USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 395 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 14 CYS SG : rot 172:sc= 0.716! USER MOD Set 1.2: A 23 CYS SG : rot 93:sc= -0.157! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0.00382 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.851 K(o=-0.85,f=-1.8) USER MOD Set 3.1: A 16 HIS :FLIP no HE2:sc= -0.866 F(o=-5.2!,f=-3.8) USER MOD Set 3.2: A 26 CYS SG : rot 145:sc= -2.95! USER MOD Set 3.3: A 30 GLN :FLIP amide:sc= -0.0264 F(o=-4.6,f=-3.8) USER MOD Set 4.1: A 7 THR OG1 : rot -11:sc= 1.12 USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 1 GLY N :NH3+ 159:sc= -0.199 (180deg=-0.952) USER MOD Set 5.2: A 9 MET CE :methyl -124:sc= -0.0742 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0533 USER MOD Single : A 5 MET CE :methyl -164:sc= -0.0653 (180deg=-0.486) USER MOD Single : A 11 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.91) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.0597 (180deg=-0.101) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 73:sc= 0.702 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.679 -46.909 -23.845 1.00100.00 N ATOM 2 CA GLY A 1 -26.350 -46.005 -22.896 1.00100.00 C ATOM 3 C GLY A 1 -27.531 -45.411 -23.578 1.00100.00 C ATOM 4 O GLY A 1 -27.398 -44.777 -24.625 1.00100.00 O ATOM 0 H1 GLY A 1 -24.694 -47.056 -23.547 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.175 -47.823 -23.864 1.00100.00 H new ATOM 0 H3 GLY A 1 -25.694 -46.487 -24.796 1.00100.00 H new ATOM 0 HA2 GLY A 1 -26.660 -46.551 -22.005 1.00100.00 H new ATOM 0 HA3 GLY A 1 -25.666 -45.222 -22.568 1.00100.00 H new ATOM 10 N SER A 2 -28.722 -45.837 -23.103 1.00100.00 N ATOM 11 CA SER A 2 -30.000 -45.387 -23.601 1.00100.00 C ATOM 12 C SER A 2 -30.148 -43.906 -23.370 1.00100.00 C ATOM 13 O SER A 2 -30.592 -43.175 -24.257 1.00100.00 O ATOM 14 CB SER A 2 -31.166 -46.156 -22.942 1.00100.00 C ATOM 15 OG SER A 2 -31.142 -45.971 -21.543 1.00100.00 O ATOM 0 H SER A 2 -28.802 -46.517 -22.347 1.00100.00 H new ATOM 0 HA SER A 2 -30.037 -45.588 -24.672 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.116 -45.807 -23.346 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.090 -47.218 -23.177 1.00100.00 H new ATOM 0 HG SER A 2 -31.886 -46.461 -21.135 1.00100.00 H new ATOM 21 N THR A 3 -29.755 -43.450 -22.159 1.00100.00 N ATOM 22 CA THR A 3 -29.788 -42.068 -21.766 1.00100.00 C ATOM 23 C THR A 3 -28.534 -41.396 -22.284 1.00100.00 C ATOM 24 O THR A 3 -27.597 -42.066 -22.735 1.00100.00 O ATOM 25 CB THR A 3 -29.988 -41.887 -20.264 1.00100.00 C ATOM 26 OG1 THR A 3 -30.198 -40.524 -19.965 1.00100.00 O ATOM 27 CG2 THR A 3 -28.762 -42.388 -19.503 1.00100.00 C ATOM 0 H THR A 3 -29.402 -44.067 -21.428 1.00100.00 H new ATOM 0 HA THR A 3 -30.658 -41.586 -22.211 1.00100.00 H new ATOM 0 HB THR A 3 -30.861 -42.464 -19.959 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.327 -40.417 -18.999 1.00100.00 H new ATOM 0 HG21 THR A 3 -28.918 -42.253 -18.433 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.608 -43.446 -19.717 1.00100.00 H new ATOM 0 HG23 THR A 3 -27.884 -41.823 -19.816 1.00100.00 H new ATOM 35 N ALA A 4 -28.505 -40.042 -22.247 1.00100.00 N ATOM 36 CA ALA A 4 -27.359 -39.318 -22.721 1.00100.00 C ATOM 37 C ALA A 4 -26.363 -39.295 -21.609 1.00100.00 C ATOM 38 O ALA A 4 -26.592 -38.717 -20.542 1.00100.00 O ATOM 39 CB ALA A 4 -27.658 -37.865 -23.141 1.00100.00 C ATOM 0 H ALA A 4 -29.264 -39.459 -21.894 1.00100.00 H new ATOM 0 HA ALA A 4 -26.997 -39.824 -23.616 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.740 -37.390 -23.486 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.393 -37.863 -23.946 1.00100.00 H new ATOM 0 HB3 ALA A 4 -28.053 -37.314 -22.288 1.00100.00 H new ATOM 45 N MET A 5 -25.226 -39.975 -21.861 1.00100.00 N ATOM 46 CA MET A 5 -24.157 -40.060 -20.914 1.00100.00 C ATOM 47 C MET A 5 -23.163 -39.102 -21.479 1.00100.00 C ATOM 48 O MET A 5 -22.595 -39.350 -22.545 1.00100.00 O ATOM 49 CB MET A 5 -23.496 -41.459 -20.871 1.00100.00 C ATOM 50 CG MET A 5 -24.508 -42.515 -20.428 1.00100.00 C ATOM 51 SD MET A 5 -25.233 -42.224 -18.794 1.00100.00 S ATOM 52 CE MET A 5 -23.725 -42.248 -17.790 1.00100.00 C ATOM 0 H MET A 5 -25.048 -40.472 -22.734 1.00100.00 H new ATOM 0 HA MET A 5 -24.503 -39.858 -19.900 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.104 -41.713 -21.856 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.650 -41.447 -20.184 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.310 -42.562 -21.164 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.020 -43.489 -20.426 1.00100.00 H new ATOM 0 HE1 MET A 5 -23.989 -42.369 -16.739 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.093 -43.079 -18.103 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.185 -41.311 -17.922 1.00100.00 H new ATOM 62 N ALA A 6 -23.019 -37.935 -20.804 1.00100.00 N ATOM 63 CA ALA A 6 -22.138 -36.853 -21.185 1.00100.00 C ATOM 64 C ALA A 6 -22.337 -36.439 -22.623 1.00100.00 C ATOM 65 O ALA A 6 -21.384 -36.300 -23.395 1.00100.00 O ATOM 66 CB ALA A 6 -20.640 -37.084 -20.869 1.00100.00 C ATOM 0 H ALA A 6 -23.541 -37.735 -19.951 1.00100.00 H new ATOM 0 HA ALA A 6 -22.439 -36.026 -20.541 1.00100.00 H new ATOM 0 HB1 ALA A 6 -20.062 -36.218 -21.192 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.512 -37.226 -19.796 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.289 -37.971 -21.397 1.00100.00 H new ATOM 72 N THR A 7 -23.631 -36.279 -23.000 1.00100.00 N ATOM 73 CA THR A 7 -24.141 -35.890 -24.295 1.00100.00 C ATOM 74 C THR A 7 -24.023 -36.926 -25.377 1.00100.00 C ATOM 75 O THR A 7 -25.044 -37.265 -25.979 1.00100.00 O ATOM 76 CB THR A 7 -23.739 -34.514 -24.828 1.00100.00 C ATOM 77 OG1 THR A 7 -22.360 -34.475 -25.124 1.00100.00 O ATOM 78 CG2 THR A 7 -24.064 -33.439 -23.792 1.00100.00 C ATOM 0 H THR A 7 -24.389 -36.437 -22.336 1.00100.00 H new ATOM 0 HA THR A 7 -25.195 -35.801 -24.033 1.00100.00 H new ATOM 0 HB THR A 7 -24.301 -34.325 -25.743 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.925 -35.274 -24.761 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.775 -32.462 -24.179 1.00100.00 H new ATOM 0 HG22 THR A 7 -25.134 -33.445 -23.585 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.515 -33.642 -22.872 1.00100.00 H new ATOM 86 N THR A 8 -22.807 -37.474 -25.632 1.00100.00 N ATOM 87 CA THR A 8 -22.644 -38.444 -26.687 1.00100.00 C ATOM 88 C THR A 8 -22.196 -39.762 -26.102 1.00100.00 C ATOM 89 O THR A 8 -21.383 -39.815 -25.177 1.00100.00 O ATOM 90 CB THR A 8 -21.659 -37.976 -27.737 1.00100.00 C ATOM 91 OG1 THR A 8 -22.075 -36.718 -28.226 1.00100.00 O ATOM 92 CG2 THR A 8 -21.607 -38.963 -28.901 1.00100.00 C ATOM 0 H THR A 8 -21.954 -37.251 -25.119 1.00100.00 H new ATOM 0 HA THR A 8 -23.609 -38.570 -27.179 1.00100.00 H new ATOM 0 HB THR A 8 -20.669 -37.906 -27.286 1.00100.00 H new ATOM 0 HG1 THR A 8 -21.442 -36.406 -28.906 1.00100.00 H new ATOM 0 HG21 THR A 8 -20.894 -38.610 -29.646 1.00100.00 H new ATOM 0 HG22 THR A 8 -21.295 -39.941 -28.535 1.00100.00 H new ATOM 0 HG23 THR A 8 -22.595 -39.043 -29.354 1.00100.00 H new ATOM 100 N MET A 9 -22.760 -40.858 -26.660 1.00100.00 N ATOM 101 CA MET A 9 -22.498 -42.217 -26.262 1.00100.00 C ATOM 102 C MET A 9 -21.571 -42.941 -27.216 1.00100.00 C ATOM 103 O MET A 9 -21.223 -42.429 -28.282 1.00100.00 O ATOM 104 CB MET A 9 -23.824 -43.011 -26.075 1.00100.00 C ATOM 105 CG MET A 9 -23.607 -44.344 -25.360 1.00100.00 C ATOM 106 SD MET A 9 -22.913 -44.182 -23.696 1.00100.00 S ATOM 107 CE MET A 9 -22.355 -45.886 -23.462 1.00100.00 C ATOM 0 H MET A 9 -23.431 -40.793 -27.426 1.00100.00 H new ATOM 0 HA MET A 9 -21.984 -42.163 -25.303 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.529 -42.406 -25.505 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.276 -43.194 -27.050 1.00100.00 H new ATOM 0 HG2 MET A 9 -24.560 -44.869 -25.296 1.00100.00 H new ATOM 0 HG3 MET A 9 -22.941 -44.963 -25.961 1.00100.00 H new ATOM 0 HE1 MET A 9 -22.804 -46.295 -22.557 1.00100.00 H new ATOM 0 HE2 MET A 9 -22.655 -46.488 -24.320 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.269 -45.904 -23.368 1.00100.00 H new ATOM 117 N GLU A 10 -20.891 -43.966 -26.637 1.00100.00 N ATOM 118 CA GLU A 10 -19.938 -44.895 -27.212 1.00100.00 C ATOM 119 C GLU A 10 -18.555 -44.372 -27.426 1.00100.00 C ATOM 120 O GLU A 10 -17.655 -45.138 -27.774 1.00100.00 O ATOM 121 CB GLU A 10 -20.423 -45.608 -28.500 1.00100.00 C ATOM 122 CG GLU A 10 -21.742 -46.334 -28.242 1.00100.00 C ATOM 123 CD GLU A 10 -22.194 -47.083 -29.488 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.816 -46.426 -30.349 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.908 -48.298 -29.556 1.00100.00 O ATOM 0 H GLU A 10 -21.028 -44.165 -25.646 1.00100.00 H new ATOM 0 HA GLU A 10 -19.876 -45.631 -26.411 1.00100.00 H new ATOM 0 HB2 GLU A 10 -20.552 -44.879 -29.300 1.00100.00 H new ATOM 0 HB3 GLU A 10 -19.668 -46.319 -28.836 1.00100.00 H new ATOM 0 HG2 GLU A 10 -21.623 -47.033 -27.414 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.507 -45.616 -27.945 1.00100.00 H new ATOM 132 N GLN A 11 -18.344 -43.068 -27.167 1.00100.00 N ATOM 133 CA GLN A 11 -17.050 -42.478 -27.302 1.00100.00 C ATOM 134 C GLN A 11 -16.318 -42.406 -25.974 1.00100.00 C ATOM 135 O GLN A 11 -15.213 -41.877 -25.906 1.00100.00 O ATOM 136 CB GLN A 11 -17.088 -41.220 -28.204 1.00100.00 C ATOM 137 CG GLN A 11 -18.017 -40.122 -27.702 1.00100.00 C ATOM 138 CD GLN A 11 -18.038 -38.974 -28.707 1.00100.00 C ATOM 139 OE1 GLN A 11 -18.550 -39.133 -29.811 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.472 -37.825 -28.333 1.00100.00 N ATOM 0 H GLN A 11 -19.073 -42.422 -26.863 1.00100.00 H new ATOM 0 HA GLN A 11 -16.391 -43.135 -27.870 1.00100.00 H new ATOM 0 HB2 GLN A 11 -16.079 -40.817 -28.289 1.00100.00 H new ATOM 0 HB3 GLN A 11 -17.399 -41.514 -29.206 1.00100.00 H new ATOM 0 HG2 GLN A 11 -19.023 -40.517 -27.564 1.00100.00 H new ATOM 0 HG3 GLN A 11 -17.680 -39.762 -26.730 1.00100.00 H new ATOM 0 HE21 GLN A 11 -17.058 -37.739 -27.405 1.00100.00 H new ATOM 0 HE22 GLN A 11 -17.453 -37.033 -28.975 1.00100.00 H new ATOM 149 N GLU A 12 -16.930 -42.972 -24.895 1.00100.00 N ATOM 150 CA GLU A 12 -16.444 -43.095 -23.528 1.00100.00 C ATOM 151 C GLU A 12 -16.295 -41.817 -22.749 1.00100.00 C ATOM 152 O GLU A 12 -16.480 -40.754 -23.326 1.00100.00 O ATOM 153 CB GLU A 12 -15.275 -44.076 -23.337 1.00100.00 C ATOM 154 CG GLU A 12 -15.678 -45.486 -23.758 1.00100.00 C ATOM 155 CD GLU A 12 -14.592 -46.505 -23.430 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.545 -46.085 -22.891 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.833 -47.697 -23.721 1.00100.00 O ATOM 0 H GLU A 12 -17.858 -43.385 -24.990 1.00100.00 H new ATOM 0 HA GLU A 12 -17.296 -43.575 -23.047 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.418 -43.747 -23.925 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.963 -44.078 -22.293 1.00100.00 H new ATOM 0 HG2 GLU A 12 -16.603 -45.766 -23.254 1.00100.00 H new ATOM 0 HG3 GLU A 12 -15.881 -45.502 -24.829 1.00100.00 H new ATOM 164 N ILE A 13 -16.044 -41.865 -21.402 1.00100.00 N ATOM 165 CA ILE A 13 -15.928 -40.640 -20.620 1.00100.00 C ATOM 166 C ILE A 13 -14.853 -40.808 -19.549 1.00100.00 C ATOM 167 O ILE A 13 -14.913 -41.774 -18.784 1.00100.00 O ATOM 168 CB ILE A 13 -17.205 -40.384 -19.799 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.429 -40.338 -20.722 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.068 -39.050 -19.055 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.736 -40.289 -19.929 1.00100.00 C ATOM 0 H ILE A 13 -15.925 -42.726 -20.869 1.00100.00 H new ATOM 0 HA ILE A 13 -15.719 -39.841 -21.332 1.00100.00 H new ATOM 0 HB ILE A 13 -17.338 -41.194 -19.082 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.364 -39.464 -21.369 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.429 -41.215 -21.370 1.00100.00 H new ATOM 0 HG21 ILE A 13 -17.970 -38.864 -18.472 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.207 -39.092 -18.388 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.929 -38.244 -19.776 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.579 -40.257 -20.619 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.814 -41.177 -19.301 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.747 -39.398 -19.301 1.00100.00 H new ATOM 183 N CYS A 14 -13.856 -39.879 -19.466 1.00100.00 N ATOM 184 CA CYS A 14 -12.831 -39.902 -18.435 1.00100.00 C ATOM 185 C CYS A 14 -12.805 -38.536 -17.749 1.00100.00 C ATOM 186 O CYS A 14 -13.814 -38.151 -17.156 1.00100.00 O ATOM 187 CB CYS A 14 -11.419 -40.344 -18.877 1.00100.00 C ATOM 188 SG CYS A 14 -10.304 -40.253 -17.447 1.00100.00 S ATOM 0 H CYS A 14 -13.760 -39.103 -20.122 1.00100.00 H new ATOM 0 HA CYS A 14 -13.118 -40.692 -17.742 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.447 -41.360 -19.270 