USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.952 (180deg=0.946) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -119:sc= -0.247 (180deg=-3.04!) USER MOD Single : A 8 ASN : amide:sc= -0.0016 X(o=-0.0016,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.881 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 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0646 K(o=-0.065,f=-0.63) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 44 THR OG1 : rot 4:sc= 1.13 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -45:sc= 1.16 USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 0.0362 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 63:sc= 0.338 USER MOD Single : A 53 THR OG1 : rot 171:sc= -0.443 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00379 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.151 -0.884 -18.940 1.00 3.32 N ATOM 2 CA MET A 1 -11.276 -1.778 -18.695 1.00 74.22 C ATOM 3 C MET A 1 -10.921 -3.214 -19.070 1.00 73.40 C ATOM 4 O MET A 1 -10.308 -3.462 -20.108 1.00 50.13 O ATOM 5 CB MET A 1 -12.501 -1.320 -19.488 1.00 32.55 C ATOM 6 CG MET A 1 -13.052 0.022 -19.033 1.00 15.35 C ATOM 7 SD MET A 1 -14.826 0.176 -19.315 1.00 21.01 S ATOM 8 CE MET A 1 -14.996 1.955 -19.436 1.00 55.34 C ATOM 0 H1 MET A 1 -10.404 0.081 -18.646 1.00 3.32 H new ATOM 0 H2 MET A 1 -9.326 -1.207 -18.395 1.00 3.32 H new ATOM 0 H3 MET A 1 -9.919 -0.887 -19.954 1.00 3.32 H new ATOM 0 HA MET A 1 -11.508 -1.746 -17.631 1.00 74.22 H new ATOM 0 HB2 MET A 1 -12.237 -1.256 -20.544 1.00 32.55 H new ATOM 0 HB3 MET A 1 -13.283 -2.074 -19.400 1.00 32.55 H new ATOM 0 HG2 MET A 1 -12.844 0.155 -17.971 1.00 15.35 H new ATOM 0 HG3 MET A 1 -12.533 0.822 -19.562 1.00 15.35 H new ATOM 0 HE1 MET A 1 -16.041 2.210 -19.611 1.00 55.34 H new ATOM 0 HE2 MET A 1 -14.661 2.417 -18.507 1.00 55.34 H new ATOM 0 HE3 MET A 1 -14.390 2.323 -20.264 1.00 55.34 H new ATOM 18 N THR A 2 -11.312 -4.157 -18.219 1.00 10.15 N ATOM 19 CA THR A 2 -11.033 -5.568 -18.460 1.00 20.41 C ATOM 20 C THR A 2 -12.205 -6.247 -19.160 1.00 2.24 C ATOM 21 O THR A 2 -13.258 -6.462 -18.562 1.00 31.53 O ATOM 22 CB THR A 2 -10.733 -6.314 -17.146 1.00 61.45 C ATOM 23 OG1 THR A 2 -9.732 -5.611 -16.401 1.00 34.53 O ATOM 24 CG2 THR A 2 -10.262 -7.733 -17.425 1.00 12.34 C ATOM 0 H THR A 2 -11.823 -3.970 -17.356 1.00 10.15 H new ATOM 0 HA THR A 2 -10.154 -5.612 -19.103 1.00 20.41 H new ATOM 0 HB THR A 2 -11.653 -6.362 -16.563 1.00 61.45 H new ATOM 0 HG1 THR A 2 -9.548 -6.091 -15.566 1.00 34.53 H new ATOM 0 HG21 THR A 2 -10.056 -8.240 -16.482 1.00 12.34 H new ATOM 0 HG22 THR A 2 -11.038 -8.274 -17.966 1.00 12.34 H new ATOM 0 HG23 THR A 2 -9.354 -7.703 -18.027 1.00 12.34 H new ATOM 32 N PHE A 3 -12.013 -6.584 -20.431 1.00 71.13 N ATOM 33 CA PHE A 3 -13.054 -7.239 -21.214 1.00 5.34 C ATOM 34 C PHE A 3 -12.721 -8.711 -21.439 1.00 31.35 C ATOM 35 O PHE A 3 -11.599 -9.150 -21.186 1.00 14.10 O ATOM 36 CB PHE A 3 -13.232 -6.533 -22.560 1.00 13.42 C ATOM 37 CG PHE A 3 -13.521 -5.064 -22.433 1.00 61.41 C ATOM 38 CD1 PHE A 3 -12.542 -4.124 -22.711 1.00 3.30 C ATOM 39 CD2 PHE A 3 -14.774 -4.624 -22.035 1.00 14.50 C ATOM 40 CE1 PHE A 3 -12.805 -2.773 -22.595 1.00 51.03 C ATOM 41 CE2 PHE A 3 -15.043 -3.274 -21.918 1.00 61.42 C ATOM 42 CZ PHE A 3 -14.057 -2.346 -22.197 1.00 53.44 C ATOM 0 H PHE A 3 -11.146 -6.414 -20.941 1.00 71.13 H new ATOM 0 HA PHE A 3 -13.987 -7.177 -20.654 1.00 5.34 H new ATOM 0 HB2 PHE A 3 -12.328 -6.667 -23.154 1.00 13.42 H new ATOM 0 HB3 PHE A 3 -14.046 -7.009 -23.106 1.00 13.42 H new ATOM 0 HD1 PHE A 3 -11.561 -4.452 -23.022 1.00 3.30 H new ATOM 0 HD2 PHE A 3 -15.548 -5.344 -21.814 1.00 14.50 H new ATOM 0 HE1 PHE A 3 -12.032 -2.051 -22.815 1.00 51.03 H new ATOM 0 HE2 PHE A 3 -16.024 -2.944 -21.609 1.00 61.42 H new ATOM 0 HZ PHE A 3 -14.265 -1.290 -22.104 1.00 53.44 H new ATOM 52 N LYS A 4 -13.702 -9.468 -21.916 1.00 33.24 N ATOM 53 CA LYS A 4 -13.516 -10.890 -22.176 1.00 21.53 C ATOM 54 C LYS A 4 -13.866 -11.229 -23.622 1.00 64.34 C ATOM 55 O LYS A 4 -14.739 -10.603 -24.222 1.00 12.13 O ATOM 56 CB LYS A 4 -14.377 -11.722 -21.224 1.00 53.22 C ATOM 57 CG LYS A 4 -14.331 -13.213 -21.508 1.00 22.24 C ATOM 58 CD LYS A 4 -12.949 -13.787 -21.250 1.00 3.42 C ATOM 59 CE LYS A 4 -12.770 -14.178 -19.791 1.00 15.10 C ATOM 60 NZ LYS A 4 -11.525 -14.965 -19.575 1.00 54.24 N1+ ATOM 0 H LYS A 4 -14.636 -9.120 -22.131 1.00 33.24 H new ATOM 0 HA LYS A 4 -12.466 -11.129 -22.008 1.00 21.53 H new ATOM 0 HB2 LYS A 4 -14.047 -11.545 -20.200 1.00 53.22 H new ATOM 0 HB3 LYS A 4 -15.410 -11.380 -21.289 1.00 53.22 H new ATOM 0 HG2 LYS A 4 -15.062 -13.726 -20.883 1.00 22.24 H new ATOM 0 HG3 LYS A 4 -14.614 -13.396 -22.545 1.00 22.24 H new ATOM 0 HD2 LYS A 4 -12.793 -14.660 -21.883 1.00 3.42 H new ATOM 0 HD3 LYS A 4 -12.192 -13.053 -21.526 1.00 3.42 H new ATOM 0 HE2 LYS A 4 -12.742 -13.279 -19.175 1.00 15.10 H new ATOM 0 HE3 LYS A 4 -13.630 -14.762 -19.464 1.00 15.10 H new ATOM 0 HZ1 LYS A 4 -11.769 -15.905 -19.202 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 -11.020 -15.071 -20.478 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 -10.915 -14.470 -18.894 1.00 54.24 H new ATOM 74 N ALA A 5 -13.179 -12.223 -24.175 1.00 23.53 N ATOM 75 CA ALA A 5 -13.420 -12.647 -25.549 1.00 20.41 C ATOM 76 C ALA A 5 -13.642 -14.154 -25.627 1.00 72.24 C ATOM 77 O ALA A 5 -12.813 -14.938 -25.164 1.00 53.44 O ATOM 78 CB ALA A 5 -12.257 -12.236 -26.439 1.00 73.13 C ATOM 0 H ALA A 5 -12.451 -12.750 -23.693 1.00 23.53 H new ATOM 0 HA ALA A 5 -14.326 -12.154 -25.902 1.00 20.41 H new ATOM 0 HB1 ALA A 5 -12.450 -12.559 -27.462 1.00 73.13 H new ATOM 0 HB2 ALA A 5 -12.146 -11.152 -26.415 1.00 73.13 H new ATOM 0 HB3 ALA A 5 -11.340 -12.702 -26.078 1.00 73.13 H new ATOM 84 N ILE A 6 -14.765 -14.552 -26.215 1.00 43.32 N ATOM 85 CA ILE A 6 -15.095 -15.964 -26.354 1.00 34.32 C ATOM 86 C ILE A 6 -15.251 -16.351 -27.822 1.00 75.13 C ATOM 87 O ILE A 6 -15.829 -15.604 -28.612 1.00 43.54 O ATOM 88 CB ILE A 6 -16.391 -16.316 -25.602 1.00 0.45 C ATOM 89 CG1 ILE A 6 -16.592 -17.833 -25.570 1.00 74.23 C ATOM 90 CG2 ILE A 6 -17.584 -15.632 -26.253 1.00 73.33 C ATOM 91 CD1 ILE A 6 -15.651 -18.548 -24.625 1.00 10.23 C ATOM 0 H ILE A 6 -15.462 -13.916 -26.603 1.00 43.32 H new ATOM 0 HA ILE A 6 -14.268 -16.525 -25.919 1.00 34.32 H new ATOM 0 HB ILE A 6 -16.307 -15.958 -24.576 1.00 0.45 H new ATOM 0 HG12 ILE A 6 -17.620 -18.049 -25.279 1.00 74.23 H new ATOM 0 HG13 ILE A 6 -16.455 -18.231 -26.576 1.00 74.23 H new ATOM 0 HG21 ILE A 6 -18.493 -15.891 -25.710 1.00 73.33 H new ATOM 0 HG22 ILE A 6 -17.442 -14.552 -26.229 1.00 73.33 H new ATOM 0 HG23 ILE A 6 -17.673 -15.963 -27.288 1.00 73.33 H new ATOM 0 HD11 ILE A 6 -15.851 -19.619 -24.654 1.00 10.23 H new ATOM 0 HD12 ILE A 6 -14.621 -18.362 -24.928 1.00 10.23 H new ATOM 0 HD13 ILE A 6 -15.803 -18.178 -23.611 1.00 10.23 H new ATOM 103 N ILE A 7 -14.733 -17.522 -28.178 1.00 61.12 N ATOM 104 CA ILE A 7 -14.818 -18.008 -29.549 1.00 70.24 C ATOM 105 C ILE A 7 -15.704 -19.246 -29.640 1.00 73.23 C ATOM 106 O ILE A 7 -15.532 -20.202 -28.886 1.00 74.32 O ATOM 107 CB ILE A 7 -13.425 -18.346 -30.113 1.00 43.34 C ATOM 108 CG1 ILE A 7 -12.459 -17.184 -29.876 1.00 24.22 C ATOM 109 CG2 ILE A 7 -13.519 -18.671 -31.596 1.00 55.12 C ATOM 110 CD1 ILE A 7 -12.908 -15.886 -30.512 1.00 21.24 C ATOM 0 H ILE A 7 -14.250 -18.151 -27.536 1.00 61.12 H new ATOM 0 HA ILE A 7 -15.257 -17.205 -30.142 1.00 70.24 H new ATOM 0 HB ILE A 7 -13.041 -19.224 -29.593 1.00 43.34 H new ATOM 0 HG12 ILE A 7 -12.342 -17.032 -28.803 1.00 24.22 H new ATOM 0 HG13 ILE A 7 -11.478 -17.452 -30.269 1.00 24.22 H new ATOM 0 HG21 ILE A 7 -12.527 -18.908 -31.980 1.00 55.12 H new ATOM 0 HG22 ILE A 7 -14.178 -19.528 -31.740 1.00 55.12 H new ATOM 0 HG23 ILE A 7 -13.920 -17.811 -32.132 1.00 55.12 H new ATOM 0 HD11 ILE A 7 -12.176 -15.106 -30.303 1.00 21.24 H new ATOM 0 HD12 ILE A 7 -12.997 -16.021 -31.590 1.00 21.24 H new ATOM 0 HD13 ILE A 7 -13.875 -15.595 -30.101 1.00 21.24 H new ATOM 122 N ASN A 8 -16.654 -19.220 -30.569 1.00 44.31 N ATOM 123 CA ASN A 8 -17.569 -20.339 -30.760 1.00 54.12 C ATOM 124 C ASN A 8 -16.958 -21.388 -31.684 1.00 3.45 C ATOM 125 O ASN A 8 -17.156 -21.353 -32.897 1.00 74.11 O ATOM 126 CB ASN A 8 -18.897 -19.848 -31.335 1.00 64.50 C ATOM 127 CG ASN A 8 -20.010 -20.865 -31.172 1.00 13.51 C ATOM 128 OD1 ASN A 8 -20.748 -20.842 -30.187 1.00 51.34 O ATOM 129 ND2 ASN A 8 -20.134 -21.766 -32.140 1.00 52.55 N ATOM 0 H ASN A 8 -16.810 -18.435 -31.202 1.00 44.31 H new ATOM 0 HA ASN A 8 -17.751 -20.797 -29.788 1.00 54.12 H new ATOM 0 HB2 ASN A 8 -19.182 -18.919 -30.841 1.00 64.50 H new ATOM 0 HB3 ASN A 8 -18.769 -19.620 -32.393 1.00 64.50 H new ATOM 0 HD21 ASN A 8 -20.864 -22.477 -32.085 1.00 52.55 H new ATOM 0 HD22 ASN A 8 -19.500 -21.747 -32.938 1.00 52.55 H new ATOM 136 N GLY A 9 -16.215 -22.324 -31.100 1.00 64.02 N ATOM 137 CA GLY A 9 -15.586 -23.370 -31.886 1.00 71.24 C ATOM 138 C GLY A 9 -16.530 -24.520 -32.178 1.00 4.45 C ATOM 139 O GLY A 9 -17.480 -24.760 -31.432 1.00 51.23 O ATOM 0 H GLY A 9 -16.038 -22.376 -30.097 1.00 64.02 H new ATOM 0 HA2 GLY A 9 -15.228 -22.949 -32.826 1.00 71.24 H new ATOM 0 HA3 GLY A 9 -14.713 -23.746 -31.353 1.00 71.24 H new ATOM 143 N LYS A 10 -16.270 -25.234 -33.268 1.00 61.35 N ATOM 144 CA LYS A 10 -17.101 -26.365 -33.660 1.00 63.23 C ATOM 145 C LYS A 10 -16.735 -27.613 -32.861 1.00 15.24 C ATOM 146 O LYS A 10 -17.602 -28.268 -32.280 1.00 72.44 O ATOM 147 CB LYS A 10 -16.950 -26.643 -35.157 1.00 21.11 C ATOM 148 CG LYS A 10 -18.183 -27.266 -35.788 1.00 0.45 C ATOM 149 CD LYS A 10 -18.339 -28.724 -35.389 1.00 62.51 C ATOM 150 CE LYS A 10 -19.228 -29.477 -36.366 1.00 31.44 C ATOM 151 NZ LYS A 10 -18.447 -30.050 -37.498 1.00 14.44 N1+ ATOM 0 H LYS A 10 -15.488 -25.048 -33.897 1.00 61.35 H new ATOM 0 HA LYS A 10 -18.139 -26.110 -33.448 1.00 63.23 H new ATOM 0 HB2 LYS A 10 -16.722 -25.709 -35.670 1.00 21.11 H new ATOM 0 HB3 LYS A 10 -16.099 -27.307 -35.311 1.00 21.11 H new ATOM 0 HG2 LYS A 10 -19.069 -26.708 -35.485 1.00 0.45 H new ATOM 0 HG3 LYS A 10 -18.115 -27.190 -36.873 1.00 0.45 H new ATOM 0 HD2 LYS A 10 -17.358 -29.198 -35.348 1.00 62.51 H new ATOM 0 HD3 LYS A 10 -18.764 -28.785 -34.387 1.00 62.51 H new ATOM 0 HE2 LYS A 10 -19.748 -30.278 -35.841 1.00 31.44 H new ATOM 0 HE3 LYS A 10 -19.992 -28.804 -36.756 1.00 31.44 H new ATOM 0 HZ1 LYS A 10 -19.089 -30.555 -38.142 1.00 14.44 H new ATOM 0 HZ2 LYS A 10 -17.971 -29.283 -38.015 1.00 14.44 H new ATOM 0 HZ3 LYS A 10 -17.735 -30.712 -37.129 1.00 14.44 H new ATOM 165 N THR A 11 -15.446 -27.934 -32.833 1.00 75.42 N ATOM 166 CA THR A 11 -14.965 -29.102 -32.106 1.00 45.15 C ATOM 167 C THR A 11 -14.193 -28.693 -30.857 1.00 43.34 C ATOM 168 O THR A 11 -14.423 -29.224 -29.770 1.00 53.01 O ATOM 169 CB THR A 11 -14.059 -29.982 -32.989 1.00 51.20 C ATOM 170 OG1 THR A 11 -13.070 -29.172 -33.634 1.00 61.24 O ATOM 171 CG2 THR A 11 -14.879 -30.720 -34.037 1.00 64.34 C ATOM 0 H THR A 11 -14.716 -27.401 -33.306 1.00 75.42 H new ATOM 0 HA THR A 11 -15.845 -29.676 -31.815 1.00 45.15 H new ATOM 0 HB THR A 11 -13.568 -30.716 -32.351 1.00 51.20 H new ATOM 0 HG1 THR A 11 -12.497 -29.738 -34.192 1.00 61.24 H new ATOM 0 HG21 THR A 11 -14.219 -31.335 -34.649 1.00 64.34 H new ATOM 0 HG22 THR A 11 -15.613 -31.356 -33.543 1.00 64.34 H new ATOM 0 HG23 THR A 11 -15.393 -29.998 -34.671 1.00 64.34 H new ATOM 179 N LEU A 12 -13.277 -27.744 -31.018 1.00 14.20 N ATOM 180 CA LEU A 12 -12.471 -27.261 -29.902 1.00 71.25 C ATOM 181 C LEU A 12 -12.542 -25.740 -29.797 1.00 11.25 C ATOM 182 O LEU A 12 -12.370 -25.029 -30.787 1.00 31.51 O ATOM 183 CB LEU A 12 -11.017 -27.704 -30.068 1.00 3.23 C ATOM 184 CG LEU A 12 -10.113 -27.516 -28.849 1.00 35.12 C ATOM 185 CD1 LEU A 12 -8.965 -28.513 -28.875 1.00 11.42 C ATOM 186 CD2 LEU A 12 -9.584 -26.091 -28.792 1.00 24.33 C ATOM 0 H LEU A 12 -13.074 -27.294 -31.910 1.00 14.20 H new ATOM 0 HA LEU A 12 -12.873 -27.690 -28.984 1.00 71.25 H new ATOM 0 HB2 LEU A 12 -11.009 -28.759 -30.342 1.00 3.23 H new ATOM 0 HB3 LEU A 12 -10.584 -27.155 -30.904 1.00 3.23 H new ATOM 0 HG LEU A 12 -10.704 -27.699 -27.952 1.00 35.12 H new ATOM 0 HD11 LEU A 12 -8.333 -28.363 -28.000 1.00 11.42 H new ATOM 0 HD12 LEU A 12 -9.364 -29.527 -28.865 1.00 11.42 H new ATOM 0 HD13 LEU A 12 -8.374 -28.364 -29.779 1.00 11.42 H new ATOM 0 HD21 LEU A 12 -8.943 -25.976 -27.918 1.00 24.33 H new ATOM 0 HD22 LEU A 12 -9.010 -25.880 -29.694 1.00 24.33 H new ATOM 0 HD23 LEU A 12 -10.420 -25.395 -28.723 1.00 24.33 H new ATOM 198 N LYS A 13 -12.794 -25.249 -28.589 1.00 74.53 N ATOM 199 CA LYS A 13 -12.884 -23.812 -28.350 1.00 63.41 C ATOM 200 C LYS A 13 -12.153 -23.426 -27.069 1.00 51.50 C ATOM 201 O LYS A 13 -11.705 -24.288 -26.315 1.00 41.22 O ATOM 202 CB LYS A 13 -14.349 -23.380 -28.264 1.00 61.25 C ATOM 203 CG LYS