USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot -74:sc= 1.29 USER MOD Set 1.2: A 51 THR OG1 : rot -174:sc= 0.992 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.408 K(o=-1.3,f=-2.4) USER MOD Set 2.2: A 35 ASN : amide:sc= -0.902 K(o=-1.3,f=-2.4!) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 138:sc= 0.191 (180deg=-1.62!) USER MOD Set 3.2: A 17 THR OG1 : rot 80:sc= -1.36 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.13 (180deg=-0.807) USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.137 USER MOD Single : A 8 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.7!) 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= -0.178 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.198 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 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.481 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.798 -2.337 -4.761 1.00 15.35 N ATOM 2 CA MET A 1 -13.688 -1.782 -5.774 1.00 64.15 C ATOM 3 C MET A 1 -12.994 -0.671 -6.556 1.00 23.20 C ATOM 4 O MET A 1 -12.769 0.422 -6.034 1.00 10.33 O ATOM 5 CB MET A 1 -14.965 -1.246 -5.125 1.00 30.42 C ATOM 6 CG MET A 1 -15.613 -2.225 -4.160 1.00 51.25 C ATOM 7 SD MET A 1 -16.268 -3.686 -4.988 1.00 5.34 S ATOM 8 CE MET A 1 -17.080 -4.513 -3.623 1.00 31.54 C ATOM 0 H1 MET A 1 -13.165 -3.257 -4.443 1.00 15.35 H new ATOM 0 H2 MET A 1 -11.848 -2.464 -5.165 1.00 15.35 H new ATOM 0 H3 MET A 1 -12.745 -1.687 -3.951 1.00 15.35 H new ATOM 0 HA MET A 1 -13.951 -2.580 -6.468 1.00 64.15 H new ATOM 0 HB2 MET A 1 -14.733 -0.324 -4.593 1.00 30.42 H new ATOM 0 HB3 MET A 1 -15.681 -0.991 -5.907 1.00 30.42 H new ATOM 0 HG2 MET A 1 -14.880 -2.533 -3.414 1.00 51.25 H new ATOM 0 HG3 MET A 1 -16.420 -1.723 -3.626 1.00 51.25 H new ATOM 0 HE1 MET A 1 -17.536 -5.438 -3.977 1.00 31.54 H new ATOM 0 HE2 MET A 1 -16.348 -4.742 -2.849 1.00 31.54 H new ATOM 0 HE3 MET A 1 -17.852 -3.863 -3.211 1.00 31.54 H new ATOM 18 N THR A 2 -12.658 -0.955 -7.810 1.00 31.03 N ATOM 19 CA THR A 2 -11.990 0.019 -8.662 1.00 51.24 C ATOM 20 C THR A 2 -12.977 0.691 -9.610 1.00 42.33 C ATOM 21 O THR A 2 -13.763 0.020 -10.282 1.00 23.34 O ATOM 22 CB THR A 2 -10.866 -0.635 -9.489 1.00 44.04 C ATOM 23 OG1 THR A 2 -11.414 -1.640 -10.350 1.00 33.43 O ATOM 24 CG2 THR A 2 -9.816 -1.254 -8.580 1.00 65.01 C ATOM 0 H THR A 2 -12.838 -1.853 -8.258 1.00 31.03 H new ATOM 0 HA THR A 2 -11.556 0.770 -8.002 1.00 51.24 H new ATOM 0 HB THR A 2 -10.390 0.138 -10.092 1.00 44.04 H new ATOM 0 HG1 THR A 2 -12.286 -1.344 -10.685 1.00 33.43 H new ATOM 0 HG21 THR A 2 -9.033 -1.710 -9.186 1.00 65.01 H new ATOM 0 HG22 THR A 2 -9.381 -0.481 -7.947 1.00 65.01 H new ATOM 0 HG23 THR A 2 -10.280 -2.016 -7.954 1.00 65.01 H new ATOM 32 N PHE A 3 -12.935 2.017 -9.659 1.00 14.21 N ATOM 33 CA PHE A 3 -13.827 2.780 -10.525 1.00 11.03 C ATOM 34 C PHE A 3 -13.085 3.293 -11.754 1.00 1.44 C ATOM 35 O PHE A 3 -11.862 3.442 -11.739 1.00 51.21 O ATOM 36 CB PHE A 3 -14.437 3.954 -9.756 1.00 63.43 C ATOM 37 CG PHE A 3 -15.624 3.572 -8.920 1.00 1.05 C ATOM 38 CD1 PHE A 3 -16.898 3.993 -9.268 1.00 40.25 C ATOM 39 CD2 PHE A 3 -15.467 2.793 -7.785 1.00 64.04 C ATOM 40 CE1 PHE A 3 -17.992 3.643 -8.501 1.00 60.15 C ATOM 41 CE2 PHE A 3 -16.559 2.439 -7.015 1.00 41.21 C ATOM 42 CZ PHE A 3 -17.823 2.866 -7.373 1.00 21.42 C ATOM 0 H PHE A 3 -12.292 2.587 -9.109 1.00 14.21 H new ATOM 0 HA PHE A 3 -14.626 2.117 -10.856 1.00 11.03 H new ATOM 0 HB2 PHE A 3 -13.674 4.391 -9.111 1.00 63.43 H new ATOM 0 HB3 PHE A 3 -14.736 4.726 -10.465 1.00 63.43 H new ATOM 0 HD1 PHE A 3 -17.037 4.602 -10.149 1.00 40.25 H new ATOM 0 HD2 PHE A 3 -14.481 2.459 -7.499 1.00 64.04 H new ATOM 0 HE1 PHE A 3 -18.979 3.977 -8.784 1.00 60.15 H new ATOM 0 HE2 PHE A 3 -16.424 1.829 -6.134 1.00 41.21 H new ATOM 0 HZ PHE A 3 -18.677 2.592 -6.771 1.00 21.42 H new ATOM 52 N LYS A 4 -13.832 3.560 -12.820 1.00 3.25 N ATOM 53 CA LYS A 4 -13.246 4.057 -14.061 1.00 54.54 C ATOM 54 C LYS A 4 -14.069 5.210 -14.625 1.00 41.11 C ATOM 55 O LYS A 4 -15.272 5.076 -14.854 1.00 61.11 O ATOM 56 CB LYS A 4 -13.153 2.930 -15.091 1.00 3.33 C ATOM 57 CG LYS A 4 -12.647 3.388 -16.449 1.00 44.53 C ATOM 58 CD LYS A 4 -12.725 2.272 -17.478 1.00 33.45 C ATOM 59 CE LYS A 4 -11.464 1.421 -17.472 1.00 60.12 C ATOM 60 NZ LYS A 4 -11.447 0.460 -16.335 1.00 34.34 N1+ ATOM 0 H LYS A 4 -14.845 3.441 -12.850 1.00 3.25 H new ATOM 0 HA LYS A 4 -12.243 4.423 -13.841 1.00 54.54 H new ATOM 0 HB2 LYS A 4 -12.491 2.153 -14.709 1.00 3.33 H new ATOM 0 HB3 LYS A 4 -14.137 2.478 -15.213 1.00 3.33 H new ATOM 0 HG2 LYS A 4 -13.236 4.240 -16.789 1.00 44.53 H new ATOM 0 HG3 LYS A 4 -11.616 3.729 -16.358 1.00 44.53 H new ATOM 0 HD2 LYS A 4 -13.591 1.643 -17.270 1.00 33.45 H new ATOM 0 HD3 LYS A 4 -12.872 2.699 -18.470 1.00 33.45 H new ATOM 0 HE2 LYS A 4 -11.392 0.873 -18.411 1.00 60.12 H new ATOM 0 HE3 LYS A 4 -10.589 2.069 -17.413 1.00 60.12 H new ATOM 0 HZ1 LYS A 4 -11.096 -0.462 -16.665 1.00 34.34 H new ATOM 0 HZ2 LYS A 4 -10.823 0.820 -15.585 1.00 34.34 H new ATOM 0 HZ3 LYS A 4 -12.411 0.349 -15.960 1.00 34.34 H new ATOM 74 N LEU A 5 -13.413 6.343 -14.850 1.00 1.44 N ATOM 75 CA LEU A 5 -14.084 7.521 -15.391 1.00 1.13 C ATOM 76 C LEU A 5 -13.943 7.578 -16.909 1.00 71.35 C ATOM 77 O LEU A 5 -12.845 7.765 -17.434 1.00 1.22 O ATOM 78 CB LEU A 5 -13.507 8.792 -14.766 1.00 31.14 C ATOM 79 CG LEU A 5 -13.404 8.803 -13.240 1.00 44.21 C ATOM 80 CD1 LEU A 5 -12.032 8.323 -12.795 1.00 25.24 C ATOM 81 CD2 LEU A 5 -13.687 10.196 -12.696 1.00 23.24 C ATOM 0 H LEU A 5 -12.418 6.471 -14.667 1.00 1.44 H new ATOM 0 HA LEU A 5 -15.144 7.451 -15.145 1.00 1.13 H new ATOM 0 HB2 LEU A 5 -12.511 8.956 -15.178 1.00 31.14 H new ATOM 0 HB3 LEU A 5 -14.123 9.637 -15.075 1.00 31.14 H new ATOM 0 HG LEU A 5 -14.153 8.120 -12.839 1.00 44.21 H new ATOM 0 HD11 LEU A 5 -11.977 8.337 -11.706 1.00 25.24 H new ATOM 0 HD12 LEU A 5 -11.868 7.307 -13.153 1.00 25.24 H new ATOM 0 HD13 LEU A 5 -11.266 8.980 -13.206 1.00 25.24 H new ATOM 0 HD21 LEU A 5 -13.609 10.185 -11.609 1.00 23.24 H new ATOM 0 HD22 LEU A 5 -12.962 10.900 -13.104 1.00 23.24 H new ATOM 0 HD23 LEU A 5 -14.693 10.502 -12.985 1.00 23.24 H new ATOM 93 N ILE A 6 -15.062 7.418 -17.608 1.00 24.13 N ATOM 94 CA ILE A 6 -15.065 7.455 -19.065 1.00 62.22 C ATOM 95 C ILE A 6 -15.946 8.586 -19.584 1.00 53.35 C ATOM 96 O ILE A 6 -17.172 8.472 -19.602 