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.056 -39.702 -19.680 1.00100.00 H new ATOM 0 HG CYS A 14 -9.158 -40.783 -17.756 1.00100.00 H new ATOM 194 N ALA A 15 -11.677 -37.759 -17.826 1.00100.00 N ATOM 195 CA ALA A 15 -11.534 -36.456 -17.229 1.00100.00 C ATOM 196 C ALA A 15 -11.802 -35.276 -18.145 1.00100.00 C ATOM 197 O ALA A 15 -12.827 -34.635 -17.936 1.00100.00 O ATOM 198 CB ALA A 15 -10.151 -36.251 -16.594 1.00100.00 C ATOM 0 H ALA A 15 -10.840 -38.061 -18.325 1.00100.00 H new ATOM 0 HA ALA A 15 -12.317 -36.464 -16.471 1.00100.00 H new ATOM 0 HB1 ALA A 15 -10.095 -35.253 -16.158 1.00100.00 H new ATOM 0 HB2 ALA A 15 -9.994 -36.997 -15.815 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.381 -36.357 -17.358 1.00100.00 H new ATOM 204 N HIS A 16 -10.944 -34.921 -19.162 1.00100.00 N ATOM 205 CA HIS A 16 -11.280 -33.788 -20.020 1.00100.00 C ATOM 206 C HIS A 16 -11.013 -33.748 -21.517 1.00100.00 C ATOM 207 O HIS A 16 -9.948 -33.348 -21.984 1.00100.00 O ATOM 208 CB HIS A 16 -10.921 -32.383 -19.449 1.00100.00 C ATOM 209 CG HIS A 16 -9.464 -32.137 -19.179 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.583 -31.511 -20.019 1.00100.00 N flip ATOM 211 CD2 HIS A 16 -8.816 -32.368 -17.988 1.00100.00 C flip ATOM 212 CE1 HIS A 16 -7.375 -31.358 -19.336 1.00100.00 C flip ATOM 213 NE2 HIS A 16 -7.565 -31.890 -18.118 1.00100.00 N flip ATOM 0 H HIS A 16 -10.066 -35.391 -19.380 1.00100.00 H new ATOM 0 HA HIS A 16 -12.339 -34.041 -19.970 1.00100.00 H new ATOM 0 HB2 HIS A 16 -11.273 -31.626 -20.150 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.472 -32.238 -18.520 1.00100.00 H new ATOM 0 HD1 HIS A 16 -8.775 -31.210 -20.974 1.00100.00 H new ATOM 0 HD2 HIS A 16 -9.233 -32.844 -17.113 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.470 -30.903 -19.712 1.00100.00 H new ATOM 221 N SER A 17 -12.031 -34.147 -22.306 1.00100.00 N ATOM 222 CA SER A 17 -12.072 -34.139 -23.747 1.00100.00 C ATOM 223 C SER A 17 -10.978 -34.743 -24.611 1.00100.00 C ATOM 224 O SER A 17 -10.474 -34.062 -25.511 1.00100.00 O ATOM 225 CB SER A 17 -12.464 -32.718 -24.232 1.00100.00 C ATOM 226 OG SER A 17 -13.718 -32.358 -23.695 1.00100.00 O ATOM 0 H SER A 17 -12.898 -34.505 -21.905 1.00100.00 H new ATOM 0 HA SER A 17 -12.820 -34.912 -23.925 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.706 -31.997 -23.925 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.504 -32.694 -25.321 1.00100.00 H new ATOM 0 HG SER A 17 -13.960 -31.460 -24.003 1.00100.00 H new ATOM 232 N MET A 18 -10.570 -36.022 -24.377 1.00100.00 N ATOM 233 CA MET A 18 -9.541 -36.613 -25.216 1.00100.00 C ATOM 234 C MET A 18 -9.718 -37.961 -25.867 1.00100.00 C ATOM 235 O MET A 18 -10.521 -38.060 -26.784 1.00100.00 O ATOM 236 CB MET A 18 -8.075 -36.462 -24.747 1.00100.00 C ATOM 237 CG MET A 18 -7.425 -35.147 -25.182 1.00100.00 C ATOM 238 SD MET A 18 -7.922 -33.663 -24.277 1.00100.00 S ATOM 239 CE MET A 18 -6.940 -32.447 -25.190 1.00100.00 C ATOM 0 H MET A 18 -10.933 -36.626 -23.640 1.00100.00 H new ATOM 0 HA MET A 18 -9.761 -35.913 -26.022 1.00100.00 H new ATOM 0 HB2 MET A 18 -8.041 -36.532 -23.660 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.490 -37.294 -25.138 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.344 -35.255 -25.093 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.644 -34.992 -26.238 1.00100.00 H new ATOM 0 HE1 MET A 18 -7.113 -31.454 -24.775 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.882 -32.696 -25.106 1.00100.00 H new ATOM 0 HE3 MET A 18 -7.233 -32.457 -26.240 1.00100.00 H new ATOM 249 N THR A 19 -8.915 -38.998 -25.502 1.00100.00 N ATOM 250 CA THR A 19 -8.953 -40.302 -26.127 1.00100.00 C ATOM 251 C THR A 19 -8.767 -41.379 -25.088 1.00100.00 C ATOM 252 O THR A 19 -8.306 -41.119 -23.976 1.00100.00 O ATOM 253 CB THR A 19 -7.834 -40.437 -27.176 1.00100.00 C ATOM 254 OG1 THR A 19 -7.851 -39.295 -28.004 1.00100.00 O ATOM 255 CG2 THR A 19 -7.981 -41.672 -28.064 1.00100.00 C ATOM 0 H THR A 19 -8.224 -38.927 -24.755 1.00100.00 H new ATOM 0 HA THR A 19 -9.922 -40.412 -26.613 1.00100.00 H new ATOM 0 HB THR A 19 -6.896 -40.537 -26.629 1.00100.00 H new ATOM 0 HG1 THR A 19 -7.142 -39.368 -28.676 1.00100.00 H new ATOM 0 HG21 THR A 19 -7.160 -41.705 -28.780 1.00100.00 H new ATOM 0 HG22 THR A 19 -7.960 -42.569 -27.446 1.00100.00 H new ATOM 0 HG23 THR A 19 -8.928 -41.624 -28.601 1.00100.00 H new ATOM 263 N PHE A 20 -9.116 -42.641 -25.438 1.00100.00 N ATOM 264 CA PHE A 20 -8.998 -43.801 -24.586 1.00100.00 C ATOM 265 C PHE A 20 -7.554 -43.985 -24.174 1.00100.00 C ATOM 266 O PHE A 20 -7.266 -44.188 -22.993 1.00100.00 O ATOM 267 CB PHE A 20 -9.461 -45.052 -25.383 1.00100.00 C ATOM 268 CG PHE A 20 -9.354 -46.348 -24.612 1.00100.00 C ATOM 269 CD1 PHE A 20 -8.173 -47.101 -24.665 1.00100.00 C ATOM 270 CD2 PHE A 20 -10.436 -46.800 -23.848 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.080 -48.307 -23.958 1.00100.00 C ATOM 272 CE2 PHE A 20 -10.346 -48.005 -23.142 1.00100.00 C ATOM 273 CZ PHE A 20 -9.168 -48.760 -23.198 1.00100.00 C ATOM 0 H PHE A 20 -9.498 -42.864 -26.357 1.00100.00 H new ATOM 0 HA PHE A 20 -9.614 -43.669 -23.696 1.00100.00 H new ATOM 0 HB2 PHE A 20 -10.496 -44.910 -25.692 1.00100.00 H new ATOM 0 HB3 PHE A 20 -8.865 -45.132 -26.292 1.00100.00 H new ATOM 0 HD1 PHE A 20 -7.335 -46.752 -25.250 1.00100.00 H new ATOM 0 HD2 PHE A 20 -11.344 -46.217 -23.803 1.00100.00 H new ATOM 0 HE1 PHE A 20 -7.170 -48.888 -23.998 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.184 -48.352 -22.555 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.097 -49.691 -22.656 1.00100.00 H new ATOM 283 N GLU A 21 -6.625 -43.888 -25.148 1.00100.00 N ATOM 284 CA GLU A 21 -5.208 -44.018 -24.933 1.00100.00 C ATOM 285 C GLU A 21 -4.706 -42.899 -24.071 1.00100.00 C ATOM 286 O GLU A 21 -3.844 -43.094 -23.215 1.00100.00 O ATOM 287 CB GLU A 21 -4.411 -44.013 -26.246 1.00100.00 C ATOM 288 CG GLU A 21 -4.881 -45.148 -27.154 1.00100.00 C ATOM 289 CD GLU A 21 -4.099 -45.154 -28.459 1.00100.00 C ATOM 290 OE1 GLU A 21 -4.303 -44.203 -29.246 1.00100.00 O ATOM 291 OE2 GLU A 21 -3.311 -46.105 -28.648 1.00100.00 O ATOM 0 H GLU A 21 -6.868 -43.712 -26.123 1.00100.00 H new ATOM 0 HA GLU A 21 -5.058 -44.979 -24.442 1.00100.00 H new ATOM 0 HB2 GLU A 21 -4.537 -43.056 -26.753 1.00100.00 H new ATOM 0 HB3 GLU A 21 -3.347 -44.124 -26.035 1.00100.00 H new ATOM 0 HG2 GLU A 21 -4.755 -46.103 -26.645 1.00100.00 H new ATOM 0 HG3 