USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 530 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 35 THR OG1 : rot 180:sc= -0.327 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 80:sc= -1.28 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 149:sc= -0.453 (180deg=-2.71!) USER MOD Set 3.1: A 28 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= 0.177 USER MOD Set 3.3: A 52 THR OG1 : rot -179:sc= -0.238 USER MOD Set 3.4: A 64 THR OG1 : rot -99:sc= 0.193 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.51 (180deg=0.41) USER MOD Single : A 5 HIS : no HD1:sc= -4.19 K(o=-4.2,f=-7!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.5!) USER MOD Single : A 13 ASN : amide:sc= -4.89! C(o=-4.9!,f=-8.7!) USER MOD Single : A 16 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -140:sc= -1.62 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.481 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -59:sc= 0.546 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0997 X(o=-0.1,f=-0.0052) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.04 K(o=-1,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.790 -5.940 -1.658 1.00 63.22 N ATOM 2 CA MET A 1 -1.821 -4.870 -1.451 1.00 62.13 C ATOM 3 C MET A 1 -0.492 -5.429 -0.952 1.00 12.31 C ATOM 4 O MET A 1 -0.449 -6.169 0.032 1.00 42.22 O ATOM 5 CB MET A 1 -2.365 -3.847 -0.453 1.00 2.43 C ATOM 6 CG MET A 1 -3.178 -2.738 -1.101 1.00 11.01 C ATOM 7 SD MET A 1 -4.751 -3.324 -1.758 1.00 74.23 S ATOM 8 CE MET A 1 -4.580 -2.887 -3.487 1.00 12.23 C ATOM 0 H1 MET A 1 -3.741 -5.532 -1.765 1.00 63.22 H new ATOM 0 H2 MET A 1 -2.543 -6.471 -2.517 1.00 63.22 H new ATOM 0 H3 MET A 1 -2.779 -6.582 -0.840 1.00 63.22 H new ATOM 0 HA MET A 1 -1.651 -4.377 -2.408 1.00 62.13 H new ATOM 0 HB2 MET A 1 -2.987 -4.362 0.280 1.00 2.43 H new ATOM 0 HB3 MET A 1 -1.531 -3.404 0.092 1.00 2.43 H new ATOM 0 HG2 MET A 1 -3.365 -1.953 -0.368 1.00 11.01 H new ATOM 0 HG3 MET A 1 -2.597 -2.290 -1.907 1.00 11.01 H new ATOM 0 HE1 MET A 1 -5.477 -3.187 -4.028 1.00 12.23 H new ATOM 0 HE2 MET A 1 -4.444 -1.809 -3.578 1.00 12.23 H new ATOM 0 HE3 MET A 1 -3.714 -3.399 -3.908 1.00 12.23 H new ATOM 18 N LEU A 2 0.589 -5.071 -1.635 1.00 42.52 N ATOM 19 CA LEU A 2 1.920 -5.536 -1.261 1.00 30.52 C ATOM 20 C LEU A 2 2.987 -4.530 -1.679 1.00 60.14 C ATOM 21 O LEU A 2 2.824 -3.812 -2.666 1.00 64.11 O ATOM 22 CB LEU A 2 2.205 -6.896 -1.902 1.00 41.31 C ATOM 23 