1.00 75.11 O ATOM 97 CB ILE A 6 -15.552 6.122 -19.661 1.00 63.11 C ATOM 98 CG1 ILE A 6 -14.706 4.963 -19.133 1.00 32.15 C ATOM 99 CG2 ILE A 6 -15.503 6.172 -21.181 1.00 54.12 C ATOM 100 CD1 ILE A 6 -13.235 5.087 -19.465 1.00 20.03 C ATOM 0 H ILE A 6 -15.978 7.261 -17.188 1.00 24.13 H new ATOM 0 HA ILE A 6 -14.036 7.628 -19.379 1.00 62.22 H new ATOM 0 HB ILE A 6 -16.586 5.961 -19.356 1.00 63.11 H new ATOM 0 HG12 ILE A 6 -14.822 4.903 -18.051 1.00 32.15 H new ATOM 0 HG13 ILE A 6 -15.086 4.029 -19.547 1.00 32.15 H new ATOM 0 HG21 ILE A 6 -15.850 5.222 -21.588 1.00 54.12 H new ATOM 0 HG22 ILE A 6 -16.145 6.977 -21.539 1.00 54.12 H new ATOM 0 HG23 ILE A 6 -14.479 6.353 -21.506 1.00 54.12 H new ATOM 0 HD11 ILE A 6 -12.697 4.230 -19.059 1.00 20.03 H new ATOM 0 HD12 ILE A 6 -13.107 5.116 -20.547 1.00 20.03 H new ATOM 0 HD13 ILE A 6 -12.839 6.004 -19.028 1.00 20.03 H new ATOM 112 N ILE A 7 -15.314 9.674 -20.010 1.00 30.14 N ATOM 113 CA ILE A 7 -16.042 10.823 -20.534 1.00 34.51 C ATOM 114 C ILE A 7 -16.379 10.635 -22.009 1.00 52.33 C ATOM 115 O ILE A 7 -15.491 10.615 -22.862 1.00 72.34 O ATOM 116 CB ILE A 7 -15.236 12.125 -20.365 1.00 62.11 C ATOM 117 CG1 ILE A 7 -14.908 12.360 -18.890 1.00 32.31 C ATOM 118 CG2 ILE A 7 -16.008 13.305 -20.936 1.00 14.31 C ATOM 119 CD1 ILE A 7 -13.632 11.684 -18.438 1.00 75.32 C ATOM 0 H ILE A 7 -14.300 9.784 -20.003 1.00 30.14 H new ATOM 0 HA ILE A 7 -16.965 10.900 -19.960 1.00 34.51 H new ATOM 0 HB ILE A 7 -14.300 12.028 -20.915 1.00 62.11 H new ATOM 0 HG12 ILE A 7 -14.824 13.432 -18.711 1.00 32.31 H new ATOM 0 HG13 ILE A 7 -15.736 11.999 -18.280 1.00 32.31 H new ATOM 0 HG21 ILE A 7 -15.425 14.217 -20.809 1.00 14.31 H new ATOM 0 HG22 ILE A 7 -16.195 13.139 -21.997 1.00 14.31 H new ATOM 0 HG23 ILE A 7 -16.958 13.406 -20.412 1.00 14.31 H new ATOM 0 HD11 ILE A 7 -13.463 11.894 -17.382 1.00 75.32 H new ATOM 0 HD12 ILE A 7 -13.719 10.607 -18.584 1.00 75.32 H new ATOM 0 HD13 ILE A 7 -12.793 12.063 -19.022 1.00 75.32 H new ATOM 131 N ASN A 8 -17.667 10.499 -22.304 1.00 40.13 N ATOM 132 CA ASN A 8 -18.122 10.314 -23.677 1.00 12.04 C ATOM 133 C ASN A 8 -18.352 11.659 -24.360 1.00 11.01 C ATOM 134 O ASN A 8 -19.383 12.299 -24.163 1.00 0.32 O ATOM 135 CB ASN A 8 -19.412 9.490 -23.703 1.00 61.05 C ATOM 136 CG ASN A 8 -19.143 7.997 -23.736 1.00 42.52 C ATOM 137 OD1 ASN A 8 -17.993 7.561 -23.682 1.00 24.41 O ATOM 138 ND2 ASN A 8 -20.206 7.207 -23.828 1.00 64.13 N ATOM 0 H ASN A 8 -18.415 10.513 -21.610 1.00 40.13 H new ATOM 0 HA ASN A 8 -17.345 9.778 -24.221 1.00 12.04 H new ATOM 0 HB2 ASN A 8 -20.011 9.729 -22.824 1.00 61.05 H new ATOM 0 HB3 ASN A 8 -20.001 9.770 -24.576 1.00 61.05 H new ATOM 0 HD21 ASN A 8 -20.088 6.194 -23.857 1.00 64.13 H new ATOM 0 HD22 ASN A 8 -21.141 7.613 -23.870 1.00 64.13 H new ATOM 145 N GLY A 9 -17.382 12.080 -25.166 1.00 55.13 N ATOM 146 CA GLY A 9 -17.497 13.346 -25.866 1.00 54.33 C ATOM 147 C GLY A 9 -16.848 13.312 -27.236 1.00 12.13 C ATOM 148 O GLY A 9 -16.107 12.382 -27.556 1.00 31.02 O ATOM 0 H GLY A 9 -16.519 11.567 -25.347 1.00 55.13 H new ATOM 0 HA2 GLY A 9 -18.551 13.604 -25.973 1.00 54.33 H new ATOM 0 HA3 GLY A 9 -17.035 14.132 -25.268 1.00 54.33 H new ATOM 152 N LYS A 10 -17.127 14.327 -28.047 1.00 45.12 N ATOM 153 CA LYS A 10 -16.565 14.411 -29.390 1.00 44.22 C ATOM 154 C LYS A 10 -15.275 15.224 -29.391 1.00 23.05 C ATOM 155 O LYS A 10 -14.409 15.035 -30.245 1.00 25.41 O ATOM 156 CB LYS A 10 -17.578 15.039 -30.349 1.00 31.12 C ATOM 157 CG LYS A 10 -18.079 16.401 -29.900 1.00 10.22 C ATOM 158 CD LYS A 10 -19.471 16.313 -29.300 1.00 41.21 C ATOM 159 CE LYS A 10 -20.514 15.980 -30.356 1.00 15.11 C ATOM 160 NZ LYS A 10 -21.023 17.202 -31.037 1.00 12.24 N1+ ATOM 0 H LYS A 10 -17.739 15.104 -27.797 1.00 45.12 H new ATOM 0 HA LYS A 10 -16.335 13.400 -29.725 1.00 44.22 H new ATOM 0 HB2 LYS A 10 -17.121 15.136 -31.334 1.00 31.12 H new ATOM 0 HB3 LYS A 10 -18.429 14.366 -30.457 1.00 31.12 H new ATOM 0 HG2 LYS A 10 -17.391 16.819 -29.165 1.00 10.22 H new ATOM 0 HG3 LYS A 10 -18.091 17.084 -30.750 1.00 10.22 H new ATOM 0 HD2 LYS A 10 -19.485 15.551 -28.521 1.00 41.21 H new ATOM 0 HD3 LYS A 10 -19.724 17.260 -28.824 1.00 41.21 H new ATOM 0 HE2 LYS A 10 -20.080 15.306 -31.095 1.00 15.11 H new ATOM 0 HE3 LYS A 10 -21.345 15.450 -29.891 1.00 15.11 H new ATOM 0 HZ1 LYS A 10 -21.731 16.933 -31.749 1.00 12.24 H new ATOM 0 HZ2 LYS A 10 -21.460 17.834 -30.336 1.00 12.24 H new ATOM 0 HZ3 LYS A 10 -20.234 17.694 -31.502 1.00 12.24 H new ATOM 174 N THR A 11 -15.153 16.131 -28.426 1.00 4.01 N ATOM 175 CA THR A 11 -13.969 16.974 -28.315 1.00 71.41 C ATOM 176 C THR A 11 -13.101 16.551 -27.135 1.00 70.40 C ATOM 177 O THR A 11 -11.883 16.416 -27.262 1.00 41.44 O ATOM 178 CB THR A 11 -14.348 18.458 -28.154 1.00 75.24 C ATOM 179 OG1 THR A 11 -15.521 18.750 -28.921 1.00 62.30 O ATOM 180 CG2 THR A 11 -13.207 19.360 -28.598 1.00 75.13 C ATOM 0 H THR A 11 -15.860 16.300 -27.710 1.00 4.01 H new ATOM 0 HA THR A 11 -13.405 16.850 -29.240 1.00 71.41 H new ATOM 0 HB THR A 11 -14.548 18.646 -27.099 1.00 75.24 H new ATOM 0 HG1 THR A 11 -15.756 19.695 -28.812 1.00 62.30 H new ATOM 0 HG21 THR A 11 -13.499 20.403 -28.475 1.00 75.13 H new ATOM 0 HG22 THR A 11 -12.325 19.156 -27.991 1.00 75.13 H new ATOM 0 HG23 THR A 11 -12.979 19.168 -29.646 1.00 75.13 H new ATOM 188 N LEU A 12 -13.735 16.344 -25.986 1.00 10.53 N ATOM 189 CA LEU A 12 -13.021 15.935 -24.781 1.00 24.45 C ATOM 190 C LEU A 12 -13.159 14.434 -24.549 1.00 20.43 C ATOM 191 O LEU A 12 -14.189 13.838 -24.865 1.00 60.15 O ATOM 192 CB LEU A 12 -13.548 16.701 -23.567 1.00 64.24 C ATOM 193 CG LEU A 12 -12.848 16.416 -22.238 1.00 74.53 C ATOM 194 CD1 LEU A 12 -12.908 17.635 -21.331 1.00 13.05 C ATOM 195 CD2 LEU A 12 -13.474 15.210 -21.554 1.00 70.04 C ATOM 0 H LEU A 12 -14.742 16.453 -25.863 1.00 10.53 H new ATOM 0 HA LEU A 12 -11.965 16.167 -24.918 1.00 24.45 H new ATOM 0 HB2 LEU A 12 -13.470 17.768 -23.774 1.00 64.24 H new ATOM 0 HB3 LEU A 12 -14.608 16.475 -23.452 1.00 64.24 H new ATOM 0 HG LEU A 12 -11.801 16.191 -22.442 1.00 74.53 H new ATOM 0 HD11 LEU A 12 -12.405 17.413 -20.390 1.00 13.05 H new ATOM 0 HD12 LEU A 12 -12.413 18.475 -21.818 1.00 13.05 H new ATOM 0 HD13 LEU A 12 -13.949 17.891 -21.134 1.00 13.05 H new ATOM 0 HD21 LEU A 12 -12.963 15.022 -20.610 1.00 70.04 H new ATOM 0 HD22 LEU A 12 -14.529 15.407 -21.363 