USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 64 ASN : amide:sc= 1.45 K(o=2.5,f=-2.4!) USER MOD Set 1.2: A 66 THR OG1 : rot 130:sc= 1.02 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.0936 K(o=-0.094,f=-0.75) USER MOD Set 2.2: A 51 ASN : amide:sc= 0 K(o=-0.094,f=-0.7) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -175:sc= -1.45! (180deg=-1.58!) USER MOD Set 3.2: A 43 THR OG1 : rot -92:sc= -0.529 USER MOD Set 4.1: A 6 TYR OH : rot -107:sc= 1.33 USER MOD Set 4.2: A 14 THR OG1 : rot -128:sc= 0.969 USER MOD Set 4.3: A 38 TYR OH : rot -91:sc= 1.85 USER MOD Single : A 1 MET CE :methyl -140:sc= -0.0162 (180deg=-0.186) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.783 (180deg=-3.49!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 7 TYR OH : rot 84:sc= 1.65 USER MOD Single : A 9 THR OG1 : rot 120:sc= 0.104 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc=-0.00536 (180deg=-0.189) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 147:sc= 1.04 USER MOD Single : A 22 ASN : amide:sc=-0.00855 X(o=-0.0085,f=-0.37) USER MOD Single : A 25 SER OG : rot -77:sc= 0.0265 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -2.93 F(o=-3.5,f=-2.9) USER MOD Single : A 46 MET CE :methyl -140:sc= -0.946 (180deg=-3.04!) USER MOD Single : A 47 TYR OH : rot -73:sc= 1.16 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.6) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.51 F(o=-1.3,f=-0.51) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 62:sc= 1.31 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.648 11.854 6.895 1.00 10.00 N ATOM 2 CA MET A 1 -1.679 10.812 7.214 1.00 43.23 C ATOM 3 C MET A 1 -2.218 9.434 6.840 1.00 34.53 C ATOM 4 O MET A 1 -3.414 9.169 6.969 1.00 52.03 O ATOM 5 CB MET A 1 -1.331 10.848 8.703 1.00 43.44 C ATOM 6 CG MET A 1 -0.483 9.671 9.158 1.00 21.14 C ATOM 7 SD MET A 1 0.632 10.099 10.509 1.00 3.33 S ATOM 8 CE MET A 1 -0.329 9.563 11.923 1.00 11.20 C ATOM 0 H1 MET A 1 -2.170 12.631 6.396 1.00 10.00 H new ATOM 0 H2 MET A 1 -3.394 11.460 6.288 1.00 10.00 H new ATOM 0 H3 MET A 1 -3.071 12.215 7.774 1.00 10.00 H new ATOM 0 HA MET A 1 -0.777 11.000 6.632 1.00 43.23 H new ATOM 0 HB2 MET A 1 -0.799 11.774 8.921 1.00 43.44 H new ATOM 0 HB3 MET A 1 -2.254 10.866 9.283 1.00 43.44 H new ATOM 0 HG2 MET A 1 -1.137 8.858 9.475 1.00 21.14 H new ATOM 0 HG3 MET A 1 0.100 9.301 8.315 1.00 21.14 H new ATOM 0 HE1 MET A 1 -0.224 10.288 12.730 1.00 11.20 H new ATOM 0 HE2 MET A 1 -1.379 9.484 11.640 1.00 11.20 H new ATOM 0 HE3 MET A 1 0.031 8.591 12.260 1.00 11.20 H new ATOM 16 N VAL A 2 -1.329 8.562 6.374 1.00 14.50 N ATOM 17 CA VAL A 2 -1.716 7.213 5.981 1.00 1.41 C ATOM 18 C VAL A 2 -0.933 6.167 6.767 1.00 24.44 C ATOM 19 O VAL A 2 0.268 6.315 6.994 1.00 43.50 O ATOM 20 CB VAL A 2 -1.494 6.981 4.475 1.00 41.14 C ATOM 21 CG1 VAL A 2 -2.348 7.936 3.656 1.00 71.42 C ATOM 22 CG2 VAL A 2 -0.021 7.135 4.125 1.00 24.01 C ATOM 0 H VAL A 2 -0.336 8.766 6.260 1.00 14.50 H new ATOM 0 HA VAL A 2 -2.778 7.111 6.203 1.00 1.41 H new ATOM 0 HB VAL A 2 -1.797 5.963 4.233 1.00 41.14 H new ATOM 0 HG11 VAL A 2 -2.178 7.757 2.594 1.00 71.42 H new ATOM 0 HG12 VAL A 2 -3.401 7.772 3.887 1.00 71.42 H new ATOM 0 HG13 VAL A 2 -2.079 8.964 3.898 1.00 71.42 H new ATOM 0 HG21 VAL A 2 0.119 6.968 3.057 1.00 24.01 H new ATOM 0 HG22 VAL A 2 0.311 8.141 4.381 1.00 24.01 H new ATOM 0 HG23 VAL A 2 0.564 6.406 4.686 1.00 24.01 H new ATOM 32 N THR A 3 -1.622 5.106 7.180 1.00 34.43 N ATOM 33 CA THR A 3 -0.992 4.035 7.940 1.00 42.23 C ATOM 34 C THR A 3 -1.167 2.690 7.244 1.00 4.33 C ATOM 35 O THR A 3 -2.261 2.353 6.788 1.00 72.44 O ATOM 36 CB THR A 3 -1.570 3.942 9.364 1.00 43.22 C ATOM 37 OG1 THR A 3 -1.767 5.255 9.900 1.00 74.34 O ATOM 38 CG2 THR A 3 -0.642 3.150 10.275 1.00 11.05 C ATOM 0 H THR A 3 -2.616 4.967 7.000 1.00 34.43 H new ATOM 0 HA THR A 3 0.070 4.274 8.001 1.00 42.23 H new ATOM 0 HB THR A 3 -2.528 3.425 9.310 1.00 43.22 H new ATOM 0 HG1 THR A 3 -2.136 5.187 10.805 1.00 74.34 H new ATOM 0 HG21 THR A 3 -1.072 3.098 11.275 1.00 11.05 H new ATOM 0 HG22 THR A 3 -0.518 2.142 9.880 1.00 11.05 H new ATOM 0 HG23 THR A 3 0.329 3.643 10.322 1.00 11.05 H new ATOM 46 N VAL A 4 -0.084 1.923 7.165 1.00 13.30 N ATOM 47 CA VAL A 4 -0.119 0.613 6.527 1.00 21.23 C ATOM 48 C VAL A 4 0.303 -0.483 7.497 1.00 64.13 C ATOM 49 O VAL A 4 1.068 -0.240 8.431 1.00 15.42 O ATOM 50 CB VAL A 4 0.796 0.568 5.288 1.00 53.02 C ATOM 51 CG1 VAL A 4 0.568 -0.713 4.501 1.00 13.43 C ATOM 52 CG2 VAL A 4 0.568 1.790 4.412 1.00 11.45 C ATOM 0 H VAL A 4 0.829 2.187 7.535 1.00 13.30 H new ATOM 0 HA VAL A 4 -1.149 0.440 6.216 1.00 21.23 H new ATOM 0 HB VAL A 4 1.833 0.579 5.624 1.00 53.02 H new ATOM 0 HG11 VAL A 4 1.223 -0.726 3.630 1.00 13.43 H new ATOM 0 HG12 VAL A 4 0.788 -1.573 5.134 1.00 13.43 H new ATOM 0 HG13 VAL A 4 -0.471 -0.759 4.174 1.00 13.43 H new ATOM 0 HG21 VAL A 4 1.223 1.741 3.542 1.00 11.45 H new ATOM 0 HG22 VAL A 4 -0.471 1.813 4.084 1.00 11.45 H new ATOM 0 HG23 VAL A 4 0.789 2.693 4.982 1.00 11.45 H new ATOM 62 N ARG A 5 -0.199 -1.693 7.270 1.00 74.12 N ATOM 63 CA ARG A 5 0.125 -2.828 8.126 1.00 43.01 C ATOM 64 C ARG A 5 0.786 -3.943 7.321 1.00 63.14 C ATOM 65 O ARG A 5 0.552 -4.079 6.120 1.00 51.24 O ATOM 66 CB ARG A 5 -1.137 -3.356 8.809 1.00 55.12 C ATOM 67 CG ARG A 5 -1.850 -2.317 9.658 1.00 21.20 C ATOM 68 CD ARG A 5 -2.678 -2.967 10.756 1.00 20.12 C ATOM 69 NE ARG A 5 -1.845 -3.681 11.720 1.00 11.25 N ATOM 70 CZ ARG A 5 -2.324 -4.551 12.602 1.00 73.50 C ATOM 71 NH1 ARG A 5 -3.622 -4.813 12.642 1.00 23.30 N ATOM 72 NH2 ARG A 5 -1.502 -5.161 13.446 1.00 13.30 N ATOM 0 H ARG A 5 -0.832 -1.912 6.500 1.00 74.12 H new ATOM 0 HA ARG A 5 0.826 -2.488 8.888 1.00 43.01 H new ATOM 0 HB2 ARG A 5 -1.825 -3.725 8.048 1.00 55.12 H new ATOM 0 HB3 ARG A 5 -0.871 -4.206 9.437 1.00 55.12 H new ATOM 0 HG2 ARG A 5 -1.117 -1.644 10.103 1.00 21.20 H new ATOM 0 HG3 ARG A 5 -2.496 -1.710 9.025 1.00 21.20 H new ATOM 0 HD2 ARG A 5 -3.257 -2.203 11.274 1.00 20.12 H new ATOM 0 HD3 ARG A 5 -3.391 -3.660 10.310 1.00 20.12 H new ATOM 0 HE ARG A 5 -0.841 -3.502 11.716 1.00 11.25 H new ATOM 0 HH11 ARG A 5 -4.257 -4.346 11.994 1.00 23.30 H new ATOM 0 HH12 ARG A 5 -3.987 -5.482 13.321 1.00 23.30 H new ATOM 0 HH21 ARG A 5 -0.502 -4.962 13.418 1.00 13.30 H new ATOM 0 HH22 ARG A 5 -1.870 -5.829 14.123 1.00 13.30 H new ATOM 83 N TYR A 6 1.612 -4.740 7.991 1.00 75.14 N ATOM 84 CA TYR A 6 2.309 -5.841 7.338 1.00 61.41 C ATOM 85 C TYR A 6 2.451 -7.031 8.281 1.00 40.51 C ATOM 86 O TYR A 6 3.067 -6.927 9.343 1.00 3.42 O ATOM 87 CB TYR A 6 3.689 -5.387 6.861 1.00 65.42 C ATOM 88 CG TYR A 6 3.695 -4.004 6.252 1.00 72.21 C ATOM 89 CD1 TYR A 6 3.225 -3.788 4.962 1.00 5.30 C ATOM 90 CD2 TYR A 6 4.170 -2.910 6.966 1.00 43.44 C ATOM 91 CE1 TYR A 6 3.230 -2.526 4.401 1.00 2.53 C ATOM 92 CE2 TYR A 6 4.176 -1.644 6.414 1.00 43.34 C ATOM 93 CZ TYR A 6 3.705 -1.457 5.132 1.00 40.03 C ATOM 94 OH TYR A 6 3.709 -0.198 4.577 1.00 74.04 O ATOM 0 H TYR A 6 1.815 -4.644 8.986 1.00 75.14 H new ATOM 0 HA TYR A 6 1.718 -6.152 6.476 1.00 61.41 H new ATOM 0 HB2 TYR A 6 4.380 -5.407 7.704 1.00 65.42 H new ATOM 0 HB3 TYR A 6 4.063 -6.100 6.126 1.00 65.42 H new ATOM 0 HD1 TYR A 6 2.849 -4.622 4.388 1.00 5.30 H new ATOM 0 HD2 TYR A 6 4.541 -3.053 7.970 1.00 43.44 H new ATOM 0 HE1 TYR A 6 2.864 -2.377 3.396 1.00 2.53 H new ATOM 0 HE2 TYR A 6 4.548 -0.805 6.984 1.00 43.34 H new ATOM 0 HH TYR A 6 4.628 0.058 4.354 1.00 74.04 H new ATOM 103 N TYR A 7 1.876 -8.162 7.887 1.00 70.32 N ATOM 104 CA TYR A 7 1.936 -9.374 8.697 1.00 73.34 C ATOM 105 C TYR A 7 3.329 -9.994 8.647 1.00 21.24 C ATOM 106 O TYR A 7 4.215 -9.504 7.948 1.00 34.30 O ATOM 107 CB TYR A 7 0.897 -10.387 8.214 1.00 13.45 C ATOM 108 CG TYR A 7 -0.466 -10.201 8.843 1.00 52.43 C ATOM 109 CD1 TYR A 7 -1.052 -8.944 8.923 1.00 70.34 C ATOM 110 CD2 TYR A 7 -1.168 -11.285 9.359 1.00 31.13 C ATOM 111 CE1 TYR A 7 -2.296 -8.771 9.497 1.00 34.11 C ATOM 112 CE2 TYR A 7 -2.413 -11.121 9.934 1.00 31.43 C ATOM 113 CZ TYR A 7 -2.973 -9.862 10.001 1.00 32.13 C ATOM 114 OH TYR A 7 -4.213 -9.693 10.572 1.00 52.31 O ATOM 0 H TYR A 7 1.363 -8.265 7.012 1.00 70.32 H new ATOM 0 HA TYR A 7 1.716 -9.102 9.729 1.00 73.34 H new ATOM 0 HB2 TYR A 7 0.802 -10.310 7.131 1.00 13.45 H new ATOM 0 HB3 TYR A 7 1.254 -11.394 8.431 1.00 13.45 H new ATOM 0 HD1 TYR A 7 -0.525 -8.087 8.529 1.00 70.34 H new ATOM 0 HD2 TYR A 7 -0.732 -12.272 9.309 1.00 31.13 H new ATOM 0 HE1 TYR A 7 -2.737 -7.786 9.551 1.00 34.11 H new ATOM 0 HE2 TYR A 7 -2.945 -11.974 10.329 1.00 31.43 H new ATOM 0 HH TYR A 7 -4.899 -9.698 9.872 1.00 52.31 H new ATOM 123 N ALA A 8 3.513 -11.078 9.393 1.00 62.22 N ATOM 124 CA ALA A 8 4.796 -11.769 9.432 1.00 61.03 C ATOM 125 C ALA A 8 5.243 -12.177 8.032 1.00 52.14 C ATOM 126 O ALA A 8 6.437 -12.183 7.727 1.00 14.25 O ATOM 127 CB ALA A 8 4.711 -12.990 10.337 1.00 75.31 C ATOM 0 H ALA A 8 2.790 -11.497 9.978 1.00 62.22 H new ATOM 0 HA ALA A 8 5.539 -11.081 9.836 1.00 61.03 H new ATOM 0 HB1 ALA A 8 5.676 -13.496 10.357 1.00 75.31 H new ATOM 0 HB2 ALA A 8 4.445 -12.677 11.347 1.00 75.31 H new ATOM 0 HB3 ALA A 8 3.951 -13.673 9.957 1.00 75.31 H new ATOM 133 N THR A 9 4.279 -12.517 7.184 1.00 22.20 N ATOM 134 CA THR A 9 4.574 -12.928 5.816 1.00 54.45 C ATOM 135 C THR A 9 5.347 -11.846 5.072 1.00 41.25 C ATOM 136 O THR A 9 6.183 -12.142 4.217 1.00 45.33 O ATOM 137 CB THR A 9 3.285 -13.250 5.037 1.00 64.01 C ATOM 138 OG1 THR A 9 2.147 -12.739 5.737 1.00 15.54 O ATOM 139 CG2 THR A 9 3.133 -14.752 4.840 1.00 34.15 C ATOM 0 H THR A 9 3.287 -12.516 7.419 1.00 22.20 H new ATOM 0 HA THR A 9 5.186 -13.828 5.881 1.00 54.45 H new ATOM 0 HB THR A 9 3.351 -12.775 4.058 1.00 64.01 H new ATOM 0 HG1 THR A 9 1.677 -12.092 5.170 1.00 15.54 H new ATOM 0 HG21 THR A 9 2.216 -14.956 4.288 1.00 34.15 H new ATOM 0 HG22 THR A 9 3.986 -15.134 4.280 1.00 34.15 H new ATOM 0 HG23 THR A 9 3.088 -15.244 5.812 1.00 34.15 H new ATOM 147 N LEU A 10 5.065 -10.591 5.402 1.00 72.11 N ATOM 148 CA LEU A 10 5.736 -9.463 4.764 1.00 40.44 C ATOM 149 C LEU A 10 6.934 -9.004 5.591 1.00 21.40 C ATOM 150 O LEU A 10 7.136 -7.808 5.798 1.00 34.52 O ATOM 151 CB LEU A 10 4.758 -8.302 4.576 1.00 4.12 C ATOM 152 CG LEU A 10 3.439 -8.642 3.882 1.00 2.30 C ATOM 153 CD1 