CG LEU A 2 3.553 -7.531 -1.558 1.00 50.43 C ATOM 24 CD1 LEU A 2 3.567 -8.003 -0.113 1.00 21.50 C ATOM 25 CD2 LEU A 2 3.855 -8.685 -2.502 1.00 72.42 C ATOM 0 H LEU A 2 0.570 -4.460 -2.451 1.00 42.52 H new ATOM 0 HA LEU A 2 1.950 -5.639 -0.176 1.00 30.52 H new ATOM 0 HB2 LEU A 2 1.415 -7.587 -1.607 1.00 41.31 H new ATOM 0 HB3 LEU A 2 2.144 -6.785 -2.985 1.00 41.31 H new ATOM 0 HG LEU A 2 4.330 -6.777 -1.679 1.00 50.43 H new ATOM 0 HD11 LEU A 2 4.534 -8.452 0.114 1.00 21.50 H new ATOM 0 HD12 LEU A 2 3.397 -7.154 0.549 1.00 21.50 H new ATOM 0 HD13 LEU A 2 2.780 -8.742 0.036 1.00 21.50 H new ATOM 0 HD21 LEU A 2 4.818 -9.125 -2.242 1.00 72.42 H new ATOM 0 HD22 LEU A 2 3.075 -9.441 -2.414 1.00 72.42 H new ATOM 0 HD23 LEU A 2 3.889 -8.317 -3.527 1.00 72.42 H new ATOM 37 N ASP A 3 4.079 -4.485 -0.924 1.00 71.10 N ATOM 38 CA ASP A 3 5.175 -3.569 -1.218 1.00 71.13 C ATOM 39 C ASP A 3 6.477 -4.333 -1.440 1.00 54.12 C ATOM 40 O ASP A 3 6.852 -5.188 -0.637 1.00 41.33 O ATOM 41 CB ASP A 3 5.347 -2.563 -0.079 1.00 21.41 C ATOM 42 CG ASP A 3 4.023 -2.146 0.530 1.00 31.00 C ATOM 43 OD1 ASP A 3 3.418 -2.966 1.252 1.00 53.34 O ATOM 44 OD2 ASP A 3 3.591 -1.000 0.284 1.00 4.02 O ATOM 0 H ASP A 3 4.229 -5.072 -0.104 1.00 71.10 H new ATOM 0 HA ASP A 3 4.930 -3.031 -2.134 1.00 71.13 H new ATOM 0 HB2 ASP A 3 5.978 -2.999 0.695 1.00 21.41 H new ATOM 0 HB3 ASP A 3 5.866 -1.680 -0.453 1.00 21.41 H new ATOM 49 N CYS A 4 7.161 -4.020 -2.535 1.00 51.14 N ATOM 50 CA CYS A 4 8.420 -4.677 -2.865 1.00 51.10 C ATOM 51 C CYS A 4 9.421 -3.678 -3.438 1.00 1.01 C ATOM 52 O CYS A 4 9.051 -2.578 -3.850 1.00 72.35 O ATOM 53 CB CYS A 4 8.182 -5.809 -3.867 1.00 12.52 C ATOM 54 SG CYS A 4 6.764 -6.877 -3.459 1.00 15.42 S ATOM 0 H CYS A 4 6.864 -3.315 -3.210 1.00 51.14 H new ATOM 0 HA CYS A 4 8.834 -5.094 -1.947 1.00 51.10 H new ATOM 0 HB2 CYS A 4 8.026 -5.378 -4.856 1.00 12.52 H new ATOM 0 HB3 CYS A 4 9.081 -6.423 -3.925 1.00 12.52 H new ATOM 59 N HIS A 5 10.692 -4.069 -3.460 1.00 54.43 N ATOM 60 CA HIS A 5 11.747 -3.208 -3.983 1.00 72.14 C ATOM 61 C HIS A 5 11.837 -3.321 -5.502 1.00 70.12 C ATOM 62 O HIS A 5 12.350 -4.307 -6.032 1.00 41.44 O ATOM 63 CB HIS A 5 13.091 -3.573 -3.353 1.00 11.15 C ATOM 64 CG HIS A 5 13.278 -3.014 -1.976 1.00 12.33 C ATOM 65 ND1 HIS A 5 13.641 -1.705 -1.738 1.00 13.21 N ATOM 66 CD2 HIS A 5 13.148 -3.593 -0.760 1.00 22.55 C ATOM 67 CE1 HIS A 5 13.728 -1.504 -0.435 1.00 60.21 C ATOM 68 NE2 HIS A 5 