1.00 70.04 H new ATOM 0 HD23 LEU A 12 -13.379 14.336 -22.198 1.00 70.04 H new ATOM 207 N LYS A 13 -12.117 13.828 -23.991 1.00 54.31 N ATOM 208 CA LYS A 13 -12.122 12.397 -23.712 1.00 1.32 C ATOM 209 C LYS A 13 -11.095 12.048 -22.639 1.00 1.23 C ATOM 210 O LYS A 13 -9.900 12.282 -22.811 1.00 52.21 O ATOM 211 CB LYS A 13 -11.830 11.606 -24.989 1.00 51.43 C ATOM 212 CG LYS A 13 -12.423 10.208 -24.989 1.00 3.42 C ATOM 213 CD LYS A 13 -13.833 10.200 -25.555 1.00 73.01 C ATOM 214 CE LYS A 13 -14.595 8.952 -25.137 1.00 63.41 C ATOM 215 NZ LYS A 13 -14.123 7.742 -25.865 1.00 44.44 N1+ ATOM 0 H LYS A 13 -11.257 14.306 -23.723 1.00 54.31 H new ATOM 0 HA LYS A 13 -13.112 12.128 -23.344 1.00 1.32 H new ATOM 0 HB2 LYS A 13 -12.221 12.157 -25.845 1.00 51.43 H new ATOM 0 HB3 LYS A 13 -10.751 11.533 -25.122 1.00 51.43 H new ATOM 0 HG2 LYS A 13 -11.790 9.543 -25.577 1.00 3.42 H new ATOM 0 HG3 LYS A 13 -12.436 9.817 -23.971 1.00 3.42 H new ATOM 0 HD2 LYS A 13 -14.368 11.086 -25.213 1.00 73.01 H new ATOM 0 HD3 LYS A 13 -13.790 10.254 -26.643 1.00 73.01 H new ATOM 0 HE2 LYS A 13 -14.479 8.798 -24.064 1.00 63.41 H new ATOM 0 HE3 LYS A 13 -15.659 9.097 -25.325 1.00 63.41 H new ATOM 0 HZ1 LYS A 13 -14.668 6.914 -25.551 1.00 44.44 H new ATOM 0 HZ2 LYS A 13 -14.257 7.878 -26.887 1.00 44.44 H new ATOM 0 HZ3 LYS A 13 -13.114 7.589 -25.666 1.00 44.44 H new ATOM 229 N GLY A 14 -11.570 11.484 -21.532 1.00 54.42 N ATOM 230 CA GLY A 14 -10.680 11.111 -20.448 1.00 2.12 C ATOM 231 C GLY A 14 -10.883 9.677 -19.999 1.00 75.42 C ATOM 232 O GLY A 14 -12.016 9.214 -19.876 1.00 63.11 O ATOM 0 H GLY A 14 -12.555 11.279 -21.367 1.00 54.42 H new ATOM 0 HA2 GLY A 14 -9.647 11.246 -20.768 1.00 2.12 H new ATOM 0 HA3 GLY A 14 -10.842 11.780 -19.603 1.00 2.12 H new ATOM 236 N GLU A 15 -9.781 8.975 -19.756 1.00 72.23 N ATOM 237 CA GLU A 15 -9.844 7.584 -19.321 1.00 3.51 C ATOM 238 C GLU A 15 -8.848 7.321 -18.195 1.00 1.22 C ATOM 239 O GLU A 15 -7.703 7.771 -18.246 1.00 65.14 O ATOM 240 CB GLU A 15 -9.562 6.646 -20.496 1.00 14.14 C ATOM 241 CG GLU A 15 -9.723 5.174 -20.152 1.00 35.14 C ATOM 242 CD GLU A 15 -10.163 4.342 -21.341 1.00 55.32 C ATOM 243 OE1 GLU A 15 -10.564 3.177 -21.132 1.00 22.32 O ATOM 244 OE2 GLU A 15 -10.108 4.855 -22.478 1.00 15.31 O1- ATOM 0 H GLU A 15 -8.835 9.345 -19.853 1.00 72.23 H new ATOM 0 HA GLU A 15 -10.849 7.392 -18.946 1.00 3.51 H new ATOM 0 HB2 GLU A 15 -10.234 6.894 -21.317 1.00 14.14 H new ATOM 0 HB3 GLU A 15 -8.546 6.818 -20.852 1.00 14.14 H new ATOM 0 HG2 GLU A 15 -8.777 4.788 -19.773 1.00 35.14 H new ATOM 0 HG3 GLU A 15 -10.454 5.070 -19.350 1.00 35.14 H new ATOM 251 N THR A 16 -9.292 6.588 -17.179 1.00 21.54 N ATOM 252 CA THR A 16 -8.442 6.266 -16.040 1.00 1.20 C ATOM 253 C THR A 16 -9.145 5.309 -15.083 1.00 52.23 C ATOM 254 O THR A 16 -10.373 5.219 -15.068 1.00 32.01 O ATOM 255 CB THR A 16 -8.031 7.535 -15.269 1.00 21.41 C ATOM 256 OG1 THR A 16 -7.404 7.175 -14.033 1.00 33.41 O ATOM 257 CG2 THR A 16 -9.239 8.416 -14.994 1.00 3.32 C ATOM 0 H THR A 16 -10.236 6.206 -17.122 1.00 21.54 H new ATOM 0 HA THR A 16 -7.548 5.786 -16.438 1.00 1.20 H new ATOM 0 HB THR A 16 -7.326 8.095 -15.884 1.00 21.41 H new ATOM 0 HG1 THR A 16 -7.144 7.987 -13.549 1.00 33.41 H new ATOM 0 HG21 THR A 16 -8.924 9.306 -14.449 1.00 3.32 H new ATOM 0 HG22 THR A 16 -9.696 8.712 -15.938 1.00 3.32 H new ATOM 0 HG23 THR A 16 -9.964 7.863 -14.397 1.00 3.32 H new ATOM 265 N THR A 17 -8.358 4.596 -14.284 1.00 42.53 N ATOM 266 CA THR A 17 -8.905 3.645 -13.322 1.00 1.45 C ATOM 267 C THR A 17 -7.914 3.369 -12.198 1.00 74.25 C ATOM 268 O THR A 17 -6.709 3.264 -12.429 1.00 42.51 O ATOM 269 CB THR A 17 -9.278 2.314 -14.001 1.00 43.21 C ATOM 270 OG1 THR A 17 -9.938 2.566 -15.246 1.00 52.43 O ATOM 271 CG2 THR A 17 -10.182 1.483 -13.102 1.00 13.34 C ATOM 0 H THR A 17 -7.340 4.658 -14.283 1.00 42.53 H new ATOM 0 HA THR A 17 -9.805 4.097 -12.905 1.00 1.45 H new ATOM 0 HB THR A 17 -8.360 1.756 -14.184 1.00 43.21 H new ATOM 0 HG1 THR A 17 -9.271 2.776 -15.933 1.00 52.43 H new ATOM 0 HG21 THR A 17 -10.432 0.548 -13.602 1.00 13.34 H new ATOM 0 HG22 THR A 17 -9.666 1.267 -12.167 1.00 13.34 H new ATOM 0 HG23 THR A 17 -11.096 2.038 -12.892 1.00 13.34 H new ATOM 279 N THR A 18 -8.429 3.252 -10.978 1.00 40.42 N ATOM 280 CA THR A 18 -7.589 2.988 -9.816 1.00 72.45 C ATOM 281 C THR A 18 -8.401 2.381 -8.677 1.00 70.13 C ATOM 282 O THR A 18 -9.624 2.502 -8.642 1.00 43.25 O ATOM 283 CB THR A 18 -6.904 4.273 -9.314 1.00 73.30 C ATOM 284 OG1 THR A 18 -6.026 3.968 -8.224 1.00 32.51 O ATOM 285 CG2 THR A 18 -7.936 5.297 -8.870 1.00 71.22 C ATOM 0 H THR A 18 -9.424 3.336 -10.769 1.00 40.42 H new ATOM 0 HA THR A 18 -6.825 2.278 -10.133 1.00 72.45 H new ATOM 0 HB THR A 18 -6.326 4.695 -10.136 1.00 73.30 H new ATOM 0 HG1 THR A 18 -5.594 4.790 -7.912 1.00 32.51 H new ATOM 0 HG21 THR A 18 -7.429 6.196 -8.520 1.00 71.22 H new ATOM 0 HG22 THR A 18 -8.583 5.549 -9.710 1.00 71.22 H new ATOM 0 HG23 THR A 18 -8.537 4.881 -8.061 1.00 71.22 H new ATOM 293 N GLU A 19 -7.710 1.727 -7.748 1.00 13.01 N ATOM 294 CA GLU A 19 -8.370 1.101 -6.607 1.00 53.14 C ATOM 295 C GLU A 19 -8.468 2.073 -5.435 1.00 63.34 C ATOM 296 O GLU A 19 -7.685 3.015 -5.329 1.00 14.04 O ATOM 297 CB GLU A 19 -7.610 -0.157 -6.179 1.00 12.24 C ATOM 298 CG GLU A 19 -8.413 -1.070 -5.267 1.00 52.52 C ATOM 299 CD GLU A 19 -7.823 -2.464 -5.173 1.00 43.01 C ATOM 300 OE1 GLU A 19 -7.106 -2.739 -4.188 1.00 34.33 O ATOM 301 OE2 GLU A 19 -8.077 -3.279 -6.084 1.00 40.31 O1- ATOM 0 H GLU A 19 -6.696 1.617 -7.763 1.00 13.01 H new ATOM 0 HA GLU A 19 -9.379 0.822 -6.910 1.00 53.14 H new ATOM 0 HB2 GLU A 19 -7.315 -0.714 -7.068 1.00 12.24 H new ATOM 0 HB3 GLU A 19 -6.693 0.138 -5.669 1.00 12.24 H new ATOM 0 HG2 GLU A 19 -8.461 -0.631 -4.270 1.00 52.52 H new ATOM 0 HG3 GLU A 19 -9.437 -1.137 -5.635 1.00 52.52 H new ATOM 308 N ALA A 20 -9.437 1.835 -4.557 1.00 73.01 N ATOM 309 CA ALA A 20 -9.637 2.687 -3.391 1.00 24.33 C ATOM 310 C ALA A 20 -9.690 1.862 -2.111 1.00 50.12 C ATOM 311 O ALA A 20 -9.454 0.653 -2.128 1.00 0.24 O ATOM 312 CB ALA A 20 -10.912 3.504 -3.548 1.00 21.43 C ATOM 0 H ALA A 20 -10.096 1.060 -4.631 1.00 73.01 H new ATOM 0 HA ALA A 20 -8.788 3.367 -3.318 1.00 24.33 H new ATOM 0 HB1 ALA A 20 -11.050 4.136 -2.671 1.00 21.43 H new ATOM 0 HB2 ALA A 20 -10.836 4.130 -4.437 1.00 21.43 H new ATOM 0 HB3 ALA A 20 -11.764 