A 13 -15.106 -24.018 -27.112 1.00 35.23 C ATOM 204 CD LYS A 13 -15.715 -25.350 -27.515 1.00 31.02 C ATOM 205 CE LYS A 13 -16.891 -25.718 -26.622 1.00 52.41 C ATOM 206 NZ LYS A 13 -17.485 -27.029 -27.001 1.00 2.51 N1+ ATOM 0 H LYS A 13 -12.940 -25.824 -27.759 1.00 74.53 H new ATOM 0 HA LYS A 13 -12.409 -23.300 -29.186 1.00 63.41 H new ATOM 0 HB2 LYS A 13 -14.394 -22.296 -28.161 1.00 61.25 H new ATOM 0 HB3 LYS A 13 -14.849 -23.632 -29.199 1.00 61.25 H new ATOM 0 HG2 LYS A 13 -14.431 -24.166 -26.269 1.00 35.23 H new ATOM 0 HG3 LYS A 13 -15.894 -23.344 -26.775 1.00 35.23 H new ATOM 0 HD2 LYS A 13 -16.046 -25.301 -28.552 1.00 31.02 H new ATOM 0 HD3 LYS A 13 -14.956 -26.130 -27.459 1.00 31.02 H new ATOM 0 HE2 LYS A 13 -16.561 -25.755 -25.584 1.00 52.41 H new ATOM 0 HE3 LYS A 13 -17.653 -24.942 -26.687 1.00 52.41 H new ATOM 0 HZ1 LYS A 13 -18.283 -27.244 -26.370 1.00 2.51 H new ATOM 0 HZ2 LYS A 13 -17.823 -26.986 -27.984 1.00 2.51 H new ATOM 0 HZ3 LYS A 13 -16.765 -27.774 -26.915 1.00 2.51 H new ATOM 220 N GLY A 14 -12.038 -22.123 -26.829 1.00 72.31 N ATOM 221 CA GLY A 14 -11.361 -21.647 -25.636 1.00 53.44 C ATOM 222 C GLY A 14 -11.895 -20.309 -25.162 1.00 32.23 C ATOM 223 O GLY A 14 -13.091 -20.037 -25.273 1.00 62.11 O ATOM 0 H GLY A 14 -12.401 -21.390 -27.438 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -11.474 -22.383 -24.840 1.00 53.44 H new ATOM 0 HA3 GLY A 14 -10.294 -21.558 -25.839 1.00 53.44 H new ATOM 227 N GLU A 15 -11.008 -19.474 -24.631 1.00 72.40 N ATOM 228 CA GLU A 15 -11.399 -18.159 -24.137 1.00 14.51 C ATOM 229 C GLU A 15 -10.172 -17.294 -23.863 1.00 2.11 C ATOM 230 O GLU A 15 -9.195 -17.749 -23.268 1.00 50.33 O ATOM 231 CB GLU A 15 -12.233 -18.297 -22.860 1.00 41.21 C ATOM 232 CG GLU A 15 -11.640 -19.260 -21.847 1.00 33.00 C ATOM 233 CD GLU A 15 -12.478 -19.371 -20.588 1.00 5.33 C ATOM 234 OE1 GLU A 15 -12.974 -18.328 -20.112 1.00 42.21 O ATOM 235 OE2 GLU A 15 -12.637 -20.499 -20.078 1.00 1.43 O1- ATOM 0 H GLU A 15 -10.015 -19.684 -24.532 1.00 72.40 H new ATOM 0 HA GLU A 15 -12.000 -17.674 -24.906 1.00 14.51 H new ATOM 0 HB2 GLU A 15 -12.338 -17.316 -22.397 1.00 41.21 H new ATOM 0 HB3 GLU A 15 -13.235 -18.634 -23.125 1.00 41.21 H new ATOM 0 HG2 GLU A 15 -11.542 -20.246 -22.302 1.00 33.00 H new ATOM 0 HG3 GLU A 15 -10.635 -18.930 -21.582 1.00 33.00 H new ATOM 242 N THR A 16 -10.230 -16.040 -24.304 1.00 64.02 N ATOM 243 CA THR A 16 -9.124 -15.111 -24.110 1.00 12.05 C ATOM 244 C THR A 16 -9.595 -13.831 -23.430 1.00 42.21 C ATOM 245 O THR A 16 -10.796 -13.590 -23.300 1.00 10.11 O ATOM 246 CB THR A 16 -8.452 -14.750 -25.448 1.00 72.14 C ATOM 247 OG1 THR A 16 -9.431 -14.270 -26.375 1.00 21.02 O ATOM 248 CG2 THR A 16 -7.737 -15.958 -26.038 1.00 32.22 C ATOM 0 H THR A 16 -11.031 -15.646 -24.797 1.00 64.02 H new ATOM 0 HA THR A 16 -8.398 -15.613 -23.471 1.00 12.05 H new ATOM 0 HB THR A 16 -7.717 -13.968 -25.260 1.00 72.14 H new ATOM 0 HG1 THR A 16 -8.995 -14.041 -27.222 1.00 21.02 H new ATOM 0 HG21 THR A 16 -7.270 -15.679 -26.983 1.00 32.22 H new ATOM 0 HG22 THR A 16 -6.972 -16.303 -25.343 1.00 32.22 H new ATOM 0 HG23 THR A 16 -8.457 -16.758 -26.212 1.00 32.22 H new ATOM 256 N THR A 17 -8.642 -13.010 -22.997 1.00 12.33 N ATOM 257 CA THR A 17 -8.960 -11.755 -22.329 1.00 4.32 C ATOM 258 C THR A 17 -8.380 -10.567 -23.089 1.00 2.10 C ATOM 259 O THR A 17 -7.320 -10.669 -23.708 1.00 50.51 O ATOM 260 CB THR A 17 -8.426 -11.736 -20.885 1.00 64.52 C ATOM 261 OG1 THR A 17 -7.181 -12.440 -20.813 1.00 35.25 O ATOM 262 CG2 THR A 17 -9.428 -12.367 -19.930 1.00 52.12 C ATOM 0 H THR A 17 -7.644 -13.193 -23.098 1.00 12.33 H new ATOM 0 HA THR A 17 -10.047 -11.674 -22.307 1.00 4.32 H new ATOM 0 HB THR A 17 -8.272 -10.698 -20.591 1.00 64.52 H new ATOM 0 HG1 THR A 17 -6.848 -12.422 -19.892 1.00 35.25 H new ATOM 0 HG21 THR A 17 -9.029 -12.342 -18.916 1.00 52.12 H new ATOM 0 HG22 THR A 17 -10.365 -11.810 -19.965 1.00 52.12 H new ATOM 0 HG23 THR A 17 -9.609 -13.401 -20.224 1.00 52.12 H new ATOM 270 N THR A 18 -9.081 -9.438 -23.036 1.00 22.31 N ATOM 271 CA THR A 18 -8.635 -8.230 -23.719 1.00 2.54 C ATOM 272 C THR A 18 -8.536 -7.056 -22.752 1.00 23.33 C ATOM 273 O THR A 18 -9.470 -6.779 -22.002 1.00 54.25 O ATOM 274 CB THR A 18 -9.587 -7.852 -24.870 1.00 23.14 C ATOM 275 OG1 THR A 18 -10.042 -9.035 -25.537 1.00 34.30 O ATOM 276 CG2 THR A 18 -8.893 -6.937 -25.868 1.00 44.33 C ATOM 0 H THR A 18 -9.959 -9.336 -22.527 1.00 22.31 H new ATOM 0 HA THR A 18 -7.648 -8.445 -24.128 1.00 2.54 H new ATOM 0 HB THR A 18 -10.440 -7.322 -24.447 1.00 23.14 H new ATOM 0 HG1 THR A 18 -10.648 -8.787 -26.266 1.00 34.30 H new ATOM 0 HG21 THR A 18 -9.585 -6.684 -26.671 1.00 44.33 H new ATOM 0 HG22 THR A 18 -8.573 -6.025 -25.364 1.00 44.33 H new ATOM 0 HG23 THR A 18 -8.024 -7.446 -26.285 1.00 44.33 H new ATOM 284 N GLU A 19 -7.397 -6.370 -22.775 1.00 43.54 N ATOM 285 CA GLU A 19 -7.177 -5.226 -21.899 1.00 43.13 C ATOM 286 C GLU A 19 -7.020 -3.942 -22.709 1.00 53.51 C ATOM 287 O GLU A 19 -6.014 -3.746 -23.391 1.00 62.32 O ATOM 288 CB GLU A 19 -5.936 -5.451 -21.032 1.00 75.33 C ATOM 289 CG GLU A 19 -5.905 -4.590 -19.780 1.00 64.13 C ATOM 290 CD GLU A 19 -6.568 -5.262 -18.593 1.00 55.41 C ATOM 291 OE1 GLU A 19 -7.331 -6.226 -18.809 1.00 63.52 O ATOM 292 OE2 GLU A 19 -6.326 -4.822 -17.450 1.00 10.35 O1- ATOM 0 H GLU A 19 -6.613 -6.587 -23.391 1.00 43.54 H new ATOM 0 HA GLU A 19 -8.049 -5.122 -21.253 1.00 43.13 H new ATOM 0 HB2 GLU A 19 -5.891 -6.501 -20.742 1.00 75.33 H new ATOM 0 HB3 GLU A 19 -5.046 -5.246 -21.626 1.00 75.33 H new ATOM 0 HG2 GLU A 19 -4.870 -4.357 -19.529 1.00 64.13 H new ATOM 0 HG3 GLU A 19 -6.405 -3.643 -19.982 1.00 64.13 H new ATOM 299 N ALA A 20 -8.021 -3.073 -22.628 1.00 42.41 N ATOM 300 CA ALA A 20 -7.994 -1.808 -23.353 1.00 61.43 C ATOM 301 C ALA A 20 -8.822 -0.747 -22.635 1.00 34.43 C ATOM 302 O ALA A 20 -9.656 -1.065 -21.786 1.00 52.30 O ATOM 303 CB ALA A 20 -8.499 -2.002 -24.774 1.00 42.42 C ATOM 0 H ALA A 20 -8.861 -3.221 -22.068 1.00 42.41 H new ATOM 0 HA ALA A 20 -6.961 -1.462 -23.391 1.00 61.43 H new ATOM 0 HB1 ALA A 20 -8.473 -1.049 -25.303 1.00 42.42 H new ATOM 0 HB2 ALA A 20 -7.864 -2.721 -25.291 1.00 42.42 H new ATOM 0 HB3 ALA A 20 -9.523 -2.375 -24.749 1.00 42.42 H new ATOM 309 N VAL A 21 -8.587 0.515 -22.981 1.00 11.54 N ATOM 310 CA VAL A 21 -9.311 1.623 -22.370 1.00 64.42 C ATOM 311 C VAL A 21 -10.781 1.610 -22.776 1.00 23.33 C ATOM 312 O