GLU A 21 -5.945 -45.036 -27.363 1.00100.00 H new ATOM 298 N GLU A 22 -5.249 -41.689 -24.314 1.00100.00 N ATOM 299 CA GLU A 22 -4.929 -40.478 -23.616 1.00100.00 C ATOM 300 C GLU A 22 -5.457 -40.421 -22.211 1.00100.00 C ATOM 301 O GLU A 22 -4.910 -39.671 -21.403 1.00100.00 O ATOM 302 CB GLU A 22 -5.433 -39.242 -24.384 1.00100.00 C ATOM 303 CG GLU A 22 -4.768 -39.117 -25.753 1.00100.00 C ATOM 304 CD GLU A 22 -3.289 -38.792 -25.608 1.00100.00 C ATOM 305 OE1 GLU A 22 -3.001 -37.707 -25.059 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.477 -39.632 -26.051 1.00100.00 O ATOM 0 H GLU A 22 -5.952 -41.549 -25.040 1.00100.00 H new ATOM 0 HA GLU A 22 -3.841 -40.473 -23.556 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.514 -39.307 -24.509 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.233 -38.344 -23.799 1.00100.00 H new ATOM 0 HG2 GLU A 22 -4.888 -40.048 -26.307 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.261 -38.336 -26.332 1.00100.00 H new ATOM 313 N CYS A 23 -6.438 -41.288 -21.842 1.00100.00 N ATOM 314 CA CYS A 23 -7.069 -41.272 -20.541 1.00100.00 C ATOM 315 C CYS A 23 -6.138 -41.345 -19.354 1.00100.00 C ATOM 316 O CYS A 23 -6.377 -40.547 -18.448 1.00100.00 O ATOM 317 CB CYS A 23 -8.087 -42.403 -20.388 1.00100.00 C ATOM 318 SG CYS A 23 -8.698 -42.571 -18.696 1.00100.00 S ATOM 0 H CYS A 23 -6.799 -42.014 -22.461 1.00100.00 H new ATOM 0 HA CYS A 23 -7.544 -40.291 -20.524 1.00100.00 H new ATOM 0 HB2 CYS A 23 -8.928 -42.221 -21.057 1.00100.00 H new ATOM 0 HB3 CYS A 23 -7.629 -43.342 -20.699 1.00100.00 H new ATOM 0 HG CYS A 23 -9.785 -41.871 -18.556 1.00100.00 H new ATOM 324 N PRO A 24 -5.079 -42.218 -19.262 1.00100.00 N ATOM 325 CA PRO A 24 -4.197 -42.211 -18.116 1.00100.00 C ATOM 326 C PRO A 24 -3.476 -40.899 -17.941 1.00100.00 C ATOM 327 O PRO A 24 -3.148 -40.581 -16.796 1.00100.00 O ATOM 328 CB PRO A 24 -3.254 -43.406 -18.277 1.00100.00 C ATOM 329 CG PRO A 24 -3.274 -43.633 -19.791 1.00100.00 C ATOM 330 CD PRO A 24 -4.694 -43.243 -20.202 1.00100.00 C ATOM 0 HA PRO A 24 -4.769 -42.311 -17.194 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.251 -43.185 -17.912 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.607 -44.280 -17.730 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.529 -43.019 -20.297 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.056 -44.671 -20.042 1.00100.00 H new ATOM 0 HD2 PRO A 24 -4.722 -42.872 -21.226 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.369 -44.098 -20.154 1.00100.00 H new ATOM 338 N LYS A 25 -3.209 -40.151 -19.051 1.00100.00 N ATOM 339 CA LYS A 25 -2.553 -38.869 -18.988 1.00100.00 C ATOM 340 C LYS A 25 -3.401 -37.919 -18.218 1.00100.00 C ATOM 341 O LYS A 25 -2.875 -37.218 -17.347 1.00100.00 O ATOM 342 CB LYS A 25 -2.261 -38.197 -20.340 1.00100.00 C ATOM 343 CG LYS A 25 -1.373 -39.111 -21.179 1.00100.00 C ATOM 344 CD LYS A 25 -0.987 -38.397 -22.472 1.00100.00 C ATOM 345 CE LYS A 25 -0.109 -39.302 -23.334 1.00100.00 C ATOM 346 NZ LYS A 25 -0.831 -40.518 -23.739 1.00100.00 N ATOM 0 H LYS A 25 -3.453 -40.444 -19.997 1.00100.00 H new ATOM 0 HA LYS A 25 -1.592 -39.083 -18.521 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.194 -37.994 -20.867 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.768 -37.237 -20.183 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.478 -39.381 -20.619 1.00100.00 H new ATOM 0 HG3 LYS A 25 -1.899 -40.039 -21.406 1.00100.00 H new ATOM 0 HD2 LYS A 25 -1.885 -38.117 -23.023 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.454 -37.474 -22.241 1.00100.00 H new ATOM 0 HE2 LYS A 25 0.218 -38.758 -24.220 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.788 -39.577 -22.780 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.285 -41.020 -24.468 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -0.958 -41.138 -22.913 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -1.762 -40.258 -24.122 1.00100.00 H new ATOM 360 N CYS A 26 -4.727 -37.897 -18.513 1.00100.00 N ATOM 361 CA CYS A 26 -5.536 -37.021 -17.743 1.00100.00 C ATOM 362 C CYS A 26 -6.576 -37.666 -16.926 1.00100.00 C ATOM 363 O CYS A 26 -7.630 -38.113 -17.374 1.00100.00 O ATOM 364 CB CYS A 26 -6.040 -35.739 -18.388 1.00100.00 C ATOM 365 SG CYS A 26 -7.112 -34.854 -17.236 1.00100.00 S ATOM 0 H CYS A 26 -5.199 -38.446 -19.232 1.00100.00 H new ATOM 0 HA CYS A 26 -4.761 -36.669 -17.062 1.00100.00 H new ATOM 0 HB2 CYS A 26 -5.197 -35.109 -18.672 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.587 -35.972 -19.302 1.00100.00 H new ATOM 0 HG CYS A 26 -6.955 -33.573 -17.394 1.00100.00 H new ATOM 371 N SER A 27 -6.158 -37.722 -15.661 1.00100.00 N ATOM 372 CA SER A 27 -6.835 -38.146 -14.478 1.00100.00 C ATOM 373 C SER A 27 -6.508 -36.944 -13.585 1.00100.00 C ATOM 374 O SER A 27 -6.433 -37.048 -12.359 1.00100.00 O ATOM 375 CB SER A 27 -6.199 -39.428 -13.896 1.00100.00 C ATOM 376 OG SER A 27 -6.314 -40.474 -14.836 1.00100.00 O ATOM 0 H SER A 27 -5.208 -37.427 -15.435 1.00100.00 H new ATOM 0 HA SER A 27 -7.891 -38.387 -14.603 1.00100.00 H new ATOM 0 HB2 SER A 27 -5.150 -39.251 -13.658 1.00100.00 H new ATOM 0 HB3 SER A 27 -6.695 -39.704 -12.965 1.00100.00 H new ATOM 0 HG SER A 27 -5.910 -41.288 -14.470 1.00100.00 H new ATOM 382 N ALA A 28 -6.330 -35.754 -14.228 1.00100.00 N ATOM 383 CA ALA A 28 -5.959 -34.495 -13.681 1.00100.00 C ATOM 384 C ALA A 28 -7.044 -33.855 -12.892 1.00100.00 C ATOM 385 O ALA A 28 -8.210 -34.239 -12.961 1.00100.00 O ATOM 386 CB ALA A 28 -5.457 -33.499 -14.749 1.00100.00 C ATOM 0 H ALA A 28 -6.465 -35.689 -15.237 1.00100.00 H new ATOM 0 HA ALA A 28 -5.136 -34.730 -13.006 1.00100.00 H new ATOM 0 HB1 ALA A 28 -5.189 -32.557 -14.271 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.582 -33.913 -15.250 1.00100.00 H new ATOM 0 HB3 ALA A 28 -6.245 -33.323 -15.481 1.00100.00 H new ATOM 392 N LEU A 29 -6.632 -32.800 -12.167 1.00100.00 N ATOM 393 CA LEU A 29 -7.421 -32.023 -11.267 1.00100.00 C ATOM 394 C LEU A 29 -8.624 -31.404 -11.901 1.00100.00 C ATOM 395 O LEU A 29 -9.659 -31.341 -11.235 1.00100.00 O ATOM 396 CB LEU A 29 -6.609 -30.859 -10.665 1.00100.00 C ATOM 397 CG LEU A 29 -5.359 -31.360 -9.935 1.00100.00 C ATOM 398 CD1 LEU A 29 -4.577 -30.158 -9.409 1.00100.00 C ATOM 399 CD2 LEU A 29 -5.737 -32.263 -8.760 1.00100.00 C ATOM 0 H LEU A 29 -5.669 -32.466 -12.216 1.00100.00 H new ATOM 0 HA LEU A 29 -7.735 -32.738 -10.507 1.00100.00 H new ATOM 0 HB2 LEU A 29 -6.316 -30.171 -11.458 