2.832 -3.649 1.00 21.43 H new ATOM 318 N VAL A 21 -10.001 2.522 -0.999 1.00 62.00 N ATOM 319 CA VAL A 21 -10.085 1.848 0.291 1.00 60.23 C ATOM 320 C VAL A 21 -11.473 1.257 0.513 1.00 63.31 C ATOM 321 O VAL A 21 -11.618 0.206 1.138 1.00 62.31 O ATOM 322 CB VAL A 21 -9.759 2.811 1.449 1.00 33.45 C ATOM 323 CG1 VAL A 21 -8.337 3.335 1.323 1.00 12.12 C ATOM 324 CG2 VAL A 21 -10.757 3.958 1.485 1.00 32.32 C ATOM 0 H VAL A 21 -10.199 3.522 -0.966 1.00 62.00 H new ATOM 0 HA VAL A 21 -9.349 1.044 0.277 1.00 60.23 H new ATOM 0 HB VAL A 21 -9.837 2.262 2.388 1.00 33.45 H new ATOM 0 HG11 VAL A 21 -8.125 4.013 2.149 1.00 12.12 H new ATOM 0 HG12 VAL A 21 -7.638 2.499 1.351 1.00 12.12 H new ATOM 0 HG13 VAL A 21 -8.228 3.868 0.379 1.00 12.12 H new ATOM 0 HG21 VAL A 21 -10.512 4.628 2.309 1.00 32.32 H new ATOM 0 HG22 VAL A 21 -10.714 4.508 0.545 1.00 32.32 H new ATOM 0 HG23 VAL A 21 -11.762 3.561 1.627 1.00 32.32 H new ATOM 334 N ASP A 22 -12.490 1.936 -0.004 1.00 14.51 N ATOM 335 CA ASP A 22 -13.867 1.477 0.135 1.00 72.04 C ATOM 336 C ASP A 22 -14.707 1.904 -1.065 1.00 35.04 C ATOM 337 O ASP A 22 -14.310 2.782 -1.831 1.00 35.31 O ATOM 338 CB ASP A 22 -14.482 2.025 1.424 1.00 62.42 C ATOM 339 CG ASP A 22 -15.644 1.184 1.914 1.00 14.11 C ATOM 340 OD1 ASP A 22 -15.544 -0.059 1.852 1.00 44.22 O ATOM 341 OD2 ASP A 22 -16.653 1.769 2.359 1.00 52.14 O1- ATOM 0 H ASP A 22 -12.387 2.807 -0.524 1.00 14.51 H new ATOM 0 HA ASP A 22 -13.858 0.388 0.180 1.00 72.04 H new ATOM 0 HB2 ASP A 22 -13.716 2.068 2.199 1.00 62.42 H new ATOM 0 HB3 ASP A 22 -14.822 3.047 1.255 1.00 62.42 H new ATOM 346 N ALA A 23 -15.867 1.277 -1.222 1.00 2.12 N ATOM 347 CA ALA A 23 -16.763 1.593 -2.328 1.00 14.43 C ATOM 348 C ALA A 23 -17.248 3.036 -2.246 1.00 10.12 C ATOM 349 O ALA A 23 -17.060 3.818 -3.178 1.00 2.51 O ATOM 350 CB ALA A 23 -17.946 0.635 -2.339 1.00 21.14 C ATOM 0 H ALA A 23 -16.209 0.547 -0.597 1.00 2.12 H new ATOM 0 HA ALA A 23 -16.207 1.477 -3.259 1.00 14.43 H new ATOM 0 HB1 ALA A 23 -18.607 0.882 -3.170 1.00 21.14 H new ATOM 0 HB2 ALA A 23 -17.585 -0.387 -2.454 1.00 21.14 H new ATOM 0 HB3 ALA A 23 -18.494 0.723 -1.401 1.00 21.14 H new ATOM 356 N ALA A 24 -17.874 3.382 -1.126 1.00 41.32 N ATOM 357 CA ALA A 24 -18.386 4.731 -0.923 1.00 52.32 C ATOM 358 C ALA A 24 -17.260 5.758 -0.967 1.00 3.04 C ATOM 359 O ALA A 24 -17.478 6.921 -1.308 1.00 1.34 O ATOM 360 CB ALA A 24 -19.131 4.820 0.401 1.00 11.32 C ATOM 0 H ALA A 24 -18.039 2.746 -0.345 1.00 41.32 H new ATOM 0 HA ALA A 24 -19.079 4.955 -1.734 1.00 52.32 H new ATOM 0 HB1 ALA A 24 -19.508 5.833 0.539 1.00 11.32 H new ATOM 0 HB2 ALA A 24 -19.966 4.120 0.396 1.00 11.32 H new ATOM 0 HB3 ALA A 24 -18.453 4.571 1.217 1.00 11.32 H new ATOM 366 N THR A 25 -16.053 5.321 -0.621 1.00 70.42 N ATOM 367 CA THR A 25 -14.892 6.202 -0.619 1.00 34.03 C ATOM 368 C THR A 25 -14.370 6.426 -2.034 1.00 61.00 C ATOM 369 O THR A 25 -13.795 7.472 -2.335 1.00 73.14 O ATOM 370 CB THR A 25 -13.755 5.633 0.251 1.00 5.30 C ATOM 371 OG1 THR A 25 -14.234 5.378 1.576 1.00 15.25 O ATOM 372 CG2 THR A 25 -12.582 6.599 0.308 1.00 11.43 C ATOM 0 H THR A 25 -15.854 4.361 -0.338 1.00 70.42 H new ATOM 0 HA THR A 25 -15.219 7.154 -0.199 1.00 34.03 H new ATOM 0 HB THR A 25 -13.415 4.700 -0.198 1.00 5.30 H new ATOM 0 HG1 THR A 25 -13.506 5.015 2.123 1.00 15.25 H new ATOM 0 HG21 THR A 25 -11.792 6.176 0.928 1.00 11.43 H new ATOM 0 HG22 THR A 25 -12.201 6.769 -0.699 1.00 11.43 H new ATOM 0 HG23 THR A 25 -12.911 7.546 0.736 1.00 11.43 H new ATOM 380 N ALA A 26 -14.576 5.439 -2.899 1.00 54.42 N ATOM 381 CA ALA A 26 -14.128 5.530 -4.283 1.00 12.11 C ATOM 382 C ALA A 26 -15.136 6.289 -5.137 1.00 53.12 C ATOM 383 O ALA A 26 -14.769 6.940 -6.115 1.00 31.01 O ATOM 384 CB ALA A 26 -13.891 4.139 -4.853 1.00 51.23 C ATOM 0 H ALA A 26 -15.050 4.567 -2.666 1.00 54.42 H new ATOM 0 HA ALA A 26 -13.189 6.083 -4.300 1.00 12.11 H new ATOM 0 HB1 ALA A 26 -13.557 4.222 -5.887 1.00 51.23 H new ATOM 0 HB2 ALA A 26 -13.128 3.630 -4.265 1.00 51.23 H new ATOM 0 HB3 ALA A 26 -14.819 3.568 -4.816 1.00 51.23 H new ATOM 390 N GLU A 27 -16.409 6.202 -4.761 1.00 73.04 N ATOM 391 CA GLU A 27 -17.469 6.881 -5.496 1.00 71.40 C ATOM 392 C GLU A 27 -17.585 8.339 -5.061 1.00 11.11 C ATOM 393 O GLU A 27 -17.930 9.212 -5.858 1.00 0.04 O ATOM 394 CB GLU A 27 -18.806 6.166 -5.282 1.00 72.31 C ATOM 395 CG GLU A 27 -19.420 6.420 -3.915 1.00 42.04 C ATOM 396 CD GLU A 27 -20.597 5.508 -3.626 1.00 71.33 C ATOM 397 OE1 GLU A 27 -21.647 6.018 -3.182 1.00 10.02 O ATOM 398 OE2 GLU A 27 -20.468 4.285 -3.845 1.00 20.54 O1- ATOM 0 H GLU A 27 -16.730 5.669 -3.953 1.00 73.04 H new ATOM 0 HA GLU A 27 -17.216 6.855 -6.556 1.00 71.40 H new ATOM 0 HB2 GLU A 27 -19.508 6.488 -6.052 1.00 72.31 H new ATOM 0 HB3 GLU A 27 -18.660 5.094 -5.412 1.00 72.31 H new ATOM 0 HG2 GLU A 27 -18.659 6.280 -3.147 1.00 42.04 H new ATOM 0 HG3 GLU A 27 -19.746 7.458 -3.854 1.00 42.04 H new ATOM 405 N LYS A 28 -17.295 8.596 -3.790 1.00 10.01 N ATOM 406 CA LYS A 28 -17.365 9.947 -3.246 1.00 10.25 C ATOM 407 C LYS A 28 -16.217 10.804 -3.770 1.00 55.23 C ATOM 408 O LYS A 28 -16.336 12.026 -3.869 1.00 23.34 O ATOM 409 CB LYS A 28 -17.328 9.907 -1.716 1.00 24.34 C ATOM 410 CG LYS A 28 -15.956 9.584 -1.149 1.00 52.51 C ATOM 411 CD LYS A 28 -15.217 10.843 -0.727 1.00 61.24 C ATOM 412 CE LYS A 28 -14.315 10.585 0.469 1.00 2.13 C ATOM 413 NZ LYS A 28 -15.066 10.640 1.753 1.00 74.13 N1+ ATOM 0 H LYS A 28 -17.009 7.885 -3.117 1.00 10.01 H new ATOM 0 HA LYS A 28 -18.306 10.393 -3.569 1.00 10.25 H new ATOM 0 HB2 LYS A 28 -17.654 10.872 -1.328 1.00 24.34 H new ATOM 0 HB3 LYS A 28 -18.042 9.163 -1.363 1.00 24.34 H new ATOM 0 HG2 LYS A 28 -16.063 8.919 -0.292 1.00 52.51 H new ATOM 0 HG3 LYS A 28 -15.369 9.050 -1.896 1.00 52.51 H new ATOM 0 HD2 LYS A 28 -14.620 11.213 -1.561 1.00 61.24 H new ATOM 0 HD3 LYS A 28 -15.937 11.623 -0.480 1.00 61.24 H new ATOM 0 HE2 LYS A 28 -13.845 9.607 0.365 1.00 2.13 H new ATOM 0 HE3 LYS A 28 -13.514 11.324 0.485 1.00 2.13 H new ATOM 0 HZ1 LYS A 28 -14.415 10.459 2.544 1.00 74.13 H new ATOM 0 HZ2 LYS A 28 -15.494 11.581 1.865 1.00 74.13 H new ATOM 0 HZ3 LYS A 28 -15.815 9.918 1.748 1.00 74.13 H new ATOM 427 N VAL A 29 -15.106 10.156 -4.107 1.00 41.13 N ATOM 428 CA VAL A 29 -13.938 10.860 -4.623 1.00 14.40 C ATOM 429 C VAL A 29 -14.007 10.998 -6.140 1.00 73.51 C ATOM 430 O VAL