LEU A 10 3.671 -9.628 2.747 1.00 55.13 C ATOM 154 CD2 LEU A 10 2.438 -9.203 4.882 1.00 44.35 C ATOM 0 H LEU A 10 4.377 -10.328 6.107 1.00 72.11 H new ATOM 0 HA LEU A 10 6.094 -9.790 3.788 1.00 40.44 H new ATOM 0 HB2 LEU A 10 4.532 -7.881 5.556 1.00 4.12 H new ATOM 0 HB3 LEU A 10 5.257 -7.522 4.001 1.00 4.12 H new ATOM 0 HG LEU A 10 3.026 -7.725 3.461 1.00 2.30 H new ATOM 0 HD11 LEU A 10 2.721 -9.858 2.265 1.00 55.13 H new ATOM 0 HD12 LEU A 10 4.351 -9.189 2.017 1.00 55.13 H new ATOM 0 HD13 LEU A 10 4.107 -10.544 3.145 1.00 55.13 H new ATOM 0 HD21 LEU A 10 1.505 -9.439 4.370 1.00 44.35 H new ATOM 0 HD22 LEU A 10 2.843 -10.109 5.334 1.00 44.35 H new ATOM 0 HD23 LEU A 10 2.248 -8.464 5.660 1.00 44.35 H new ATOM 165 N ARG A 11 7.726 -9.964 6.057 1.00 72.20 N ATOM 166 CA ARG A 11 8.905 -9.658 6.860 1.00 24.04 C ATOM 167 C ARG A 11 9.971 -8.965 6.016 1.00 53.40 C ATOM 168 O ARG A 11 10.405 -7.852 6.314 1.00 73.45 O ATOM 169 CB ARG A 11 9.476 -10.937 7.473 1.00 45.10 C ATOM 170 CG ARG A 11 10.986 -10.909 7.644 1.00 2.02 C ATOM 171 CD ARG A 11 11.457 -11.983 8.613 1.00 24.11 C ATOM 172 NE ARG A 11 12.914 -12.031 8.711 1.00 5.13 N ATOM 173 CZ ARG A 11 13.571 -12.900 9.470 1.00 12.33 C ATOM 174 NH1 ARG A 11 12.904 -13.789 10.195 1.00 61.14 N ATOM 175 NH2 ARG A 11 14.897 -12.881 9.507 1.00 63.14 N ATOM 0 H ARG A 11 7.573 -10.959 5.893 1.00 72.20 H new ATOM 0 HA ARG A 11 8.604 -8.983 7.661 1.00 24.04 H new ATOM 0 HB2 ARG A 11 9.012 -11.103 8.445 1.00 45.10 H new ATOM 0 HB3 ARG A 11 9.206 -11.784 6.842 1.00 45.10 H new ATOM 0 HG2 ARG A 11 11.466 -11.055 6.676 1.00 2.02 H new ATOM 0 HG3 ARG A 11 11.294 -9.929 8.008 1.00 2.02 H new ATOM 0 HD2 ARG A 11 11.033 -11.793 9.599 1.00 24.11 H new ATOM 0 HD3 ARG A 11 11.083 -12.954 8.288 1.00 24.11 H new ATOM 0 HE ARG A 11 13.456 -11.360 8.167 1.00 5.13 H new ATOM 0 HH11 ARG A 11 11.884 -13.806 10.170 1.00 61.14 H new ATOM 0 HH12 ARG A 11 13.411 -14.456 10.777 1.00 61.14 H new ATOM 0 HH21 ARG A 11 15.413 -12.198 8.952 1.00 63.14 H new ATOM 0 HH22 ARG A 11 15.401 -13.549 10.091 1.00 63.14 H new ATOM 186 N PRO A 12 10.404 -9.637 4.939 1.00 10.40 N ATOM 187 CA PRO A 12 11.424 -9.105 4.032 1.00 71.15 C ATOM 188 C PRO A 12 10.913 -7.926 3.212 1.00 0.12 C ATOM 189 O PRO A 12 11.669 -7.303 2.465 1.00 1.02 O ATOM 190 CB PRO A 12 11.743 -10.293 3.120 1.00 10.53 C ATOM 191 CG PRO A 12 10.512 -11.131 3.147 1.00 10.44 C ATOM 192 CD PRO A 12 9.930 -10.968 4.524 1.00 14.30 C ATOM 0 HA PRO A 12 12.289 -8.721 4.573 1.00 71.15 H new ATOM 0 HB2 PRO A 12 11.976 -9.964 2.107 1.00 10.53 H new ATOM 0 HB3 PRO A 12 12.608 -10.849 3.481 1.00 10.53 H new ATOM 0 HG2 PRO A 12 9.804 -10.809 2.383 1.00 10.44 H new ATOM 0 HG3 PRO A 12 10.747 -12.176 2.944 1.00 10.44 H new ATOM 0 HD2 PRO A 12 8.841 -11.020 4.509 1.00 14.30 H new ATOM 0 HD3 PRO A 12 10.277 -11.748 5.202 1.00 14.30 H new ATOM 197 N ILE A 13 9.627 -7.625 3.356 1.00 71.21 N ATOM 198 CA ILE A 13 9.016 -6.519 2.629 1.00 20.42 C ATOM 199 C ILE A 13 9.184 -5.205 3.385 1.00 34.24 C ATOM 200 O ILE A 13 9.782 -4.255 2.877 1.00 25.31 O ATOM 201 CB ILE A 13 7.516 -6.768 2.382 1.00 15.21 C ATOM 202 CG1 ILE A 13 7.260 -8.253 2.119 1.00 52.02 C ATOM 203 CG2 ILE A 13 7.024 -5.924 1.214 1.00 43.33 C ATOM 204 CD1 ILE A 13 8.026 -8.797 0.933 1.00 41.00 C ATOM 0 H ILE A 13 8.988 -8.131 3.969 1.00 71.21 H new ATOM 0 HA ILE A 13 9.528 -6.451 1.669 1.00 20.42 H new ATOM 0 HB ILE A 13 6.962 -6.476 3.274 1.00 15.21 H new ATOM 0 HG12 ILE A 13 7.530 -8.823 3.008 1.00 52.02 H new ATOM 0 HG13 ILE A 13 6.194 -8.406 1.954 1.00 52.02 H new ATOM 0 HG21 ILE A 13 5.962 -6.111 1.052 1.00 43.33 H new ATOM 0 HG22 ILE A 13 7.176 -4.868 1.438 1.00 43.33 H new ATOM 0 HG23 ILE A 13 7.580 -6.188 0.315 1.00 43.33 H new ATOM 0 HD11 ILE A 13 7.796 -9.855 0.806 1.00 41.00 H new ATOM 0 HD12 ILE A 13 7.739 -8.252 0.034 1.00 41.00 H new ATOM 0 HD13 ILE A 13 9.096 -8.676 1.104 1.00 41.00 H new ATOM 215 N THR A 14 8.653 -5.157 4.602 1.00 11.51 N ATOM 216 CA THR A 14 8.745 -3.960 5.429 1.00 23.14 C ATOM 217 C THR A 14 9.802 -4.121 6.514 1.00 51.52 C ATOM 218 O THR A 14 9.823 -3.373 7.492 1.00 73.25 O ATOM 219 CB THR A 14 7.393 -3.629 6.090 1.00 4.11 C ATOM 220 OG1 THR A 14 7.504 -2.423 6.854 1.00 0.34 O ATOM 221 CG2 THR A 14 6.938 -4.767 6.991 1.00 42.10 C ATOM 0 H THR A 14 8.155 -5.933 5.037 1.00 11.51 H new ATOM 0 HA THR A 14 9.029 -3.141 4.769 1.00 23.14 H new ATOM 0 HB THR A 14 6.652 -3.493 5.302 1.00 4.11 H new ATOM 0 HG1 THR A 14 7.179 -2.582 7.765 1.00 0.34 H new ATOM 0 HG21 THR A 14 5.982 -4.510 7.446 1.00 42.10 H new ATOM 0 HG22 THR A 14 6.826 -5.676 6.400 1.00 42.10 H new ATOM 0 HG23 THR A 14 7.680 -4.931 7.773 1.00 42.10 H new ATOM 229 N LYS A 15 10.680 -5.103 6.338 1.00 2.23 N ATOM 230 CA LYS A 15 11.743 -5.362 7.302 1.00 14.02 C ATOM 231 C LYS A 15 11.177 -5.511 8.710 1.00 11.14 C ATOM 232 O LYS A 15 11.818 -5.138 9.692 1.00 54.20 O ATOM 233 CB LYS A 15 12.773 -4.231 7.272 1.00 40.52 C ATOM 234 CG LYS A 15 13.228 -3.859 5.872 1.00 74.12 C ATOM 235 CD LYS A 15 14.191 -2.684 5.892 1.00 61.54 C ATOM 236 CE LYS A 15 15.516 -3.060 6.538 1.00 41.32 C ATOM 237 NZ LYS A 15 16.270 -4.051 5.722 1.00 13.14 N ATOM 0 H LYS A 15 10.676 -5.733 5.536 1.00 2.23 H new ATOM 0 HA LYS A 15 12.230 -6.297 7.025 1.00 14.02 H new ATOM 0 HB2 LYS A 15 12.347 -3.350 7.752 1.00 40.52 H new ATOM 0 HB3 LYS A 15 13.642 -4.526 7.861 1.00 40.52 H new ATOM 0 HG2 LYS A 15 13.710 -4.718 5.405 1.00 74.12 H new ATOM 0 HG3 LYS A 15 12.361 -3.609 5.261 1.00 74.12 H new ATOM 0 HD2 LYS A 15 14.367 -2.339 4.873 1.00 61.54 H new ATOM 0 HD3 LYS A 15 13.742 -1.854 6.437 1.00 61.54 H new ATOM 0 HE2 LYS A 15 16.122 -2.164 6.672 1.00 41.32 H new ATOM 0 HE3 LYS A 15 15.332 -3.472 7.530 1.00 41.32 H new ATOM 0 HZ1 LYS A 15 17.247 -4.116 6.071 1.00 13.14 H new ATOM 0 HZ2 LYS A 15 15.813 -4.982 5.797 1.00 13.14 H new ATOM 0 HZ3 LYS A 15 16.277 -3.748 4.727 1.00 13.14 H new ATOM 247 N LYS A 16 9.970 -6.060 8.803 1.00 65.41 N ATOM 248 CA LYS A 16 9.317 -6.262 10.091 1.00 21.15 C ATOM 249 C LYS A 16 9.161 -4.940 10.835 1.00 35.32 C ATOM 250 O LYS A 16 9.655 -4.781 11.951 1.00 60.01 O ATOM 251 CB LYS A 16 10.118 -7.247 10.944 1.00 65.31 C ATOM 252 CG LYS A 16 9.920 -8.699 10.543 1.00 0.12 C ATOM 253 CD LYS A 16 10.183 -9.640 11.707 1.00 74.12 C ATOM 254 CE LYS A 16 11.669 -9.744 12.016 1.00 34.53 C ATOM 255 NZ LYS A 16 12.013 -11.044 12.654 1.00 24.32 N ATOM 0 H LYS A 16 9.424 -6.373 8.000 1.00 65.41 H new ATOM 0 HA LYS A 16 8.325 -6.674 9.906 1.00 21.15 H new ATOM 0 HB2 LYS A 16 11.177 -7.000 10.872 1.00 65.31 H new ATOM 0 HB3 LYS A 16 9.833 -7.125 11.989 1.00 65.31 H new ATOM 0 HG2 LYS A 16 8.902 -8.842 10.181 1.00 0.12 H new ATOM 0 HG3 LYS A 16 10.589 -8.944 9.718 1.00 0.12 H new ATOM 0 HD2 LYS A 16 9.651 -9.286 12.590 1.00 74.12 H new ATOM 0 HD3 LYS A 16 9.789 -10.629 11.473 1.00 74.12 H new ATOM 0 HE2 LYS A 16 12.240 -9.629 11.095 1.00 34.53 H new ATOM 0 HE3 LYS A 16 11.961 -8.927 12.676 1.00 34.53 H new ATOM 0 HZ1 LYS A 16 13.034 -11.076 12.849 1.00 24.32 H new ATOM 0 HZ2 LYS A 16 11.487 -11.143 13.546 1.00 24.32 H new ATOM 0 HZ3 LYS A 16 11.758 -11.823 12.014 1.00 24.32 H new ATOM 265 N LYS A 17 8.471 -3.992 10.209 1.00 13.40 N ATOM 266 CA LYS A 17 8.247 -2.683 10.813 1.00 72.05 C ATOM 267 C LYS A 17 7.022 -2.007 10.208 1.00 24.04 C ATOM 268 O LYS A 17 6.426 -2.518 9.259 1.00 14.04 O ATOM 269 CB LYS A 17 9.478 -1.794 10.623 1.00 44.24 C ATOM 270 CG LYS A 17 10.564 -2.029 11.659 1.00 20.22 C ATOM 271 CD LYS A 17 11.613 -0.930 11.627 1.00 71.41 C ATOM 272 CE LYS A 17 12.486 -1.029 10.385 1.00 62.33 C ATOM 273 NZ LYS A 17 13.371 0.159 10.233 1.00 5.54 N ATOM 0 H LYS A 17 8.057 -4.106 9.284 1.00 13.40 H new ATOM 0 HA LYS A 17 8.071 -2.828 11.879 1.00 72.05 H new ATOM 0 HB2 LYS A 17 9.892 -1.968 9.630 1.00 44.24 H new ATOM 0 HB3 LYS A 17 9.171 -0.749 10.662 1.00 44.24 H new ATOM 0 HG2 LYS A 17 10.117 -2.077 12.652 1.00 20.22 H new ATOM 0 HG3 LYS A 17 11.040 -2.993 11.477 1.00 20.22 H new ATOM 0 HD2 LYS A 17 11.123 0.043 11.652 1.00 71.41 H new ATOM 0 HD3 LYS A 17 12.237 -0.995 12.518 1.00 71.41 H new ATOM 0 HE2 LYS A 17 13.095 -1.931 10.440 1.00 62.33 H new ATOM 0 HE3 LYS A 17 11.853 -1.126 9.503 1.00 62.33 H new ATOM 0 HZ1 LYS A 17 13.950 0.053 9.375 1.00 5.54 H new ATOM 0 HZ2 LYS A 17 12.789 1.018 10.155 1.00 5.54 H new ATOM 0 HZ3 LYS A 17 13.993 0.237 11.063 1.00 5.54 H new ATOM 283 N GLU A 18 6.651 -0.857 10.762 1.00 61.32 N ATOM 284 CA GLU A 18 5.495 -0.112 10.275 1.00 70.53 C ATOM 285 C GLU A 18 5.656 1.381 10.549 1.00 45.33 C ATOM 286 O GLU A 18 6.196 1.777 11.581 1.00 14.35 O ATOM 287 CB GLU A 18 4.214 -0.629 10.933 1.00 33.43 C ATOM 288 CG GLU A 18 3.000 0.248 10.671 1.00 55.25 C ATOM 289 CD GLU A 18 1.710 -0.385 11.152 1.00 12.41 C ATOM 290 OE1 GLU A 18 1.567 -1.618 11.014 1.00 74.41 O ATOM 291 OE2 GLU A 18 0.842 0.352 11.665 1.00 42.12 O ATOM 0 H GLU A 18 7.134 -0.421 11.548 1.00 61.32 H new ATOM 0 HA GLU A 18 5.426 -0.260 9.197 1.00 70.53 H new ATOM 0 HB2 GLU A 18 4.010 -1.636 10.570 1.00 33.43 H new ATOM 0 HB3 GLU A 18 4.373 -0.704 12.009 1.00 33.43 H new ATOM 0 HG2 GLU A 18 3.136 1.209 11.168 1.00 55.25 H new ATOM 0 HG3 GLU A 18 2.925 0.449 9.602 1.00 55.25 H new ATOM 296 N GLU A 19 5.183 2.202 9.617 1.00 64.31 N ATOM 297 CA GLU A 19 5.275 3.650 9.758 1.00 25.21 C ATOM 298 C GLU A 19 4.202 4.346 8.926 1.00 15.14 C ATOM 299 O GLU A 19 3.612 3.748 8.026 1.00 32.04 O ATOM 300 CB GLU A 19 6.661 4.139 9.334 1.00 71.41 C ATOM 301 CG GLU A 19 7.683 4.123 10.459 1.00 1.23 C ATOM 302 CD GLU A 19 8.849 5.058 10.203 1.00 31.02 C ATOM 303 OE1 GLU A 19 8.606 6.261 9.975 1.00 22.12 O ATOM 304 OE2 GLU A 19 10.004 4.585 10.231 1.00 23.54 O ATOM 0 H GLU A 19 4.733 1.889 8.757 1.00 64.31 H new ATOM 0 HA GLU A 19 5.116 3.898 10.807 1.00 25.21 H new ATOM 0 HB2 GLU A 19 7.023 3.515 8.517 1.00 71.41 H new ATOM 0 HB3 GLU A 19 6.576 5.154 8.946 1.00 71.41 H new ATOM 0 HG2 GLU A 19 7.195 4.405 11.392 1.00 1.23 H new ATOM 0 HG3 GLU A 19 8.058 3.108 10.589 1.00 1.23 H new ATOM 309 N THR A 20 3.953 5.616 9.234 1.00 61.52 N ATOM 310 CA THR A 20 2.952 6.394 8.517 1.00 54.32 C ATOM 311 C THR A 20 3.605 7.386 7.562 1.00 73.14 C ATOM 312 O THR A 20 4.789 7.700 7.690 1.00 44.22 O ATOM 313 CB THR A 20 2.037 7.163 