1.00100.00 H new ATOM 0 HB3 LEU A 29 -7.236 -30.298 -9.971 1.00100.00 H new ATOM 0 HG LEU A 29 -4.753 -31.936 -10.634 1.00100.00 H new ATOM 0 HD11 LEU A 29 -3.685 -30.504 -8.887 1.00100.00 H new ATOM 0 HD12 LEU A 29 -4.285 -29.520 -10.243 1.00100.00 H new ATOM 0 HD13 LEU A 29 -5.202 -29.590 -8.720 1.00100.00 H new ATOM 0 HD21 LEU A 29 -4.832 -32.605 -8.258 1.00100.00 H new ATOM 0 HD22 LEU A 29 -6.353 -31.704 -8.055 1.00100.00 H new ATOM 0 HD23 LEU A 29 -6.296 -33.124 -9.128 1.00100.00 H new ATOM 411 N GLN A 30 -8.550 -30.956 -13.173 1.00100.00 N ATOM 412 CA GLN A 30 -9.686 -30.325 -13.792 1.00100.00 C ATOM 413 C GLN A 30 -10.933 -31.161 -13.953 1.00100.00 C ATOM 414 O GLN A 30 -11.996 -30.694 -13.544 1.00100.00 O ATOM 415 CB GLN A 30 -9.321 -29.683 -15.139 1.00100.00 C ATOM 416 CG GLN A 30 -8.124 -28.744 -14.985 1.00100.00 C ATOM 417 CD GLN A 30 -7.779 -28.074 -16.309 1.00100.00 C ATOM 418 OE1 GLN A 30 -7.597 -26.752 -16.284 1.00100.00 O flip ATOM 419 NE2 GLN A 30 -7.673 -28.741 -17.337 1.00100.00 N flip ATOM 0 H GLN A 30 -7.722 -31.027 -13.764 1.00100.00 H new ATOM 0 HA GLN A 30 -9.952 -29.564 -13.058 1.00100.00 H new ATOM 0 HB2 GLN A 30 -9.088 -30.461 -15.867 1.00100.00 H new ATOM 0 HB3 GLN A 30 -10.176 -29.129 -15.527 1.00100.00 H new ATOM 0 HG2 GLN A 30 -8.348 -27.984 -14.237 1.00100.00 H new ATOM 0 HG3 GLN A 30 -7.262 -29.304 -14.622 1.00100.00 H new ATOM 0 HE21 GLN A 30 -7.821 -29.750 -17.308 1.00100.00 H new ATOM 0 HE22 GLN A 30 -7.437 -28.285 -18.218 1.00100.00 H new ATOM 428 N TYR A 31 -10.834 -32.407 -14.504 1.00100.00 N ATOM 429 CA TYR A 31 -11.959 -33.319 -14.728 1.00100.00 C ATOM 430 C TYR A 31 -13.129 -32.641 -15.442 1.00100.00 C ATOM 431 O TYR A 31 -14.293 -32.911 -15.144 1.00100.00 O ATOM 432 CB TYR A 31 -12.525 -34.052 -13.470 1.00100.00 C ATOM 433 CG TYR A 31 -11.513 -34.914 -12.753 1.00100.00 C ATOM 434 CD1 TYR A 31 -11.155 -36.159 -13.290 1.00100.00 C ATOM 435 CD2 TYR A 31 -10.957 -34.482 -11.541 1.00100.00 C ATOM 436 CE1 TYR A 31 -10.242 -36.979 -12.616 1.00100.00 C ATOM 437 CE2 TYR A 31 -10.046 -35.298 -10.857 1.00100.00 C ATOM 438 CZ TYR A 31 -9.686 -36.553 -11.391 1.00100.00 C ATOM 439 OH TYR A 31 -8.809 -37.354 -10.723 1.00100.00 O ATOM 0 H TYR A 31 -9.942 -32.798 -14.806 1.00100.00 H new ATOM 0 HA TYR A 31 -11.499 -34.082 -15.356 1.00100.00 H new ATOM 0 HB2 TYR A 31 -12.912 -33.309 -12.773 1.00100.00 H new ATOM 0 HB3 TYR A 31 -13.367 -34.674 -13.773 1.00100.00 H new ATOM 0 HD1 TYR A 31 -11.584 -36.486 -14.225 1.00100.00 H new ATOM 0 HD2 TYR A 31 -11.231 -33.520 -11.134 1.00100.00 H new ATOM 0 HE1 TYR A 31 -9.964 -37.936 -13.033 1.00100.00 H new ATOM 0 HE2 TYR A 31 -9.620 -34.966 -9.922 1.00100.00 H new ATOM 0 HH TYR A 31 -7.947 -37.356 -11.190 1.00100.00 H new ATOM 449 N ARG A 32 -12.839 -31.776 -16.441 1.00100.00 N ATOM 450 CA ARG A 32 -13.848 -31.004 -17.134 1.00100.00 C ATOM 451 C ARG A 32 -14.935 -31.697 -17.907 1.00100.00 C ATOM 452 O ARG A 32 -16.101 -31.334 -17.722 1.00100.00 O ATOM 453 CB ARG A 32 -13.222 -29.966 -18.088 1.00100.00 C ATOM 454 CG ARG A 32 -12.257 -29.063 -17.328 1.00100.00 C ATOM 455 CD ARG A 32 -11.712 -27.984 -18.259 1.00100.00 C ATOM 456 NE ARG A 32 -10.866 -27.037 -17.528 1.00100.00 N ATOM 457 CZ ARG A 32 -11.355 -26.018 -16.805 1.00100.00 C ATOM 458 NH1 ARG A 32 -12.678 -25.832 -16.699 1.00100.00 N ATOM 459 NH2 ARG A 32 -10.515 -25.181 -16.181 1.00100.00 N ATOM 0 H ARG A 32 -11.891 -31.607 -16.776 1.00100.00 H new ATOM 0 HA ARG A 32 -14.352 -30.577 -16.267 1.00100.00 H new ATOM 0 HB2 ARG A 32 -12.695 -30.475 -18.895 1.00100.00 H new ATOM 0 HB3 ARG A 32 -14.007 -29.365 -18.548 1.00100.00 H new ATOM 0 HG2 ARG A 32 -12.767 -28.602 -16.482 1.00100.00 H new ATOM 0 HG3 ARG A 32 -11.436 -29.654 -16.922 1.00100.00 H new ATOM 0 HD2 ARG A 32 -11.137 -28.447 -19.061 1.00100.00 H new ATOM 0 HD3 ARG A 32 -12.539 -27.451 -18.727 1.00100.00 H new ATOM 0 HE ARG A 32 -9.854 -27.159 -17.571 1.00100.00 H new ATOM 0 HH11 ARG A 32 -13.322 -26.468 -17.170 1.00100.00 H new ATOM 0 HH12 ARG A 32 -13.041 -25.055 -16.147 1.00100.00 H new ATOM 0 HH21 ARG A 32 -9.507 -25.320 -16.257 1.00100.00 H new ATOM 0 HH22 ARG A 32 -10.883 -24.405 -15.631 1.00100.00 H new ATOM 473 N ASN A 33 -14.613 -32.710 -18.748 1.00100.00 N ATOM 474 CA ASN A 33 -15.644 -33.345 -19.529 1.00100.00 C ATOM 475 C ASN A 33 -15.460 -34.840 -19.565 1.00100.00 C ATOM 476 O ASN A 33 -16.215 -35.566 -18.918 1.00100.00 O ATOM 477 CB ASN A 33 -15.660 -32.748 -20.960 1.00100.00 C ATOM 478 CG ASN A 33 -16.817 -33.272 -21.800 1.00100.00 C ATOM 479 OD1 ASN A 33 -17.716 -33.939 -21.291 1.00100.00 O ATOM 480 ND2 ASN A 33 -16.793 -32.952 -23.095 1.00100.00 N ATOM 0 H ASN A 33 -13.672 -33.079 -18.885 1.00100.00 H new ATOM 0 HA ASN A 33 -16.608 -33.151 -19.058 1.00100.00 H new ATOM 0 HB2 ASN A 33 -15.725 -31.662 -20.896 1.00100.00 H new ATOM 0 HB3 ASN A 33 -14.719 -32.982 -21.458 1.00100.00 H new ATOM 0 HD21 ASN A 33 -17.544 -33.263 -23.711 1.00100.00 H new ATOM 0 HD22 ASN A 33 -16.024 -32.396 -23.469 1.00100.00 H new ATOM 487 N GLY A 34 -14.426 -35.324 -20.293 1.00100.00 N ATOM 488 CA GLY A 34 -14.154 -36.731 -20.413 1.00100.00 C ATOM 489 C GLY A 34 -12.943 -36.915 -21.268 1.00100.00 C ATOM 490 O GLY A 34 -12.996 -36.710 -22.478 1.00100.00 O ATOM 0 H GLY A 34 -13.772 -34.731 -20.804 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.991 -37.169 -19.428 1.00100.00 H new ATOM 0 HA3 GLY A 34 -15.009 -37.245 -20.853 1.00100.00 H new ATOM 494 N PHE A 35 -11.819 -37.370 -20.674 1.00100.00 N ATOM 495 CA PHE A 35 -10.553 -37.540 -21.343 1.00100.00 C ATOM 496 C PHE A 35 -10.585 -38.730 -22.269 1.00100.00 C ATOM 497 O PHE A 35 -9.627 -38.921 -23.012 1.00100.00 O ATOM 498 CB PHE A 35 -9.368 -37.635 -20.360 1.00100.00 C ATOM 499 CG PHE A 35 -8.162 -36.892 -20.889 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.188 -35.493 -20.954 1.00100.00 C ATOM 501 CD2 PHE A 35 -7.021 -37.577 -21.319 1.00100.00 C ATOM 502 CE1 PHE A 35 -7.091 -34.777 -21.445 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.909 -36.863 -21.791 1.00100.00 C ATOM 504 CZ PHE A 35 -5.947 -35.465 -21.866 1.00100.00 C ATOM 0 H PHE A 35 -11.788 -37.631 -19.688 1.00100.00 H new ATOM 0 HA PHE A 35 -10.392 -36.642 -21.940 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.659 -37.222 -19.394 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.111 -38.681 -20.195 1.00100.00 H new ATOM 0 HD1 PHE A 35 -9.066 -34.960 -20.621 