VAL A 21 -11.670 1.649 -21.926 1.00 70.44 O ATOM 313 CB VAL A 21 -8.695 2.979 -22.760 1.00 32.04 C ATOM 314 CG1 VAL A 21 -9.345 4.107 -21.974 1.00 72.54 C ATOM 315 CG2 VAL A 21 -7.189 2.963 -22.540 1.00 45.25 C ATOM 0 H VAL A 21 -7.901 0.795 -23.681 1.00 11.54 H new ATOM 0 HA VAL A 21 -9.234 1.494 -21.290 1.00 64.42 H new ATOM 0 HB VAL A 21 -8.883 3.152 -23.820 1.00 32.04 H new ATOM 0 HG11 VAL A 21 -8.897 5.057 -22.263 1.00 72.54 H new ATOM 0 HG12 VAL A 21 -10.414 4.130 -22.187 1.00 72.54 H new ATOM 0 HG13 VAL A 21 -9.191 3.943 -20.907 1.00 72.54 H new ATOM 0 HG21 VAL A 21 -6.770 3.929 -22.821 1.00 45.25 H new ATOM 0 HG22 VAL A 21 -6.977 2.767 -21.489 1.00 45.25 H new ATOM 0 HG23 VAL A 21 -6.740 2.181 -23.153 1.00 45.25 H new ATOM 325 N ASP A 22 -11.027 1.553 -24.081 1.00 42.31 N ATOM 326 CA ASP A 22 -12.389 1.532 -24.601 1.00 1.33 C ATOM 327 C ASP A 22 -12.621 0.299 -25.468 1.00 73.21 C ATOM 328 O ASP A 22 -11.673 -0.328 -25.938 1.00 2.50 O ATOM 329 CB ASP A 22 -12.669 2.800 -25.410 1.00 0.34 C ATOM 330 CG ASP A 22 -11.518 3.168 -26.325 1.00 65.24 C ATOM 331 OD1 ASP A 22 -10.482 3.643 -25.815 1.00 31.54 O ATOM 332 OD2 ASP A 22 -11.653 2.978 -27.552 1.00 73.30 O1- ATOM 0 H ASP A 22 -10.301 1.521 -24.797 1.00 42.31 H new ATOM 0 HA ASP A 22 -13.074 1.492 -23.754 1.00 1.33 H new ATOM 0 HB2 ASP A 22 -13.571 2.656 -26.005 1.00 0.34 H new ATOM 0 HB3 ASP A 22 -12.866 3.627 -24.728 1.00 0.34 H new ATOM 337 N ALA A 23 -13.889 -0.044 -25.674 1.00 3.24 N ATOM 338 CA ALA A 23 -14.246 -1.201 -26.484 1.00 54.33 C ATOM 339 C ALA A 23 -13.646 -1.097 -27.883 1.00 5.03 C ATOM 340 O ALA A 23 -13.059 -2.053 -28.389 1.00 12.02 O ATOM 341 CB ALA A 23 -15.758 -1.343 -26.566 1.00 24.43 C ATOM 0 H ALA A 23 -14.686 0.464 -25.290 1.00 3.24 H new ATOM 0 HA ALA A 23 -13.835 -2.089 -26.005 1.00 54.33 H new ATOM 0 HB1 ALA A 23 -16.009 -2.212 -27.174 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -16.166 -1.472 -25.564 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -16.184 -0.447 -27.019 1.00 24.43 H new ATOM 347 N ALA A 24 -13.798 0.069 -28.502 1.00 2.42 N ATOM 348 CA ALA A 24 -13.270 0.297 -29.841 1.00 1.04 C ATOM 349 C ALA A 24 -11.795 -0.080 -29.922 1.00 20.15 C ATOM 350 O ALA A 24 -11.332 -0.614 -30.931 1.00 1.23 O ATOM 351 CB ALA A 24 -13.467 1.751 -30.246 1.00 53.41 C ATOM 0 H ALA A 24 -14.282 0.870 -28.097 1.00 2.42 H new ATOM 0 HA ALA A 24 -13.820 -0.340 -30.534 1.00 1.04 H new ATOM 0 HB1 ALA A 24 -13.068 1.907 -31.248 1.00 53.41 H new ATOM 0 HB2 ALA A 24 -14.530 1.990 -30.238 1.00 53.41 H new ATOM 0 HB3 ALA A 24 -12.944 2.399 -29.542 1.00 53.41 H new ATOM 357 N THR A 25 -11.057 0.200 -28.851 1.00 32.45 N ATOM 358 CA THR A 25 -9.633 -0.109 -28.801 1.00 64.24 C ATOM 359 C THR A 25 -9.380 -1.584 -29.087 1.00 62.03 C ATOM 360 O THR A 25 -8.352 -1.948 -29.656 1.00 44.02 O ATOM 361 CB THR A 25 -9.029 0.248 -27.430 1.00 73.41 C ATOM 362 OG1 THR A 25 -9.282 1.625 -27.127 1.00 72.11 O ATOM 363 CG2 THR A 25 -7.531 -0.012 -27.415 1.00 4.30 C ATOM 0 H THR A 25 -11.423 0.640 -28.007 1.00 32.45 H new ATOM 0 HA THR A 25 -9.151 0.495 -29.570 1.00 64.24 H new ATOM 0 HB THR A 25 -9.499 -0.382 -26.675 1.00 73.41 H new ATOM 0 HG1 THR A 25 -8.896 1.844 -26.253 1.00 72.11 H new ATOM 0 HG21 THR A 25 -7.126 0.247 -26.437 1.00 4.30 H new ATOM 0 HG22 THR A 25 -7.343 -1.066 -27.618 1.00 4.30 H new ATOM 0 HG23 THR A 25 -7.048 0.596 -28.180 1.00 4.30 H new ATOM 371 N ALA A 26 -10.326 -2.429 -28.688 1.00 74.02 N ATOM 372 CA ALA A 26 -10.205 -3.866 -28.904 1.00 53.15 C ATOM 373 C ALA A 26 -10.562 -4.237 -30.339 1.00 23.31 C ATOM 374 O ALA A 26 -10.040 -5.208 -30.886 1.00 2.03 O ATOM 375 CB ALA A 26 -11.092 -4.623 -27.925 1.00 11.33 C ATOM 0 H ALA A 26 -11.183 -2.144 -28.214 1.00 74.02 H new ATOM 0 HA ALA A 26 -9.167 -4.149 -28.731 1.00 53.15 H new ATOM 0 HB1 ALA A 26 -10.992 -5.695 -28.097 1.00 11.33 H new ATOM 0 HB2 ALA A 26 -10.789 -4.390 -26.904 1.00 11.33 H new ATOM 0 HB3 ALA A 26 -12.131 -4.327 -28.072 1.00 11.33 H new ATOM 381 N GLU A 27 -11.456 -3.459 -30.943 1.00 4.11 N ATOM 382 CA GLU A 27 -11.883 -3.708 -32.314 1.00 11.53 C ATOM 383 C GLU A 27 -10.725 -3.510 -33.289 1.00 23.50 C ATOM 384 O GLU A 27 -10.404 -4.398 -34.079 1.00 52.42 O ATOM 385 CB GLU A 27 -13.042 -2.783 -32.687 1.00 72.31 C ATOM 386 CG GLU A 27 -14.400 -3.299 -32.242 1.00 43.22 C ATOM 387 CD GLU A 27 -14.374 -3.875 -30.839 1.00 0.43 C ATOM 388 OE1 GLU A 27 -13.888 -5.014 -30.676 1.00 23.21 O ATOM 389 OE2 GLU A 27 -14.839 -3.189 -29.906 1.00 4.43 O1- ATOM 0 H GLU A 27 -11.898 -2.651 -30.504 1.00 4.11 H new ATOM 0 HA GLU A 27 -12.218 -4.743 -32.380 1.00 11.53 H new ATOM 0 HB2 GLU A 27 -12.871 -1.803 -32.242 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -13.052 -2.644 -33.768 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -15.125 -2.486 -32.284 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -14.740 -4.065 -32.939 1.00 43.22 H new ATOM 396 N LYS A 28 -10.102 -2.339 -33.227 1.00 43.34 N ATOM 397 CA LYS A 28 -8.980 -2.022 -34.102 1.00 2.12 C ATOM 398 C LYS A 28 -7.907 -3.103 -34.025 1.00 23.24 C ATOM 399 O LYS A 28 -7.181 -3.340 -34.990 1.00 44.21 O ATOM 400 CB LYS A 28 -8.380 -0.665 -33.725 1.00 40.24 C ATOM 401 CG LYS A 28 -9.183 0.519 -34.235 1.00 74.32 C ATOM 402 CD LYS A 28 -8.499 1.837 -33.915 1.00 34.15 C ATOM 403 CE LYS A 28 -9.507 2.964 -33.757 1.00 4.23 C ATOM 404 NZ LYS A 28 -8.916 4.143 -33.062 1.00 4.24 N1+ ATOM 0 H LYS A 28 -10.355 -1.593 -32.579 1.00 43.34 H new ATOM 0 HA LYS A 28 -9.352 -1.977 -35.126 1.00 2.12 H new ATOM 0 HB2 LYS A 28 -8.303 -0.600 -32.640 1.00 40.24 H new ATOM 0 HB3 LYS A 28 -7.366 -0.603 -34.121 1.00 40.24 H new ATOM 0 HG2 LYS A 28 -9.318 0.431 -35.313 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -10.177 0.506 -33.787 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -7.920 1.734 -32.997 1.00 34.15 H new ATOM 0 HD3 LYS A 28 -7.796 2.085 -34.710 1.00 34.15 H new ATOM 0 HE2 LYS A 28 -9.871 3.266 -34.739 1.00 4.23 H new ATOM 0 HE3 LYS A 28 -10.369 2.605 -33.194 1.00 4.23 H new ATOM 0 HZ1 LYS A 28 -9.634 4.890 -32.973 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 -8.591 3.861 -32.115 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 -8.110 4.502 -33.612 1.00 4.24 H new ATOM 418 N VAL A 29 -7.814 -3.757 -32.872 1.00 21.30 N ATOM 419 CA VAL A 29 -6.832 -4.815 -32.670 1.00 25.12 C ATOM 420 C VAL A 29 -7.323 -6.138 -33.247 1.00 3.02 