9.489 1.00 1.21 C ATOM 314 OG1 THR A 20 2.825 7.830 10.481 1.00 74.13 O ATOM 315 CG2 THR A 20 1.053 6.220 10.166 1.00 42.34 C ATOM 0 H THR A 20 4.432 6.127 9.976 1.00 61.52 H new ATOM 0 HA THR A 20 2.352 5.686 7.946 1.00 54.32 H new ATOM 0 HB THR A 20 1.475 7.901 8.916 1.00 1.21 H new ATOM 0 HG1 THR A 20 2.384 8.666 10.741 1.00 74.13 H new ATOM 0 HG21 THR A 20 0.417 6.785 10.848 1.00 42.34 H new ATOM 0 HG22 THR A 20 0.434 5.736 9.410 1.00 42.34 H new ATOM 0 HG23 THR A 20 1.601 5.462 10.726 1.00 42.34 H new ATOM 323 N PHE A 21 2.827 7.879 6.604 1.00 74.44 N ATOM 324 CA PHE A 21 3.332 8.836 5.626 1.00 32.14 C ATOM 325 C PHE A 21 2.384 10.024 5.489 1.00 1.41 C ATOM 326 O PHE A 21 1.203 9.931 5.821 1.00 22.25 O ATOM 327 CB PHE A 21 3.519 8.159 4.267 1.00 23.24 C ATOM 328 CG PHE A 21 4.709 7.245 4.211 1.00 61.24 C ATOM 329 CD1 PHE A 21 4.656 5.981 4.779 1.00 34.55 C ATOM 330 CD2 PHE A 21 5.881 7.648 3.593 1.00 32.51 C ATOM 331 CE1 PHE A 21 5.750 5.139 4.729 1.00 61.32 C ATOM 332 CE2 PHE A 21 6.978 6.810 3.540 1.00 42.02 C ATOM 333 CZ PHE A 21 6.913 5.553 4.108 1.00 21.12 C ATOM 0 H PHE A 21 1.845 7.632 6.484 1.00 74.44 H new ATOM 0 HA PHE A 21 4.297 9.202 5.977 1.00 32.14 H new ATOM 0 HB2 PHE A 21 2.621 7.589 4.028 1.00 23.24 H new ATOM 0 HB3 PHE A 21 3.624 8.926 3.499 1.00 23.24 H new ATOM 0 HD1 PHE A 21 3.750 5.651 5.266 1.00 34.55 H new ATOM 0 HD2 PHE A 21 5.938 8.630 3.147 1.00 32.51 H new ATOM 0 HE1 PHE A 21 5.696 4.157 5.175 1.00 61.32 H new ATOM 0 HE2 PHE A 21 7.886 7.138 3.055 1.00 42.02 H new ATOM 0 HZ PHE A 21 7.769 4.895 4.067 1.00 21.12 H new ATOM 342 N ASN A 22 2.911 11.141 4.997 1.00 65.15 N ATOM 343 CA ASN A 22 2.114 12.348 4.817 1.00 0.41 C ATOM 344 C ASN A 22 2.186 12.837 3.374 1.00 5.11 C ATOM 345 O ASN A 22 3.077 12.450 2.620 1.00 63.41 O ATOM 346 CB ASN A 22 2.594 13.449 5.764 1.00 2.50 C ATOM 347 CG ASN A 22 3.839 14.148 5.255 1.00 32.54 C ATOM 348 OD1 ASN A 22 3.754 15.112 4.492 1.00 61.32 O ATOM 349 ND2 ASN A 22 5.003 13.665 5.672 1.00 42.24 N ATOM 0 H ASN A 22 3.887 11.235 4.716 1.00 65.15 H new ATOM 0 HA ASN A 22 1.077 12.105 5.049 1.00 0.41 H new ATOM 0 HB2 ASN A 22 1.798 14.182 5.897 1.00 2.50 H new ATOM 0 HB3 ASN A 22 2.798 13.018 6.744 1.00 2.50 H new ATOM 0 HD21 ASN A 22 5.874 14.094 5.360 1.00 42.24 H new ATOM 0 HD22 ASN A 22 5.026 12.865 6.304 1.00 42.24 H new ATOM 355 N GLY A 23 1.240 13.692 2.996 1.00 13.34 N ATOM 356 CA GLY A 23 1.215 14.221 1.645 1.00 2.43 C ATOM 357 C GLY A 23 -0.196 14.456 1.141 1.00 32.40 C ATOM 358 O GLY A 23 -0.953 15.227 1.732 1.00 74.43 O ATOM 0 H GLY A 23 0.491 14.027 3.601 1.00 13.34 H new ATOM 0 HA2 GLY A 23 1.769 15.159 1.615 1.00 2.43 H new ATOM 0 HA3 GLY A 23 1.726 13.527 0.977 1.00 2.43 H new ATOM 362 N ILE A 24 -0.550 13.793 0.046 1.00 20.41 N ATOM 363 CA ILE A 24 -1.878 13.935 -0.537 1.00 1.25 C ATOM 364 C ILE A 24 -2.828 12.866 -0.008 1.00 64.11 C ATOM 365 O ILE A 24 -2.414 11.744 0.287 1.00 12.43 O ATOM 366 CB ILE A 24 -1.830 13.848 -2.075 1.00 14.54 C ATOM 367 CG1 ILE A 24 -3.179 14.258 -2.671 1.00 74.42 C ATOM 368 CG2 ILE A 24 -1.457 12.440 -2.514 1.00 74.10 C ATOM 369 CD1 ILE A 24 -3.058 15.235 -3.821 1.00 65.50 C ATOM 0 H ILE A 24 0.065 13.152 -0.456 1.00 20.41 H new ATOM 0 HA ILE A 24 -2.246 14.920 -0.248 1.00 1.25 H new ATOM 0 HB ILE A 24 -1.067 14.535 -2.441 1.00 14.54 H new ATOM 0 HG12 ILE A 24 -3.701 13.366 -3.016 1.00 74.42 H new ATOM 0 HG13 ILE A 24 -3.793 14.704 -1.888 1.00 74.42 H new ATOM 0 HG21 ILE A 24 -1.427 12.394 -3.603 1.00 74.10 H new ATOM 0 HG22 ILE A 24 -0.477 12.181 -2.113 1.00 74.10 H new ATOM 0 HG23 ILE A 24 -2.199 11.734 -2.141 1.00 74.10 H new ATOM 0 HD11 ILE A 24 -4.052 15.482 -4.195 1.00 65.50 H new ATOM 0 HD12 ILE A 24 -2.564 16.143 -3.476 1.00 65.50 H new ATOM 0 HD13 ILE A 24 -2.471 14.784 -4.621 1.00 65.50 H new ATOM 380 N SER A 25 -4.104 13.220 0.108 1.00 42.45 N ATOM 381 CA SER A 25 -5.113 12.292 0.603 1.00 1.40 C ATOM 382 C SER A 25 -5.574 11.349 -0.504 1.00 11.15 C ATOM 383 O SER A 25 -6.761 11.283 -0.825 1.00 2.44 O ATOM 384 CB SER A 25 -6.311 13.059 1.167 1.00 54.12 C ATOM 385 OG SER A 25 -6.007 13.621 2.432 1.00 43.15 O ATOM 0 H SER A 25 -4.463 14.143 -0.134 1.00 42.45 H new ATOM 0 HA SER A 25 -4.664 11.698 1.399 1.00 1.40 H new ATOM 0 HB2 SER A 25 -6.600 13.850 0.474 1.00 54.12 H new ATOM 0 HB3 SER A 25 -7.165 12.388 1.259 1.00 54.12 H new ATOM 0 HG SER A 25 -6.035 12.920 3.116 1.00 43.15 H new ATOM 390 N LYS A 26 -4.628 10.620 -1.086 1.00 55.21 N ATOM 391 CA LYS A 26 -4.934 9.680 -2.156 1.00 74.00 C ATOM 392 C LYS A 26 -3.995 8.479 -2.111 1.00 13.34 C ATOM 393 O LYS A 26 -2.867 8.581 -1.629 1.00 64.04 O ATOM 394 CB LYS A 26 -4.829 10.373 -3.517 1.00 75.05 C ATOM 395 CG LYS A 26 -6.059 11.184 -3.884 1.00 2.31 C ATOM 396 CD LYS A 26 -6.074 11.537 -5.361 1.00 20.34 C ATOM 397 CE LYS A 26 -5.103 12.665 -5.675 1.00 42.12 C ATOM 398 NZ LYS A 26 -5.536 13.457 -6.859 1.00 23.13 N ATOM 0 H LYS A 26 -3.641 10.663 -0.833 1.00 55.21 H new ATOM 0 HA LYS A 26 -5.955 9.326 -2.013 1.00 74.00 H new ATOM 0 HB2 LYS A 26 -3.959 11.030 -3.515 1.00 75.05 H new ATOM 0 HB3 LYS A 26 -4.658 9.620 -4.286 1.00 75.05 H new ATOM 0 HG2 LYS A 26 -6.957 10.618 -3.635 1.00 2.31 H new ATOM 0 HG3 LYS A 26 -6.084 12.098 -3.290 1.00 2.31 H new ATOM 0 HD2 LYS A 26 -5.813 10.657 -5.949 1.00 20.34 H new ATOM 0 HD3 LYS A 26 -7.082 11.830 -5.656 1.00 20.34 H new ATOM 0 HE2 LYS A 26 -5.018 13.322 -4.810 1.00 42.12 H new ATOM 0 HE3 LYS A 26 -4.112 12.250 -5.858 1.00 42.12 H new ATOM 0 HZ1 LYS A 26 -4.848 14.216 -7.040 1.00 23.13 H new ATOM 0 HZ2 LYS A 26 -5.592 12.835 -7.691 1.00 23.13 H new ATOM 0 HZ3 LYS A 26 -6.471 13.874 -6.675 1.00 23.13 H new ATOM 408 N ILE A 27 -4.468 7.345 -2.616 1.00 71.55 N ATOM 409 CA ILE A 27 -3.668 6.127 -2.636 1.00 3.30 C ATOM 410 C ILE A 27 -2.614 6.178 -3.737 1.00 5.22 C ATOM 411 O ILE A 27 -1.605 5.476 -3.676 1.00 40.15 O ATOM 412 CB ILE A 27 -4.549 4.879 -2.841 1.00 63.01 C ATOM 413 CG1 ILE A 27 -5.559 4.747 -1.699 1.00 72.32 C ATOM 414 CG2 ILE A 27 -3.684 3.631 -2.938 1.00 65.31 C ATOM 415 CD1 ILE A 27 -4.921 4.448 -0.360 1.00 22.32 C ATOM 0 H ILE A 27 -5.401 7.244 -3.017 1.00 71.55 H new ATOM 0 HA ILE A 27 -3.173 6.058 -1.667 1.00 3.30 H new ATOM 0 HB ILE A 27 -5.099 4.990 -3.775 1.00 63.01 H new ATOM 0 HG12 ILE A 27 -6.131 5.672 -1.622 1.00 72.32 H new ATOM 0 HG13 ILE A 27 -6.267 3.954 -1.940 1.00 72.32 H new ATOM 0 HG21 ILE A 27 -4.320 2.758 -3.083 1.00 65.31 H new ATOM 0 HG22 ILE A 27 -3.001 3.726 -3.782 1.00 65.31 H new ATOM 0 HG23 ILE A 27 -3.110 3.514 -2.019 1.00 65.31 H new ATOM 0 HD11 ILE A 27 -5.696 4.368 0.402 1.00 22.32 H new ATOM 0 HD12 ILE A 27 -4.372 3.508 -0.420 1.00 22.32 H new ATOM 0 HD13 ILE A 27 -4.234 5.252 -0.096 1.00 22.32 H new ATOM 426 N SER A 28 -2.856 7.014 -4.741 1.00 63.11 N ATOM 427 CA SER A 28 -1.928 7.155 -5.857 1.00 34.35 C ATOM 428 C SER A 28 -0.512 7.423 -5.356 1.00 34.24 C ATOM 429 O SER A 28 0.430 6.722 -5.723 1.00 10.34 O ATOM 430 CB SER A 28 -2.378 8.289 -6.781 1.00 72.43 C ATOM 431 OG SER A 28 -1.964 8.053 -8.116 1.00 10.55 O ATOM 0 H SER A 28 -3.686 7.604 -4.805 1.00 63.11 H new ATOM 0 HA SER A 28 -1.925 6.219 -6.416 1.00 34.35 H new ATOM 0 HB2 SER A 28 -3.463 8.383 -6.745 1.00 72.43 H new ATOM 0 HB3 SER A 28 -1.964 9.234 -6.430 1.00 72.43 H new ATOM 0 HG SER A 28 -2.265 8.790 -8.687 1.00 10.55 H new ATOM 436 N GLU A 29 -0.372 8.444 -4.516 1.00 30.34 N ATOM 437 CA GLU A 29 0.929 8.806 -3.965 1.00 25.22 C ATOM 438 C GLU A 29 1.361 7.811 -2.892 1.00 63.33 C ATOM 439 O GLU A 29 2.545 7.498 -2.760 1.00 23.01 O ATOM 440 CB GLU A 29 0.884 10.218 -3.379 1.00 51.31 C ATOM 441 CG GLU A 29 0.847 11.314 -4.430 1.00 61.42 C ATOM 442 CD GLU A 29 2.013 11.231 -5.399 1.00 13.44 C ATOM 443 OE1 GLU A 29 3.171 11.280 -4.937 1.00 54.52 O ATOM 444 OE2 GLU A 29 1.764 11.119 -6.618 1.00 51.54 O ATOM 0 H GLU A 29 -1.142 9.034 -4.203 1.00 30.34 H new ATOM 0 HA GLU A 29 1.658 8.780 -4.775 1.00 25.22 H new ATOM 0 HB2 GLU A 29 0.005 10.309 -2.741 1.00 51.31 H new ATOM 0 HB3 GLU A 29 1.757 10.366 -2.743 1.00 51.31 H new ATOM 0 HG2 GLU A 29 -0.088 11.248 -4.986 1.00 61.42 H new ATOM 0 HG3 GLU A 29 0.857 12.286 -3.937 1.00 61.42 H new ATOM 449 N LEU A 30 0.393 7.317 -2.127 1.00 32.32 N ATOM 450 CA LEU A 30 0.672 6.358 -1.065 1.00 51.44 C ATOM 451 C LEU A 30 1.366 5.117 -1.619 1.00 30.35 C ATOM 452 O LEU A 30 2.403 4.693 -1.110 1.00 1.02 O ATOM 453 CB LEU A 30 -0.624 5.959 -0.358 1.00 63.13 C ATOM 454 CG LEU A 30 -0.480 4.973 0.803 1.00 25.23 C ATOM 455 CD1 LEU A 30 -0.416 3.545 0.284 1.00 44.21 C ATOM 456 CD2 LEU A 30 0.756 5.299 1.628 1.00 44.00 C ATOM 0 H LEU A 30 -0.592 7.565 -2.223 1.00 32.32 H new ATOM 0 HA LEU A 30 1.339 6.834 -0.346 1.00 51.44 H new ATOM 0 HB2 LEU A 30 -1.103 6.863 0.017 1.00 63.13 H new ATOM 0 HB3 LEU A 30 -1.298 5.524 -1.096 1.00 63.13 H new ATOM 0 HG LEU A 30 -1.356 5.065 1.445 1.00 25.23 H new ATOM 0 HD11 LEU A 30 -0.314 2.857 1.123 1.00 44.21 H new ATOM 0 HD12 LEU A 30 -1.330 3.316 -0.264 1.00 44.21 H new ATOM 0 HD13 LEU A 30 0.442 3.437 -0.380 1.00 44.21 H new ATOM 0 HD21 LEU A 30 0.843 4.588 2.450 1.00 44.00 H new ATOM 0 HD22 LEU A 30 1.642 5.234 0.997 1.00 44.00 H new ATOM 0 HD23 LEU A 30 0.669 6.309 2.030 1.00 44.00 H new ATOM 467 N LEU A 31 0.787 4.541 -2.668 1.00 42.30 N ATOM 468 CA LEU A 31 1.349 3.350 -3.294 1.00 21.11 C ATOM 469 C LEU A 31 2.624 3.689 -4.061 1.00 5.11 C ATOM 470 O LEU A 31 3.633 2.995 -3.943 1.00 42.41 O ATOM 471 CB LEU A 31 0.327 2.714 -4.236 1.00 25.52 C ATOM 472 CG LEU A 31 -0.748 1.849 -3.577 1.00 34.24 C ATOM 473 CD1 LEU A 31 -1.717 1.313 -4.620 1.00 55.30 C ATOM 474 CD2 LEU A 31 -0.110 0.706 -2.801 1.00 63.32 C ATOM 0 H LEU A 31 -0.071 4.880 -3.102 1.00 42.30 H new ATOM 0 HA LEU A 31 1.599 2.639 -2.507 1.00 21.11 H new ATOM 0 HB2 LEU A 31 -0.167 3.510 -4.794 1.00 25.52 H new ATOM 0 HB3 LEU A 31 0.863 2.102 -4.961 1.00 25.52 H new ATOM 0 HG LEU A 31 -1.308 2.469 -2.877 1.00 34.24 H new ATOM 0 HD11 LEU A 31 -2.475 0.700 -4.132 1.00 55.30 H new ATOM 0 HD12 LEU A 31 -2.199 2.146 -5.131 1.00 55.30 H new ATOM 0 HD13 LEU A 31 -1.173 0.708 -5.345 1.00 55.30 H new ATOM 0 HD21 LEU A 31 -0.889 0.101 -2.338 1.00 63.32 H new ATOM 0 HD22 LEU A 31 0.475 0.087 -3.481 1.00 63.32 H new ATOM 0 HD23 LEU A 31 