A 29 -13.769 12.075 -6.687 1.00 24.14 O ATOM 431 CB VAL A 29 -12.633 10.135 -4.242 1.00 33.20 C ATOM 432 CG1 VAL A 29 -11.432 10.849 -4.842 1.00 72.20 C ATOM 433 CG2 VAL A 29 -12.504 10.032 -2.730 1.00 73.11 C ATOM 0 H VAL A 29 -14.990 9.145 -4.032 1.00 41.13 H new ATOM 0 HA VAL A 29 -13.939 11.852 -4.171 1.00 14.40 H new ATOM 0 HB VAL A 29 -12.665 9.125 -4.650 1.00 33.20 H new ATOM 0 HG11 VAL A 29 -10.519 10.323 -4.563 1.00 72.20 H new ATOM 0 HG12 VAL A 29 -11.524 10.865 -5.928 1.00 72.20 H new ATOM 0 HG13 VAL A 29 -11.391 11.871 -4.466 1.00 72.20 H new ATOM 0 HG21 VAL A 29 -11.577 9.517 -2.478 1.00 73.11 H new ATOM 0 HG22 VAL A 29 -12.493 11.032 -2.297 1.00 73.11 H new ATOM 0 HG23 VAL A 29 -13.350 9.473 -2.330 1.00 73.11 H new ATOM 443 N PHE A 30 -14.332 9.900 -6.814 1.00 31.13 N ATOM 444 CA PHE A 30 -14.431 9.898 -8.269 1.00 54.20 C ATOM 445 C PHE A 30 -15.490 10.888 -8.744 1.00 53.23 C ATOM 446 O PHE A 30 -15.458 11.351 -9.884 1.00 31.03 O ATOM 447 CB PHE A 30 -14.767 8.494 -8.776 1.00 40.11 C ATOM 448 CG PHE A 30 -13.558 7.630 -8.995 1.00 32.43 C ATOM 449 CD1 PHE A 30 -13.359 6.988 -10.207 1.00 21.02 C ATOM 450 CD2 PHE A 30 -12.619 7.461 -7.990 1.00 32.20 C ATOM 451 CE1 PHE A 30 -12.246 6.193 -10.412 1.00 24.24 C ATOM 452 CE2 PHE A 30 -11.505 6.668 -8.189 1.00 1.05 C ATOM 453 CZ PHE A 30 -11.320 6.032 -9.401 1.00 12.32 C ATOM 0 H PHE A 30 -14.531 9.000 -6.376 1.00 31.13 H new ATOM 0 HA PHE A 30 -13.466 10.203 -8.674 1.00 54.20 H new ATOM 0 HB2 PHE A 30 -15.427 8.006 -8.059 1.00 40.11 H new ATOM 0 HB3 PHE A 30 -15.319 8.577 -9.712 1.00 40.11 H new ATOM 0 HD1 PHE A 30 -14.081 7.110 -11.001 1.00 21.02 H new ATOM 0 HD2 PHE A 30 -12.760 7.955 -7.040 1.00 32.20 H new ATOM 0 HE1 PHE A 30 -12.102 5.699 -11.361 1.00 24.24 H new ATOM 0 HE2 PHE A 30 -10.780 6.546 -7.398 1.00 1.05 H new ATOM 0 HZ PHE A 30 -10.452 5.409 -9.558 1.00 12.32 H new ATOM 463 N LYS A 31 -16.429 11.210 -7.860 1.00 3.11 N ATOM 464 CA LYS A 31 -17.498 12.146 -8.186 1.00 43.23 C ATOM 465 C LYS A 31 -16.967 13.574 -8.266 1.00 44.53 C ATOM 466 O LYS A 31 -17.525 14.415 -8.969 1.00 34.13 O ATOM 467 CB LYS A 31 -18.612 12.065 -7.139 1.00 74.45 C ATOM 468 CG LYS A 31 -19.887 12.779 -7.551 1.00 54.22 C ATOM 469 CD LYS A 31 -20.853 12.912 -6.385 1.00 4.42 C ATOM 470 CE LYS A 31 -21.717 11.669 -6.233 1.00 24.34 C ATOM 471 NZ LYS A 31 -22.356 11.599 -4.890 1.00 73.33 N1+ ATOM 0 H LYS A 31 -16.471 10.836 -6.912 1.00 3.11 H new ATOM 0 HA LYS A 31 -17.901 11.871 -9.161 1.00 43.23 H new ATOM 0 HB2 LYS A 31 -18.839 11.017 -6.943 1.00 74.45 H new ATOM 0 HB3 LYS A 31 -18.252 12.493 -6.204 1.00 74.45 H new ATOM 0 HG2 LYS A 31 -19.643 13.769 -7.937 1.00 54.22 H new ATOM 0 HG3 LYS A 31 -20.367 12.230 -8.362 1.00 54.22 H new ATOM 0 HD2 LYS A 31 -20.294 13.082 -5.465 1.00 4.42 H new ATOM 0 HD3 LYS A 31 -21.490 13.783 -6.537 1.00 4.42 H new ATOM 0 HE2 LYS A 31 -22.489 11.667 -7.003 1.00 24.34 H new ATOM 0 HE3 LYS A 31 -21.106 10.780 -6.391 1.00 24.34 H new ATOM 0 HZ1 LYS A 31 -22.936 10.738 -4.826 1.00 73.33 H new ATOM 0 HZ2 LYS A 31 -21.620 11.576 -4.156 1.00 73.33 H new ATOM 0 HZ3 LYS A 31 -22.959 12.434 -4.749 1.00 73.33 H new ATOM 485 N GLN A 32 -15.882 13.838 -7.544 1.00 54.40 N ATOM 486 CA GLN A 32 -15.275 15.164 -7.536 1.00 54.13 C ATOM 487 C GLN A 32 -14.264 15.306 -8.668 1.00 51.02 C ATOM 488 O GLN A 32 -13.938 16.417 -9.086 1.00 60.30 O ATOM 489 CB GLN A 32 -14.594 15.428 -6.191 1.00 62.04 C ATOM 490 CG GLN A 32 -14.511 16.902 -5.831 1.00 65.45 C ATOM 491 CD GLN A 32 -15.780 17.417 -5.182 1.00 3.31 C ATOM 492 OE1 GLN A 32 -16.346 18.423 -5.610 1.00 21.30 O ATOM 493 NE2 GLN A 32 -16.236 16.728 -4.142 1.00 53.31 N ATOM 0 H GLN A 32 -15.406 13.152 -6.958 1.00 54.40 H new ATOM 0 HA GLN A 32 -16.066 15.899 -7.685 1.00 54.13 H new ATOM 0 HB2 GLN A 32 -15.139 14.901 -5.408 1.00 62.04 H new ATOM 0 HB3 GLN A 32 -13.587 15.011 -6.215 1.00 62.04 H new ATOM 0 HG2 GLN A 32 -13.671 17.060 -5.154 1.00 65.45 H new ATOM 0 HG3 GLN A 32 -14.307 17.481 -6.732 1.00 65.45 H new ATOM 0 HE21 GLN A 32 -15.736 15.900 -3.820 1.00 53.31 H new ATOM 0 HE22 GLN A 32 -17.087 17.027 -3.665 1.00 53.31 H new ATOM 502 N TYR A 33 -13.770 14.175 -9.159 1.00 2.51 N ATOM 503 CA TYR A 33 -12.793 14.175 -10.242 1.00 11.02 C ATOM 504 C TYR A 33 -13.276 15.025 -11.413 1.00 42.13 C ATOM 505 O TYR A 33 -12.621 15.990 -11.806 1.00 63.24 O ATOM 506 CB TYR A 33 -12.524 12.744 -10.713 1.00 15.35 C ATOM 507 CG TYR A 33 -11.373 12.076 -9.994 1.00 61.10 C ATOM 508 CD1 TYR A 33 -10.437 11.323 -10.692 1.00 41.15 C ATOM 509 CD2 TYR A 33 -11.222 12.198 -8.619 1.00 53.51 C ATOM 510 CE1 TYR A 33 -9.383 10.711 -10.041 1.00 23.03 C ATOM 511 CE2 TYR A 33 -10.172 11.590 -7.959 1.00 50.10 C ATOM 512 CZ TYR A 33 -9.255 10.848 -8.674 1.00 54.23 C ATOM 513 OH TYR A 33 -8.208 10.240 -8.021 1.00 42.34 O ATOM 0 H TYR A 33 -14.030 13.247 -8.825 1.00 2.51 H new ATOM 0 HA TYR A 33 -11.867 14.607 -9.862 1.00 11.02 H new ATOM 0 HB2 TYR A 33 -13.425 12.148 -10.570 1.00 15.35 H new ATOM 0 HB3 TYR A 33 -12.315 12.756 -11.783 1.00 15.35 H new ATOM 0 HD1 TYR A 33 -10.535 11.214 -11.762 1.00 41.15 H new ATOM 0 HD2 TYR A 33 -11.938 12.778 -8.056 1.00 53.51 H new ATOM 0 HE1 TYR A 33 -8.664 10.129 -10.599 1.00 23.03 H new ATOM 0 HE2 TYR A 33 -10.070 11.695 -6.889 1.00 50.10 H new ATOM 0 HH TYR A 33 -8.262 10.436 -7.062 1.00 42.34 H new ATOM 523 N PHE A 34 -14.428 14.660 -11.964 1.00 42.53 N ATOM 524 CA PHE A 34 -15.001 15.389 -13.090 1.00 12.11 C ATOM 525 C PHE A 34 -15.592 16.719 -12.633 1.00 72.21 C ATOM 526 O PHE A 34 -15.733 17.652 -13.423 1.00 45.01 O ATOM 527 CB PHE A 34 -16.081 14.546 -13.773 1.00 1.31 C ATOM 528 CG PHE A 34 -17.370 14.486 -13.006 1.00 2.03 C ATOM 529 CD1 PHE A 34 -17.600 13.473 -12.090 1.00 62.13 C ATOM 530 CD2 PHE A 34 -18.352 15.443 -13.201 1.00 32.51 C ATOM 531 CE1 PHE A 34 -18.786 13.416 -11.381 1.00 32.44 C ATOM 532 CE2 PHE A 34 -19.540 15.392 -12.495 1.00 32.40 C ATOM 533 CZ PHE A 34 -19.757 14.375 -11.585 1.00 11.44 C ATOM 0 H PHE A 34 -14.983 13.864 -11.650 1.00 42.53 H new ATOM 0 HA PHE A 34 -14.202 15.593 -13.803 1.00 12.11 H new ATOM 0 HB2 PHE A 34 -16.276 14.955 -14.764 1.00 1.31 H new ATOM 0 HB3 PHE A 34 -15.704 13.533 -13.914 1.00 1.31 H new ATOM 0 HD1 PHE A 34 -16.844 12.719 -11.927 1.00 62.13 H new ATOM 0 HD2 PHE A 34 -18.188 16.238 -13.913 1.00 32.51 H new ATOM 0 HE1 PHE