C ATOM 421 O VAL A 29 -6.563 -6.873 -33.878 1.00 53.33 O ATOM 422 CB VAL A 29 -6.511 -5.007 -31.176 1.00 45.21 C ATOM 423 CG1 VAL A 29 -5.508 -6.133 -30.984 1.00 44.51 C ATOM 424 CG2 VAL A 29 -5.992 -3.711 -30.573 1.00 72.10 C ATOM 0 H VAL A 29 -8.407 -3.573 -32.063 1.00 21.30 H new ATOM 0 HA VAL A 29 -5.925 -4.508 -33.192 1.00 25.12 H new ATOM 0 HB VAL A 29 -7.430 -5.281 -30.658 1.00 45.21 H new ATOM 0 HG11 VAL A 29 -5.294 -6.253 -29.922 1.00 44.51 H new ATOM 0 HG12 VAL A 29 -5.923 -7.061 -31.378 1.00 44.51 H new ATOM 0 HG13 VAL A 29 -4.586 -5.894 -31.515 1.00 44.51 H new ATOM 0 HG21 VAL A 29 -5.770 -3.864 -29.517 1.00 72.10 H new ATOM 0 HG22 VAL A 29 -5.085 -3.405 -31.094 1.00 72.10 H new ATOM 0 HG23 VAL A 29 -6.749 -2.933 -30.676 1.00 72.10 H new ATOM 434 N PHE A 30 -8.600 -6.435 -33.027 1.00 64.42 N ATOM 435 CA PHE A 30 -9.193 -7.671 -33.525 1.00 35.02 C ATOM 436 C PHE A 30 -9.098 -7.746 -35.045 1.00 62.14 C ATOM 437 O PHE A 30 -8.585 -8.718 -35.600 1.00 3.15 O ATOM 438 CB PHE A 30 -10.657 -7.770 -33.088 1.00 12.44 C ATOM 439 CG PHE A 30 -10.842 -8.448 -31.761 1.00 52.15 C ATOM 440 CD1 PHE A 30 -11.467 -7.791 -30.714 1.00 52.04 C ATOM 441 CD2 PHE A 30 -10.389 -9.742 -31.560 1.00 11.01 C ATOM 442 CE1 PHE A 30 -11.640 -8.412 -29.491 1.00 11.44 C ATOM 443 CE2 PHE A 30 -10.560 -10.369 -30.340 1.00 32.40 C ATOM 444 CZ PHE A 30 -11.184 -9.702 -29.304 1.00 5.33 C ATOM 0 H PHE A 30 -9.243 -5.837 -32.508 1.00 64.42 H new ATOM 0 HA PHE A 30 -8.637 -8.508 -33.103 1.00 35.02 H new ATOM 0 HB2 PHE A 30 -11.081 -6.767 -33.037 1.00 12.44 H new ATOM 0 HB3 PHE A 30 -11.218 -8.315 -33.847 1.00 12.44 H new ATOM 0 HD1 PHE A 30 -11.824 -6.781 -30.855 1.00 52.04 H new ATOM 0 HD2 PHE A 30 -9.897 -10.267 -32.366 1.00 11.01 H new ATOM 0 HE1 PHE A 30 -12.131 -7.889 -28.683 1.00 11.44 H new ATOM 0 HE2 PHE A 30 -10.206 -11.379 -30.197 1.00 32.40 H new ATOM 0 HZ PHE A 30 -11.315 -10.189 -28.349 1.00 5.33 H new ATOM 454 N LYS A 31 -9.597 -6.712 -35.716 1.00 13.35 N ATOM 455 CA LYS A 31 -9.568 -6.659 -37.172 1.00 22.03 C ATOM 456 C LYS A 31 -8.156 -6.892 -37.698 1.00 4.01 C ATOM 457 O LYS A 31 -7.971 -7.440 -38.784 1.00 74.12 O ATOM 458 CB LYS A 31 -10.090 -5.306 -37.664 1.00 52.34 C ATOM 459 CG LYS A 31 -9.308 -4.121 -37.123 1.00 74.40 C ATOM 460 CD LYS A 31 -8.224 -3.681 -38.092 1.00 13.51 C ATOM 461 CE LYS A 31 -8.731 -2.615 -39.051 1.00 21.40 C ATOM 462 NZ LYS A 31 -7.612 -1.870 -39.694 1.00 50.35 N1+ ATOM 0 H LYS A 31 -10.026 -5.900 -35.273 1.00 13.35 H new ATOM 0 HA LYS A 31 -10.213 -7.451 -37.552 1.00 22.03 H new ATOM 0 HB2 LYS A 31 -10.056 -5.287 -38.753 1.00 52.34 H new ATOM 0 HB3 LYS A 31 -11.136 -5.203 -37.376 1.00 52.34 H new ATOM 0 HG2 LYS A 31 -9.988 -3.290 -36.934 1.00 74.40 H new ATOM 0 HG3 LYS A 31 -8.857 -4.387 -36.167 1.00 74.40 H new ATOM 0 HD2 LYS A 31 -7.371 -3.294 -37.534 1.00 13.51 H new ATOM 0 HD3 LYS A 31 -7.870 -4.542 -38.658 1.00 13.51 H new ATOM 0 HE2 LYS A 31 -9.346 -3.082 -39.820 1.00 21.40 H new ATOM 0 HE3 LYS A 31 -9.370 -1.916 -38.512 1.00 21.40 H new ATOM 0 HZ1 LYS A 31 -7.999 -1.153 -40.340 1.00 50.35 H new ATOM 0 HZ2 LYS A 31 -7.039 -1.404 -38.962 1.00 50.35 H new ATOM 0 HZ3 LYS A 31 -7.016 -2.533 -40.230 1.00 50.35 H new ATOM 476 N GLN A 32 -7.163 -6.473 -36.920 1.00 12.22 N ATOM 477 CA GLN A 32 -5.767 -6.638 -37.308 1.00 64.31 C ATOM 478 C GLN A 32 -5.385 -8.114 -37.354 1.00 73.14 C ATOM 479 O GLN A 32 -4.732 -8.567 -38.294 1.00 72.14 O ATOM 480 CB GLN A 32 -4.853 -5.893 -36.333 1.00 31.11 C ATOM 481 CG GLN A 32 -3.547 -5.427 -36.958 1.00 43.12 C ATOM 482 CD GLN A 32 -3.694 -4.120 -37.710 1.00 30.42 C ATOM 483 OE1 GLN A 32 -3.595 -3.040 -37.126 1.00 41.20 O ATOM 484 NE2 GLN A 32 -3.932 -4.208 -39.014 1.00 61.01 N ATOM 0 H GLN A 32 -7.299 -6.017 -36.018 1.00 12.22 H new ATOM 0 HA GLN A 32 -5.642 -6.218 -38.306 1.00 64.31 H new ATOM 0 HB2 GLN A 32 -5.386 -5.028 -35.937 1.00 31.11 H new ATOM 0 HB3 GLN A 32 -4.630 -6.544 -35.488 1.00 31.11 H new ATOM 0 HG2 GLN A 32 -2.796 -5.310 -36.177 1.00 43.12 H new ATOM 0 HG3 GLN A 32 -3.181 -6.195 -37.640 1.00 43.12 H new ATOM 0 HE21 GLN A 32 -4.007 -5.123 -39.458 1.00 61.01 H new ATOM 0 HE22 GLN A 32 -4.040 -3.360 -39.571 1.00 61.01 H new ATOM 493 N TYR A 33 -5.796 -8.858 -36.333 1.00 0.51 N ATOM 494 CA TYR A 33 -5.494 -10.282 -36.256 1.00 64.52 C ATOM 495 C TYR A 33 -6.277 -11.063 -37.306 1.00 3.34 C ATOM 496 O TYR A 33 -5.852 -12.131 -37.749 1.00 3.14 O ATOM 497 CB TYR A 33 -5.818 -10.818 -34.859 1.00 74.12 C ATOM 498 CG TYR A 33 -4.864 -10.336 -33.790 1.00 2.13 C ATOM 499 CD1 TYR A 33 -3.490 -10.459 -33.950 1.00 44.13 C ATOM 500 CD2 TYR A 33 -5.337 -9.757 -32.619 1.00 14.23 C ATOM 501 CE1 TYR A 33 -2.615 -10.021 -32.975 1.00 22.11 C ATOM 502 CE2 TYR A 33 -4.470 -9.315 -31.639 1.00 11.55 C ATOM 503 CZ TYR A 33 -3.110 -9.449 -31.822 1.00 40.41 C ATOM 504 OH TYR A 33 -2.242 -9.011 -30.848 1.00 2.51 O ATOM 0 H TYR A 33 -6.339 -8.499 -35.548 1.00 0.51 H new ATOM 0 HA TYR A 33 -4.430 -10.413 -36.451 1.00 64.52 H new ATOM 0 HB2 TYR A 33 -6.832 -10.520 -34.591 1.00 74.12 H new ATOM 0 HB3 TYR A 33 -5.802 -11.908 -34.884 1.00 74.12 H new ATOM 0 HD1 TYR A 33 -3.099 -10.905 -34.852 1.00 44.13 H new ATOM 0 HD2 TYR A 33 -6.402 -9.651 -32.472 1.00 14.23 H new ATOM 0 HE1 TYR A 33 -1.549 -10.126 -33.115 1.00 22.11 H new ATOM 0 HE2 TYR A 33 -4.855 -8.867 -30.735 1.00 11.55 H new ATOM 0 HH TYR A 33 -2.752 -8.633 -30.101 1.00 2.51 H new ATOM 514 N PHE A 34 -7.425 -10.522 -37.702 1.00 1.24 N ATOM 515 CA PHE A 34 -8.270 -11.166 -38.701 1.00 71.25 C ATOM 516 C PHE A 34 -7.466 -11.511 -39.952 1.00 75.23 C ATOM 517 O PHE A 34 -7.707 -12.532 -40.594 1.00 24.13 O ATOM 518 CB PHE A 34 -9.444 -10.258 -39.070 1.00 45.01 C ATOM 519 CG PHE A 34 -10.497 -10.943 -39.893 1.00 40.33 C ATOM 520 CD1 PHE A 34 -11.699 -11.328 -39.323 1.00 50.01 C ATOM 521 CD2 PHE A 34 -10.284 -11.202 -41.238 1.00 32.15 C ATOM 522 CE1 PHE A 34 -12.671 -11.959 -40.078 1.00 32.33 C ATOM 523 CE2 PHE A 34 -11.251 -11.832 -41.998 1.00 24.42 C ATOM 524 CZ PHE A 34 -12.446 -12.211 -41.417 1.00 24.34 C ATOM 0 H PHE A 34 -7.791 -9.639 -37.346 1.00 1.24 H new ATOM 0 HA PHE A 34 -8.657 -12.090 -38.272 1.00 71.25 H new ATOM 0 HB2 PHE A 34 -9.900 -9.877 -38.156 1.00 45.01 H new ATOM 0 HB3 PHE A 34 -9.067 -9.396 -39.621 1.00 45.01 H new ATOM 0 HD1 PHE A 34 -11.880 -11.133 -38.276 1.00 50.01 H new ATOM 0 HD2 PHE A 34 -9.352 -10.908 -41.697 1.00 32.15 H