0.542 1.111 -2.027 1.00 63.32 H new ATOM 485 N GLU A 32 2.569 4.761 -4.845 1.00 11.11 N ATOM 486 CA GLU A 32 3.720 5.192 -5.629 1.00 73.52 C ATOM 487 C GLU A 32 4.933 5.425 -4.733 1.00 61.11 C ATOM 488 O GLU A 32 6.062 5.096 -5.101 1.00 11.41 O ATOM 489 CB GLU A 32 3.389 6.471 -6.400 1.00 73.51 C ATOM 490 CG GLU A 32 4.490 6.911 -7.352 1.00 63.32 C ATOM 491 CD GLU A 32 4.755 5.894 -8.446 1.00 53.23 C ATOM 492 OE1 GLU A 32 3.847 5.656 -9.268 1.00 60.11 O ATOM 493 OE2 GLU A 32 5.873 5.336 -8.478 1.00 15.15 O ATOM 0 H GLU A 32 1.741 5.346 -4.954 1.00 11.11 H new ATOM 0 HA GLU A 32 3.961 4.400 -6.338 1.00 73.52 H new ATOM 0 HB2 GLU A 32 2.471 6.316 -6.967 1.00 73.51 H new ATOM 0 HB3 GLU A 32 3.193 7.273 -5.689 1.00 73.51 H new ATOM 0 HG2 GLU A 32 4.215 7.863 -7.805 1.00 63.32 H new ATOM 0 HG3 GLU A 32 5.407 7.080 -6.788 1.00 63.32 H new ATOM 498 N ARG A 33 4.692 5.993 -3.557 1.00 14.41 N ATOM 499 CA ARG A 33 5.764 6.271 -2.609 1.00 15.22 C ATOM 500 C ARG A 33 6.200 4.997 -1.891 1.00 33.32 C ATOM 501 O ARG A 33 7.390 4.680 -1.834 1.00 14.15 O ATOM 502 CB ARG A 33 5.312 7.315 -1.586 1.00 22.25 C ATOM 503 CG ARG A 33 6.444 7.861 -0.730 1.00 1.13 C ATOM 504 CD ARG A 33 5.942 8.903 0.257 1.00 53.10 C ATOM 505 NE ARG A 33 7.012 9.789 0.707 1.00 71.45 N ATOM 506 CZ ARG A 33 7.478 10.804 -0.012 1.00 73.53 C ATOM 507 NH1 ARG A 33 6.969 11.061 -1.210 1.00 54.45 N ATOM 508 NH2 ARG A 33 8.454 11.565 0.466 1.00 35.00 N ATOM 0 H ARG A 33 3.764 6.270 -3.237 1.00 14.41 H new ATOM 0 HA ARG A 33 6.614 6.663 -3.167 1.00 15.22 H new ATOM 0 HB2 ARG A 33 4.834 8.142 -2.111 1.00 22.25 H new ATOM 0 HB3 ARG A 33 4.558 6.871 -0.936 1.00 22.25 H new ATOM 0 HG2 ARG A 33 6.919 7.043 -0.188 1.00 1.13 H new ATOM 0 HG3 ARG A 33 7.206 8.303 -1.371 1.00 1.13 H new ATOM 0 HD2 ARG A 33 5.154 9.494 -0.209 1.00 53.10 H new ATOM 0 HD3 ARG A 33 5.499 8.403 1.118 1.00 53.10 H new ATOM 0 HE ARG A 33 7.424 9.619 1.624 1.00 71.45 H new ATOM 0 HH11 ARG A 33 6.218 10.479 -1.581 1.00 54.45 H new ATOM 0 HH12 ARG A 33 7.329 11.841 -1.760 1.00 54.45 H new ATOM 0 HH21 ARG A 33 8.848 11.371 1.387 1.00 35.00 H new ATOM 0 HH22 ARG A 33 8.811 12.344 -0.087 1.00 35.00 H new ATOM 519 N LEU A 34 5.231 4.271 -1.345 1.00 62.23 N ATOM 520 CA LEU A 34 5.515 3.030 -0.631 1.00 34.13 C ATOM 521 C LEU A 34 6.249 2.040 -1.529 1.00 70.32 C ATOM 522 O LEU A 34 7.059 1.241 -1.059 1.00 14.12 O ATOM 523 CB LEU A 34 4.216 2.406 -0.119 1.00 21.55 C ATOM 524 CG LEU A 34 3.698 2.936 1.218 1.00 2.22 C ATOM 525 CD1 LEU A 34 2.382 2.266 1.584 1.00 13.34 C ATOM 526 CD2 LEU A 34 4.731 2.719 2.314 1.00 34.03 C ATOM 0 H LEU A 34 4.242 4.519 -1.383 1.00 62.23 H new ATOM 0 HA LEU A 34 6.157 3.266 0.217 1.00 34.13 H new ATOM 0 HB2 LEU A 34 3.442 2.558 -0.872 1.00 21.55 H new ATOM 0 HB3 LEU A 34 4.365 1.330 -0.027 1.00 21.55 H new ATOM 0 HG LEU A 34 3.522 4.007 1.119 1.00 2.22 H new ATOM 0 HD11 LEU A 34 2.028 2.656 2.539 1.00 13.34 H new ATOM 0 HD12 LEU A 34 1.641 2.472 0.811 1.00 13.34 H new ATOM 0 HD13 LEU A 34 2.532 1.189 1.665 1.00 13.34 H new ATOM 0 HD21 LEU A 34 4.345 3.102 3.259 1.00 34.03 H new ATOM 0 HD22 LEU A 34 4.939 1.654 2.412 1.00 34.03 H new ATOM 0 HD23 LEU A 34 5.650 3.246 2.057 1.00 34.03 H new ATOM 537 N LYS A 35 5.962 2.099 -2.825 1.00 11.34 N ATOM 538 CA LYS A 35 6.597 1.210 -3.792 1.00 15.42 C ATOM 539 C LYS A 35 8.116 1.271 -3.669 1.00 30.14 C ATOM 540 O LYS A 35 8.782 0.241 -3.575 1.00 64.13 O ATOM 541 CB LYS A 35 6.173 1.584 -5.214 1.00 13.22 C ATOM 542 CG LYS A 35 7.072 1.000 -6.289 1.00 71.01 C ATOM 543 CD LYS A 35 6.592 1.373 -7.682 1.00 0.11 C ATOM 544 CE LYS A 35 5.466 0.461 -8.146 1.00 1.30 C ATOM 545 NZ LYS A 35 5.937 -0.934 -8.365 1.00 70.53 N ATOM 0 H LYS A 35 5.293 2.754 -3.231 1.00 11.34 H new ATOM 0 HA LYS A 35 6.274 0.191 -3.580 1.00 15.42 H new ATOM 0 HB2 LYS A 35 5.151 1.243 -5.381 1.00 13.22 H new ATOM 0 HB3 LYS A 35 6.166 2.670 -5.308 1.00 13.22 H new ATOM 0 HG2 LYS A 35 8.091 1.359 -6.146 1.00 71.01 H new ATOM 0 HG3 LYS A 35 7.100 -0.085 -6.191 1.00 71.01 H new ATOM 0 HD2 LYS A 35 6.248 2.407 -7.685 1.00 0.11 H new ATOM 0 HD3 LYS A 35 7.424 1.311 -8.383 1.00 0.11 H new ATOM 0 HE2 LYS A 35 4.668 0.463 -7.403 1.00 1.30 H new ATOM 0 HE3 LYS A 35 5.041 0.850 -9.071 1.00 1.30 H new ATOM 0 HZ1 LYS A 35 5.162 -1.504 -8.761 1.00 70.53 H new ATOM 0 HZ2 LYS A 35 6.738 -0.930 -9.029 1.00 70.53 H new ATOM 0 HZ3 LYS A 35 6.241 -1.344 -7.459 1.00 70.53 H new ATOM 555 N VAL A 36 8.657 2.485 -3.670 1.00 73.33 N ATOM 556 CA VAL A 36 10.099 2.679 -3.558 1.00 0.44 C ATOM 557 C VAL A 36 10.564 2.512 -2.116 1.00 45.42 C ATOM 558 O VAL A 36 11.659 2.012 -1.861 1.00 34.40 O ATOM 559 CB VAL A 36 10.517 4.072 -4.061 1.00 73.54 C ATOM 560 CG1 VAL A 36 12.030 4.226 -4.009 1.00 75.32 C ATOM 561 CG2 VAL A 36 9.999 4.307 -5.472 1.00 13.51 C ATOM 0 H VAL A 36 8.120 3.349 -3.747 1.00 73.33 H new ATOM 0 HA VAL A 36 10.571 1.919 -4.180 1.00 0.44 H new ATOM 0 HB VAL A 36 10.075 4.823 -3.406 1.00 73.54 H new ATOM 0 HG11 VAL A 36 12.307 5.217 -4.368 1.00 75.32 H new ATOM 0 HG12 VAL A 36 12.373 4.103 -2.982 1.00 75.32 H new ATOM 0 HG13 VAL A 36 12.495 3.468 -4.640 1.00 75.32 H new ATOM 0 HG21 VAL A 36 10.304 5.297 -5.811 1.00 13.51 H new ATOM 0 HG22 VAL A 36 10.410 3.551 -6.141 1.00 13.51 H new ATOM 0 HG23 VAL A 36 8.911 4.241 -5.476 1.00 13.51 H new ATOM 571 N GLU A 37 9.722 2.931 -1.175 1.00 61.42 N ATOM 572 CA GLU A 37 10.049 2.826 0.243 1.00 33.31 C ATOM 573 C GLU A 37 10.544 1.424 0.585 1.00 12.24 C ATOM 574 O GLU A 37 11.600 1.259 1.196 1.00 11.20 O ATOM 575 CB GLU A 37 8.827 3.171 1.096 1.00 51.23 C ATOM 576 CG GLU A 37 8.495 4.653 1.114 1.00 54.43 C ATOM 577 CD GLU A 37 9.429 5.450 2.004 1.00 42.21 C ATOM 578 OE1 GLU A 37 9.909 4.891 3.013 1.00 21.22 O ATOM 579 OE2 GLU A 37 9.680 6.633 1.693 1.00 70.52 O ATOM 0 H GLU A 37 8.810 3.345 -1.369 1.00 61.42 H new ATOM 0 HA GLU A 37 10.847 3.536 0.460 1.00 33.31 H new ATOM 0 HB2 GLU A 37 7.965 2.619 0.721 1.00 51.23 H new ATOM 0 HB3 GLU A 37 9.001 2.834 2.118 1.00 51.23 H new ATOM 0 HG2 GLU A 37 8.545 5.045 0.098 1.00 54.43 H new ATOM 0 HG3 GLU A 37 7.469 4.787 1.457 1.00 54.43 H new ATOM 584 N TYR A 38 9.773 0.418 0.188 1.00 41.25 N ATOM 585 CA TYR A 38 10.130 -0.970 0.455 1.00 22.20 C ATOM 586 C TYR A 38 10.762 -1.617 -0.774 1.00 14.24 C ATOM 587 O TYR A 38 11.701 -2.403 -0.663 1.00 61.31 O ATOM 588 CB TYR A 38 8.895 -1.764 0.885 1.00 34.50 C ATOM 589 CG TYR A 38 8.151 -1.144 2.046 1.00 71.14 C ATOM 590 CD1 TYR A 38 8.757 -0.999 3.287 1.00 51.23 C ATOM 591 CD2 TYR A 38 6.841 -0.702 1.901 1.00 72.25 C ATOM 592 CE1 TYR A 38 8.081 -0.434 4.351 1.00 2.14 C ATOM 593 CE2 TYR A 38 6.158 -0.134 2.959 1.00 21.04 C ATOM 594 CZ TYR A 38 6.782 -0.003 4.181 1.00 4.33 C ATOM 595 OH TYR A 38 6.105 0.562 5.238 1.00 42.04 O ATOM 0 H TYR A 38 8.897 0.538 -0.320 1.00 41.25 H new ATOM 0 HA TYR A 38 10.860 -0.980 1.264 1.00 22.20 H new ATOM 0 HB2 TYR A 38 8.217 -1.853 0.036 1.00 34.50 H new ATOM 0 HB3 TYR A 38 9.200 -2.774 1.158 1.00 34.50 H new ATOM 0 HD1 TYR A 38 9.775 -1.334 3.423 1.00 51.23 H new ATOM 0 HD2 TYR A 38 6.349 -0.804 0.945 1.00 72.25 H new ATOM 0 HE1 TYR A 38 8.567 -0.330 5.310 1.00 2.14 H new ATOM 0 HE2 TYR A 38 5.141 0.205 2.829 1.00 21.04 H new ATOM 0 HH TYR A 38 5.618 -0.135 5.725 1.00 42.04 H new ATOM 604 N GLY A 39 10.237 -1.278 -1.948 1.00 41.01 N ATOM 605 CA GLY A 39 10.761 -1.833 -3.183 1.00 42.21 C ATOM 606 C GLY A 39 9.689 -2.507 -4.016 1.00 14.22 C ATOM 607 O GLY A 39 8.559 -2.684 -3.561 1.00 20.32 O ATOM 0 H GLY A 39 9.459 -0.629 -2.066 1.00 41.01 H new ATOM 0 HA2 GLY A 39 11.225 -1.038 -3.767 1.00 42.21 H new ATOM 0 HA3 GLY A 39 11.544 -2.555 -2.950 1.00 42.21 H new ATOM 611 N SER A 40 10.043 -2.881 -5.241 1.00 3.24 N ATOM 612 CA SER A 40 9.100 -3.534 -6.143 1.00 52.31 C ATOM 613 C SER A 40 8.484 -4.765 -5.486 1.00 42.52 C ATOM 614 O SER A 40 7.333 -5.113 -5.751 1.00 75.43 O ATOM 615 CB SER A 40 9.800 -3.933 -7.444 1.00 53.11 C ATOM 616 OG SER A 40 11.004 -4.633 -7.182 1.00 22.13 O ATOM 0 H SER A 40 10.975 -2.743 -5.632 1.00 3.24 H new ATOM 0 HA SER A 40 8.302 -2.827 -6.370 1.00 52.31 H new ATOM 0 HB2 SER A 40 9.135 -4.557 -8.041 1.00 53.11 H new ATOM 0 HB3 SER A 40 10.015 -3.041 -8.033 1.00 53.11 H new ATOM 0 HG SER A 40 11.431 -4.878 -8.029 1.00 22.13 H new ATOM 621 N GLU A 41 9.258 -5.421 -4.627 1.00 74.01 N ATOM 622 CA GLU A 41 8.788 -6.613 -3.932 1.00 53.04 C ATOM 623 C GLU A 41 7.457 -6.349 -3.236 1.00 23.44 C ATOM 624 O GLU A 41 6.534 -7.161 -3.308 1.00 30.20 O ATOM 625 CB GLU A 41 9.828 -7.076 -2.908 1.00 21.33 C ATOM 626 CG GLU A 41 10.250 -8.525 -3.083 1.00 41.23 C ATOM 627 CD GLU A 41 11.224 -8.716 -4.230 1.00 15.33 C ATOM 628 OE1 GLU A 41 12.254 -8.012 -4.256 1.00 41.05 O ATOM 629 OE2 GLU A 41 10.953 -9.570 -5.101 1.00 52.33 O ATOM 0 H GLU A 41 10.213 -5.147 -4.396 1.00 74.01 H new ATOM 0 HA GLU A 41 8.641 -7.399 -4.672 1.00 53.04 H new ATOM 0 HB2 GLU A 41 10.709 -6.438 -2.983 1.00 21.33 H new ATOM 0 HB3 GLU A 41 9.423 -6.943 -1.905 1.00 21.33 H new ATOM 0 HG2 GLU A 41 10.708 -8.880 -2.160 1.00 41.23 H new ATOM 0 HG3 GLU A 41 9.366 -9.138 -3.256 1.00 41.23 H new ATOM 634 N PHE A 42 7.364 -5.207 -2.563 1.00 33.24 N ATOM 635 CA PHE A 42 6.145 -4.835 -1.853 1.00 70.24 C ATOM 636 C PHE A 42 4.986 -4.643 -2.826 1.00 65.30 C ATOM 637 O PHE A 42 3.919 -5.237 -2.666 1.00 12.32 O ATOM 638 CB PHE A 42 6.369 -3.553 -1.050 1.00 11.22 C ATOM 639 CG PHE A 42 5.105 -2.972 -0.481 1.00 63.31 C ATOM 640 CD1 PHE A 42 4.334 -3.699 0.410 1.00 43.43 C ATOM 641 CD2 PHE A 42 4.688 -1.701 -0.841 1.00 52.22 C ATOM 642 CE1 PHE A 42 3.171 -3.168 0.936 1.00 64.12 C ATOM 643 CE2 PHE A 42 3.527 -1.165 -0.318 1.00 0.11 C ATOM 644 CZ PHE A 42 2.766 -1.900 0.570 1.00 44.33 C ATOM 0 H PHE A 42 8.118 -4.523 -2.494 1.00 33.24 H new ATOM 0 HA PHE A 42 5.891 -5.645 -1.169 1.00 70.24 H new ATOM 0 HB2 PHE A 42 7.063 -3.761 -0.235 1.00 11.22 H new ATOM 0 HB3 PHE A 42 6.844 -2.811 -1.691 1.00 11.22 H new ATOM 0 HD1 PHE A 42 4.645 -4.693 0.697 1.00 43.43 H new ATOM 0 HD2 PHE A 42 5.277 -1.123 -1.538 1.00 52.22 H new ATOM 0 HE1 PHE A 42 2.580 -3.744 1.632 1.00 64.12 H new ATOM 0 HE2 PHE A 42 3.214 -0.171 -0.603 1.00 0.11 H new ATOM 0 HZ PHE A 42 1.856 -1.484 0.977 1.00 44.33 H new ATOM 653 N THR A 43 5.202 -3.808 -3.839 1.00 44.53 N ATOM 654 CA THR A 43 4.176 -3.536 -4.837 1.00 54.01 C ATOM 655 C THR A 43 3.690 -4.823 -5.493 1.00 53.15 C ATOM 656 O THR A 43 2.489 -5.040 -5.645 1.00 2.34 O ATOM 657 CB THR A 43 4.695 -2.581 -5.929 1.00 74.02 C ATOM 658 OG1 THR A 43 5.757 -1.774 -5.410 1.00 53.21 O ATOM 659 CG2 THR A 43 3.576 -1.687 -6.443 1.00 44.15 C ATOM 0 H THR A 43 6.079 -3.309 -3.989 1.00 44.53 H new ATOM 0 HA THR A 43 3.345 -3.063 -4.314 1.00 54.01 H new ATOM 0 HB THR A 43 5.068 -3.182 -6.758 1.00 74.02 H new ATOM 0 HG1 THR A 43 5.389 -0.937 -5.056 1.00 53.21 H new ATOM 0 HG21 THR A 43 3.967 -1.022 -7.213 1.00 44.15 H new ATOM 0 HG22 THR A 43 2.782 -2.304 -6.865 1.00 44.15 H new ATOM 0 HG23 THR A 43 3.177 -1.094 -5.620 1.00 44.15 H new ATOM 667 N LYS A 44 4.632 -5.677 -5.879 1.00 75.15 N ATOM 668 CA LYS A 44 4.301 -6.945 -6.517 1.00 63.14 C ATOM 669 C LYS A 44 3.680 -7.912 -5.514 1.00 11.32 C ATOM 670 O LYS A 44 2.908 -8.794 -5.887 1.00 64.52 O ATOM 671 CB LYS A 44 5.554 -7.571 -7.135 1.00 74.32 C ATOM 672 CG LYS A 44 6.247 -6.673 -8.146 1.00 11.51 C ATOM 673 CD LYS A 44 5.739 -6.926 -9.556 1.00 34.11 C ATOM 674 CE LYS A 44 6.471 -8.087 -10.212 1.00 14.32 C ATOM 675 NZ LYS A 44 5.803 -8.523 -11.470 1.00 50.13 N ATOM 0 H LYS A 44 5.632 -5.513 -5.761 1.00 75.15 H new ATOM 0 HA LYS A 44 3.574 -6.748 -7.305 1.00 63.14 H new ATOM 0 HB2 LYS A 44 6.257 -7.818 -6.339 1.00 74.32 H new ATOM 0 HB3 LYS A 44 5.280 -8.508 -7.621 1.00 74.32 H new ATOM 0 HG2 LYS A 44 6.082 -5.629 -7.880 1.00 11.51 H new ATOM 0 HG3 LYS A 44 7.323 -6.845 -8.109 1.00 11.51 H new ATOM 0 HD2 LYS A 44 4.670 -7.138 -9.526 1.00 34.11 H new ATOM 0 HD3 LYS A 44 5.869 -6.026 -10.158 1.00 34.11 H new ATOM 0 HE2 LYS A 44 7.498 -7.793 -10.429 1.00 14.32 H new ATOM 0 HE3 LYS A 44 6.519 -8.925 -9.517 1.00 14.32 H new ATOM 0 HZ1 LYS A 44 6.332 -9.316 -11.887 1.00 50.13 H new ATOM 0 HZ2 LYS A 44 4.831 -8.828 -11.259 1.00 50.13 H new ATOM 0 HZ3 LYS A 44 5.779 -7.731 -12.143 1.00 50.13 H new ATOM 685 N GLN A 45 4.020 -7.738 -4.242 1.00 54.03 N ATOM 686 CA GLN A 45 3.494 -8.596 -3.186 1.00 13.01 C ATOM 687 C GLN A 45 2.050 -8.232 -2.859 1.00 15.24 C ATOM 688 O GLN A 45 1.210 -9.108 -2.657 1.00 51.54 O ATOM 689 CB GLN A 45 4.359 -8.482 -1.929 1.00 65.53 C ATOM 690 CG GLN A 45 3.757 -9.167 -0.712 1.00 31.02 C ATOM 691 CD GLN A 45 2.875 -8.240 0.101 1.00 14.14 C ATOM 692 OE1 GLN A 45 1.637 -8.657 0.339 1.00 61.42 O flip ATOM 693 NE2 GLN A 45 3.301 -7.160 0.512 1.00 23.45 N flip ATOM 0 H GLN A 45 4.657 -7.011 -3.917 1.00 54.03 H new ATOM 0 HA GLN A 45 3.518 -9.626 -3.543 1.00 13.01 H new ATOM 0 HB2 GLN A 45 5.339 -8.915 -2.132 1.00 65.53 H new ATOM 0 HB3 GLN A 45 4.517 -7.428 -1.701 1.00 65.53 H new ATOM 0 HG2 GLN A 45 3.172 -10.028 -1.036 1.00 31.02 H new ATOM 0 HG3 GLN A 45 4.559 -9.547 -0.079 1.00 31.02 H new ATOM 0 HE21 GLN A 45 4.259 -6.878 0.306 1.00 23.45 H new ATOM 0 HE22 GLN A 45 2.695 -6.547 1.058 1.00 23.45 H new ATOM 700 N MET A 46 1.769 -6.934 -2.808 1.00 71.21 N ATOM 701 CA MET A 46 0.425 -6.455 -2.505 1.00 21.34 C ATOM 702 C MET A 46 -0.344 -6.151 -3.787 1.00 5.24 C ATOM 703 O MET A 46 -1.467 -5.648 -3.743 1.00 11.45 O ATOM 704 CB MET A 46 0.493 -5.203 -1.629 1.00 13.31 C ATOM 705 CG MET A 46 1.185 -4.028 -2.299 1.00 33.22 C ATOM 706 SD MET A 46 0.047 -2.686 -2.696 1.00 33.34 S ATOM 707 CE MET A 46 -0.475 -2.188 -1.057 1.00 24.23 C ATOM 0 H MET A 46 2.453 -6.196 -2.972 1.00 71.21 H new ATOM 0 HA MET A 46 -0.101 -7.241 -1.963 1.00 21.34 H new ATOM 0 HB2 MET A 46 -0.519 -4.908 -1.352 1.00 13.31 H new ATOM 0 HB3 MET A 46 1.018 -5.444 -0.705 1.00 13.31 H new ATOM 0 HG2 MET A 46 1.970 -3.651 -1.643 1.00 33.22 H new ATOM 0 HG3 MET A 46 1.670 -4.370 -3.213 1.00 33.22 H new ATOM 0 HE1 MET A 46 -1.542 -1.964 -1.067 1.00 24.23 H new ATOM 0 HE2 MET A 46 -0.280 -2.996 -0.352 1.00 24.23 H new ATOM 0 HE3 MET A 46 0.079 -1.300 -0.753 1.00 24.23 H new ATOM 715 N TYR A 47 0.265 -6.459 -4.925 1.00 62.12 N ATOM 716 CA TYR A 47 -0.362 -6.217 -6.219 1.00 32.12 C ATOM 717 C TYR A 47 0.521 -6.723 -7.356 1.00 31.45 C ATOM 718 O TYR A 47 1.436 -6.030 -7.802 1.00 23.43 O ATOM 719 CB TYR A 47 -0.642 -4.724 -6.401 1.00 21.12 C ATOM 720 CG TYR A 47 -1.920 -4.437 -7.158 1.00 35.32 C ATOM 721 CD1 TYR A 47 -3.125 -5.010 -6.770 1.00 75.40 C ATOM 722 CD2 TYR A 47 -1.921 -3.590 -8.260 1.00 4.21 C ATOM 723 CE1 TYR A 47 -4.293 -4.750 -7.459 1.00 21.42 C ATOM 724 CE2 TYR A 47 -3.086 -3.323 -8.954 1.00 42.30 C ATOM 725 CZ TYR A 47 -4.269 -3.906 -8.550 1.00 0.30 C ATOM 726 OH TYR A 47 -5.432 -3.644 -9.238 1.00 55.41 O ATOM 0 H TYR A 47 1.194 -6.877 -4.979 1.00 62.12 H new ATOM 0 HA TYR A 47 -1.305 -6.763 -6.246 1.00 32.12 H new ATOM 0 HB2 TYR A 47 -0.696 -4.250 -5.421 1.00 21.12 H new ATOM 0 HB3 TYR A 47 0.195 -4.267 -6.930 1.00 21.12 H new ATOM 0 HD1 TYR A 47 -3.148 -5.670 -5.915 1.00 75.40 H new ATOM 0 HD2 TYR A 47 -0.996 -3.133 -8.579 1.00 4.21 H new ATOM 0 HE1 TYR A 47 -5.221 -5.205 -7.145 1.00 21.42 H new ATOM 0 HE2 TYR A 47 -3.070 -2.662 -9.808 1.00 42.30 H new ATOM 0 HH TYR A 47 -5.686 -4.432 -9.763 1.00 55.41 H new ATOM 735 N ASP A 48 0.239 -7.935 -7.821 1.00 51.33 N ATOM 736 CA ASP A 48 1.005 -8.535 -8.907 1.00 34.42 C ATOM 737 C ASP A 48 0.405 -8.170 -10.261 1.00 1.41 C ATOM 738 O ASP A 48 -0.455 -8.879 -10.781 1.00 31.14 O ATOM 739 CB ASP A 48 1.051 -10.055 -8.749 1.00 44.22 C ATOM 740 CG ASP A 48 1.643 -10.746 -9.961 1.00 3.30 C ATOM 741 OD1 ASP A 48 2.639 -10.231 -10.511 1.00 53.02 O ATOM 742 OD2 ASP A 48 1.111 -11.803 -10.360 1.00 34.52 O ATOM 0 H ASP A 48 -0.515 -8.521 -7.463 1.00 51.33 H new ATOM 0 HA ASP A 48 2.021 -8.142 -8.862 1.00 34.42 H new ATOM 0 HB2 ASP A 48 1.639 -10.308 -7.867 1.00 44.22 H new ATOM 0 HB3 ASP A 48 0.042 -10.430 -8.577 1.00 44.22 H new ATOM 746 N GLY A 49 0.865 -7.057 -10.827 1.00 13.41 N ATOM 747 CA GLY A 49 0.361 -6.617 -12.114 1.00 61.11 C ATOM 748 C GLY A 49 -0.974 -5.908 -12.003 1.00 14.23 C ATOM 749 O GLY A 49 -1.026 -4.688 -11.847 1.00 71.33 O ATOM 0 H GLY A 49 1.577 -6.453 -10.417 1.00 13.41 H new ATOM 0 HA2 GLY A 49 1.087 -5.948 -12.575 1.00 61.11 H new ATOM 0 HA3 GLY A 49 0.258 -7.478 -12.774 1.00 61.11 H new ATOM 753 N ASN A 50 -2.058 -6.673 -12.084 1.00 61.32 N ATOM 754 CA ASN A 50 -3.399 -6.110 -11.994 1.00 1.14 C ATOM 755 C ASN A 50 -4.122 -6.622 -10.752 1.00 11.50 C ATOM 756 O ASN A 50 -5.114 -6.040 -10.315 1.00 12.54 O ATOM 757 CB ASN A 50 -4.207 -6.458 -13.247 1.00 52.43 C ATOM 758 CG ASN A 50 -4.782 -7.860 -13.192 1.00 10.13 C ATOM 759 OD1 ASN A 50 -5.827 -8.090 -12.585 1.00 1.55 O ATOM 760 ND2 ASN A 50 -4.100 -8.805 -13.829 1.00 14.22 N ATOM 0 H ASN A 50 -2.033 -7.685 -12.212 1.00 61.32 H new ATOM 0 HA ASN A 50 -3.306 -5.027 -11.919 1.00 1.14 H new ATOM 0 HB2 ASN A 50 -5.018 -5.740 -13.364 1.00 52.43 H new ATOM 0 HB3 ASN A 50 -3.569 -6.364 -14.126 1.00 52.43 H new ATOM 0 HD21 ASN A 50 -4.439 -9.767 -13.828 1.00 14.22 H new ATOM 0 HD22 ASN A 50 -3.238 -8.569 -14.320 1.00 14.22 H new ATOM 766 N ASN A 51 -3.616 -7.713 -10.188 1.00 52.42 N ATOM 767 CA ASN A 51 -4.212 -8.304 -8.995 1.00 53.51 C ATOM 768 C ASN A 51 -3.151 -8.982 -8.135 1.00 4.31 C ATOM 769 O ASN A 51 -2.042 -9.252 -8.597 1.00 61.04 O ATOM 770 CB ASN A 51 -5.291 -9.315 -9.387 1.00 44.32 C ATOM 771 CG ASN A 51 -4.707 -10.580 -9.986 1.00 4.13 C ATOM 772 OD1 ASN A 51 -4.029 -10.538 -11.012 1.00 73.13 O ATOM 773 ND2 ASN A 51 -4.970 -11.714 -9.346 1.00 11.22 N ATOM 0 H ASN A 51 -2.794 -8.206 -10.538 1.00 52.42 H new ATOM 0 HA ASN A 51 -4.668 -7.504 -8.412 1.00 53.51 H new ATOM 0 HB2 ASN A 51 -5.881 -9.572 -8.507 1.00 44.32 H new ATOM 0 HB3 ASN A 51 -5.971 -8.857 -10.105 1.00 44.32 H new ATOM 0 HD21 ASN A 51 -4.605 -12.597 -9.702 1.00 11.22 H new ATOM 0 HD22 ASN A 51 -5.537 -11.701 -8.498 1.00 11.22 H new ATOM 779 N LEU A 52 -3.499 -9.257 -6.883 1.00 13.43 N ATOM 780 CA LEU A 52 -2.577 -9.905 -5.957 1.00 44.42 C ATOM 781 C LEU A 52 -1.953 -11.146 -6.588 1.00 22.35 C ATOM 782 O LEU A 52 -2.498 -11.713 -7.536 1.00 45.31 O ATOM 783 CB LEU A 52 -3.303 -10.286 -4.666 1.00 3.32 C ATOM 784 CG LEU A 52 -4.016 -9.147 -3.936 1.00 43.34 C ATOM 785 CD1 LEU A 52 -3.340 -7.818 -4.232 1.00 0.44 C ATOM 786 CD2 LEU A 52 -5.486 -9.100 -4.327 1.00 61.52 C ATOM 0 H LEU A 52 -4.413 -9.041 -6.486 1.00 13.43 H new ATOM 0 HA LEU A 52 -1.780 -9.199 -5.724 1.00 44.42 H new ATOM 0 HB2 LEU A 52 -4.037 -11.057 -4.900 1.00 3.32 H new ATOM 0 HB3 LEU A 52 -2.579 -10.731 -3.984 1.00 3.32 H new ATOM 0 HG LEU A 52 -3.953 -9.332 -2.864 1.00 43.34 H new ATOM 0 HD11 LEU A 52 -3.861 -7.019 -3.704 1.00 0.44 H new ATOM 0 HD12 LEU A 52 -2.302 -7.856 -3.900 1.00 0.44 H new ATOM 0 HD13 LEU A 52 -3.371 -7.625 -5.304 1.00 0.44 H new ATOM 0 HD21 LEU A 52 -5.977 -8.283 -3.798 1.00 61.52 H new ATOM 0 HD22 LEU A 52 -5.572 -8.940 -5.402 1.00 61.52 H new ATOM 0 HD23 LEU A 52 -5.963 -10.043 -4.062 1.00 61.52 H new ATOM 797 N PHE A 53 -0.810 -11.565 -6.056 1.00 33.21 N ATOM 798 CA PHE A 53 -0.114 -12.739 -6.567 1.00 73.44 C ATOM 799 C PHE A 53 -0.778 -14.022 -6.075 1.00 32.04 C ATOM 800 O PHE A 53 -1.319 -14.797 -6.864 1.00 33.03 O ATOM 801 CB PHE A 53 1.355 -12.715 -6.136 1.00 31.04 C ATOM 802 CG PHE A 53 2.091 -13.987 -6.445 1.00 11.31 C ATOM 803 CD1 PHE A 53 2.002 -14.568 -7.700 1.00 60.11 C ATOM 804 CD2 PHE A 53 2.871 -14.603 -5.479 1.00 61.23 C ATOM 805 CE1 PHE A 53 2.678 -15.738 -7.986 1.00 65.54 C ATOM 806 CE2 PHE A 53 3.550 -15.774 -5.760 1.00 32.41 C ATOM 807 CZ PHE A 53 3.452 -16.343 -7.015 1.00 73.04 C ATOM 0 H PHE A 53 -0.346 -11.108 -5.271 1.00 33.21 H new ATOM 0 HA PHE A 53 -0.167 -12.717 -7.655 1.00 73.44 H new ATOM 0 HB2 PHE A 53 1.857 -11.884 -6.632 1.00 31.04 H new ATOM 0 HB3 PHE A 53 1.408 -12.525 -5.064 1.00 31.04 H new ATOM 0 HD1 PHE A 53 1.397 -14.101 -8.463 1.00 60.11 H new ATOM 0 HD2 PHE A 53 2.949 -14.163 -4.496 1.00 61.23 H new ATOM 0 HE1 PHE A 53 2.601 -16.180 -8.969 1.00 65.54 H new ATOM 0 HE2 PHE A 53 4.156 -16.243 -4.999 1.00 32.41 H new ATOM 0 HZ PHE A 53 3.979 -17.259 -7.236 1.00 73.04 H new ATOM 816 N LYS A 54 -0.732 -14.241 -4.765 1.00 71.41 N ATOM 817 CA LYS A 54 -1.329 -15.427 -4.166 1.00 44.23 C ATOM 818 C LYS A 54 -2.801 -15.194 -3.846 1.00 15.45 C ATOM 819 O LYS A 54 -3.671 -15.938 -4.299 1.00 70.24 O ATOM 820 CB LYS A 54 -0.575 -15.816 -2.893 1.00 