A 34 -18.952 12.622 -10.668 1.00 32.44 H new ATOM 0 HE2 PHE A 34 -20.297 16.146 -12.655 1.00 32.40 H new ATOM 0 HZ PHE A 34 -20.685 14.331 -11.034 1.00 11.44 H new ATOM 543 N ASN A 35 -15.936 16.799 -11.352 1.00 73.45 N ATOM 544 CA ASN A 35 -16.513 18.014 -10.789 1.00 33.25 C ATOM 545 C ASN A 35 -15.646 19.227 -11.112 1.00 1.54 C ATOM 546 O ASN A 35 -16.157 20.301 -11.433 1.00 24.15 O ATOM 547 CB ASN A 35 -16.670 17.875 -9.273 1.00 33.43 C ATOM 548 CG ASN A 35 -17.489 18.999 -8.672 1.00 42.23 C ATOM 549 OD1 ASN A 35 -17.413 20.145 -9.117 1.00 2.52 O ATOM 550 ND2 ASN A 35 -18.279 18.677 -7.653 1.00 32.14 N ATOM 0 H ASN A 35 -15.825 16.036 -10.684 1.00 73.45 H new ATOM 0 HA ASN A 35 -17.496 18.161 -11.237 1.00 33.25 H new ATOM 0 HB2 ASN A 35 -17.145 16.921 -9.046 1.00 33.43 H new ATOM 0 HB3 ASN A 35 -15.684 17.859 -8.808 1.00 33.43 H new ATOM 0 HD21 ASN A 35 -18.854 19.392 -7.207 1.00 32.14 H new ATOM 0 HD22 ASN A 35 -18.311 17.715 -7.317 1.00 32.14 H new ATOM 557 N ASP A 36 -14.332 19.049 -11.025 1.00 44.34 N ATOM 558 CA ASP A 36 -13.394 20.128 -11.310 1.00 21.30 C ATOM 559 C ASP A 36 -13.321 20.403 -12.808 1.00 70.33 C ATOM 560 O ASP A 36 -13.015 21.518 -13.231 1.00 55.04 O ATOM 561 CB ASP A 36 -12.004 19.780 -10.774 1.00 43.24 C ATOM 562 CG ASP A 36 -11.020 20.922 -10.931 1.00 4.41 C ATOM 563 OD1 ASP A 36 -11.254 21.994 -10.334 1.00 2.20 O ATOM 564 OD2 ASP A 36 -10.014 20.743 -11.648 1.00 61.40 O1- ATOM 0 H ASP A 36 -13.893 18.168 -10.759 1.00 44.34 H new ATOM 0 HA ASP A 36 -13.752 21.028 -10.811 1.00 21.30 H new ATOM 0 HB2 ASP A 36 -12.081 19.513 -9.720 1.00 43.24 H new ATOM 0 HB3 ASP A 36 -11.625 18.903 -11.298 1.00 43.24 H new ATOM 569 N ASN A 37 -13.601 19.379 -13.607 1.00 62.30 N ATOM 570 CA ASN A 37 -13.565 19.510 -15.059 1.00 65.45 C ATOM 571 C ASN A 37 -14.744 20.338 -15.561 1.00 70.24 C ATOM 572 O ASN A 37 -14.728 20.845 -16.681 1.00 53.41 O ATOM 573 CB ASN A 37 -13.582 18.128 -15.718 1.00 52.22 C ATOM 574 CG ASN A 37 -12.355 17.308 -15.371 1.00 53.40 C ATOM 575 OD1 ASN A 37 -12.138 16.957 -14.212 1.00 51.53 O ATOM 576 ND2 ASN A 37 -11.546 16.999 -16.377 1.00 45.32 N ATOM 0 H ASN A 37 -13.855 18.449 -13.274 1.00 62.30 H new ATOM 0 HA ASN A 37 -12.642 20.023 -15.329 1.00 65.45 H new ATOM 0 HB2 ASN A 37 -14.476 17.590 -15.404 1.00 52.22 H new ATOM 0 HB3 ASN A 37 -13.644 18.245 -16.800 1.00 52.22 H new ATOM 0 HD21 ASN A 37 -10.705 16.449 -16.204 1.00 45.32 H new ATOM 0 HD22 ASN A 37 -11.766 17.312 -17.323 1.00 45.32 H new ATOM 583 N GLY A 38 -15.766 20.472 -14.721 1.00 54.05 N ATOM 584 CA GLY A 38 -16.939 21.241 -15.095 1.00 5.14 C ATOM 585 C GLY A 38 -17.627 20.685 -16.326 1.00 54.24 C ATOM 586 O GLY A 38 -18.278 21.422 -17.068 1.00 71.03 O ATOM 0 H GLY A 38 -15.803 20.062 -13.788 1.00 54.05 H new ATOM 0 HA2 GLY A 38 -17.643 21.252 -14.263 1.00 5.14 H new ATOM 0 HA3 GLY A 38 -16.648 22.275 -15.281 1.00 5.14 H new ATOM 590 N ILE A 39 -17.483 19.382 -16.544 1.00 60.34 N ATOM 591 CA ILE A 39 -18.096 18.729 -17.694 1.00 44.40 C ATOM 592 C ILE A 39 -19.618 18.770 -17.604 1.00 2.10 C ATOM 593 O ILE A 39 -20.202 18.351 -16.605 1.00 10.14 O ATOM 594 CB ILE A 39 -17.640 17.263 -17.818 1.00 24.24 C ATOM 595 CG1 ILE A 39 -16.117 17.189 -17.946 1.00 3.03 C ATOM 596 CG2 ILE A 39 -18.310 16.599 -19.011 1.00 53.24 C ATOM 597 CD1 ILE A 39 -15.551 15.821 -17.635 1.00 35.53 C ATOM 0 H ILE A 39 -16.948 18.758 -15.940 1.00 60.34 H new ATOM 0 HA ILE A 39 -17.772 19.278 -18.578 1.00 44.40 H new ATOM 0 HB ILE A 39 -17.936 16.728 -16.916 1.00 24.24 H new ATOM 0 HG12 ILE A 39 -15.831 17.470 -18.960 1.00 3.03 H new ATOM 0 HG13 ILE A 39 -15.668 17.921 -17.274 1.00 3.03 H new ATOM 0 HG21 ILE A 39 -17.978 15.564 -19.085 1.00 53.24 H new ATOM 0 HG22 ILE A 39 -19.392 16.624 -18.881 1.00 53.24 H new ATOM 0 HG23 ILE A 39 -18.041 17.133 -19.923 1.00 53.24 H new ATOM 0 HD11 ILE A 39 -14.467 15.842 -17.746 1.00 35.53 H new ATOM 0 HD12 ILE A 39 -15.806 15.546 -16.612 1.00 35.53 H new ATOM 0 HD13 ILE A 39 -15.972 15.088 -18.323 1.00 35.53 H new ATOM 609 N ASP A 40 -20.253 19.277 -18.655 1.00 20.35 N ATOM 610 CA ASP A 40 -21.708 19.371 -18.695 1.00 53.35 C ATOM 611 C ASP A 40 -22.304 18.229 -19.511 1.00 4.11 C ATOM 612 O ASP A 40 -21.939 18.024 -20.669 1.00 0.33 O ATOM 613 CB ASP A 40 -22.137 20.715 -19.287 1.00 31.23 C ATOM 614 CG ASP A 40 -23.638 20.920 -19.228 1.00 31.21 C ATOM 615 OD1 ASP A 40 -24.209 21.417 -20.222 1.00 21.22 O ATOM 616 OD2 ASP A 40 -24.243 20.583 -18.189 1.00 71.32 O1- ATOM 0 H ASP A 40 -19.784 19.629 -19.490 1.00 20.35 H new ATOM 0 HA ASP A 40 -22.081 19.297 -17.673 1.00 53.35 H new ATOM 0 HB2 ASP A 40 -21.641 21.522 -18.747 1.00 31.23 H new ATOM 0 HB3 ASP A 40 -21.805 20.775 -20.324 1.00 31.23 H new ATOM 621 N GLY A 41 -23.222 17.487 -18.899 1.00 55.40 N ATOM 622 CA GLY A 41 -23.852 16.373 -19.585 1.00 14.51 C ATOM 623 C GLY A 41 -24.556 15.429 -18.630 1.00 22.14 C ATOM 624 O GLY A 41 -24.841 15.790 -17.489 1.00 52.24 O ATOM 0 H GLY A 41 -23.541 17.637 -17.942 1.00 55.40 H new ATOM 0 HA2 GLY A 41 -24.571 16.756 -20.309 1.00 14.51 H new ATOM 0 HA3 GLY A 41 -23.097 15.822 -20.146 1.00 14.51 H new ATOM 628 N GLU A 42 -24.838 14.218 -19.099 1.00 22.23 N ATOM 629 CA GLU A 42 -25.517 13.221 -18.279 1.00 24.32 C ATOM 630 C GLU A 42 -24.509 12.391 -17.486 1.00 40.41 C ATOM 631 O GLU A 42 -24.024 11.365 -17.962 1.00 44.00 O ATOM 632 CB GLU A 42 -26.372 12.303 -19.155 1.00 74.13 C ATOM 633 CG GLU A 42 -27.460 11.570 -18.388 1.00 15.41 C ATOM 634 CD GLU A 42 -28.395 12.512 -17.657 1.00 64.42 C ATOM 635 OE1 GLU A 42 -29.286 13.092 -18.314 1.00 3.52 O ATOM 636 OE2 GLU A 42 -28.237 12.672 -16.428 1.00 15.41 O1- ATOM 0 H GLU A 42 -24.607 13.903 -20.041 1.00 22.23 H new ATOM 0 HA GLU A 42 -26.164 13.746 -17.576 1.00 24.32 H new ATOM 0 HB2 GLU A 42 -26.833 12.895 -19.946 1.00 74.13 H new ATOM 0 HB3 GLU A 42 -25.725 11.572 -19.640 1.00 74.13 H new ATOM 0 HG2 GLU A 42 -28.037 10.957 -19.080 1.00 15.41 H new ATOM 0 HG3 GLU A 42 -26.999 10.892 -17.670 1.00 15.41 H new ATOM 643 N TRP A 43 -24.201 12.845 -16.278 1.00 74.03 N ATOM 644 CA TRP A 43 -23.251 12.146 -15.418 1.00 72.23 C ATOM 645 C TRP A 43 -23.966 11.144 -14.519 1.00 53.32 C ATOM 646 O TRP A 43 -24.939 11.483 -13.845 1.00 73.03 O ATOM 647 CB TRP A 43 -22.470 13.148 -14.566 1.00 52.43 C ATOM 648 CG TRP A 43 -23.345 13.995 -13.692 1.00 72.22 C ATOM 649 