ATOM 0 HB3 ALA A 48 -21.722 -2.091 -14.959 1.00 54.35 H new ATOM 736 N THR A 49 -20.094 -2.632 -13.020 1.00 23.03 N ATOM 737 CA THR A 49 -18.737 -2.802 -12.517 1.00 44.42 C ATOM 738 C THR A 49 -18.233 -1.528 -11.850 1.00 24.42 C ATOM 739 O THR A 49 -17.043 -1.220 -11.893 1.00 72.25 O ATOM 740 CB THR A 49 -17.765 -3.196 -13.646 1.00 65.43 C ATOM 741 OG1 THR A 49 -17.524 -2.070 -14.498 1.00 3.21 O ATOM 742 CG2 THR A 49 -18.325 -4.348 -14.465 1.00 35.54 C ATOM 0 H THR A 49 -20.204 -1.868 -13.687 1.00 23.03 H new ATOM 0 HA THR A 49 -18.772 -3.604 -11.780 1.00 44.42 H new ATOM 0 HB THR A 49 -16.827 -3.517 -13.193 1.00 65.43 H new ATOM 0 HG1 THR A 49 -16.904 -2.327 -15.212 1.00 3.21 H new ATOM 0 HG21 THR A 49 -17.621 -4.608 -15.256 1.00 35.54 H new ATOM 0 HG22 THR A 49 -18.480 -5.212 -13.819 1.00 35.54 H new ATOM 0 HG23 THR A 49 -19.275 -4.051 -14.908 1.00 35.54 H new ATOM 750 N LYS A 50 -19.148 -0.789 -11.230 1.00 22.21 N ATOM 751 CA LYS A 50 -18.797 0.453 -10.550 1.00 54.01 C ATOM 752 C LYS A 50 -18.008 1.373 -11.473 1.00 13.24 C ATOM 753 O LYS A 50 -16.988 1.941 -11.080 1.00 60.42 O ATOM 754 CB LYS A 50 -17.982 0.155 -9.290 1.00 74.11 C ATOM 755 CG LYS A 50 -18.551 -0.975 -8.449 1.00 70.41 C ATOM 756 CD LYS A 50 -19.934 -0.634 -7.920 1.00 60.23 C ATOM 757 CE LYS A 50 -19.870 0.439 -6.844 1.00 12.31 C ATOM 758 NZ LYS A 50 -21.214 0.742 -6.280 1.00 22.44 N1+ ATOM 0 H LYS A 50 -20.138 -1.029 -11.185 1.00 22.21 H new ATOM 0 HA LYS A 50 -19.721 0.957 -10.267 1.00 54.01 H new ATOM 0 HB2 LYS A 50 -16.962 -0.097 -9.579 1.00 74.11 H new ATOM 0 HB3 LYS A 50 -17.927 1.057 -8.681 1.00 74.11 H new ATOM 0 HG2 LYS A 50 -18.603 -1.885 -9.047 1.00 70.41 H new ATOM 0 HG3 LYS A 50 -17.882 -1.181 -7.614 1.00 70.41 H new ATOM 0 HD2 LYS A 50 -20.564 -0.291 -8.741 1.00 60.23 H new ATOM 0 HD3 LYS A 50 -20.401 -1.531 -7.513 1.00 60.23 H new ATOM 0 HE2 LYS A 50 -19.206 0.111 -6.044 1.00 12.31 H new ATOM 0 HE3 LYS A 50 -19.439 1.348 -7.263 1.00 12.31 H new ATOM 0 HZ1 LYS A 50 -21.142 1.547 -5.625 1.00 22.44 H new ATOM 0 HZ2 LYS A 50 -21.869 0.981 -7.052 1.00 22.44 H new ATOM 0 HZ3 LYS A 50 -21.571 -0.090 -5.768 1.00 22.44 H new ATOM 772 N THR A 51 -18.484 1.520 -12.706 1.00 5.13 N ATOM 773 CA THR A 51 -17.823 2.374 -13.685 1.00 62.03 C ATOM 774 C THR A 51 -18.546 3.709 -13.829 1.00 61.41 C ATOM 775 O THR A 51 -19.734 3.752 -14.148 1.00 75.14 O ATOM 776 CB THR A 51 -17.750 1.692 -15.065 1.00 12.24 C ATOM 777 OG1 THR A 51 -17.052 0.446 -14.959 1.00 41.30 O ATOM 778 CG2 THR A 51 -17.048 2.588 -16.074 1.00 45.45 C ATOM 0 H THR A 51 -19.326 1.058 -13.050 