53.54 C ATOM 821 CG LYS A 54 -1.133 -17.051 -2.206 1.00 70.42 C ATOM 822 CD LYS A 54 -1.007 -18.282 -3.088 1.00 23.21 C ATOM 823 CE LYS A 54 -2.353 -18.698 -3.660 1.00 64.32 C ATOM 824 NZ LYS A 54 -2.353 -20.121 -4.101 1.00 52.25 N ATOM 0 H LYS A 54 -0.287 -13.611 -4.098 1.00 71.41 H new ATOM 0 HA LYS A 54 -1.257 -16.241 -4.887 1.00 44.23 H new ATOM 0 HB2 LYS A 54 0.472 -15.991 -3.140 1.00 53.54 H new ATOM 0 HB3 LYS A 54 -0.602 -14.979 -2.195 1.00 53.54 H new ATOM 0 HG2 LYS A 54 -0.603 -17.218 -1.268 1.00 70.42 H new ATOM 0 HG3 LYS A 54 -2.181 -16.887 -1.955 1.00 70.42 H new ATOM 0 HD2 LYS A 54 -0.312 -18.078 -3.902 1.00 23.21 H new ATOM 0 HD3 LYS A 54 -0.587 -19.104 -2.509 1.00 23.21 H new ATOM 0 HE2 LYS A 54 -3.128 -18.551 -2.908 1.00 64.32 H new ATOM 0 HE3 LYS A 54 -2.603 -18.056 -4.505 1.00 64.32 H new ATOM 0 HZ1 LYS A 54 -3.288 -20.366 -4.485 1.00 52.25 H new ATOM 0 HZ2 LYS A 54 -1.631 -20.256 -4.837 1.00 52.25 H new ATOM 0 HZ3 LYS A 54 -2.140 -20.736 -3.290 1.00 52.25 H new ATOM 834 N ASN A 55 -3.075 -14.155 -3.064 1.00 53.12 N ATOM 835 CA ASN A 55 -4.443 -13.822 -2.684 1.00 42.11 C ATOM 836 C ASN A 55 -4.462 -12.892 -1.475 1.00 40.32 C ATOM 837 O ASN A 55 -5.205 -13.114 -0.519 1.00 10.11 O ATOM 838 CB ASN A 55 -5.232 -15.096 -2.375 1.00 14.32 C ATOM 839 CG ASN A 55 -6.214 -15.449 -3.475 1.00 43.14 C ATOM 840 OD1 ASN A 55 -6.220 -16.573 -3.979 1.00 0.45 O ATOM 841 ND2 ASN A 55 -7.049 -14.489 -3.854 1.00 14.10 N ATOM 0 H ASN A 55 -2.367 -13.529 -2.681 1.00 53.12 H new ATOM 0 HA ASN A 55 -4.911 -13.306 -3.522 1.00 42.11 H new ATOM 0 HB2 ASN A 55 -4.538 -15.924 -2.232 1.00 14.32 H new ATOM 0 HB3 ASN A 55 -5.772 -14.967 -1.437 1.00 14.32 H new ATOM 0 HD21 ASN A 55 -7.731 -14.668 -4.591 1.00 14.10 H new ATOM 0 HD22 ASN A 55 -7.008 -13.572 -3.408 1.00 14.10 H new ATOM 847 N VAL A 56 -3.638 -11.850 -1.523 1.00 24.51 N ATOM 848 CA VAL A 56 -3.560 -10.886 -0.433 1.00 51.30 C ATOM 849 C VAL A 56 -4.859 -10.097 -0.304 1.00 54.15 C ATOM 850 O VAL A 56 -5.466 -9.713 -1.304 1.00 73.53 O ATOM 851 CB VAL A 56 -2.392 -9.902 -0.636 1.00 51.30 C ATOM 852 CG1 VAL A 56 -2.112 -9.133 0.647 1.00 5.03 C ATOM 853 CG2 VAL A 56 -1.149 -10.641 -1.106 1.00 21.34 C ATOM 0 H VAL A 56 -3.015 -11.652 -2.306 1.00 24.51 H new ATOM 0 HA VAL A 56 -3.391 -11.455 0.481 1.00 51.30 H new ATOM 0 HB VAL A 56 -2.674 -9.185 -1.407 1.00 51.30 H new ATOM 0 HG11 VAL A 56 -1.284 -8.443 0.484 1.00 5.03 H new ATOM 0 HG12 VAL A 56 -3.001 -8.572 0.936 1.00 5.03 H new ATOM 0 HG13 VAL A 56 -1.851 -9.833 1.441 1.00 5.03 H new ATOM 0 HG21 VAL A 56 -0.334 -9.931 -1.244 1.00 21.34 H new ATOM 0 HG22 VAL A 56 -0.862 -11.382 -0.360 1.00 21.34 H new ATOM 0 HG23 VAL A 56 -1.359 -11.141 -2.052 1.00 21.34 H new ATOM 863 N ILE A 57 -5.279 -9.857 0.934 1.00 61.43 N ATOM 864 CA ILE A 57 -6.504 -9.113 1.193 1.00 13.52 C ATOM 865 C ILE A 57 -6.211 -7.815 1.940 1.00 43.43 C ATOM 866 O ILE A 57 -5.876 -7.832 3.125 1.00 74.33 O ATOM 867 CB ILE A 57 -7.507 -9.947 2.011 1.00 51.40 C ATOM 868 CG1 ILE A 57 -7.900 -11.210 1.242 1.00 72.13 C ATOM 869 CG2 ILE A 57 -8.740 -9.118 2.342 1.00 72.30 C ATOM 870 CD1 ILE A 57 -8.094 -12.420 2.128 1.00 63.21 C ATOM 0 H ILE A 57 -4.788 -10.167 1.773 1.00 61.43 H new ATOM 0 HA ILE A 57 -6.943 -8.881 0.223 1.00 13.52 H new ATOM 0 HB ILE A 57 -7.032 -10.245 2.945 1.00 51.40 H new ATOM 0 HG12 ILE A 57 -8.823 -11.020 0.694 1.00 72.13 H new ATOM 0 HG13 ILE A 57 -7.130 -11.430 0.503 1.00 72.13 H new ATOM 0 HG21 ILE A 57 -9.440 -9.721 2.920 1.00 72.30 H new ATOM 0 HG22 ILE A 57 -8.446 -8.245 2.925 1.00 72.30 H new ATOM 0 HG23 ILE A 57 -9.219 -8.793 1.418 1.00 72.30 H new ATOM 0 HD11 ILE A 57 -8.371 -13.278 1.516 1.00 63.21 H new ATOM 0 HD12 ILE A 57 -7.166 -12.636 2.657 1.00 63.21 H new ATOM 0 HD13 ILE A 57 -8.885 -12.219 2.850 1.00 63.21 H new ATOM 881 N ILE A 58 -6.342 -6.694 1.240 1.00 2.25 N ATOM 882 CA ILE A 58 -6.094 -5.388 1.838 1.00 35.24 C ATOM 883 C ILE A 58 -7.315 -4.482 1.705 1.00 52.41 C ATOM 884 O ILE A 58 -7.945 -4.421 0.649 1.00 72.11 O ATOM 885 CB ILE A 58 -4.882 -4.693 1.190 1.00 20.52 C ATOM 886 CG1 ILE A 58 -5.010 -3.174 1.317 1.00 72.33 C ATOM 887 CG2 ILE A 58 -4.757 -5.099 -0.271 1.00 74.24 C ATOM 888 CD1 ILE A 58 -3.736 -2.430 0.978 1.00 13.30 C ATOM 0 H ILE A 58 -6.618 -6.663 0.259 1.00 2.25 H new ATOM 0 HA ILE A 58 -5.883 -5.559 2.894 1.00 35.24 H new ATOM 0 HB ILE A 58 -3.979 -5.008 1.713 1.00 20.52 H new ATOM 0 HG12 ILE A 58 -5.809 -2.829 0.661 1.00 72.33 H new ATOM 0 HG13 ILE A 58 -5.306 -2.926 2.336 1.00 72.33 H new ATOM 0 HG21 ILE A 58 -3.896 -4.600 -0.715 1.00 74.24 H new ATOM 0 HG22 ILE A 58 -4.625 -6.179 -0.339 1.00 74.24 H new ATOM 0 HG23 ILE A 58 -5.661 -4.810 -0.808 1.00 74.24 H new ATOM 0 HD11 ILE A 58 -3.900 -1.358 1.090 1.00 13.30 H new ATOM 0 HD12 ILE A 58 -2.939 -2.747 1.651 1.00 13.30 H new ATOM 0 HD13 ILE A 58 -3.450 -2.648 -0.051 1.00 13.30 H new ATOM 899 N LEU A 59 -7.642 -3.779 2.784 1.00 52.02 N ATOM 900 CA LEU A 59 -8.786 -2.874 2.789 1.00 10.32 C ATOM 901 C LEU A 59 -8.353 -1.451 3.124 1.00 13.32 C ATOM 902 O LEU A 59 -7.495 -1.236 3.981 1.00 22.33 O ATOM 903 CB LEU A 59 -9.834 -3.351 3.797 1.00 54.34 C ATOM 904 CG LEU A 59 -10.760 -4.471 3.323 1.00 41.10 C ATOM 905 CD1 LEU A 59 -11.584 -5.010 4.482 1.00 15.04 C ATOM 906 CD2 LEU A 59 -11.667 -3.975 2.206 1.00 21.01 C ATOM 0 H LEU A 59 -7.131 -3.818 3.666 1.00 52.02 H new ATOM 0 HA LEU A 59 -9.224 -2.875 1.791 1.00 10.32 H new ATOM 0 HB2 LEU A 59 -9.317 -3.690 4.695 1.00 54.34 H new ATOM 0 HB3 LEU A 59 -10.447 -2.497 4.085 1.00 54.34 H new ATOM 0 HG LEU A 59 -10.146 -5.283 2.933 1.00 41.10 H new ATOM 0 HD11 LEU A 59 -12.237 -5.806 4.125 1.00 15.04 H new ATOM 0 HD12 LEU A 59 -10.918 -5.404 5.250 1.00 15.04 H new ATOM 0 HD13 LEU A 59 -12.188 -4.207 4.903 1.00 15.04 H new ATOM 0 HD21 LEU A 59 -12.320 -4.785 1.880 1.00 21.01 H new ATOM 0 HD22 LEU A 59 -12.273 -3.145 2.570 1.00 21.01 H new ATOM 0 HD23 LEU A 59 -11.059 -3.639 1.366 1.00 21.01 H new ATOM 917 N VAL A 60 -8.954 -0.480 2.445 1.00 32.14 N ATOM 918 CA VAL A 60 -8.634 0.925 2.672 1.00 52.11 C ATOM 919 C VAL A 60 -9.825 1.672 3.259 1.00 12.40 C ATOM 920 O VAL A 60 -10.856 1.829 2.606 1.00 74.23 O ATOM 921 CB VAL A 60 -8.198 1.619 1.369 1.00 60.45 C ATOM 922 CG1 VAL A 60 -7.880 3.085 1.624 1.00 0.03 C ATOM 923 CG2 VAL A 60 -7.000 0.905 0.760 1.00 2.02 C ATOM 0 H VAL A 60 -9.666 -0.640 1.732 1.00 32.14 H new ATOM 0 HA VAL A 60 -7.807 0.950 3.382 1.00 52.11 H new ATOM 0 HB VAL A 60 -9.023 1.569 0.659 1.00 60.45 H new ATOM 0 HG11 VAL A 60 -7.574 3.558 0.691 1.00 0.03 H new ATOM 0 HG12 VAL A 60 -8.766 3.587 2.012 1.00 0.03 H new ATOM 0 HG13 VAL A 60 -7.072 3.161 2.352 1.00 0.03 H new ATOM 0 HG21 VAL A 60 -6.705 1.409 -0.160 1.00 2.02 H new ATOM 0 HG22 VAL A 60 -6.169 0.922 1.465 1.00 2.02 H new ATOM 0 HG23 VAL A 60 -7.266 -0.128 0.538 1.00 2.02 H new ATOM 933 N ASN A 61 -9.676 2.133 4.497 1.00 31.04 N ATOM 934 CA ASN A 61 -10.741 2.866 5.173 1.00 24.14 C ATOM 935 C ASN A 61 -11.977 1.990 5.348 1.00 0.13 C ATOM 936 O ASN A 61 -13.100 2.489 5.423 1.00 72.11 O ATOM 937 CB ASN A 61 -11.102 4.126 4.384 1.00 22.00 C ATOM 938 CG ASN A 61 -12.011 5.055 5.164 1.00 14.03 C ATOM 939 OD1 ASN A 61 -11.630 5.355 6.400 1.00 22.22 O flip ATOM 940 ND2 ASN A 61 -13.044 5.499 4.661 1.00 14.52 N flip ATOM 0 H ASN A 61 -8.829 2.012 5.052 1.00 31.04 H new ATOM 0 HA ASN A 61 -10.380 3.155 6.160 1.00 24.14 H new ATOM 0 HB2 ASN A 61 -10.189 4.657 4.115 1.00 22.00 H new ATOM 0 HB3 ASN A 61 -11.591 3.841 3.453 1.00 22.00 H new ATOM 0 HD21 ASN A 61 -13.298 5.242 3.707 1.00 14.52 H new ATOM 0 HD22 ASN A 61 -13.645 6.124 5.198 1.00 14.52 H new ATOM 946 N GLY A 62 -11.763 0.679 5.412 1.00 12.52 N ATOM 947 CA GLY A 62 -12.870 -0.246 5.578 1.00 50.23 C ATOM 948 C GLY A 62 -13.615 -0.496 4.282 1.00 2.15 C ATOM 949 O GLY A 62 -14.833 -0.671 4.283 1.00 63.31 O ATOM 0 H GLY A 62 -10.844 0.241 5.352 1.00 12.52 H new ATOM 0 HA2 GLY A 62 -12.494 -1.193 5.966 1.00 50.23 H new ATOM 0 HA3 GLY A 62 -13.562 0.150 6.321 1.00 50.23 H new ATOM 953 N ASN A 63 -12.883 -0.512 3.173 1.00 73.31 N ATOM 954 CA ASN A 63 -13.483 -0.741 1.864 1.00 11.44 C ATOM 955 C ASN A 63 -12.413 -0.813 0.780 1.00 60.14 C ATOM 956 O ASN A 63 -11.431 -0.072 0.812 1.00 71.10 O ATOM 957 CB ASN A 63 -14.482 0.371 1.537 1.00 33.53 C ATOM 958 CG ASN A 63 -15.607 -0.107 0.639 1.00 40.32 C ATOM 959 OD1 ASN A 63 -15.488 -0.091 -0.587 1.00 51.52 O ATOM 960 ND2 ASN A 63 -16.706 -0.536 1.248 1.00 23.33 N ATOM 0 H ASN A 63 -11.873 -0.369 3.155 1.00 73.31 H new ATOM 0 HA ASN A 63 -14.008 -1.696 1.895 1.00 11.44 H new ATOM 0 HB2 ASN A 63 -14.902 0.762 2.464 1.00 33.53 H new ATOM 0 HB3 ASN A 63 -13.958 1.195 1.052 1.00 33.53 H new ATOM 0 HD21 ASN A 63 -17.497 -0.871 0.697 1.00 23.33 H new ATOM 0 HD22 ASN A 63 -16.760 -0.531 2.267 1.00 23.33 H new ATOM 966 N ASN A 64 -12.609 -1.711 -0.180 1.00 30.20 N ATOM 967 CA ASN A 64 -11.661 -1.881 -1.275 1.00 15.30 C ATOM 968 C ASN A 64 -11.717 -0.695 -2.233 1.00 11.24 C ATOM 969 O ASN A 64 -12.791 -0.312 -2.699 1.00 54.03 O ATOM 970 CB ASN A 64 -11.952 -3.178 -2.033 1.00 21.11 C ATOM 971 CG ASN A 64 -13.394 -3.267 -2.492 1.00 43.11 C ATOM 972 OD1 ASN A 64 -14.316 -3.296 -1.677 1.00 52.11 O ATOM 973 ND2 ASN A 64 -13.595 -3.313 -3.804 1.00 4.34 N ATOM 0 H ASN A 64 -13.417 -2.333 -0.222 1.00 30.20 H new ATOM 0 HA ASN A 64 -10.659 -1.934 -0.849 1.00 15.30 H new ATOM 0 HB2 ASN A 64 -11.293 -3.246 -2.899 1.00 21.11 H new ATOM 0 HB3 ASN A 64 -11.724 -4.030 -1.392 1.00 21.11 H new ATOM 0 HD21 ASN A 64 -14.544 -3.375 -4.173 1.00 4.34 H new ATOM 0 HD22 ASN A 64 -12.800 -3.286 -4.443 1.00 4.34 H new ATOM 979 N ILE A 65 -10.555 -0.118 -2.522 1.00 5.55 N ATOM 980 CA ILE A 65 -10.473 1.022 -3.425 1.00 52.34 C ATOM 981 C ILE A 65 -11.025 0.673 -4.803 1.00 73.33 C ATOM 982 O ILE A 65 -11.586 1.524 -5.493 1.00 32.43 O ATOM 983 CB ILE A 65 -9.023 1.517 -3.575 1.00 74.30 C ATOM 984 CG1 ILE A 65 -8.142 0.413 -4.165 1.00 34.32 C ATOM 985 CG2 ILE A 65 -8.477 1.975 -2.231 1.00 35.20 C ATOM 986 CD1 ILE A 65 -6.695 0.821 -4.336 1.00 22.14 C ATOM 0 H ILE A 65 -9.658 -0.422 -2.143 1.00 5.55 H new ATOM 0 HA ILE A 65 -11.076 1.817 -2.986 1.00 52.34 H new ATOM 0 HB ILE A 65 -9.015 2.367 -4.257 1.00 74.30 H new ATOM 0 HG12 ILE A 