CD1 TRP A 43 -23.884 15.210 -14.005 1.00 3.11 C ATOM 650 CD2 TRP A 43 -23.779 13.691 -12.363 1.00 61.32 C ATOM 651 NE1 TRP A 43 -24.629 15.679 -12.949 1.00 72.22 N ATOM 652 CE2 TRP A 43 -24.581 14.765 -11.930 1.00 75.21 C ATOM 653 CE3 TRP A 43 -23.571 12.614 -11.497 1.00 15.44 C ATOM 654 CZ2 TRP A 43 -25.171 14.792 -10.670 1.00 14.53 C ATOM 655 CZ3 TRP A 43 -24.158 12.643 -10.246 1.00 63.13 C ATOM 656 CH2 TRP A 43 -24.951 13.725 -9.842 1.00 31.13 C ATOM 0 H TRP A 43 -24.594 13.693 -15.870 1.00 74.03 H new ATOM 0 HA TRP A 43 -22.555 11.601 -16.055 1.00 72.23 H new ATOM 0 HB2 TRP A 43 -21.760 12.607 -13.941 1.00 52.43 H new ATOM 0 HB3 TRP A 43 -21.888 13.796 -15.222 1.00 52.43 H new ATOM 0 HD1 TRP A 43 -23.746 15.726 -14.943 1.00 3.11 H new ATOM 0 HE1 TRP A 43 -25.135 16.564 -12.928 1.00 72.22 H new ATOM 0 HE3 TRP A 43 -22.963 11.774 -11.800 1.00 15.44 H new ATOM 0 HZ2 TRP A 43 -25.781 15.626 -10.357 1.00 14.53 H new ATOM 0 HZ3 TRP A 43 -24.003 11.817 -9.568 1.00 63.13 H new ATOM 0 HH2 TRP A 43 -25.397 13.717 -8.858 1.00 31.13 H new ATOM 667 N THR A 44 -23.478 9.907 -14.513 1.00 63.42 N ATOM 668 CA THR A 44 -24.072 8.855 -13.697 1.00 74.13 C ATOM 669 C THR A 44 -23.091 7.708 -13.482 1.00 30.20 C ATOM 670 O THR A 44 -22.408 7.280 -14.412 1.00 74.04 O ATOM 671 CB THR A 44 -25.357 8.303 -14.340 1.00 73.40 C ATOM 672 OG1 THR A 44 -25.259 8.369 -15.767 1.00 32.24 O ATOM 673 CG2 THR A 44 -26.575 9.088 -13.874 1.00 35.45 C ATOM 0 H THR A 44 -22.673 9.609 -15.064 1.00 63.42 H new ATOM 0 HA THR A 44 -24.321 9.303 -12.735 1.00 74.13 H new ATOM 0 HB THR A 44 -25.473 7.264 -14.032 1.00 73.40 H new ATOM 0 HG1 THR A 44 -26.080 8.014 -16.168 1.00 32.24 H new ATOM 0 HG21 THR A 44 -27.471 8.680 -14.341 1.00 35.45 H new ATOM 0 HG22 THR A 44 -26.664 9.012 -12.790 1.00 35.45 H new ATOM 0 HG23 THR A 44 -26.463 10.135 -14.156 1.00 35.45 H new ATOM 681 N TYR A 45 -23.027 7.214 -12.250 1.00 54.15 N ATOM 682 CA TYR A 45 -22.128 6.117 -11.913 1.00 42.10 C ATOM 683 C TYR A 45 -22.908 4.826 -11.680 1.00 71.14 C ATOM 684 O TYR A 45 -23.793 4.769 -10.826 1.00 24.54 O ATOM 685 CB TYR A 45 -21.310 6.463 -10.668 1.00 34.31 C ATOM 686 CG TYR A 45 -22.141 7.020 -9.533 1.00 43.04 C ATOM 687 CD1 TYR A 45 -22.397 8.383 -9.438 1.00 14.35 C ATOM 688 CD2 TYR A 45 -22.669 6.184 -8.558 1.00 20.21 C ATOM 689 CE1 TYR A 45 -23.154 8.895 -8.402 1.00 10.11 C ATOM 690 CE2 TYR A 45 -23.428 6.687 -7.520 1.00 25.54 C ATOM 691 CZ TYR A 45 -23.668 8.044 -7.447 1.00 41.33 C ATOM 692 OH TYR A 45 -24.424 8.550 -6.413 1.00 2.25 O ATOM 0 H TYR A 45 -23.587 7.556 -11.469 1.00 54.15 H new ATOM 0 HA TYR A 45 -21.451 5.965 -12.753 1.00 42.10 H new ATOM 0 HB2 TYR A 45 -20.793 5.568 -10.323 1.00 34.31 H new ATOM 0 HB3 TYR A 45 -20.544 7.190 -10.937 1.00 34.31 H new ATOM 0 HD1 TYR A 45 -21.998 9.052 -10.186 1.00 14.35 H new ATOM 0 HD2 TYR A 45 -22.483 5.122 -8.613 1.00 20.21 H new ATOM 0 HE1 TYR A 45 -23.342 9.957 -8.341 1.00 10.11 H new ATOM 0 HE2 TYR A 45 -23.831 6.023 -6.770 1.00 25.54 H new ATOM 0 HH TYR A 45 -24.710 7.818 -5.828 1.00 2.25 H new ATOM 702 N ASP A 46 -22.573 3.793 -12.444 1.00 32.11 N ATOM 703 CA ASP A 46 -23.238 2.502 -12.321 1.00 22.14 C ATOM 704 C ASP A 46 -22.550 1.633 -11.272 1.00 62.51 C ATOM 705 O ASP A 46 -21.324 1.534 -11.242 1.00 34.35 O ATOM 706 CB ASP A 46 -23.252 1.780 -13.669 1.00 13.44 C ATOM 707 CG ASP A 46 -24.466 0.887 -13.835 1.00 75.02 C ATOM 708 OD1 ASP A 46 -25.033 0.460 -12.808 1.00 21.21 O ATOM 709 OD2 ASP A 46 -24.848 0.616 -14.992 1.00 71.21 O1- ATOM 0 H ASP A 46 -21.844 3.825 -13.156 1.00 32.11 H new ATOM 0 HA ASP A 46 -24.265 2.680 -12.002 1.00 22.14 H new ATOM 0 HB2 ASP A 46 -23.234 2.516 -14.472 1.00 13.44 H new ATOM 0 HB3 ASP A 46 -22.347 1.180 -13.766 1.00 13.44 H new ATOM 714 N ASP A 47 -23.348 1.008 -10.414 1.00 64.12 N ATOM 715 CA ASP A 47 -22.817 0.148 -9.363 1.00 34.13 C ATOM 716 C ASP A 47 -22.598 -1.270 -9.881 1.00 51.31 C ATOM 717 O ASP A 47 -21.755 -2.006 -9.368 1.00 32.42 O ATOM 718 CB ASP A 47 -23.765 0.126 -8.164 1.00 13.34 C ATOM 719 CG ASP A 47 -25.201 -0.147 -8.566 1.00 25.23 C ATOM 720 OD1 ASP A 47 -25.953 0.827 -8.778 1.00 22.50 O ATOM 721 OD2 ASP A 47 -25.572 -1.335 -8.669 1.00 33.41 O1- ATOM 0 H ASP A 47 -24.365 1.081 -10.425 1.00 64.12 H new ATOM 0 HA ASP A 47 -21.856 0.553 -9.047 1.00 34.13 H new ATOM 0 HB2 ASP A 47 -23.437 -0.638 -7.459 1.00 13.34 H new ATOM 0 HB3 ASP A 47 -23.712 1.083 -7.645 1.00 13.34 H new ATOM 726 N ALA A 48 -23.365 -1.648 -10.898 1.00 3.34 N ATOM 727 CA ALA A 48 -23.255 -2.977 -11.485 1.00 34.15 C ATOM 728 C ALA A 48 -21.836 -3.244 -11.979 1.00 2.20 C ATOM 729 O ALA A 48 -21.343 -4.370 -11.905 1.00 13.04 O ATOM 730 CB ALA A 48 -24.250 -3.135 -12.626 1.00 54.35 C ATOM 0 H ALA A 48 -24.070 -1.052 -11.333 1.00 3.34 H new ATOM 0 HA ALA A 48 -23.487 -3.708 -10.711 1.00 34.15 H new ATOM 0 HB1 ALA A 48 -24.156 -4.133 -13.055 1.00 54.35 H new ATOM 0 HB2 ALA A 48 -25.263 -2.996 -12.247 1.00 54.35 H new ATOM 0 HB3 ALA A 48 -24.044 -2.389 -13.394 1.00 54.35 H new ATOM 736 N THR A 49 -21.184 -2.201 -12.483 1.00 23.03 N ATOM 737 CA THR A 49 -19.823 -2.322 -12.990 1.00 44.42 C ATOM 738 C THR A 49 -18.890 -1.333 -12.303 1.00 24.42 C ATOM 739 O THR A 49 -17.684 -1.322 -12.554 1.00 72.25 O ATOM 740 CB THR A 49 -19.768 -2.091 -14.512 1.00 65.43 C ATOM 741 OG1 THR A 49 -18.406 -2.016 -14.947 1.00 3.21 O ATOM 742 CG2 THR A 49 -20.498 -0.812 -14.892 1.00 35.54 C ATOM 0 H THR A 49 -21.577 -1.262 -12.551 1.00 23.03 H new ATOM 0 HA THR A 49 -19.494 -3.338 -12.772 1.00 44.42 H new ATOM 0 HB THR A 49 -20.260 -2.931 -15.003 1.00 65.43 H new ATOM 0 HG1 THR A 49 -18.025 -1.153 -14.681 1.00 3.21 H new ATOM 0 HG21 THR A 49 -20.446 -0.670 -15.971 1.00 35.54 H new ATOM 0 HG22 THR A 49 -21.542 -0.884 -14.586 1.00 35.54 H new ATOM 0 HG23 THR A 49 -20.031 0.036 -14.392 1.00 35.54 H new ATOM 750 N LYS A 50 -19.453 -0.502 -11.433 1.00 22.21 N ATOM 751 CA LYS A 50 -18.671 0.492 -10.707 1.00 54.01 C ATOM 752 C LYS A 50 -17.945 1.424 -11.671 1.00 13.24 C ATOM 753 O LYS A 50 -16.871 1.941 -11.362 1.00 60.42 O ATOM 754 CB LYS A 50 -17.659 -0.197 -9.789 1.00 74.11 C ATOM 755 CG LYS A 50 -18.284 -0.806 -8.545 1.00 70.41 C ATOM 756 CD LYS A 50 -18.709 -2.246 -8.782 1.00 60.23 C ATOM 757 CE LYS A 50 -17.516 -3.190 -8.758 1.00 12.31 C ATOM 758 NZ LYS A 50 -17.743 -4.391 -9.607 1.00 22.44 N1+ ATOM 0 H LYS