new ATOM 0 HE1 PHE A 34 -13.604 -12.254 -39.621 1.00 32.33 H new ATOM 0 HE2 PHE A 34 -11.073 -12.028 -43.045 1.00 24.42 H new ATOM 0 HZ PHE A 34 -13.203 -12.704 -42.009 1.00 24.34 H new ATOM 534 N ASN A 35 -6.512 -10.651 -40.290 1.00 25.20 N ATOM 535 CA ASN A 35 -5.673 -10.863 -41.465 1.00 13.22 C ATOM 536 C ASN A 35 -4.513 -11.799 -41.142 1.00 14.35 C ATOM 537 O ASN A 35 -4.251 -12.755 -41.873 1.00 32.43 O ATOM 538 CB ASN A 35 -5.137 -9.527 -41.982 1.00 15.24 C ATOM 539 CG ASN A 35 -4.347 -9.680 -43.268 1.00 53.00 C ATOM 540 OD1 ASN A 35 -3.200 -10.127 -43.255 1.00 50.44 O ATOM 541 ND2 ASN A 35 -4.959 -9.308 -44.386 1.00 2.01 N ATOM 0 H ASN A 35 -6.300 -9.801 -39.768 1.00 25.20 H new ATOM 0 HA ASN A 35 -6.285 -11.325 -42.240 1.00 13.22 H new ATOM 0 HB2 ASN A 35 -5.970 -8.845 -42.150 1.00 15.24 H new ATOM 0 HB3 ASN A 35 -4.502 -9.074 -41.220 1.00 15.24 H new ATOM 0 HD21 ASN A 35 -4.477 -9.387 -45.282 1.00 2.01 H new ATOM 0 HD22 ASN A 35 -5.911 -8.943 -44.349 1.00 2.01 H new ATOM 548 N ASP A 36 -3.821 -11.518 -40.044 1.00 72.53 N ATOM 549 CA ASP A 36 -2.688 -12.336 -39.623 1.00 31.41 C ATOM 550 C ASP A 36 -3.079 -13.809 -39.551 1.00 53.41 C ATOM 551 O ASP A 36 -2.352 -14.677 -40.031 1.00 51.11 O ATOM 552 CB ASP A 36 -2.170 -11.865 -38.263 1.00 41.52 C ATOM 553 CG ASP A 36 -1.107 -12.786 -37.699 1.00 10.32 C ATOM 554 OD1 ASP A 36 0.093 -12.468 -37.845 1.00 11.35 O ATOM 555 OD2 ASP A 36 -1.472 -13.825 -37.111 1.00 52.10 O1- ATOM 0 H ASP A 36 -4.024 -10.730 -39.429 1.00 72.53 H new ATOM 0 HA ASP A 36 -1.895 -12.225 -40.363 1.00 31.41 H new ATOM 0 HB2 ASP A 36 -1.761 -10.860 -38.362 1.00 41.52 H new ATOM 0 HB3 ASP A 36 -3.002 -11.803 -37.562 1.00 41.52 H new ATOM 560 N ASN A 37 -4.231 -14.081 -38.947 1.00 14.32 N ATOM 561 CA ASN A 37 -4.717 -15.449 -38.810 1.00 4.12 C ATOM 562 C ASN A 37 -5.578 -15.843 -40.006 1.00 70.12 C ATOM 563 O ASN A 37 -5.768 -17.026 -40.286 1.00 4.34 O ATOM 564 CB ASN A 37 -5.521 -15.600 -37.517 1.00 22.42 C ATOM 565 CG ASN A 37 -4.642 -15.565 -36.282 1.00 54.21 C ATOM 566 OD1 ASN A 37 -3.611 -16.234 -36.221 1.00 50.32 O ATOM 567 ND2 ASN A 37 -5.046 -14.781 -35.290 1.00 64.23 N ATOM 0 H ASN A 37 -4.845 -13.373 -38.545 1.00 14.32 H new ATOM 0 HA ASN A 37 -3.853 -16.113 -38.772 1.00 4.12 H new ATOM 0 HB2 ASN A 37 -6.260 -14.801 -37.456 1.00 22.42 H new ATOM 0 HB3 ASN A 37 -6.071 -16.541 -37.542 1.00 22.42 H new ATOM 0 HD21 ASN A 37 -4.495 -14.716 -34.434 1.00 64.23 H new ATOM 0 HD22 ASN A 37 -5.908 -14.244 -35.383 1.00 64.23 H new ATOM 574 N GLY A 38 -6.098 -14.840 -40.709 1.00 34.21 N ATOM 575 CA GLY A 38 -6.933 -15.102 -41.867 1.00 32.44 C ATOM 576 C GLY A 38 -8.198 -15.857 -41.511 1.00 73.32 C ATOM 577 O GLY A 38 -8.820 -16.482 -42.372 1.00 21.11 O ATOM 0 H GLY A 38 -5.956 -13.852 -40.497 1.00 34.21 H new ATOM 0 HA2 GLY A 38 -7.199 -14.157 -42.341 1.00 32.44 H new ATOM 0 HA3 GLY A 38 -6.365 -15.676 -42.598 1.00 32.44 H new ATOM 581 N LEU A 39 -8.581 -15.801 -40.241 1.00 30.05 N ATOM 582 CA LEU A 39 -9.781 -16.486 -39.772 1.00 63.52 C ATOM 583 C LEU A 39 -11.040 -15.758 -40.233 1.00 44.43 C ATOM 584 O LEU A 39 -11.151 -14.540 -40.091 1.00 45.03 O ATOM 585 CB LEU A 39 -9.769 -16.591 -38.247 1.00 73.54 C ATOM 586 CG LEU A 39 -10.487 -17.802 -37.651 1.00 71.34 C ATOM 587 CD1 LEU A 39 -11.970 -17.761 -37.983 1.00 33.32 C ATOM 588 CD2 LEU A 39 -9.861 -19.094 -38.157 1.00 1.14 C ATOM 0 H LEU A 39 -8.078 -15.288 -39.517 1.00 30.05 H new ATOM 0 HA LEU A 39 -9.787 -17.489 -40.199 1.00 63.52 H new ATOM 0 HB2 LEU A 39 -8.732 -16.608 -37.912 1.00 73.54 H new ATOM 0 HB3 LEU A 39 -10.221 -15.688 -37.837 1.00 73.54 H new ATOM 0 HG LEU A 39 -10.378 -17.768 -36.567 1.00 71.34 H new ATOM 0 HD11 LEU A 39 -12.464 -18.631 -37.550 1.00 33.32 H new ATOM 0 HD12 LEU A 39 -12.410 -16.852 -37.572 1.00 33.32 H new ATOM 0 HD13 LEU A 39 -12.101 -17.770 -39.065 1.00 33.32 H new ATOM 0 HD21 LEU A 39 -10.384 -19.946 -37.723 1.00 1.14 H new ATOM 0 HD22 LEU A 39 -9.939 -19.135 -39.243 1.00 1.14 H new ATOM 0 HD23 LEU A 39 -8.811 -19.127 -37.867 1.00 1.14 H new ATOM 600 N ASP A 40 -11.984 -16.511 -40.785 1.00 23.32 N ATOM 601 CA ASP A 40 -13.237 -15.938 -41.264 1.00 31.44 C ATOM 602 C ASP A 40 -14.346 -16.117 -40.232 1.00 11.13 C ATOM 603 O ASP A 40 -15.140 -17.052 -40.314 1.00 74.43 O ATOM 604 CB ASP A 40 -13.646 -16.588 -42.586 1.00 2.00 C ATOM 605 CG ASP A 40 -13.510 -18.096 -42.558 1.00 43.15 C ATOM 606 OD1 ASP A 40 -14.484 -18.773 -42.164 1.00 34.04 O ATOM 607 OD2 ASP A 40 -12.430 -18.602 -42.929 1.00 1.34 O1- ATOM 0 H ASP A 40 -11.906 -17.520 -40.912 1.00 23.32 H new ATOM 0 HA ASP A 40 -13.082 -14.871 -41.424 1.00 31.44 H new ATOM 0 HB2 ASP A 40 -14.679 -16.324 -42.813 1.00 2.00 H new ATOM 0 HB3 ASP A 40 -13.030 -16.186 -43.391 1.00 2.00 H new ATOM 612 N GLY A 41 -14.392 -15.212 -39.257 1.00 53.44 N ATOM 613 CA GLY A 41 -15.406 -15.288 -38.222 1.00 32.20 C ATOM 614 C GLY A 41 -16.109 -13.964 -38.002 1.00 70.31 C ATOM 615 O GLY A 41 -15.607 -12.913 -38.399 1.00 4.21 O ATOM 0 H GLY A 41 -13.745 -14.429 -39.167 1.00 53.44 H new ATOM 0 HA2 GLY A 41 -16.141 -16.046 -38.493 1.00 32.20 H new ATOM 0 HA3 GLY A 41 -14.945 -15.611 -37.289 1.00 32.20 H new ATOM 619 N GLU A 42 -17.276 -14.014 -37.368 1.00 72.22 N ATOM 620 CA GLU A 42 -18.051 -12.807 -37.098 1.00 62.11 C ATOM 621 C GLU A 42 -18.013 -12.457 -35.613 1.00 0.55 C ATOM 622 O GLU A 42 -18.363 -13.275 -34.762 1.00 35.52 O ATOM 623 CB GLU A 42 -19.500 -12.993 -37.553 1.00 52.01 C ATOM 624 CG GLU A 42 -19.635 -13.381 -39.015 1.00 63.13 C ATOM 625 CD GLU A 42 -19.383 -12.217 -39.954 1.00 44.24 C ATOM 626 OE1 GLU A 42 -20.324 -11.819 -40.671 1.00 70.21 O ATOM 627 OE2 GLU A 42 -18.245 -11.703 -39.970 1.00 43.43 O1- ATOM 0 H GLU A 42 -17.706 -14.876 -37.032 1.00 72.22 H new ATOM 0 HA GLU A 42 -17.604 -11.986 -37.658 1.00 62.11 H new ATOM 0 HB2 GLU A 42 -19.969 -13.761 -36.938 1.00 52.01 H new ATOM 0 HB3 GLU A 42 -20.048 -12.067 -37.380 1.00 52.01 H new ATOM 0 HG2 GLU A 42 -18.932 -14.183 -39.240 1.00 63.13 H new ATOM 0 HG3 GLU A 42 -20.636 -13.775 -39.191 1.00 63.13 H new ATOM 634 N TRP A 43 -17.586 -11.237 -35.310 1.00 51.13 N ATOM 635 CA TRP A 43 -17.501 -10.778 -33.929 1.00 55.51 C ATOM 636 C TRP A 43 -18.759 -10.015 -33.530 1.00 4.43 C ATOM 637 O TRP A 43 -19.396 -9.369 -34.363 1.00 30.20 O ATOM 638 CB TRP A 43 -16.270 -9.889 -33.739 1.00 40.54 C ATOM 639 CG TRP A 43 -15.076 -10.632 -33.220 1.00 12.12 