1.00100.00 H new ATOM 0 HD2 PHE A 35 -6.996 -38.656 -21.288 1.00100.00 H new ATOM 0 HE1 PHE A 35 -7.127 -33.699 -21.499 1.00100.00 H new ATOM 0 HE2 PHE A 35 -5.020 -37.394 -22.098 1.00100.00 H new ATOM 0 HZ PHE A 35 -5.096 -34.920 -22.247 1.00100.00 H new ATOM 514 N TYR A 36 -11.628 -39.599 -22.184 1.00100.00 N ATOM 515 CA TYR A 36 -11.789 -40.690 -23.114 1.00100.00 C ATOM 516 C TYR A 36 -12.817 -40.222 -24.133 1.00100.00 C ATOM 517 O TYR A 36 -12.824 -40.720 -25.257 1.00100.00 O ATOM 518 CB TYR A 36 -12.529 -41.986 -22.650 1.00100.00 C ATOM 519 CG TYR A 36 -11.961 -42.974 -21.655 1.00100.00 C ATOM 520 CD1 TYR A 36 -11.232 -44.083 -22.088 1.00100.00 C ATOM 521 CD2 TYR A 36 -12.374 -42.940 -20.324 1.00100.00 C ATOM 522 CE1 TYR A 36 -10.721 -45.014 -21.173 1.00100.00 C ATOM 523 CE2 TYR A 36 -11.903 -43.870 -19.389 1.00100.00 C ATOM 524 CZ TYR A 36 -11.035 -44.895 -19.807 1.00100.00 C ATOM 525 OH TYR A 36 -10.554 -45.801 -18.908 1.00100.00 O ATOM 0 H TYR A 36 -12.356 -39.544 -21.472 1.00100.00 H new ATOM 0 HA TYR A 36 -10.759 -40.923 -23.384 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.487 -41.661 -22.243 1.00100.00 H new ATOM 0 HB3 TYR A 36 -12.744 -42.555 -23.555 1.00100.00 H new ATOM 0 HD1 TYR A 36 -11.059 -44.226 -23.144 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.073 -42.180 -20.007 1.00100.00 H new ATOM 0 HE1 TYR A 36 -10.089 -45.820 -21.516 1.00100.00 H new ATOM 0 HE2 TYR A 36 -12.204 -43.801 -18.354 1.00100.00 H new ATOM 0 HH TYR A 36 -10.867 -45.568 -18.009 1.00100.00 H new ATOM 535 N LEU A 37 -13.629 -39.181 -23.785 1.00100.00 N ATOM 536 CA LEU A 37 -14.749 -38.726 -24.562 1.00100.00 C ATOM 537 C LEU A 37 -14.606 -38.254 -25.948 1.00100.00 C ATOM 538 O LEU A 37 -15.394 -38.746 -26.748 1.00100.00 O ATOM 539 CB LEU A 37 -15.631 -37.696 -23.788 1.00100.00 C ATOM 540 CG LEU A 37 -16.942 -37.309 -24.484 1.00100.00 C ATOM 541 CD1 LEU A 37 -17.976 -38.431 -24.432 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.525 -36.095 -23.764 1.00100.00 C ATOM 0 H LEU A 37 -13.492 -38.643 -22.929 1.00100.00 H new ATOM 0 HA LEU A 37 -15.208 -39.705 -24.701 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.867 -38.108 -22.807 1.00100.00 H new ATOM 0 HB3 LEU A 37 -15.045 -36.792 -23.622 1.00100.00 H new ATOM 0 HG LEU A 37 -16.719 -37.099 -25.530 1.00100.00 H new ATOM 0 HD11 LEU A 37 -18.887 -38.110 -24.937 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.578 -39.316 -24.929 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.202 -38.669 -23.393 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.459 -35.802 -24.243 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.716 -36.347 -22.721 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.817 -35.268 -23.814 1.00100.00 H new ATOM 554 N LEU A 38 -13.644 -37.377 -26.313 1.00100.00 N ATOM 555 CA LEU A 38 -13.644 -36.956 -27.695 1.00100.00 C ATOM 556 C LEU A 38 -13.394 -38.022 -28.709 1.00100.00 C ATOM 557 O LEU A 38 -14.081 -38.037 -29.733 1.00100.00 O ATOM 558 CB LEU A 38 -12.851 -35.699 -28.073 1.00100.00 C ATOM 559 CG LEU A 38 -13.384 -34.446 -27.376 1.00100.00 C ATOM 560 CD1 LEU A 38 -12.583 -33.244 -27.875 1.00100.00 C ATOM 561 CD2 LEU A 38 -14.862 -34.204 -27.689 1.00100.00 C ATOM 0 H LEU A 38 -12.920 -36.984 -25.712 1.00100.00 H new ATOM 0 HA LEU A 38 -14.695 -36.670 -27.742 1.00100.00 H new ATOM 0 HB2 LEU A 38 -11.803 -35.840 -27.810 1.00100.00 H new ATOM 0 HB3 LEU A 38 -12.892 -35.557 -29.153 1.00100.00 H new ATOM 0 HG LEU A 38 -13.282 -34.583 -26.299 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.947 -32.338 -27.390 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.529 -33.385 -27.637 1.00100.00 H new ATOM 0 HD13 LEU A 38 -12.701 -33.151 -28.955 1.00100.00 H new ATOM 0 HD21 LEU A 38 -15.200 -33.305 -27.174 1.00100.00 H new ATOM 0 HD22 LEU A 38 -14.990 -34.077 -28.764 1.00100.00 H new ATOM 0 HD23 LEU A 38 -15.450 -35.058 -27.352 1.00100.00 H new ATOM 573 N LYS A 39 -12.435 -38.936 -28.443 1.00100.00 N ATOM 574 CA LYS A 39 -12.155 -39.976 -29.384 1.00100.00 C ATOM 575 C LYS A 39 -12.031 -41.340 -28.806 1.00100.00 C ATOM 576 O LYS A 39 -11.268 -41.592 -27.874 1.00100.00 O ATOM 577 CB LYS A 39 -10.867 -39.764 -30.218 1.00100.00 C ATOM 578 CG LYS A 39 -10.965 -38.471 -31.023 1.00100.00 C ATOM 579 CD LYS A 39 -9.703 -38.298 -31.864 1.00100.00 C ATOM 580 CE LYS A 39 -9.799 -36.998 -32.658 1.00100.00 C ATOM 581 NZ LYS A 39 -8.597 -36.790 -33.479 1.00100.00 N ATOM 0 H LYS A 39 -11.867 -38.953 -27.596 1.00100.00 H new ATOM 0 HA LYS A 39 -13.043 -39.910 -30.012 1.00100.00 H new ATOM 0 HB2 LYS A 39 -10.000 -39.725 -29.558 1.00100.00 H new ATOM 0 HB3 LYS A 39 -10.718 -40.609 -30.890 1.00100.00 H new ATOM 0 HG2 LYS A 39 -11.844 -38.497 -31.668 1.00100.00 H new ATOM 0 HG3 LYS A 39 -11.087 -37.621 -30.352 1.00100.00 H new ATOM 0 HD2 LYS A 39 -8.823 -38.280 -31.221 1.00100.00 H new ATOM 0 HD3 LYS A 39 -9.585 -39.143 -32.542 1.00100.00 H new ATOM 0 HE2 LYS A 39 -10.681 -37.023 -33.298 1.00100.00 H new ATOM 0 HE3 LYS A 39 -9.926 -36.159 -31.974 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -8.688 -35.900 -34.008 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -7.760 -36.743 -32.863 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -8.492 -37.580 -34.147 1.00100.00 H new ATOM 595 N TYR A 40 -12.843 -42.249 -29.370 1.00100.00 N ATOM 596 CA TYR A 40 -12.801 -43.646 -29.043 1.00100.00 C ATOM 597 C TYR A 40 -12.464 -44.336 -30.368 1.00100.00 C ATOM 598 O TYR A 40 -12.345 -45.558 -30.437 1.00100.00 O ATOM 599 CB TYR A 40 -14.121 -44.174 -28.422 1.00100.00 C ATOM 600 CG TYR A 40 -14.016 -45.588 -27.901 1.00100.00 C ATOM 601 CD1 TYR A 40 -13.131 -45.881 -26.854 1.00100.00 C ATOM 602 CD2 TYR A 40 -14.803 -46.605 -28.459 1.00100.00 C ATOM 603 CE1 TYR A 40 -13.019 -47.191 -26.372 1.00100.00 C ATOM 604 CE2 TYR A 40 -14.698 -47.918 -27.985 1.00100.00 C ATOM 605 CZ TYR A 40 -13.801 -48.218 -26.939 1.00100.00 C ATOM 606 OH TYR A 40 -13.695 -49.495 -26.473 1.00100.00 O ATOM 0 H TYR A 40 -13.546 -42.012 -30.070 1.00100.00 H new ATOM 0 HA TYR A 40 -12.062 -43.850 -28.268 1.00100.00 H new ATOM 0 HB2 TYR A 40 -14.419 -43.515 -27.606 1.00100.00 H new ATOM 0 HB3 TYR A 40 -14.910 -44.129 -29.172 1.00100.00 H new ATOM 0 HD1 TYR A 40 -12.534 -45.094 -26.418 1.00100.00 H new ATOM 0 HD2 TYR A 40 -15.493 -46.375 -29.257 1.00100.00 H new ATOM 0 HE1 TYR A 40 -12.335 -47.414 -25.567 1.00100.00 H new ATOM 