A 50 -20.449 -0.497 -11.213 1.00 22.21 H new ATOM 0 HA LYS A 50 -19.357 1.086 -10.102 1.00 54.01 H new ATOM 0 HB2 LYS A 50 -17.147 -0.980 -10.349 1.00 74.11 H new ATOM 0 HB3 LYS A 50 -16.902 0.527 -9.488 1.00 74.11 H new ATOM 0 HG2 LYS A 50 -17.570 -0.767 -7.722 1.00 70.41 H new ATOM 0 HG3 LYS A 50 -19.149 -0.215 -8.245 1.00 70.41 H new ATOM 0 HD2 LYS A 50 -19.427 -2.545 -8.018 1.00 60.23 H new ATOM 0 HD3 LYS A 50 -19.216 -2.323 -9.744 1.00 60.23 H new ATOM 0 HE2 LYS A 50 -16.628 -2.662 -9.106 1.00 12.31 H new ATOM 0 HE3 LYS A 50 -17.320 -3.502 -7.732 1.00 12.31 H new ATOM 0 HZ1 LYS A 50 -16.908 -5.009 -9.564 1.00 22.44 H new ATOM 0 HZ2 LYS A 50 -18.575 -4.909 -9.260 1.00 22.44 H new ATOM 0 HZ3 LYS A 50 -17.905 -4.095 -10.591 1.00 22.44 H new ATOM 772 N THR A 51 -18.539 1.638 -12.842 1.00 5.13 N ATOM 773 CA THR A 51 -17.950 2.509 -13.851 1.00 62.03 C ATOM 774 C THR A 51 -18.686 3.841 -13.925 1.00 61.41 C ATOM 775 O THR A 51 -19.897 3.907 -13.707 1.00 75.14 O ATOM 776 CB THR A 51 -17.967 1.847 -15.242 1.00 12.24 C ATOM 777 OG1 THR A 51 -17.596 0.468 -15.133 1.00 41.30 O ATOM 778 CG2 THR A 51 -17.015 2.559 -16.190 1.00 45.45 C ATOM 0 H THR A 51 -19.428 1.219 -13.114 1.00 5.13 H new ATOM 0 HA THR A 51 -16.916 2.685 -13.553 1.00 62.03 H new ATOM 0 HB THR A 51 -18.978 1.920 -15.643 1.00 12.24 H new ATOM 0 HG1 THR A 51 -17.518 0.079 -16.029 1.00 41.30 H new ATOM 0 HG21 THR A 51 -17.043 2.075 -17.166 1.00 45.45 H new ATOM 0 HG22 THR A 51 -17.316 3.601 -16.293 1.00 45.45 H new ATOM 0 HG23 THR A 51 -16.002 2.512 -15.791 1.00 45.45 H new ATOM 786 N PHE A 52 -17.949 4.903 -14.234 1.00 75.33 N ATOM 787 CA PHE A 52 -18.532 6.235 -14.338 1.00 62.31 C ATOM 788 C PHE A 52 -18.538 6.716 -15.786 1.00 33.05 C ATOM 789 O PHE A 52 -17.493 6.787 -16.433 1.00 14.21 O ATOM 790 CB PHE A 52 -17.758 7.224 -13.463 1.00 44.53 C ATOM 791 CG PHE A 52 -18.218 8.646 -13.614 1.00 0.11 C ATOM 792 CD1 PHE A 52 -19.553 8.977 -13.443 1.00 32.13 C ATOM 793 CD2 PHE A 52 -17.316 9.650 -13.926 1.00 52.53 C ATOM 794 CE1 PHE A 52 -19.979 10.285 -13.580 1.00 70.23 C ATOM 795 CE2 PHE A 52 -17.737 10.959 -14.064 1.00 42.45 C ATOM 796 CZ PHE A 52 -19.071 11.277 -13.892 1.00 22.23 C ATOM 0 H PHE A 52 -16.946 4.867 -14.417 1.00 75.33 H new ATOM 0 HA PHE A 52 -19.563 6.181 -13.988 1.00 62.31 H new ATOM 0 HB2 PHE A 52 -17.857 6.928 -12.419 1.00 44.53 H new ATOM 0 HB3 PHE A 52 -16.698 7.165 -13.712 1.00 44.53 H new ATOM 0 HD1 PHE A 52 -20.268 8.205 -13.200 1.00 32.13 H new ATOM 0 HD2 PHE A 52 -16.273 9.407 -14.063 1.00 52.53 H new ATOM 0 HE1 PHE A 52 -21.022 10.531 -13.443 1.00 70.23 H new ATOM 0 HE2 PHE A 52 -17.024 11.733 -14.306 1.00 42.45 H new ATOM 0 HZ PHE A 52 -19.402 12.299 -14.001 1.00 22.23 H new ATOM 806 N THR A 53 -19.723 7.046 -16.289 1.00 44.51 N ATOM 807 CA THR A 53 -19.866 7.518 -17.661 1.00 4.44 C ATOM 808 C THR A 53 -20.555 8.877 -17.705 1.00 31.34 C ATOM 809 O THR A 53 -21.389 9.189 -16.853 1.00 4.23 O ATOM 810 CB THR A 53 -20.669 6.520 -18.518 1.00 54.11 C ATOM 811 OG1 THR A 53 -20.306 5.178 -18.175 1.00 65.42 O ATOM 812 CG2 THR A 53 -20.418 6.757 -19.999 1.00 60.43 C ATOM 0 H THR A 53 -20.598 6.995 -15.767 1.00 44.51 H new ATOM 0 HA THR A 53 -18.860 7.610 -18.070 1.00 4.44 H new ATOM 0 HB THR A 53 -21.730 6.671 -18.317 1.00 54.11 H new ATOM 0 HG1 THR A 53 -20.822 4.550 -18.722 1.00 65.42 H new ATOM 0 HG21 THR A 53 -20.995 6.041 -20.585 1.00 60.43 H new ATOM 0 HG22 THR A 53 -20.722 7.770 -20.262 1.00 60.43 H new ATOM 0 HG23 THR A 53 -19.357 6.630 -20.213 1.00 60.43 H new ATOM 820 N ILE A 54 -20.203 9.682 -18.703 1.00 75.01 N ATOM 821 CA ILE A 54 -20.790 11.007 -18.858 1.00 65.32 C ATOM 822 C ILE A 54 -21.244 11.241 -20.295 1.00 75.20 C ATOM 823 O ILE A 54 -20.427 11.307 -21.214 1.00 23.01 O ATOM 824 CB ILE A 54 -19.796 12.113 -18.458 1.00 70.24 C ATOM 825 CG1 ILE A 54 -19.320 11.905 -17.020 1.00 13.34 C ATOM 826 CG2 ILE A 54 -20.436 13.484 -18.617 1.00 72.34 C ATOM 827 CD1 ILE A 54 -18.302 12.929 -16.565 1.00 12.11 C ATOM 0 H ILE A 54 -19.515 9.439 -19.416 1.00 75.01 H new ATOM 0 HA ILE A 54 -21.654 11.050 -18.195 1.00 65.32 H new ATOM 0 HB ILE A 54 -18.931 12.059 -19.119 1.00 70.24 H new ATOM 0 HG12 ILE A 54 -20.181 11.939 -16.352 1.00 13.34 H new ATOM 0 HG13 ILE A 54 -18.886 10.909 -16.930 1.00 13.34 H new ATOM 0 HG21 ILE A 54 -19.721 14.255 -18.330 1.00 72.34 H new ATOM 0 HG22 ILE A 54 -20.730 13.630 -19.656 1.00 72.34 H new ATOM 0 HG23 ILE A 54 -21.317 13.551 -17.978 1.00 72.34 H new ATOM 0 HD11 ILE A 54 -18.010 12.719 -15.536 1.00 12.11 H new ATOM 0 HD12 ILE A 54 -17.424 12.880 -17.209 1.00 12.11 H new ATOM 0 HD13 ILE A 54 -18.738 13.926 -16.622 1.00 12.11 H new ATOM 839 N THR A 55 -22.555 11.370 -20.482 1.00 63.33 N ATOM 840 CA THR A 55 -23.119 11.599 -21.806 1.00 22.45 C ATOM 841 C THR A 55 -23.109 13.082 -22.159 1.00 22.32 C ATOM 842 O THR A 55 -23.977 13.838 -21.724 1.00 1.22 O ATOM 843 CB THR A 55 -24.562 11.069 -21.901 1.00 44.25 C ATOM 844 OG1 THR A 55 -24.741 9.972 -21.000 1.00 21.34 O ATOM 845 CG2 THR A 55 -24.882 10.625 -23.320 1.00 31.54 C ATOM 0 H THR A 55 -23.245 11.320 -19.733 1.00 63.33 H new ATOM 0 HA THR A 55 -22.493 11.056 -22.515 1.00 22.45 H new ATOM 0 HB THR A 55 -25.242 11.876 -21.628 1.00 44.25 H new ATOM 0 HG1 THR A 55 -25.661 9.642 -21.065 1.00 21.34 H new ATOM 0 HG21 THR A 55 -25.906 10.254 -23.363 1.00 31.54 H new ATOM 0 HG22 THR A 55 -24.773 11.471 -23.999 1.00 31.54 H new ATOM 0 HG23 THR A 55 -24.196 9.831 -23.616 1.00 31.54 H new ATOM 853 N GLU A 56 -22.122 13.490 -22.950 1.00 43.31 N ATOM 854 CA GLU A 56 -22.000 14.885 -23.361 1.00 5.13 C ATOM 855 C GLU A 56 -22.598 15.097 -24.750 1.00 2.24 C ATOM 856 O GLU A 56 -22.406 14.280 -25.649 1.00 43.14 O ATOM 857 CB GLU A 56 -20.533 15.316 -23.354 1.00 72.24 C ATOM 858 CG GLU A 56 -20.341 16.823 -23.319 1.00 20.14 C ATOM 859 CD GLU A 56 -20.273 17.435 -24.703 1.00 52.32 C ATOM 860 OE1 GLU A 56 -21.278 18.038 -25.135 1.00 72.23 O ATOM 861 OE2 GLU A 56 -19.215 17.313 -25.357 1.00 35.02 O1- ATOM 0 H GLU A 56 -21.396 12.876 -23.319 1.00 43.31 H new ATOM 0 HA GLU A 56 -22.553 15.497 -22.648 1.00 5.13 H new ATOM 0 HB2 GLU A 56 -20.038 14.875 -22.489 1.00 72.24 H new ATOM 0 HB3 GLU A 56 -20.041 14.916 -24.241 1.00 72.24 H new ATOM 0 HG2 GLU A 56 -21.163 17.277 -22.765 1.00 20.14 H new ATOM 0 HG3 GLU A 56 -19.424 17.056 -22.777 1.00 20.14 H new