65 -8.190 -0.463 -3.519 1.00 34.32 H new ATOM 0 HG13 ILE A 65 -8.544 0.117 -5.134 1.00 34.32 H new ATOM 0 HG21 ILE A 65 -7.451 2.322 -2.354 1.00 35.20 H new ATOM 0 HG22 ILE A 65 -9.092 2.789 -1.847 1.00 35.20 H new ATOM 0 HG23 ILE A 65 -8.497 1.143 -1.528 1.00 35.20 H new ATOM 0 HD11 ILE A 65 -6.130 -0.010 -4.758 1.00 22.14 H new ATOM 0 HD12 ILE A 65 -6.636 1.678 -5.006 1.00 22.14 H new ATOM 0 HD13 ILE A 65 -6.276 1.089 -3.366 1.00 22.14 H new ATOM 997 N THR A 66 -10.863 -0.586 -5.198 1.00 53.12 N ATOM 998 CA THR A 66 -11.345 -1.048 -6.493 1.00 61.53 C ATOM 999 C THR A 66 -12.848 -0.834 -6.629 1.00 4.42 C ATOM 1000 O THR A 66 -13.365 -0.678 -7.735 1.00 42.42 O ATOM 1001 CB THR A 66 -11.028 -2.541 -6.710 1.00 14.42 C ATOM 1002 OG1 THR A 66 -11.453 -3.301 -5.574 1.00 2.04 O ATOM 1003 CG2 THR A 66 -9.540 -2.750 -6.939 1.00 73.32 C ATOM 0 H THR A 66 -10.402 -1.304 -4.639 1.00 53.12 H new ATOM 0 HA THR A 66 -10.828 -0.460 -7.251 1.00 61.53 H new ATOM 0 HB THR A 66 -11.566 -2.880 -7.595 1.00 14.42 H new ATOM 0 HG1 THR A 66 -11.993 -4.062 -5.873 1.00 2.04 H new ATOM 0 HG21 THR A 66 -9.341 -3.811 -7.090 1.00 73.32 H new ATOM 0 HG22 THR A 66 -9.226 -2.193 -7.822 1.00 73.32 H new ATOM 0 HG23 THR A 66 -8.985 -2.396 -6.070 1.00 73.32 H new ATOM 1011 N SER A 67 -13.545 -0.828 -5.497 1.00 43.31 N ATOM 1012 CA SER A 67 -14.990 -0.637 -5.490 1.00 53.41 C ATOM 1013 C SER A 67 -15.380 0.590 -6.309 1.00 32.41 C ATOM 1014 O SER A 67 -16.341 0.558 -7.077 1.00 43.33 O ATOM 1015 CB SER A 67 -15.499 -0.487 -4.054 1.00 24.20 C ATOM 1016 OG SER A 67 -16.840 -0.932 -3.941 1.00 12.43 O ATOM 0 H SER A 67 -13.132 -0.953 -4.573 1.00 43.31 H new ATOM 0 HA SER A 67 -15.450 -1.516 -5.942 1.00 53.41 H new ATOM 0 HB2 SER A 67 -14.864 -1.059 -3.378 1.00 24.20 H new ATOM 0 HB3 SER A 67 -15.432 0.557 -3.748 1.00 24.20 H new ATOM 0 HG SER A 67 -17.142 -0.828 -3.015 1.00 12.43 H new ATOM 1021 N MET A 68 -14.625 1.671 -6.139 1.00 33.12 N ATOM 1022 CA MET A 68 -14.889 2.909 -6.864 1.00 4.32 C ATOM 1023 C MET A 68 -13.683 3.316 -7.704 1.00 21.01 C ATOM 1024 O MET A 68 -13.684 3.163 -8.925 1.00 21.53 O ATOM 1025 CB MET A 68 -15.247 4.030 -5.887 1.00 21.31 C ATOM 1026 CG MET A 68 -14.786 3.766 -4.463 1.00 61.04 C ATOM 1027 SD MET A 68 -15.200 5.112 -3.337 1.00 54.21 S ATOM 1028 CE MET A 68 -16.403 4.311 -2.279 1.00 31.53 C ATOM 0 H MET A 68 -13.826 1.715 -5.506 1.00 33.12 H new ATOM 0 HA MET A 68 -15.732 2.736 -7.533 1.00 4.32 H new ATOM 0 HB2 MET A 68 -14.802 4.962 -6.237 1.00 21.31 H new ATOM 0 HB3 MET A 68 -16.328 4.172 -5.890 1.00 21.31 H new ATOM 0 HG2 MET A 68 -15.242 2.844 -4.103 1.00 61.04 H new ATOM 0 HG3 MET A 68 -13.707 3.612 -4.457 1.00 61.04 H new ATOM 0 HE1 MET A 68 -16.755 5.018 -1.528 1.00 31.53 H new ATOM 0 HE2 MET A 68 -17.246 3.971 -2.880 1.00 31.53 H new ATOM 0 HE3 MET A 68 -15.941 3.456 -1.785 1.00 31.53 H new ATOM 1036 N LYS A 69 -12.655 3.835 -7.042 1.00 42.54 N ATOM 1037 CA LYS A 69 -11.441 4.263 -7.726 1.00 53.14 C ATOM 1038 C LYS A 69 -10.212 3.583 -7.131 1.00 31.52 C ATOM 1039 O LYS A 69 -10.032 3.558 -5.914 1.00 24.54 O ATOM 1040 CB LYS A 69 -11.289 5.783 -7.635 1.00 30.03 C ATOM 1041 CG LYS A 69 -12.054 6.537 -8.710 1.00 1.12 C ATOM 1042 CD LYS A 69 -11.376 6.419 -10.064 1.00 24.32 C ATOM 1043 CE LYS A 69 -12.326 6.777 -11.197 1.00 41.30 C ATOM 1044 NZ LYS A 69 -13.225 5.643 -11.548 1.00 40.33 N ATOM 0 H LYS A 69 -12.638 3.970 -6.031 1.00 42.54 H new ATOM 0 HA LYS A 69 -11.523 3.974 -8.774 1.00 53.14 H new ATOM 0 HB2 LYS A 69 -11.632 6.116 -6.656 1.00 30.03 H new ATOM 0 HB3 LYS A 69 -10.232 6.039 -7.706 1.00 30.03 H new ATOM 0 HG2 LYS A 69 -13.070 6.147 -8.776 1.00 1.12 H new ATOM 0 HG3 LYS A 69 -12.133 7.588 -8.432 1.00 1.12 H new ATOM 0 HD2 LYS A 69 -10.507 7.076 -10.095 1.00 24.32 H new ATOM 0 HD3 LYS A 69 -11.011 5.401 -10.202 1.00 24.32 H new ATOM 0 HE2 LYS A 69 -12.926 7.640 -10.908 1.00 41.30 H new ATOM 0 HE3 LYS A 69 -11.750 7.069 -12.075 1.00 41.30 H new ATOM 0 HZ1 LYS A 69 -13.856 5.928 -12.324 1.00 40.33 H new ATOM 0 HZ2 LYS A 69 -12.654 4.827 -11.848 1.00 40.33 H new ATOM 0 HZ3 LYS A 69 -13.794 5.381 -10.718 1.00 40.33 H new ATOM 1054 N GLY A 70 -9.368 3.034 -7.999 1.00 43.15 N ATOM 1055 CA GLY A 70 -8.165 2.361 -7.541 1.00 12.12 C ATOM 1056 C GLY A 70 -7.258 3.277 -6.743 1.00 62.42 C ATOM 1057 O GLY A 70 -7.477 3.496 -5.552 1.00 53.22 O ATOM 0 H GLY A 70 -9.495 3.043 -9.011 1.00 43.15 H new ATOM 0 HA2 GLY A 70 -8.443 1.504 -6.927 1.00 12.12 H new ATOM 0 HA3 GLY A 70 -7.619 1.973 -8.401 1.00 12.12 H new ATOM 1061 N LEU A 71 -6.234 3.811 -7.401 1.00 12.43 N ATOM 1062 CA LEU A 71 -5.288 4.708 -6.746 1.00 4.14 C ATOM 1063 C LEU A 71 -5.892 6.098 -6.563 1.00 65.42 C ATOM 1064 O LEU A 71 -5.394 6.902 -5.775 1.00 42.33 O ATOM 1065 CB LEU A 71 -3.998 4.803 -7.561 1.00 53.51 C ATOM 1066 CG LEU A 71 -2.850 3.900 -7.108 1.00 53.24 C ATOM 1067 CD1 LEU A 71 -3.256 2.437 -7.189 1.00 35.44 C ATOM 1068 CD2 LEU A 71 -1.606 4.157 -7.946 1.00 54.40 C ATOM 0 H LEU A 71 -6.038 3.638 -8.387 1.00 12.43 H new ATOM 0 HA LEU A 71 -5.059 4.299 -5.762 1.00 4.14 H new ATOM 0 HB2 LEU A 71 -4.230 4.568 -8.600 1.00 53.51 H new ATOM 0 HB3 LEU A 71 -3.652 5.836 -7.537 1.00 53.51 H new ATOM 0 HG LEU A 71 -2.619 4.134 -6.069 1.00 53.24 H new ATOM 0 HD11 LEU A 71 -2.426 1.810 -6.863 1.00 35.44 H new ATOM 0 HD12 LEU A 71 -4.118 2.262 -6.545 1.00 35.44 H new ATOM 0 HD13 LEU A 71 -3.516 2.188 -8.218 1.00 35.44 H new ATOM 0 HD21 LEU A 71 -0.800 3.506 -7.609 1.00 54.40 H new ATOM 0 HD22 LEU A 71 -1.825 3.952 -8.994 1.00 54.40 H new ATOM 0 HD23 LEU A 71 -1.302 5.198 -7.836 1.00 54.40 H new ATOM 1079 N ASP A 72 -6.966 6.371 -7.295 1.00 62.12 N ATOM 1080 CA ASP A 72 -7.639 7.662 -7.211 1.00 60.30 C ATOM 1081 C ASP A 72 -8.472 7.759 -5.937 1.00 20.01 C ATOM 1082 O ASP A 72 -9.037 8.809 -5.630 1.00 13.11 O ATOM 1083 CB ASP A 72 -8.530 7.876 -8.436 1.00 32.03 C ATOM 1084 CG ASP A 72 -7.913 8.828 -9.442 1.00 51.15 C ATOM 1085 OD1 ASP A 72 -7.110 8.366 -10.279 1.00 21.13 O ATOM 1086 OD2 ASP A 72 -8.231 10.035 -9.391 1.00 41.45 O ATOM 0 H ASP A 72 -7.389 5.716 -7.953 1.00 62.12 H new ATOM 0 HA ASP A 72 -6.877 8.441 -7.185 1.00 60.30 H new ATOM 0 HB2 ASP A 72 -8.718 6.916 -8.917 1.00 32.03 H new ATOM 0 HB3 ASP A 72 -9.496 8.267 -8.115 1.00 32.03 H new ATOM 1090 N THR A 73 -8.546 6.656 -5.199 1.00 72.11 N ATOM 1091 CA THR A 73 -9.311 6.616 -3.959 1.00 63.42 C ATOM 1092 C THR A 73 -8.772 7.619 -2.947 1.00 52.22 C ATOM 1093 O THR A 73 -7.579 7.631 -2.648 1.00 53.43 O ATOM 1094 CB THR A 73 -9.290 5.209 -3.332 1.00 1.52 C ATOM 1095 OG1 THR A 73 -10.515 4.524 -3.621 1.00 55.12 O ATOM 1096 CG2 THR A 73 -9.093 5.291 -1.825 1.00 64.21 C ATOM 0 H THR A 73 -8.085 5.778 -5.439 1.00 72.11 H new ATOM 0 HA THR A 73 -10.338 6.878 -4.213 1.00 63.42 H new ATOM 0 HB THR A 73 -8.455 4.656 -3.763 1.00 1.52 H new ATOM 0 HG1 THR A 73 -10.611 4.421 -4.591 1.00 55.12 H new ATOM 0 HG21 THR A 73 -9.082 4.286 -1.404 1.00 64.21 H new ATOM 0 HG22 THR A 73 -8.146 5.786 -1.608 1.00 64.21 H new ATOM 0 HG23 THR A 73 -9.910 5.860 -1.382 1.00 64.21 H new ATOM 1104 N GLU A 74 -9.659 8.459 -2.423 1.00 50.41 N ATOM 1105 CA GLU A 74 -9.270 9.467 -1.443 1.00 22.23 C ATOM 1106 C GLU A 74 -9.080 8.841 -0.065 1.00 70.14 C ATOM 1107 O GLU A 74 -9.795 7.912 0.310 1.00 1.02 O ATOM 1108 CB GLU A 74 -10.324 10.574 -1.372 1.00 12.32 C ATOM 1109 CG GLU A 74 -11.662 10.105 -0.826 1.00 13.55 C ATOM 1110 CD GLU A 74 -12.756 11.143 -0.993 1.00 42.41 C ATOM 1111 OE1 GLU A 74 -12.892 12.009 -0.102 1.00 25.53 O ATOM 1112 OE2 GLU A 74 -13.476 11.089 -2.011 1.00 5.32 O ATOM 0 H GLU A 74 -10.651 8.462 -2.660 1.00 50.41 H new ATOM 0 HA GLU A 74 -8.321 9.899 -1.760 1.00 22.23 H new ATOM 0 HB2 GLU A 74 -9.948 11.382 -0.745 1.00 12.32 H new ATOM 0 HB3 GLU A 74 -10.473 10.987 -2.370 1.00 12.32 H new ATOM 0 HG2 GLU A 74 -11.956 9.187 -1.335 1.00 13.55 H new ATOM 0 HG3 GLU A 74 -11.554 9.863 0.231 1.00 13.55 H new ATOM 1117 N ILE A 75 -8.110 9.356 0.683 1.00 34.41 N ATOM 1118 CA ILE A 75 -7.826 8.849 2.019 1.00 51.34 C ATOM 1119 C ILE A 75 -7.467 9.983 2.974 1.00 72.34 C ATOM 1120 O ILE A 75 -6.460 10.668 2.790 1.00 51.22 O ATOM 1121 CB ILE A 75 -6.675 7.825 2.000 1.00 75.23 C ATOM 1122 CG1 ILE A 75 -5.543 8.316 1.095 1.00 62.31 C ATOM 1123 CG2 ILE A 75 -7.180 6.468 1.536 1.00 35.24 C ATOM 1124 CD1 ILE A 75 -4.301 7.453 1.157 1.00 54.21 C ATOM 0 H ILE A 75 -7.508 10.124 0.386 1.00 34.41 H new ATOM 0 HA ILE A 75 -8.734 8.357 2.369 1.00 51.34 H new ATOM 0 HB ILE A 75 -6.286 7.718 3.013 1.00 75.23 H new ATOM 0 HG12 ILE A 75 -5.901 8.350 0.066 1.00 62.31 H new ATOM 0 HG13 ILE A 75 -5.281 9.336 1.376 1.00 62.31 H new ATOM 0 HG21 ILE A 75 -6.355 5.756 1.528 1.00 35.24 H new ATOM 0 HG22 ILE A 75 -7.956 6.117 2.216 1.00 35.24 H new ATOM 0 HG23 ILE A 75 -7.592 6.557 0.531 1.00 35.24 H new ATOM 0 HD11 ILE A 75 -3.541 7.861 0.491 1.00 54.21 H new ATOM 0 HD12 ILE A 75 -3.919 7.438 2.178 1.00 54.21 H new ATOM 0 HD13 ILE A 75 -4.548 6.437 0.848 1.00 54.21 H new ATOM 1135 N LYS A 76 -8.295 10.175 3.993 1.00 53.41 N ATOM 1136 CA LYS A 76 -8.065 11.225 4.980 1.00 21.11 C ATOM 1137 C LYS A 76 -7.081 10.759 6.049 1.00 13.10 C ATOM 1138 O LYS A 76 -6.677 9.597 6.070 1.00 0.31 O ATOM 1139 CB LYS A 76 -9.386 11.638 5.632 1.00 0.20 C ATOM 1140 CG LYS A 76 -10.436 12.103 4.638 1.00 1.01 C ATOM 1141 CD LYS A 76 -11.463 13.009 5.295 1.00 52.21 C ATOM 1142 CE LYS A 76 -10.958 14.440 5.401 1.00 62.03 C ATOM 1143 NZ LYS A 76 -12.076 15.423 5.438 1.00 41.23 N ATOM 0 H LYS A 76 -9.133 9.617 4.159 1.00 53.41 H new ATOM 0 HA LYS A 76 -7.636 12.086 4.467 1.00 21.11 H new ATOM 0 HB2 LYS A 76 -9.782 10.794 6.198 1.00 0.20 H new ATOM 0 HB3 LYS A 76 -9.194 12.439 6.346 1.00 0.20 H new ATOM 0 HG2 LYS A 76 -9.952 12.634 3.818 1.00 1.01 H new ATOM 0 HG3 LYS A 76 -10.937 11.237 4.205 1.00 1.01 H new ATOM 0 HD2 LYS A 76 -12.388 12.990 4.718 1.00 52.21 H new ATOM 0 HD3 LYS A 76 -11.700 12.631 6.290 1.00 52.21 H new ATOM 0 HE2 LYS A 76 -10.352 14.545 6.301 1.00 62.03 H new ATOM 0 HE3 LYS A 76 -10.310 14.660 4.553 1.00 62.03 H new ATOM 0 HZ1 LYS A 76 -11.689 16.386 5.510 1.00 41.23 H new ATOM 0 HZ2 LYS A 76 -12.640 15.341 4.568 1.00 41.23 H new ATOM 0 HZ3 LYS A 76 -12.681 15.230 6.262 1.00 41.23 H new ATOM 1153 N ASP A 77 -6.702 