13.433 -2.635 0.181 1.00 5.42 N ATOM 0 H HIS A 5 11.016 -4.975 -3.122 1.00 54.43 H new ATOM 0 HA HIS A 5 11.502 -2.177 -3.726 1.00 72.14 H new ATOM 0 HB2 HIS A 5 13.180 -4.659 -3.311 1.00 11.15 H new ATOM 0 HB3 HIS A 5 13.894 -3.212 -3.995 1.00 11.15 H new ATOM 0 HD2 HIS A 5 12.871 -4.619 -0.566 1.00 22.55 H new ATOM 0 HE1 HIS A 5 13.995 -0.574 0.045 1.00 60.21 H new ATOM 0 HE2 HIS A 5 13.419 -2.774 1.191 1.00 5.42 H new ATOM 76 N VAL A 6 11.334 -2.306 -6.197 1.00 41.33 N ATOM 77 CA VAL A 6 11.358 -2.291 -7.655 1.00 41.20 C ATOM 78 C VAL A 6 12.475 -1.394 -8.177 1.00 53.31 C ATOM 79 O VAL A 6 12.419 -0.171 -8.042 1.00 34.14 O ATOM 80 CB VAL A 6 10.014 -1.809 -8.234 1.00 5.14 C ATOM 81 CG1 VAL A 6 10.080 -1.741 -9.752 1.00 22.12 C ATOM 82 CG2 VAL A 6 8.883 -2.719 -7.781 1.00 32.11 C ATOM 0 H VAL A 6 10.905 -1.483 -5.774 1.00 41.33 H new ATOM 0 HA VAL A 6 11.538 -3.316 -7.979 1.00 41.20 H new ATOM 0 HB VAL A 6 9.815 -0.805 -7.858 1.00 5.14 H new ATOM 0 HG11 VAL A 6 9.122 -1.399 -10.143 1.00 22.12 H new ATOM 0 HG12 VAL A 6 10.864 -1.045 -10.051 1.00 22.12 H new ATOM 0 HG13 VAL A 6 10.302 -2.731 -10.151 1.00 22.12 H new ATOM 0 HG21 VAL A 6 7.941 -2.364 -8.199 1.00 32.11 H new ATOM 0 HG22 VAL A 6 9.073 -3.735 -8.126 1.00 32.11 H new ATOM 0 HG23 VAL A 6 8.823 -2.711 -6.693 1.00 32.11 H new ATOM 92 N CYS A 7 13.489 -2.009 -8.775 1.00 44.34 N ATOM 93 CA CYS A 7 14.621 -1.267 -9.319 1.00 13.01 C ATOM 94 C CYS A 7 15.609 -2.207 -10.004 1.00 12.23 C ATOM 95 O CYS A 7 15.581 -3.418 -9.787 1.00 43.23 O ATOM 96 CB CYS A 7 15.327 -0.488 -8.208 1.00 43.51 C ATOM 97 SG CYS A 7 15.884 -1.520 -6.814 1.00 12.52 S ATOM 0 H CYS A 7 13.551 -3.020 -8.896 1.00 44.34 H new ATOM 0 HA CYS A 7 14.241 -0.565 -10.061 1.00 13.01 H new ATOM 0 HB2 CYS A 7 16.189 0.027 -8.632 1.00 43.51 H new ATOM 0 HB3 CYS A 7 14.651 0.279 -7.831 1.00 43.51 H new ATOM 102 N ALA A 8 16.481 -1.639 -10.831 1.00 32.14 N ATOM 103 CA ALA A 8 17.479 -2.425 -11.545 1.00 51.13 C ATOM 104 C ALA A 8 18.850 -1.761 -11.480 1.00 22.02 C ATOM 105 O ALA A 8 18.991 -0.575 -11.778 1.00 1.33 O ATOM 106 CB ALA A 8 17.056 -2.625 -12.993 1.00 53.20 C ATOM 0 H ALA A 8 16.516 -0.638 -11.023 1.00 32.14 H new ATOM 0 HA ALA A 8 17.552 -3.399 -11.061 1.00 51.13 H new ATOM 0 HB1 ALA A 8 17.811 -3.214 -13.515 1.00 53.20 H new ATOM 0 HB2 ALA A 8 16.101 -3.150 -13.024 1.00 53.20 H new ATOM 0 HB3 ALA A 8 16.953 -1.655 -13.479 1.00 53.20 H new ATOM 112 N TYR A 9 19.858 -2.533 -11.088 1.00 13.22 N ATOM 113 CA TYR A 9 21.218 -2.018 -10.980 1.00 73.22 C ATOM 114 C TYR A 9 22.237 -3.090 -11.353 1.00 71.34 C ATOM 115 O TYR A 9 22.019 -4.278 -11.119 1.00 22.05 O ATOM 116 CB TYR A 9 21.485 -1.517 -9.560 1.00 31.11 C ATOM 117 CG TYR A 9 22.826 -0.837 -9.400 1.00 53.10 C ATOM 118 CD1 TYR A 9 23.088 0.378 -10.021 1.00 5.34 C ATOM 119 CD2 TYR A 9 23.830 -1.409 -8.630 1.00 20.55 C ATOM 120 CE1 TYR A 9 24.312 1.003 -9.878 1.00 43.31 C ATOM 121 CE2 TYR A 9 25.056 -0.791 -8.480 1.00 42.02 C ATOM 122 CZ TYR A 9 25.293 0.415 -9.107 1.00 34.05 C ATOM 123 OH TYR A 9 26.513 1.034 -8.961 1.00 62.54 O ATOM 0 H TYR A 9 19.759 -3.517 -10.840 1.00 13.22 H new ATOM 0 HA TYR A 9 21.321 -1.186 -11.677 1.00 73.22 H new ATOM 0 HB2 TYR A 9 20.697 -0.819 -9.276 1.00 31.11 H new ATOM 0 HB3 TYR A 9 21.429 -2.359 -8.870 1.00 31.11 H new ATOM 0 HD1 TYR A 9 22.322 0.842 -10.625 1.00 5.34 H new ATOM 0 HD2 TYR A 9 23.649 -2.354 -8.140 1.00 20.55 H new ATOM 0 HE1 TYR A 9 24.500 1.947 -10.367 1.00 43.31 H new ATOM 0 HE2 TYR A 9 25.825 -1.249 -7.875 1.00 42.02 H new ATOM 0 HH TYR A 9 27.090 0.489 -8.386 1.00 62.54 H new ATOM 133 N ASN A 10 23.351 -2.660 -11.936 1.00 64.52 N ATOM 134 CA ASN A 10 24.406 -3.582 -12.343 1.00 31.44 C ATOM 135 C ASN A 10 25.483 -3.685 -11.267 1.00 42.22 C ATOM 136 O ASN A 10 26.628 -3.289 -11.481 1.00 22.00 O ATOM 137 CB ASN A 10 25.030 -3.126 -13.663 1.00 74.43 C ATOM 138 CG ASN A 10 24.042 -2.384 -14.543 1.00 63.00 C ATOM 139 OD1 ASN A 10 22.870 -2.751 -14.627 1.00 23.32 O ATOM 140 ND2 ASN A 10 24.513 -1.333 -15.205 1.00 24.35 N ATOM 0 H ASN A 10 23.547 -1.679 -12.137 1.00 64.52 H new ATOM 0 HA ASN A 10 23.960 -4.567 -12.481 1.00 31.44 H new ATOM 0 HB2 ASN A 10 25.883 -2.480 -13.455 1.00 74.43 H new ATOM 0 HB3 ASN A 10 25.411 -3.994 -14.201 1.00 74.43 H new ATOM 0 HD21 ASN A 10 23.896 -0.795 -15.813 1.00 24.35 H new ATOM 0 HD22 ASN A 10 25.492 -1.064 -15.106 1.00 24.35 H new ATOM 147 N GLY A 11 25.107 -4.220 -10.109 1.00 42.04 N ATOM 148 CA GLY A 11 26.052 -4.366 -9.018 1.00 3.52 C ATOM 149 C GLY A 11 25.571 -5.339 -7.960 1.00 40.21 C ATOM 150 O GLY A 11 25.012 -6.388 -8.281 1.00 0.15 O ATOM 0 H GLY A 11 24.165 -4.555 -9.907 1.00 42.04 H new ATOM 0 HA2 GLY A 11 27.009 -4.708 -9.413 1.00 3.52 H new ATOM 0 HA3 GLY A 11 26.226 -3.393 -8.560 1.00 3.52 H new ATOM 154 N ASP A 12 25.789 -4.992 -6.696 1.00 64.25 N ATOM 155 CA ASP A 12 25.374 -5.843 -5.588 1.00 23.55 