C ATOM 640 CD1 TRP A 43 -14.509 -10.510 -31.983 1.00 3.53 C ATOM 641 CD2 TRP A 43 -14.302 -11.609 -33.924 1.00 33.33 C ATOM 642 NE1 TRP A 43 -13.430 -11.353 -31.876 1.00 21.33 N ATOM 643 CE2 TRP A 43 -13.281 -12.038 -33.053 1.00 10.54 C ATOM 644 CE3 TRP A 43 -14.371 -12.165 -35.204 1.00 60.40 C ATOM 645 CZ2 TRP A 43 -12.340 -12.995 -33.423 1.00 72.42 C ATOM 646 CZ3 TRP A 43 -13.436 -13.114 -35.570 1.00 54.24 C ATOM 647 CH2 TRP A 43 -12.432 -13.521 -34.683 1.00 0.13 C ATOM 0 H TRP A 43 -17.293 -10.548 -36.002 1.00 51.13 H new ATOM 0 HA TRP A 43 -17.411 -11.654 -33.287 1.00 55.51 H new ATOM 0 HB2 TRP A 43 -16.015 -9.425 -34.692 1.00 40.54 H new ATOM 0 HB3 TRP A 43 -16.516 -9.083 -33.048 1.00 40.54 H new ATOM 0 HD1 TRP A 43 -14.858 -9.848 -31.204 1.00 3.53 H new ATOM 0 HE1 TRP A 43 -12.836 -11.453 -31.053 1.00 21.33 H new ATOM 0 HE3 TRP A 43 -15.142 -11.858 -35.895 1.00 60.40 H new ATOM 0 HZ2 TRP A 43 -11.565 -13.311 -32.740 1.00 72.42 H new ATOM 0 HZ3 TRP A 43 -13.480 -13.549 -36.557 1.00 54.24 H new ATOM 0 HH2 TRP A 43 -11.716 -14.265 -35.000 1.00 0.13 H new ATOM 658 N THR A 44 -19.114 -10.094 -32.251 1.00 11.45 N ATOM 659 CA THR A 44 -20.297 -9.412 -31.743 1.00 25.43 C ATOM 660 C THR A 44 -20.115 -9.008 -30.284 1.00 41.45 C ATOM 661 O THR A 44 -19.630 -9.793 -29.469 1.00 0.05 O ATOM 662 CB THR A 44 -21.553 -10.297 -31.866 1.00 41.34 C ATOM 663 OG1 THR A 44 -21.283 -11.604 -31.348 1.00 73.22 O ATOM 664 CG2 THR A 44 -21.999 -10.404 -33.317 1.00 21.42 C ATOM 0 H THR A 44 -18.598 -10.624 -31.548 1.00 11.45 H new ATOM 0 HA THR A 44 -20.431 -8.517 -32.351 1.00 25.43 H new ATOM 0 HB THR A 44 -22.354 -9.836 -31.289 1.00 41.34 H new ATOM 0 HG1 THR A 44 -20.376 -11.628 -30.977 1.00 73.22 H new ATOM 0 HG21 THR A 44 -22.887 -11.033 -33.379 1.00 21.42 H new ATOM 0 HG22 THR A 44 -22.231 -9.410 -33.701 1.00 21.42 H new ATOM 0 HG23 THR A 44 -21.199 -10.845 -33.912 1.00 21.42 H new ATOM 672 N TYR A 45 -20.509 -7.781 -29.962 1.00 33.31 N ATOM 673 CA TYR A 45 -20.387 -7.274 -28.601 1.00 15.32 C ATOM 674 C TYR A 45 -21.601 -7.664 -27.763 1.00 4.44 C ATOM 675 O TYR A 45 -22.744 -7.452 -28.169 1.00 1.35 O ATOM 676 CB TYR A 45 -20.231 -5.752 -28.614 1.00 33.44 C ATOM 677 CG TYR A 45 -21.464 -5.021 -29.096 1.00 21.31 C ATOM 678 CD1 TYR A 45 -22.423 -4.567 -28.198 1.00 21.15 C ATOM 679 CD2 TYR A 45 -21.671 -4.785 -30.450 1.00 22.51 C ATOM 680 CE1 TYR A 45 -23.551 -3.899 -28.634 1.00 30.52 C ATOM 681 CE2 TYR A 45 -22.795 -4.117 -30.894 1.00 23.44 C ATOM 682 CZ TYR A 45 -23.732 -3.676 -29.983 1.00 60.14 C ATOM 683 OH TYR A 45 -24.854 -3.011 -30.422 1.00 31.25 O ATOM 0 H TYR A 45 -20.915 -7.120 -30.624 1.00 33.31 H new ATOM 0 HA TYR A 45 -19.500 -7.721 -28.152 1.00 15.32 H new ATOM 0 HB2 TYR A 45 -19.987 -5.412 -27.608 1.00 33.44 H new ATOM 0 HB3 TYR A 45 -19.389 -5.487 -29.253 1.00 33.44 H new ATOM 0 HD1 TYR A 45 -22.284 -4.739 -27.141 1.00 21.15 H new ATOM 0 HD2 TYR A 45 -20.941 -5.130 -31.167 1.00 22.51 H new ATOM 0 HE1 TYR A 45 -24.287 -3.553 -27.923 1.00 30.52 H new ATOM 0 HE2 TYR A 45 -22.940 -3.941 -31.950 1.00 23.44 H new ATOM 0 HH TYR A 45 -24.828 -2.936 -31.399 1.00 31.25 H new ATOM 693 N ASP A 46 -21.344 -8.234 -26.591 1.00 20.13 N ATOM 694 CA ASP A 46 -22.414 -8.654 -25.693 1.00 54.12 C ATOM 695 C ASP A 46 -22.319 -7.927 -24.356 1.00 74.42 C ATOM 696 O ASP A 46 -21.811 -8.473 -23.376 1.00 23.32 O ATOM 697 CB ASP A 46 -22.358 -10.167 -25.470 1.00 21.25 C ATOM 698 CG ASP A 46 -22.137 -10.934 -26.759 1.00 71.31 C ATOM 699 OD1 ASP A 46 -21.014 -10.871 -27.302 1.00 23.42 O ATOM 700 OD2 ASP A 46 -23.086 -11.598 -27.224 1.00 42.04 O1- ATOM 0 H ASP A 46 -20.404 -8.416 -26.240 1.00 20.13 H new ATOM 0 HA ASP A 46 -23.366 -8.398 -26.158 1.00 54.12 H new ATOM 0 HB2 ASP A 46 -21.555 -10.399 -24.770 1.00 21.25 H new ATOM 0 HB3 ASP A 46 -23.288 -10.498 -25.008 1.00 21.25 H new ATOM 705 N ASP A 47 -22.807 -6.692 -24.324 1.00 54.10 N ATOM 706 CA ASP A 47 -22.776 -5.889 -23.107 1.00 22.40 C ATOM 707 C ASP A 47 -23.518 -6.591 -21.974 1.00 60.53 C ATOM 708 O ASP A 47 -23.276 -6.319 -20.798 1.00 15.12 O ATOM 709 CB ASP A 47 -23.395 -4.514 -23.362 1.00 42.04 C ATOM 710 CG ASP A 47 -22.785 -3.434 -22.490 1.00 23.55 C ATOM 711 OD1 ASP A 47 -23.045 -3.441 -21.268 1.00 10.12 O ATOM 712 OD2 ASP A 47 -22.048 -2.581 -23.029 1.00 52.51 O1- ATOM 0 H ASP A 47 -23.229 -6.225 -25.127 1.00 54.10 H new ATOM 0 HA ASP A 47 -21.734 -5.761 -22.812 1.00 22.40 H new ATOM 0 HB2 ASP A 47 -23.263 -4.248 -24.411 1.00 42.04 H new ATOM 0 HB3 ASP A 47 -24.468 -4.562 -23.178 1.00 42.04 H new ATOM 717 N ALA A 48 -24.423 -7.494 -22.336 1.00 73.25 N ATOM 718 CA ALA A 48 -25.199 -8.235 -21.351 1.00 64.12 C ATOM 719 C ALA A 48 -24.292 -8.878 -20.307 1.00 44.51 C ATOM 720 O ALA A 48 -24.668 -9.018 -19.143 1.00 30.41 O ATOM 721 CB ALA A 48 -26.050 -9.295 -22.036 1.00 73.11 C ATOM 0 H ALA A 48 -24.637 -7.730 -23.305 1.00 73.25 H new ATOM 0 HA ALA A 48 -25.856 -7.531 -20.840 1.00 64.12 H new ATOM 0 HB1 ALA A 48 -26.624 -9.840 -21.287 1.00 73.11 H new ATOM 0 HB2 ALA A 48 -26.732 -8.816 -22.738 1.00 73.11 H new ATOM 0 HB3 ALA A 48 -25.404 -9.989 -22.574 1.00 73.11 H new ATOM 727 N THR A 49 -23.095 -9.268 -20.731 1.00 51.14 N ATOM 728 CA THR A 49 -22.133 -9.898 -19.834 1.00 43.22 C ATOM 729 C THR A 49 -20.740 -9.310 -20.021 1.00 20.11 C ATOM 730 O THR A 49 -19.746 -9.889 -19.581 1.00 63.41 O ATOM 731 CB THR A 49 -22.070 -11.421 -20.058 1.00 2.41 C ATOM 732 OG1 THR A 49 -21.176 -12.017 -19.112 1.00 44.13 O ATOM 733 CG2 THR A 49 -21.609 -11.741 -21.472 1.00 1.21 C ATOM 0 H THR A 49 -22.767 -9.159 -21.691 1.00 51.14 H new ATOM 0 HA THR A 49 -22.473 -9.702 -18.817 1.00 43.22 H new ATOM 0 HB THR A 49 -23.071 -11.829 -19.919 1.00 2.41 H new ATOM 0 HG1 THR A 49 -20.358 -11.481 -19.052 1.00 44.13 H new ATOM 0 HG21 THR A 49 -21.572 -12.822 -21.607 1.00 1.21 H new ATOM 0 HG22 THR A 49 -22.308 -11.309 -22.189 1.00 1.21 H new ATOM 0 HG23 THR A 49 -20.616 -11.321 -21.635 1.00 1.21 H new ATOM 741 N LYS A 50 -20.672 -8.156 -20.677 1.00 43.34 N ATOM 742 CA LYS A 50 -19.399 -7.488 -20.922 1.00 34.34 C ATOM 743 C LYS A 50 -18.395 -8.445 -21.556 1.00 15.35 C ATOM 744 O LYS A 50 -17.247 -8.537 -21.118 1.00 61.42 O ATOM 745 CB LYS A 50 -18.834 -6.930 -19.614 1.00 73.32 C ATOM 746 CG LYS A 50 -19.760 -5.947 -18.921 1.00 51.01 C ATOM 747 CD LYS A 50 -19.928 -4.672 -19.730 1.00 73.55 C ATOM 748 CE LYS A 50 -20.814 -3.667 -19.010 