1.00 5.13 H new ATOM 0 HA THR A 51 -16.811 2.550 -13.319 1.00 62.03 H new ATOM 0 HB THR A 51 -18.768 1.510 -15.411 1.00 12.24 H new ATOM 0 HG1 THR A 51 -17.688 -0.268 -14.744 1.00 41.30 H new ATOM 0 HG21 THR A 51 -17.008 2.086 -17.041 1.00 45.45 H new ATOM 0 HG22 THR A 51 -17.598 3.524 -16.174 1.00 45.45 H new ATOM 0 HG23 THR A 51 -16.034 2.797 -15.732 1.00 45.45 H new ATOM 786 N PHE A 52 -17.820 4.796 -13.590 1.00 75.33 N ATOM 787 CA PHE A 52 -18.393 6.134 -13.693 1.00 62.31 C ATOM 788 C PHE A 52 -18.386 6.620 -15.140 1.00 33.05 C ATOM 789 O PHE A 52 -17.358 6.574 -15.817 1.00 14.21 O ATOM 790 CB PHE A 52 -17.615 7.113 -12.810 1.00 44.53 C ATOM 791 CG PHE A 52 -18.398 8.342 -12.446 1.00 0.11 C ATOM 792 CD1 PHE A 52 -19.370 8.294 -11.462 1.00 32.13 C ATOM 793 CD2 PHE A 52 -18.160 9.547 -13.089 1.00 52.53 C ATOM 794 CE1 PHE A 52 -20.092 9.424 -11.123 1.00 70.23 C ATOM 795 CE2 PHE A 52 -18.878 10.679 -12.756 1.00 42.45 C ATOM 796 CZ PHE A 52 -19.846 10.618 -11.773 1.00 22.23 C ATOM 0 H PHE A 52 -16.835 4.777 -13.324 1.00 75.33 H new ATOM 0 HA PHE A 52 -19.427 6.087 -13.350 1.00 62.31 H new ATOM 0 HB2 PHE A 52 -17.309 6.603 -11.897 1.00 44.53 H new ATOM 0 HB3 PHE A 52 -16.704 7.412 -13.328 1.00 44.53 H new ATOM 0 HD1 PHE A 52 -19.567 7.362 -10.952 1.00 32.13 H new ATOM 0 HD2 PHE A 52 -17.405 9.601 -13.859 1.00 52.53 H new ATOM 0 HE1 PHE A 52 -20.846 9.373 -10.352 1.00 70.23 H new ATOM 0 HE2 PHE A 52 -18.682 11.612 -13.264 1.00 42.45 H new ATOM 0 HZ PHE A 52 -20.410 11.502 -11.513 1.00 22.23 H new ATOM 806 N THR A 53 -19.541 7.084 -15.607 1.00 44.51 N ATOM 807 CA THR A 53 -19.669 7.576 -16.973 1.00 4.44 C ATOM 808 C THR A 53 -20.400 8.913 -17.009 1.00 31.34 C ATOM 809 O THR A 53 -21.264 9.181 -16.175 1.00 4.23 O ATOM 810 CB THR A 53 -20.420 6.569 -17.865 1.00 54.11 C ATOM 811 OG1 THR A 53 -19.994 5.236 -17.563 1.00 65.42 O ATOM 812 CG2 THR A 53 -20.176 6.864 -19.338 1.00 60.43 C ATOM 0 H THR A 53 -20.401 7.129 -15.060 1.00 44.51 H new ATOM 0 HA THR A 53 -18.658 7.707 -17.358 1.00 4.44 H new ATOM 0 HB THR A 53 -21.487 6.663 -17.664 1.00 54.11 H new ATOM 0 HG1 THR A 53 -20.477 4.601 -18.133 1.00 65.42 H new ATOM 0 HG21 THR A 53 -20.716 6.140 -19.948 1.00 60.43 H new ATOM 0 HG22 THR A 53 -20.527 7.869 -19.571 1.00 60.43 H new ATOM 0 HG23 THR A 53 -19.109 6.794 -19.551 1.00 60.43 H new ATOM 820 N ILE A 54 -20.048 9.749 -17.980 1.00 75.01 N ATOM 821 CA ILE A 54 -20.673 11.058 -18.125 1.00 65.32 C ATOM 822 C ILE A 54 -21.165 11.277 -19.551 1.00 75.20 C ATOM 823 O ILE A 54 -20.375 11.329 -20.493 1.00 23.01 O ATOM 824 CB ILE A 54 -19.700 12.191 -17.751 1.00 70.24 C ATOM 825 CG1 ILE A 54 -19.190 12.004 -16.320 1.00 13.34 C ATOM 826 CG2 ILE A 54 -20.378 13.544 -17.904 1.00 72.34 C ATOM 827 CD1 ILE A 54 -18.122 12.998 -15.924 1.00 12.11 C ATOM 0 H ILE A 54 -19.333 9.543 -18.678 1.00 75.01 H new ATOM 0 HA ILE A 54 -21.522 11.079 -17.442 1.00 65.32 H new ATOM 0 HB ILE A 54 -18.847 12.155 -18.429 1.00 70.24 H new ATOM 0 HG12 ILE A 54 -20.029 12.091 -15.630 1.00 13.34 H new ATOM 0 HG13 ILE A 54 -18.793 10.995 -16.214 1.00 13.34 H new ATOM 0 HG21 ILE A 54 -19.677 14.335 -17.636 1.00 72.34 H new ATOM 0 HG22 ILE A 54 -20.696 13.677 -18.938 1.00 72.34 H new ATOM 0 HG23 ILE A 54 -21.247 13.592 -17.248 1.00 72.34 H new ATOM 0 HD11 ILE A 54 -17.808 12.805 -14.898 1.00 12.11 H new ATOM 0 HD12 ILE A 54 -17.266 12.897 -16.591 1.00 12.11 H new ATOM 0 HD13 ILE A 54 -18.521 14.010 -15.998 1.00 12.11 H new ATOM 839 N THR A 55 -22.480 11.407 -19.704 1.00 63.33 N ATOM 840 CA THR A 55 -23.080 11.621 -21.015 1.00 22.45 C ATOM 841 C THR A 55 -23.169 13.108 -21.343 1.00 22.32 C ATOM 842 O THR A 55 -24.009 13.823 -20.799 1.00 1.22 O ATOM 843 CB THR A 55 -24.489 11.004 -21.095 1.00 44.25 C ATOM 844 OG1 THR A 55 -24.571 9.856 -20.243 1.00 21.34 O ATOM 845 CG2 THR A 55 -24.824 10.606 -22.525 1.00 31.54 C ATOM 0 H THR A 55 -23.149 11.368 -18.935 1.00 63.33 H new ATOM 0 HA THR A 55 -22.434 11.129 -21.742 1.00 22.45 H new ATOM 0 HB THR A 55 -25.209 11.753 -20.764 1.00 44.25 H new ATOM 0 HG1 THR A 55 -25.470 9.471 -20.299 1.00 21.34 H new ATOM 0 HG21 THR A 55 -25.824 10.173 -22.557 1.00 31.54 H new ATOM 0 HG22 THR A 55 -24.790 11.487 -23.165 1.00 31.54 H new ATOM 0 HG23 THR A 55 -24.099 9.873 -22.878 1.00 31.54 H new ATOM 853 N GLU A 56 -22.296 13.564 -22.235 1.00 43.31 N ATOM 854 CA GLU A 56 -22.277 14.967 -22.634 1.00 5.13 C ATOM 855 C GLU A 56 -23.246 15.218 -23.786 1.00 2.24 C ATOM 856 O GLU A 56 -22.863 15.752 -24.827 1.00 43.14 O ATOM 857 CB GLU A 56 -20.863 15.385 -23.043 1.00 72.24 C ATOM 858 CG GLU A 56 -20.630 16.886 -22.982 1.00 20.14 C ATOM 859 CD GLU A 56 -19.538 17.345 -23.928 1.00 52.32 C ATOM 860 OE1 GLU A 56 -19.846 18.121 -24.857 1.00 72.23 O ATOM 861 OE2 GLU A 56 -18.376 16.929 -23.739 1.00 35.02 O1- ATOM 0 H GLU A 56 -21.594 12.984 -22.695 1.00 43.31 H new ATOM 0 HA GLU A 56 -22.592 15.565 -21.779 1.00 5.13 H new ATOM 0 HB2 GLU A 56 -20.144 14.887 -22.392 1.00 72.24 H new ATOM 0 HB3 GLU A 56 -20.669 15.037 -24.058 1.00 72.24 H new ATOM 0 HG2 GLU A 56 -21.558 17.404 -23.225 1.00 20.14 H new ATOM 0 HG3 GLU A 56 -20.365 17.168 -21.963 1.00 20.14 H new TER 868 GLU A 56