0 HE2 TYR A 40 -15.303 -48.700 -28.420 1.00100.00 H new ATOM 0 HH TYR A 40 -14.304 -50.077 -26.973 1.00100.00 H new ATOM 616 N ASP A 41 -12.212 -43.531 -31.440 1.00100.00 N ATOM 617 CA ASP A 41 -11.890 -43.916 -32.788 1.00100.00 C ATOM 618 C ASP A 41 -12.936 -44.748 -33.491 1.00100.00 C ATOM 619 O ASP A 41 -12.615 -45.666 -34.251 1.00100.00 O ATOM 620 CB ASP A 41 -10.482 -44.565 -32.922 1.00100.00 C ATOM 621 CG ASP A 41 -9.411 -43.667 -32.316 1.00100.00 C ATOM 622 OD1 ASP A 41 -9.375 -42.480 -32.706 1.00100.00 O ATOM 623 OD2 ASP A 41 -8.650 -44.183 -31.469 1.00100.00 O ATOM 0 H ASP A 41 -12.239 -42.516 -31.343 1.00100.00 H new ATOM 0 HA ASP A 41 -11.874 -42.961 -33.314 1.00100.00 H new ATOM 0 HB2 ASP A 41 -10.475 -45.534 -32.423 1.00100.00 H new ATOM 0 HB3 ASP A 41 -10.259 -44.746 -33.973 1.00100.00 H new ATOM 628 N GLU A 42 -14.234 -44.435 -33.251 1.00100.00 N ATOM 629 CA GLU A 42 -15.311 -45.127 -33.927 1.00100.00 C ATOM 630 C GLU A 42 -15.712 -44.331 -35.140 1.00100.00 C ATOM 631 O GLU A 42 -15.381 -43.149 -35.246 1.00100.00 O ATOM 632 CB GLU A 42 -16.591 -45.426 -33.121 1.00100.00 C ATOM 633 CG GLU A 42 -16.318 -46.364 -31.947 1.00100.00 C ATOM 634 CD GLU A 42 -17.612 -46.765 -31.239 1.00100.00 C ATOM 635 OE1 GLU A 42 -18.664 -46.182 -31.581 1.00100.00 O ATOM 636 OE2 GLU A 42 -17.528 -47.657 -30.368 1.00100.00 O ATOM 0 H GLU A 42 -14.537 -43.713 -32.598 1.00100.00 H new ATOM 0 HA GLU A 42 -14.886 -46.106 -34.148 1.00100.00 H new ATOM 0 HB2 GLU A 42 -17.012 -44.492 -32.749 1.00100.00 H new ATOM 0 HB3 GLU A 42 -17.337 -45.873 -33.777 1.00100.00 H new ATOM 0 HG2 GLU A 42 -15.806 -47.257 -32.305 1.00100.00 H new ATOM 0 HG3 GLU A 42 -15.650 -45.876 -31.237 1.00100.00 H new ATOM 706 N PRO A 46 -21.350 -41.619 -41.207 1.00100.00 N ATOM 707 CA PRO A 46 -20.898 -42.034 -42.513 1.00100.00 C ATOM 708 C PRO A 46 -21.904 -41.639 -43.553 1.00100.00 C ATOM 709 O PRO A 46 -22.814 -42.404 -43.873 1.00100.00 O ATOM 710 CB PRO A 46 -20.653 -43.537 -42.381 1.00100.00 C ATOM 711 CG PRO A 46 -21.711 -43.951 -41.359 1.00100.00 C ATOM 712 CD PRO A 46 -21.751 -42.758 -40.404 1.00100.00 C ATOM 0 HA PRO A 46 -19.979 -41.552 -42.846 1.00100.00 H new ATOM 0 HB2 PRO A 46 -20.781 -44.055 -43.331 1.00100.00 H new ATOM 0 HB3 PRO A 46 -19.644 -43.755 -42.033 1.00100.00 H new ATOM 0 HG2 PRO A 46 -22.679 -44.125 -41.828 1.00100.00 H new ATOM 0 HG3 PRO A 46 -21.436 -44.871 -40.844 1.00100.00 H new ATOM 0 HD2 PRO A 46 -22.750 -42.617 -39.991 1.00100.00 H new ATOM 0 HD3 PRO A 46 -21.075 -42.904 -39.562 1.00100.00 H new ATOM 720 N GLU A 47 -21.714 -40.424 -44.099 1.00100.00 N ATOM 721 CA GLU A 47 -22.555 -39.818 -45.090 1.00100.00 C ATOM 722 C GLU A 47 -22.584 -40.627 -46.355 1.00100.00 C ATOM 723 O GLU A 47 -23.654 -40.792 -46.941 1.00100.00 O ATOM 724 CB GLU A 47 -22.146 -38.352 -45.332 1.00100.00 C ATOM 725 CG GLU A 47 -22.280 -37.543 -44.042 1.00100.00 C ATOM 726 CD GLU A 47 -21.967 -36.073 -44.280 1.00100.00 C ATOM 727 OE1 GLU A 47 -20.855 -35.801 -44.783 1.00100.00 O ATOM 728 OE2 GLU A 47 -22.845 -35.246 -43.951 1.00100.00 O ATOM 0 H GLU A 47 -20.929 -39.829 -43.834 1.00100.00 H new ATOM 0 HA GLU A 47 -23.577 -39.806 -44.712 1.00100.00 H new ATOM 0 HB2 GLU A 47 -21.118 -38.309 -45.691 1.00100.00 H new ATOM 0 HB3 GLU A 47 -22.773 -37.916 -46.109 1.00100.00 H new ATOM 0 HG2 GLU A 47 -23.292 -37.643 -43.650 1.00100.00 H new ATOM 0 HG3 GLU A 47 -21.604 -37.944 -43.286 1.00100.00 H new ATOM 735 N GLU A 48 -21.419 -41.177 -46.781 1.00100.00 N ATOM 736 CA GLU A 48 -21.316 -41.997 -47.963 1.00100.00 C ATOM 737 C GLU A 48 -22.151 -43.243 -47.818 1.00100.00 C ATOM 738 O GLU A 48 -22.880 -43.593 -48.746 1.00100.00 O ATOM 739 CB GLU A 48 -19.868 -42.419 -48.275 1.00100.00 C ATOM 740 CG GLU A 48 -18.997 -41.192 -48.536 1.00100.00 C ATOM 741 CD GLU A 48 -17.599 -41.596 -48.987 1.00100.00 C ATOM 742 OE1 GLU A 48 -17.032 -42.507 -48.348 1.00100.00 O ATOM 743 OE2 GLU A 48 -17.123 -40.985 -49.969 1.00100.00 O ATOM 0 H GLU A 48 -20.532 -41.049 -46.294 1.00100.00 H new ATOM 0 HA GLU A 48 -21.679 -41.382 -48.787 1.00100.00 H new ATOM 0 HB2 GLU A 48 -19.462 -42.990 -47.440 1.00100.00 H new ATOM 0 HB3 GLU A 48 -19.854 -43.074 -49.146 1.00100.00 H new ATOM 0 HG2 GLU A 48 -19.462 -40.568 -49.299 1.00100.00 H new ATOM 0 HG3 GLU A 48 -18.930 -40.590 -47.629 1.00100.00 H new ATOM 750 N LEU A 49 -22.082 -43.908 -46.635 1.00100.00 N ATOM 751 CA LEU A 49 -22.842 -45.103 -46.345 1.00100.00 C ATOM 752 C LEU A 49 -24.320 -44.855 -46.316 1.00100.00 C ATOM 753 O LEU A 49 -25.090 -45.678 -46.813 1.00100.00 O ATOM 754 CB LEU A 49 -22.449 -45.825 -45.040 1.00100.00 C ATOM 755 CG LEU A 49 -20.972 -46.234 -45.046 1.00100.00 C ATOM 756 CD1 LEU A 49 -20.652 -46.945 -43.732 1.00100.00 C ATOM 757 CD2 LEU A 49 -20.660 -47.180 -46.206 1.00100.00 C ATOM 0 H LEU A 49 -21.485 -43.608 -45.864 1.00100.00 H new ATOM 0 HA LEU A 49 -22.585 -45.759 -47.177 1.00100.00 H new ATOM 0 HB2 LEU A 49 -22.643 -45.172 -44.189 1.00100.00 H new ATOM 0 HB3 LEU A 49 -23.072 -46.710 -44.911 1.00100.00 H new ATOM 0 HG LEU A 49 -20.367 -45.335 -45.162 1.00100.00 H new ATOM 0 HD11 LEU A 49 -19.603 -47.241 -43.725 1.00100.00 H new ATOM 0 HD12 LEU A 49 -20.845 -46.271 -42.897 1.00100.00 H new ATOM 0 HD13 LEU A 49 -21.280 -47.831 -43.635 1.00100.00 H new ATOM 0 HD21 LEU A 49 -19.604 -47.451 -46.181 1.00100.00 H new ATOM 0 HD22 LEU A 49 -21.268 -48.080 -46.115 1.00100.00 H new ATOM 0 HD23 LEU A 49 -20.885 -46.684 -47.150 1.00100.00 H new ATOM 769 N LEU A 50 -24.739 -43.709 -45.729 1.00100.00 N ATOM 770 CA LEU A 50 -26.123 -43.311 -45.625 1.00100.00 C ATOM 771 C LEU A 50 -26.717 -43.105 -46.992 1.00100.00 C ATOM 772 O LEU A 50 -27.851 -43.519 -47.236 1.00100.00 O ATOM 773 CB LEU A 50 -26.311 -42.026 -44.795 1.00100.00 C ATOM 774 CG LEU A 50 -25.979 -42.266 -43.319 1.00100.00 C ATOM 775 CD1 LEU A 50 -25.883 -40.923 -42.599 1.00100.00 C ATOM 776 CD2 LEU A 50 -27.061 -43.115 -42.652 1.00100.00 C ATOM 0 H LEU A 50 -24.095 -43.036 -45.313 1.00100.00 H new ATOM 0 HA LEU A 50 -26.638 -44.121 -45.110 1.00100.00 H new ATOM 0 HB2 LEU A 50 -25.671 -41.237 -45.191 1.00100.00 H new ATOM 0 HB3 LEU A 50 -27.340 -41.678 -44.887 1.00100.00 H new ATOM 0 HG LEU A 50 -25.029 -42.796 -43.258 1.00100.00 H new ATOM 0 HD11 LEU A 50 -25.647 -41.090 -41.548 1.00100.00 H new ATOM 0 HD12 LEU A 50 -25.098 -40.320 -43.056 1.00100.00 H new ATOM 0 HD13 LEU A 50 -26.835 -40.399 -42.678 1.00100.00 H new