1.00 40.03 C ATOM 749 NZ LYS A 50 -20.676 -2.298 -19.581 1.00 63.54 N1+ ATOM 0 H LYS A 50 -21.484 -7.664 -21.049 1.00 43.34 H new ATOM 0 HA LYS A 50 -19.576 -6.665 -21.615 1.00 34.34 H new ATOM 0 HB2 LYS A 50 -18.624 -7.758 -18.937 1.00 73.32 H new ATOM 0 HB3 LYS A 50 -17.884 -6.438 -19.820 1.00 73.32 H new ATOM 0 HG2 LYS A 50 -20.734 -6.411 -18.766 1.00 51.01 H new ATOM 0 HG3 LYS A 50 -19.362 -5.704 -17.936 1.00 51.01 H new ATOM 0 HD2 LYS A 50 -18.951 -4.228 -19.918 1.00 73.55 H new ATOM 0 HD3 LYS A 50 -20.362 -4.911 -20.701 1.00 73.55 H new ATOM 0 HE2 LYS A 50 -21.854 -3.986 -19.078 1.00 40.03 H new ATOM 0 HE3 LYS A 50 -20.555 -3.647 -17.951 1.00 40.03 H new ATOM 0 HZ1 LYS A 50 -20.828 -1.593 -18.832 1.00 63.54 H new ATOM 0 HZ2 LYS A 50 -19.722 -2.182 -19.978 1.00 63.54 H new ATOM 0 HZ3 LYS A 50 -21.382 -2.163 -20.332 1.00 63.54 H new ATOM 763 N THR A 51 -18.833 -9.156 -22.590 1.00 24.34 N ATOM 764 CA THR A 51 -17.972 -10.105 -23.285 1.00 44.02 C ATOM 765 C THR A 51 -18.235 -10.090 -24.786 1.00 73.53 C ATOM 766 O THR A 51 -19.358 -9.845 -25.227 1.00 14.21 O ATOM 767 CB THR A 51 -18.174 -11.537 -22.754 1.00 41.02 C ATOM 768 OG1 THR A 51 -18.012 -11.561 -21.332 1.00 32.22 O ATOM 769 CG2 THR A 51 -17.184 -12.497 -23.397 1.00 71.14 C ATOM 0 H THR A 51 -19.779 -9.093 -22.965 1.00 24.34 H new ATOM 0 HA THR A 51 -16.944 -9.796 -23.097 1.00 44.02 H new ATOM 0 HB THR A 51 -19.185 -11.855 -23.009 1.00 41.02 H new ATOM 0 HG1 THR A 51 -18.701 -11.003 -20.915 1.00 32.22 H new ATOM 0 HG21 THR A 51 -17.346 -13.502 -23.007 1.00 71.14 H new ATOM 0 HG22 THR A 51 -17.329 -12.500 -24.477 1.00 71.14 H new ATOM 0 HG23 THR A 51 -16.167 -12.178 -23.168 1.00 71.14 H new ATOM 777 N PHE A 52 -17.193 -10.354 -25.567 1.00 5.23 N ATOM 778 CA PHE A 52 -17.311 -10.370 -27.020 1.00 4.32 C ATOM 779 C PHE A 52 -17.525 -11.791 -27.533 1.00 0.13 C ATOM 780 O PHE A 52 -16.673 -12.662 -27.356 1.00 73.45 O ATOM 781 CB PHE A 52 -16.060 -9.766 -27.662 1.00 11.55 C ATOM 782 CG PHE A 52 -15.627 -8.474 -27.033 1.00 52.41 C ATOM 783 CD1 PHE A 52 -14.477 -8.413 -26.262 1.00 44.43 C ATOM 784 CD2 PHE A 52 -16.371 -7.318 -27.209 1.00 61.32 C ATOM 785 CE1 PHE A 52 -14.076 -7.225 -25.682 1.00 54.10 C ATOM 786 CE2 PHE A 52 -15.975 -6.127 -26.632 1.00 14.44 C ATOM 787 CZ PHE A 52 -14.827 -6.080 -25.866 1.00 65.43 C ATOM 0 H PHE A 52 -16.257 -10.560 -25.218 1.00 5.23 H new ATOM 0 HA PHE A 52 -18.178 -9.769 -27.295 1.00 4.32 H new ATOM 0 HB2 PHE A 52 -15.244 -10.485 -27.594 1.00 11.55 H new ATOM 0 HB3 PHE A 52 -16.250 -9.599 -28.722 1.00 11.55 H new ATOM 0 HD1 PHE A 52 -13.887 -9.305 -26.113 1.00 44.43 H new ATOM 0 HD2 PHE A 52 -17.271 -7.349 -27.805 1.00 61.32 H new ATOM 0 HE1 PHE A 52 -13.176 -7.191 -25.085 1.00 54.10 H new ATOM 0 HE2 PHE A 52 -16.563 -5.233 -26.780 1.00 14.44 H new ATOM 0 HZ PHE A 52 -14.517 -5.150 -25.412 1.00 65.43 H new ATOM 797 N THR A 53 -18.670 -12.018 -28.170 1.00 65.24 N ATOM 798 CA THR A 53 -18.997 -13.332 -28.707 1.00 62.11 C ATOM 799 C THR A 53 -18.611 -13.438 -30.177 1.00 71.13 C ATOM 800 O THR A 53 -18.872 -12.528 -30.966 1.00 25.23 O ATOM 801 CB THR A 53 -20.500 -13.641 -28.559 1.00 22.10 C ATOM 802 OG1 THR A 53 -20.886 -13.547 -27.184 1.00 4.10 O ATOM 803 CG2 THR A 53 -20.820 -15.031 -29.088 1.00 73.15 C ATOM 0 H THR A 53 -19.386 -11.308 -28.326 1.00 65.24 H new ATOM 0 HA THR A 53 -18.425 -14.059 -28.131 1.00 62.11 H new ATOM 0 HB THR A 53 -21.059 -12.910 -29.143 1.00 22.10 H new ATOM 0 HG1 THR A 53 -21.862 -13.600 -27.114 1.00 4.10 H new ATOM 0 HG21 THR A 53 -21.886 -15.227 -28.973 1.00 73.15 H new ATOM 0 HG22 THR A 53 -20.552 -15.090 -30.143 1.00 73.15 H new ATOM 0 HG23 THR A 53 -20.252 -15.773 -28.527 1.00 73.15 H new ATOM 811 N VAL A 54 -17.987 -14.553 -30.543 1.00 32.13 N ATOM 812 CA VAL A 54 -17.566 -14.778 -31.920 1.00 13.12 C ATOM 813 C VAL A 54 -18.235 -16.017 -32.505 1.00 43.23 C ATOM 814 O VAL A 54 -17.862 -17.146 -32.185 1.00 33.41 O ATOM 815 CB VAL A 54 -16.037 -14.937 -32.021 1.00 22.02 C ATOM 816 CG1 VAL A 54 -15.601 -14.996 -33.477 1.00 5.33 C ATOM 817 CG2 VAL A 54 -15.333 -13.803 -31.290 1.00 23.13 C ATOM 0 H VAL A 54 -17.762 -15.315 -29.904 1.00 32.13 H new ATOM 0 HA VAL A 54 -17.871 -13.901 -32.491 1.00 13.12 H new ATOM 0 HB VAL A 54 -15.755 -15.876 -31.544 1.00 22.02 H new ATOM 0 HG11 VAL A 54 -14.518 -15.108 -33.528 1.00 5.33 H new ATOM 0 HG12 VAL A 54 -16.078 -15.846 -33.965 1.00 5.33 H new ATOM 0 HG13 VAL A 54 -15.895 -14.076 -33.982 1.00 5.33 H new ATOM 0 HG21 VAL A 54 -14.254 -13.932 -31.372 1.00 23.13 H new ATOM 0 HG22 VAL A 54 -15.619 -12.850 -31.735 1.00 23.13 H new ATOM 0 HG23 VAL A 54 -15.621 -13.814 -30.239 1.00 23.13 H new ATOM 827 N THR A 55 -19.224 -15.798 -33.364 1.00 72.51 N ATOM 828 CA THR A 55 -19.947 -16.897 -33.994 1.00 13.41 C ATOM 829 C THR A 55 -19.604 -17.004 -35.476 1.00 72.34 C ATOM 830 O THR A 55 -20.098 -16.230 -36.293 1.00 31.15 O ATOM 831 CB THR A 55 -21.470 -16.727 -33.842 1.00 42.42 C ATOM 832 OG1 THR A 55 -21.809 -15.336 -33.823 1.00 62.32 O ATOM 833 CG2 THR A 55 -21.965 -17.393 -32.567 1.00 41.24 C ATOM 0 H THR A 55 -19.544 -14.870 -33.640 1.00 72.51 H new ATOM 0 HA THR A 55 -19.638 -17.811 -33.486 1.00 13.41 H new ATOM 0 HB THR A 55 -21.953 -17.206 -34.694 1.00 42.42 H new ATOM 0 HG1 THR A 55 -22.779 -15.237 -33.728 1.00 62.32 H new ATOM 0 HG21 THR A 55 -23.043 -17.259 -32.482 1.00 41.24 H new ATOM 0 HG22 THR A 55 -21.733 -18.457 -32.599 1.00 41.24 H new ATOM 0 HG23 THR A 55 -21.474 -16.940 -31.706 1.00 41.24 H new ATOM 841 N GLU A 56 -18.753 -17.968 -35.813 1.00 35.15 N ATOM 842 CA GLU A 56 -18.344 -18.175 -37.197 1.00 50.02 C ATOM 843 C GLU A 56 -19.519 -18.655 -38.045 1.00 33.31 C ATOM 844 O GLU A 56 -19.494 -18.551 -39.271 1.00 34.50 O ATOM 845 CB GLU A 56 -17.201 -19.189 -37.269 1.00 71.10 C ATOM 846 CG GLU A 56 -17.554 -20.546 -36.682 1.00 33.33 C ATOM 847 CD GLU A 56 -16.359 -21.477 -36.608 1.00 43.00 C ATOM 848 OE1 GLU A 56 -15.252 -20.997 -36.287 1.00 54.40 O ATOM 849 OE2 GLU A 56 -16.532 -22.686 -36.871 1.00 45.43 O1- ATOM 0 H GLU A 56 -18.334 -18.617 -35.147 1.00 35.15 H new ATOM 0 HA GLU A 56 -17.998 -17.220 -37.593 1.00 50.02 H new ATOM 0 HB2 GLU A 56 -16.906 -19.318 -38.310 1.00 71.10 H new ATOM 0 HB3 GLU A 56 -16.336 -18.788 -36.740 1.00 71.10 H new ATOM 0 HG2 GLU A 56 -17.966 -20.409 -35.682 1.00 33.33 H new ATOM 0 HG3 GLU A 56 -18.333 -21.008 -37.288 1.00 33.33 H new TER 856 GLU A 56