11.674 6.934 1.00 41.33 N ATOM 1154 CA ASP A 77 -5.767 11.357 8.009 1.00 22.42 C ATOM 1155 C ASP A 77 -6.324 10.256 8.906 1.00 44.02 C ATOM 1156 O ASP A 77 -5.572 9.537 9.563 1.00 62.11 O ATOM 1157 CB ASP A 77 -5.467 12.606 8.838 1.00 51.33 C ATOM 1158 CG ASP A 77 -6.661 13.057 9.658 1.00 62.31 C ATOM 1159 OD1 ASP A 77 -6.802 12.588 10.808 1.00 22.44 O ATOM 1160 OD2 ASP A 77 -7.452 13.879 9.150 1.00 3.21 O ATOM 0 H ASP A 77 -7.027 12.641 6.929 1.00 41.33 H new ATOM 0 HA ASP A 77 -4.841 11.000 7.559 1.00 22.42 H new ATOM 0 HB2 ASP A 77 -4.628 12.404 9.504 1.00 51.33 H new ATOM 0 HB3 ASP A 77 -5.160 13.414 8.174 1.00 51.33 H new ATOM 1164 N ASP A 78 -7.647 10.132 8.930 1.00 71.24 N ATOM 1165 CA ASP A 78 -8.305 9.120 9.747 1.00 61.41 C ATOM 1166 C ASP A 78 -8.247 7.753 9.071 1.00 54.14 C ATOM 1167 O ASP A 78 -8.153 6.723 9.738 1.00 60.11 O ATOM 1168 CB ASP A 78 -9.760 9.511 10.008 1.00 0.45 C ATOM 1169 CG ASP A 78 -9.888 10.594 11.062 1.00 3.20 C ATOM 1170 OD1 ASP A 78 -9.561 10.320 12.236 1.00 55.12 O ATOM 1171 OD2 ASP A 78 -10.315 11.714 10.713 1.00 44.11 O ATOM 0 H ASP A 78 -8.284 10.720 8.393 1.00 71.24 H new ATOM 0 HA ASP A 78 -7.777 9.058 10.699 1.00 61.41 H new ATOM 0 HB2 ASP A 78 -10.213 9.857 9.079 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -10.318 8.631 10.326 1.00 0.45 H new ATOM 1175 N ASP A 79 -8.303 7.752 7.744 1.00 14.24 N ATOM 1176 CA ASP A 79 -8.257 6.514 6.977 1.00 62.20 C ATOM 1177 C ASP A 79 -7.062 5.662 7.392 1.00 44.25 C ATOM 1178 O ASP A 79 -6.056 6.178 7.880 1.00 74.32 O ATOM 1179 CB ASP A 79 -8.186 6.817 5.480 1.00 72.43 C ATOM 1180 CG ASP A 79 -9.501 7.337 4.931 1.00 61.20 C ATOM 1181 OD1 ASP A 79 -10.143 8.164 5.612 1.00 32.01 O ATOM 1182 OD2 ASP A 79 -9.887 6.916 3.821 1.00 55.12 O ATOM 0 H ASP A 79 -8.380 8.596 7.177 1.00 14.24 H new ATOM 0 HA ASP A 79 -9.170 5.955 7.183 1.00 62.20 H new ATOM 0 HB2 ASP A 79 -7.403 7.553 5.298 1.00 72.43 H new ATOM 0 HB3 ASP A 79 -7.904 5.912 4.942 1.00 72.43 H new ATOM 1186 N LYS A 80 -7.179 4.352 7.199 1.00 1.33 N ATOM 1187 CA LYS A 80 -6.109 3.427 7.553 1.00 14.34 C ATOM 1188 C LYS A 80 -6.087 2.232 6.605 1.00 75.24 C ATOM 1189 O LYS A 80 -7.134 1.686 6.255 1.00 75.43 O ATOM 1190 CB LYS A 80 -6.281 2.945 8.995 1.00 45.33 C ATOM 1191 CG LYS A 80 -7.543 2.130 9.217 1.00 50.52 C ATOM 1192 CD LYS A 80 -7.705 1.740 10.678 1.00 22.14 C ATOM 1193 CE LYS A 80 -8.636 0.548 10.836 1.00 42.01 C ATOM 1194 NZ LYS A 80 -8.590 -0.012 12.215 1.00 15.13 N ATOM 0 H LYS A 80 -8.005 3.907 6.799 1.00 1.33 H new ATOM 0 HA LYS A 80 -5.160 3.956 7.464 1.00 14.34 H new ATOM 0 HB2 LYS A 80 -5.416 2.343 9.274 1.00 45.33 H new ATOM 0 HB3 LYS A 80 -6.295 3.809 9.659 1.00 45.33 H new ATOM 0 HG2 LYS A 80 -8.411 2.706 8.895 1.00 50.52 H new ATOM 0 HG3 LYS A 80 -7.510 1.231 8.601 1.00 50.52 H new ATOM 0 HD2 LYS A 80 -6.730 1.500 11.102 1.00 22.14 H new ATOM 0 HD3 LYS A 80 -8.098 2.587 11.241 1.00 22.14 H new ATOM 0 HE2 LYS A 80 -9.656 0.850 10.601 1.00 42.01 H new ATOM 0 HE3 LYS A 80 -8.360 -0.226 10.120 1.00 42.01 H new ATOM 0 HZ1 LYS A 80 -9.238 -0.823 12.282 1.00 15.13 H new ATOM 0 HZ2 LYS A 80 -7.622 -0.324 12.431 1.00 15.13 H new ATOM 0 HZ3 LYS A 80 -8.878 0.719 12.896 1.00 15.13 H new ATOM 1204 N ILE A 81 -4.889 1.831 6.195 1.00 43.43 N ATOM 1205 CA ILE A 81 -4.732 0.698 5.290 1.00 73.02 C ATOM 1206 C ILE A 81 -4.243 -0.538 6.036 1.00 1.44 C ATOM 1207 O ILE A 81 -3.388 -0.448 6.917 1.00 13.42 O ATOM 1208 CB ILE A 81 -3.745 1.021 4.153 1.00 25.20 C ATOM 1209 CG1 ILE A 81 -4.230 2.232 3.354 1.00 44.42 C ATOM 1210 CG2 ILE A 81 -3.573 -0.186 3.242 1.00 4.14 C ATOM 1211 CD1 ILE A 81 -3.631 3.541 3.818 1.00 23.31 C ATOM 0 H ILE A 81 -4.013 2.273 6.474 1.00 43.43 H new ATOM 0 HA ILE A 81 -5.714 0.496 4.863 1.00 73.02 H new ATOM 0 HB ILE A 81 -2.777 1.263 4.591 1.00 25.20 H new ATOM 0 HG12 ILE A 81 -3.988 2.084 2.302 1.00 44.42 H new ATOM 0 HG13 ILE A 81 -5.316 2.293 3.425 1.00 44.42 H new ATOM 0 HG21 ILE A 81 -2.873 0.058 2.443 1.00 4.14 H new ATOM 0 HG22 ILE A 81 -3.187 -1.026 3.820 1.00 4.14 H new ATOM 0 HG23 ILE A 81 -4.537 -0.456 2.810 1.00 4.14 H new ATOM 0 HD11 ILE A 81 -4.019 4.356 3.207 1.00 23.31 H new ATOM 0 HD12 ILE A 81 -3.895 3.712 4.862 1.00 23.31 H new ATOM 0 HD13 ILE A 81 -2.546 3.500 3.720 1.00 23.31 H new ATOM 1222 N ASP A 82 -4.792 -1.693 5.677 1.00 64.22 N ATOM 1223 CA ASP A 82 -4.410 -2.951 6.311 1.00 41.11 C ATOM 1224 C ASP A 82 -4.060 -4.003 5.263 1.00 51.23 C ATOM 1225 O ASP A 82 -4.705 -4.093 4.218 1.00 60.43 O ATOM 1226 CB ASP A 82 -5.542 -3.461 7.204 1.00 31.34 C ATOM 1227 CG ASP A 82 -5.878 -2.493 8.322 1.00 71.31 C ATOM 1228 OD1 ASP A 82 -6.723 -1.600 8.101 1.00 40.33 O ATOM 1229 OD2 ASP A 82 -5.296 -2.629 9.418 1.00 25.11 O ATOM 0 H ASP A 82 -5.503 -1.785 4.951 1.00 64.22 H new ATOM 0 HA ASP A 82 -3.528 -2.767 6.925 1.00 41.11 H new ATOM 0 HB2 ASP A 82 -6.431 -3.633 6.597 1.00 31.34 H new ATOM 0 HB3 ASP A 82 -5.258 -4.422 7.633 1.00 31.34 H new ATOM 1233 N LEU A 83 -3.033 -4.795 5.549 1.00 41.44 N ATOM 1234 CA LEU A 83 -2.595 -5.842 4.632 1.00 75.45 C ATOM 1235 C LEU A 83 -2.696 -7.216 5.284 1.00 23.30 C ATOM 1236 O LEU A 83 -2.079 -7.472 6.319 1.00 21.44 O ATOM 1237 CB LEU A 83 -1.155 -5.583 4.182 1.00 52.42 C ATOM 1238 CG LEU A 83 -0.693 -6.345 2.940 1.00 75.23 C ATOM 1239 CD1 LEU A 83 -0.529 -7.824 3.251 1.00 43.00 C ATOM 1240 CD2 LEU A 83 -1.674 -6.143 1.795 1.00 51.54 C ATOM 0 H LEU A 83 -2.488 -4.732 6.409 1.00 41.44 H new ATOM 0 HA LEU A 83 -3.251 -5.825 3.762 1.00 75.45 H new ATOM 0 HB2 LEU A 83 -1.041 -4.516 3.992 1.00 52.42 H new ATOM 0 HB3 LEU A 83 -0.487 -5.833 5.006 1.00 52.42 H new ATOM 0 HG LEU A 83 0.276 -5.951 2.635 1.00 75.23 H new ATOM 0 HD11 LEU A 83 -0.200 -8.350 2.355 1.00 43.00 H new ATOM 0 HD12 LEU A 83 0.213 -7.950 4.039 1.00 43.00 H new ATOM 0 HD13 LEU A 83 -1.483 -8.234 3.582 1.00 43.00 H new ATOM 0 HD21 LEU A 83 -1.329 -6.693 0.919 1.00 51.54 H new ATOM 0 HD22 LEU A 83 -2.657 -6.510 2.089 1.00 51.54 H new ATOM 0 HD23 LEU A 83 -1.739 -5.082 1.555 1.00 51.54 H new ATOM 1251 N PHE A 84 -3.479 -8.099 4.672 1.00 71.33 N ATOM 1252 CA PHE A 84 -3.660 -9.449 5.193 1.00 31.35 C ATOM 1253 C PHE A 84 -3.167 -10.490 4.191 1.00 14.13 C ATOM 1254 O PHE A 84 -3.328 -10.346 2.978 1.00 11.11 O ATOM 1255 CB PHE A 84 -5.134 -9.699 5.519 1.00 33.14 C ATOM 1256 CG PHE A 84 -5.665 -8.811 6.608 1.00 62.10 C ATOM 1257 CD1 PHE A 84 -6.072 -7.517 6.329 1.00 1.14 C ATOM 1258 CD2 PHE A 84 -5.756 -9.272 7.912 1.00 34.23 C ATOM 1259 CE1 PHE A 84 -6.562 -6.698 7.329 1.00 52.41 C ATOM 1260 CE2 PHE A 84 -6.245 -8.457 8.916 1.00 62.23 C ATOM 1261 CZ PHE A 84 -6.646 -7.168 8.625 1.00 3.14 C ATOM 0 H PHE A 84 -3.998 -7.904 3.816 1.00 71.33 H new ATOM 0 HA PHE A 84 -3.071 -9.541 6.106 1.00 31.35 H new ATOM 0 HB2 PHE A 84 -5.728 -9.550 4.617 1.00 33.14 H new ATOM 0 HB3 PHE A 84 -5.261 -10.740 5.816 1.00 33.14 H new ATOM 0 HD1 PHE A 84 -6.006 -7.143 5.318 1.00 1.14 H new ATOM 0 HD2 PHE A 84 -5.442 -10.278 8.146 1.00 34.23 H new ATOM 0 HE1 PHE A 84 -6.879 -5.692 7.097 1.00 52.41 H new ATOM 0 HE2 PHE A 84 -6.313 -8.828 9.928 1.00 62.23 H new ATOM 0 HZ PHE A 84 -7.024 -6.529 9.409 1.00 3.14 H new ATOM 1270 N PRO A 85 -2.551 -11.562 4.708 1.00 44.25 N ATOM 1271 CA PRO A 85 -2.020 -12.648 3.878 1.00 25.03 C ATOM 1272 C PRO A 85 -3.126 -13.474 3.229 1.00 2.33 C ATOM 1273 O PRO A 85 -4.288 -13.427 3.633 1.00 53.44 O ATOM 1274 CB PRO A 85 -1.229 -13.501 4.872 1.00 24.35 C ATOM 1275 CG PRO A 85 -1.862 -13.229 6.193 1.00 3.33 C ATOM 1276 CD PRO A 85 -2.324 -11.799 6.144 1.00 52.11 C ATOM 0 HA PRO A 85 -1.421 -12.272 3.048 1.00 25.03 H new ATOM 0 HB2 PRO A 85 -1.284 -14.559 4.617 1.00 24.35 H new ATOM 0 HB3 PRO A 85 -0.174 -13.229 4.875 1.00 24.35 H new ATOM 0 HG2 PRO A 85 -2.699 -13.904 6.371 1.00 3.33 H new ATOM 0 HG3 PRO A 85 -1.151 -13.382 7.005 1.00 3.33 H new ATOM 0 HD2 PRO A 85 -3.235 -11.651 6.724 1.00 52.11 H new ATOM 0 HD3 PRO A 85 -1.574 -11.120 6.549 1.00 52.11 H new ATOM 1281 N PRO A 86 -2.759 -14.250 2.198 1.00 14.23 N ATOM 1282 CA PRO A 86 -3.706 -15.102 1.472 1.00 71.23 C ATOM 1283 C PRO A 86 -4.188 -16.279 2.313 1.00 62.30 C ATOM 1284 O PRO A 86 -3.483 -16.746 3.207 1.00 23.12 O ATOM 1285 CB PRO A 86 -2.890 -15.598 0.276 1.00 20.23 C ATOM 1286 CG PRO A 86 -1.472 -15.531 0.729 1.00 63.11 C ATOM 1287 CD PRO A 86 -1.391 -14.355 1.662 1.00 14.41 C ATOM 0 HA PRO A 86 -4.611 -14.562 1.194 1.00 71.23 H new ATOM 0 HB2 PRO A 86 -3.170 -16.615 0.001 1.00 20.23 H new ATOM 0 HB3 PRO A 86 -3.055 -14.973 -0.602 1.00 20.23 H new ATOM 0 HG2 PRO A 86 -1.180 -16.451 1.235 1.00 63.11 H new ATOM 0 HG3 PRO A 86 -0.797 -15.405 -0.118 1.00 63.11 H new ATOM 0 HD2 PRO A 86 -0.661 -14.520 2.454 1.00 14.41 H new ATOM 0 HD3 PRO A 86 -1.094 -13.446 1.138 1.00 14.41 H new ATOM 1292 N VAL A 87 -5.395 -16.754 2.019 1.00 64.10 N ATOM 1293 CA VAL A 87 -5.971 -17.878 2.747 1.00 53.11 C ATOM 1294 C VAL A 87 -5.093 -19.119 2.627 1.00 34.14 C ATOM 1295 O VAL A 87 -5.104 -19.985 3.500 1.00 44.24 O ATOM 1296 CB VAL A 87 -7.385 -18.212 2.236 1.00 10.31 C ATOM 1297 CG1 VAL A 87 -8.382 -17.158 2.695 1.00 33.41 C ATOM 1298 CG2 VAL A 87 -7.388 -18.336 0.720 1.00 20.23 C ATOM 0 H VAL A 87 -5.992 -16.378 1.282 1.00 64.10 H new ATOM 0 HA VAL A 87 -6.032 -17.579 3.794 1.00 53.11 H new ATOM 0 HB VAL A 87 -7.687 -19.171 2.657 1.00 10.31 H new ATOM 0 HG11 VAL A 87 -9.375 -17.411 2.324 1.00 33.41 H new ATOM 0 HG12 VAL A 87 -8.399 -17.123 3.784 1.00 33.41 H new ATOM 0 HG13 VAL A 87 -8.087 -16.184 2.306 1.00 33.41 H new ATOM 0 HG21 VAL A 87 -8.395 -18.572 0.376 1.00 20.23 H new ATOM 0 HG22 VAL A 87 -7.065 -17.394 0.277 1.00 20.23 H new ATOM 0 HG23 VAL A 87 -6.706 -19.131 0.419 1.00 20.23 H new ATOM 1308 N ALA A 88 -4.334 -19.196 1.539 1.00 43.30 N ATOM 1309 CA ALA A 88 -3.448 -20.330 1.306 1.00 23.23 C ATOM 1310 C ALA A 88 -2.074 -20.089 1.923 1.00 2.04 C ATOM 1311 O ALA A 88 -1.618 -20.860 2.765 1.00 45.43 O ATOM 1312 CB ALA A 88 -3.319 -20.600 -0.186 1.00 53.15 C ATOM 0 H ALA A 88 -4.315 -18.487 0.806 1.00 43.30 H new ATOM 0 HA ALA A 88 -3.884 -21.206 1.787 1.00 23.23 H new ATOM 0 HB1 ALA A 88 -2.655 -21.449 -0.346 1.00 53.15 H new ATOM 0 HB2 ALA A 88 -4.301 -20.825 -0.601 1.00 53.15 H new ATOM 0 HB3 ALA A 88 -2.908 -19.720 -0.681 1.00 53.15 H new