ATOM 0 HD21 LEU A 50 -26.805 -43.273 -41.604 1.00100.00 H new ATOM 0 HD22 LEU A 50 -28.019 -42.600 -42.718 1.00100.00 H new ATOM 0 HD23 LEU A 50 -27.131 -44.078 -43.158 1.00100.00 H new ATOM 805 N ASP A 52 -27.437 -43.793 -50.807 1.00100.00 N ATOM 806 CA ASP A 52 -27.594 -45.017 -51.553 1.00100.00 C ATOM 807 C ASP A 52 -26.588 -45.019 -52.685 1.00100.00 C ATOM 808 O ASP A 52 -26.408 -44.013 -53.378 1.00100.00 O ATOM 809 CB ASP A 52 -29.031 -45.180 -52.112 1.00100.00 C ATOM 810 CG ASP A 52 -29.180 -46.475 -52.901 1.00100.00 C ATOM 811 OD1 ASP A 52 -28.562 -47.477 -52.479 1.00100.00 O ATOM 812 OD2 ASP A 52 -29.913 -46.440 -53.913 1.00100.00 O ATOM 0 HA ASP A 52 -27.420 -45.859 -50.883 1.00100.00 H new ATOM 0 HB2 ASP A 52 -29.746 -45.170 -51.289 1.00100.00 H new ATOM 0 HB3 ASP A 52 -29.271 -44.332 -52.754 1.00100.00 H new ATOM 817 N GLY A 53 -25.908 -46.173 -52.867 1.00100.00 N ATOM 818 CA GLY A 53 -24.908 -46.337 -53.889 1.00100.00 C ATOM 819 C GLY A 53 -24.149 -47.610 -53.655 1.00100.00 C ATOM 820 O GLY A 53 -24.634 -48.534 -52.998 1.00100.00 O ATOM 0 H GLY A 53 -26.054 -47.006 -52.296 1.00100.00 H new ATOM 0 HA2 GLY A 53 -25.379 -46.359 -54.872 1.00100.00 H new ATOM 0 HA3 GLY A 53 -24.224 -45.488 -53.882 1.00100.00 H new ATOM 824 N GLU A 54 -22.931 -47.673 -54.245 1.00100.00 N ATOM 825 CA GLU A 54 -22.020 -48.790 -54.152 1.00100.00 C ATOM 826 C GLU A 54 -21.527 -48.980 -52.746 1.00100.00 C ATOM 827 O GLU A 54 -21.388 -48.018 -51.987 1.00100.00 O ATOM 828 CB GLU A 54 -20.768 -48.662 -55.038 1.00100.00 C ATOM 829 CG GLU A 54 -21.065 -48.532 -56.533 1.00100.00 C ATOM 830 CD GLU A 54 -21.359 -47.099 -56.963 1.00100.00 C ATOM 831 OE1 GLU A 54 -21.311 -46.203 -56.092 1.00100.00 O ATOM 832 OE2 GLU A 54 -21.611 -46.922 -58.174 1.00100.00 O ATOM 0 H GLU A 54 -22.563 -46.910 -54.814 1.00100.00 H new ATOM 0 HA GLU A 54 -22.613 -49.637 -54.496 1.00100.00 H new ATOM 0 HB2 GLU A 54 -20.197 -47.791 -54.716 1.00100.00 H new ATOM 0 HB3 GLU A 54 -20.135 -49.535 -54.880 1.00100.00 H new ATOM 0 HG2 GLU A 54 -20.213 -48.908 -57.100 1.00100.00 H new ATOM 0 HG3 GLU A 54 -21.918 -49.162 -56.784 1.00100.00 H new ATOM 839 N ASP A 55 -21.274 -50.257 -52.380 1.00100.00 N ATOM 840 CA ASP A 55 -20.821 -50.648 -51.068 1.00100.00 C ATOM 841 C ASP A 55 -19.488 -50.075 -50.690 1.00100.00 C ATOM 842 O ASP A 55 -19.331 -49.615 -49.556 1.00100.00 O ATOM 843 CB ASP A 55 -20.773 -52.185 -50.891 1.00100.00 C ATOM 844 CG ASP A 55 -22.131 -52.813 -51.177 1.00100.00 C ATOM 845 OD1 ASP A 55 -23.137 -52.229 -50.718 1.00100.00 O ATOM 846 OD2 ASP A 55 -22.139 -53.864 -51.854 1.00100.00 O ATOM 0 H ASP A 55 -21.388 -51.045 -53.017 1.00100.00 H new ATOM 0 HA ASP A 55 -21.570 -50.228 -50.396 1.00100.00 H new ATOM 0 HB2 ASP A 55 -20.025 -52.608 -51.561 1.00100.00 H new ATOM 0 HB3 ASP A 55 -20.464 -52.428 -49.874 1.00100.00 H new ATOM 851 N ASP A 56 -18.513 -50.075 -51.627 1.00100.00 N ATOM 852 CA ASP A 56 -17.201 -49.546 -51.365 1.00100.00 C ATOM 853 C ASP A 56 -16.781 -48.601 -52.442 1.00100.00 C ATOM 854 O ASP A 56 -17.350 -48.579 -53.534 1.00100.00 O ATOM 855 CB ASP A 56 -16.081 -50.611 -51.229 1.00100.00 C ATOM 856 CG ASP A 56 -16.352 -51.521 -50.038 1.00100.00 C ATOM 857 OD1 ASP A 56 -16.405 -50.980 -48.914 1.00100.00 O ATOM 858 OD2 ASP A 56 -16.503 -52.740 -50.273 1.00100.00 O ATOM 0 H ASP A 56 -18.634 -50.443 -52.570 1.00100.00 H new ATOM 0 HA ASP A 56 -17.309 -49.048 -50.401 1.00100.00 H new ATOM 0 HB2 ASP A 56 -16.022 -51.204 -52.142 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.116 -50.119 -51.106 1.00100.00 H new ATOM 863 N VAL A 57 -15.765 -47.771 -52.108 1.00100.00 N ATOM 864 CA VAL A 57 -15.152 -46.786 -52.971 1.00100.00 C ATOM 865 C VAL A 57 -14.518 -47.465 -54.168 1.00100.00 C ATOM 866 O VAL A 57 -14.513 -46.899 -55.259 1.00100.00 O ATOM 867 CB VAL A 57 -14.205 -45.830 -52.262 1.00100.00 C ATOM 868 CG1 VAL A 57 -14.963 -45.065 -51.176 1.00100.00 C ATOM 869 CG2 VAL A 57 -13.043 -46.595 -51.629 1.00100.00 C ATOM 0 H VAL A 57 -15.344 -47.787 -51.179 1.00100.00 H new ATOM 0 HA VAL A 57 -15.952 -46.136 -53.325 1.00100.00 H new ATOM 0 HB VAL A 57 -13.806 -45.129 -52.995 1.00100.00 H new ATOM 0 HG11 VAL A 57 -14.282 -44.381 -50.670 1.00100.00 H new ATOM 0 HG12 VAL A 57 -15.776 -44.498 -51.630 1.00100.00 H new ATOM 0 HG13 VAL A 57 -15.373 -45.770 -50.453 1.00100.00 H new ATOM 0 HG21 VAL A 57 -12.377 -45.894 -51.127 1.00100.00 H new ATOM 0 HG22 VAL A 57 -13.431 -47.310 -50.904 1.00100.00 H new ATOM 0 HG23 VAL A 57 -12.492 -47.127 -52.405 1.00100.00 H new ATOM 879 N PHE A 58 -13.942 -48.677 -53.969 1.00100.00 N ATOM 880 CA PHE A 58 -13.351 -49.507 -54.992 1.00100.00 C ATOM 881 C PHE A 58 -14.296 -49.955 -56.058 1.00100.00 C ATOM 882 O PHE A 58 -13.873 -50.085 -57.206 1.00100.00 O ATOM 883 CB PHE A 58 -12.690 -50.804 -54.481 1.00100.00 C ATOM 884 CG PHE A 58 -11.325 -50.574 -53.881 1.00100.00 C ATOM 885 CD1 PHE A 58 -11.199 -50.071 -52.580 1.00100.00 C ATOM 886 CD2 PHE A 58 -10.182 -50.851 -54.643 1.00100.00 C ATOM 887 CE1 PHE A 58 -9.926 -49.847 -52.039 1.00100.00 C ATOM 888 CE2 PHE A 58 -8.910 -50.627 -54.102 1.00100.00 C ATOM 889 CZ PHE A 58 -8.783 -50.126 -52.799 1.00100.00 C ATOM 0 H PHE A 58 -13.886 -49.101 -53.043 1.00100.00 H new ATOM 0 HA PHE A 58 -12.605 -48.819 -55.388 1.00100.00 H new ATOM 0 HB2 PHE A 58 -13.336 -51.264 -53.734 1.00100.00 H new ATOM 0 HB3 PHE A 58 -12.603 -51.511 -55.306 1.00100.00 H new ATOM 0 HD1 PHE A 58 -12.081 -49.856 -51.995 1.00100.00 H new ATOM 0 HD2 PHE A 58 -10.282 -51.237 -55.647 1.00100.00 H new ATOM 0 HE1 PHE A 58 -9.826 -49.459 -51.036 1.00100.00 H new ATOM 0 HE2 PHE A 58 -8.028 -50.840 -54.688 1.00100.00 H new ATOM 0 HZ PHE A 58 -7.802 -49.955 -52.380 1.00100.00 H new ATOM 899 N ASP A 59 -15.584 -50.188 -55.702 1.00100.00 N ATOM 900 CA ASP A 59 -16.567 -50.703 -56.623 1.00100.00 C ATOM 901 C ASP A 59 -16.811 -49.878 -57.870 1.00100.00 C ATOM 902 O ASP A 59 -16.789 -50.497 -58.936 1.00100.00 O ATOM 903 CB ASP A 59 -17.950 -50.939 -55.955 1.00100.00 C ATOM 904 CG ASP A 59 -17.907 -52.020 -54.884 1.00100.00 C ATOM 905 OD1 ASP A 59 -16.954 -52.829 -54.915 1.00100.00 O ATOM 906 OD2 ASP A 59 -18.844 -52.024 -54.057 1.00100.00 O ATOM 0 H ASP A 59 -15.947 -50.017 -54.764 1.00100.00 H new ATOM 0 HA ASP A 59 -16.105 -51.641 -56.930 1.00100.00 H new ATOM 0 HB2 ASP A 59 -18.298 -50.007 -55.511 1.00100.00 H new ATOM 0 HB3 ASP A 59 -18.675 -51.219 -56.719 1.00100.00 H new