C ATOM 156 C ASP A 12 23.857 -5.997 -5.559 1.00 12.24 C ATOM 157 O ASP A 12 23.321 -7.036 -5.941 1.00 30.14 O ATOM 158 CB ASP A 12 25.866 -5.264 -4.260 1.00 63.22 C ATOM 159 CG ASP A 12 25.143 -5.856 -3.067 1.00 14.04 C ATOM 160 OD1 ASP A 12 24.914 -7.084 -3.060 1.00 3.03 O ATOM 161 OD2 ASP A 12 24.805 -5.091 -2.139 1.00 63.30 O ATOM 0 H ASP A 12 26.251 -4.127 -6.414 1.00 64.25 H new ATOM 0 HA ASP A 12 25.818 -6.828 -5.733 1.00 23.55 H new ATOM 0 HB2 ASP A 12 26.936 -5.448 -4.161 1.00 63.22 H new ATOM 0 HB3 ASP A 12 25.728 -4.183 -4.265 1.00 63.22 H new ATOM 166 N ASN A 13 23.170 -4.954 -5.102 1.00 24.54 N ATOM 167 CA ASN A 13 21.714 -4.974 -5.021 1.00 64.10 C ATOM 168 C ASN A 13 21.162 -3.567 -4.814 1.00 60.03 C ATOM 169 O ASN A 13 21.564 -2.860 -3.890 1.00 2.20 O ATOM 170 CB ASN A 13 21.258 -5.886 -3.880 1.00 42.12 C ATOM 171 CG ASN A 13 20.581 -7.146 -4.383 1.00 21.31 C ATOM 172 OD1 ASN A 13 19.738 -7.096 -5.278 1.00 75.21 O ATOM 173 ND2 ASN A 13 20.949 -8.285 -3.807 1.00 74.01 N ATOM 0 H ASN A 13 23.598 -4.085 -4.782 1.00 24.54 H new ATOM 0 HA ASN A 13 21.328 -5.362 -5.963 1.00 64.10 H new ATOM 0 HB2 ASN A 13 22.119 -6.158 -3.270 1.00 42.12 H new ATOM 0 HB3 ASN A 13 20.570 -5.340 -3.235 1.00 42.12 H new ATOM 0 HD21 ASN A 13 20.528 -9.166 -4.103 1.00 74.01 H new ATOM 0 HD22 ASN A 13 21.652 -8.279 -3.068 1.00 74.01 H new ATOM 180 N CYS A 14 20.237 -3.167 -5.681 1.00 24.12 N ATOM 181 CA CYS A 14 19.629 -1.845 -5.595 1.00 34.34 C ATOM 182 C CYS A 14 18.586 -1.798 -4.481 1.00 60.13 C ATOM 183 O CYS A 14 18.265 -2.819 -3.873 1.00 30.20 O ATOM 184 CB CYS A 14 18.982 -1.470 -6.930 1.00 24.42 C ATOM 185 SG CYS A 14 17.537 -2.488 -7.368 1.00 33.51 S ATOM 0 H CYS A 14 19.892 -3.740 -6.451 1.00 24.12 H new ATOM 0 HA CYS A 14 20.415 -1.125 -5.365 1.00 34.34 H new ATOM 0 HB2 CYS A 14 18.678 -0.424 -6.893 1.00 24.42 H new ATOM 0 HB3 CYS A 14 19.728 -1.558 -7.720 1.00 24.42 H new ATOM 190 N PHE A 15 18.061 -0.606 -4.220 1.00 53.34 N ATOM 191 CA PHE A 15 17.055 -0.424 -3.180 1.00 72.43 C ATOM 192 C PHE A 15 16.035 0.635 -3.588 1.00 45.22 C ATOM 193 O PHE A 15 16.375 1.805 -3.758 1.00 10.45 O ATOM 194 CB PHE A 15 17.721 -0.027 -1.861 1.00 54.22 C ATOM 195 CG PHE A 15 18.377 -1.176 -1.151 1.00 12.03 C ATOM 196 CD1 PHE A 15 17.621 -2.079 -0.421 1.00 72.43 C ATOM 197 CD2 PHE A 15 19.750 -1.353 -1.213 1.00 34.13 C ATOM 198 CE1 PHE A 15 18.222 -3.137 0.234 1.00 23.10 C ATOM 199 CE2 PHE A 15 20.357 -2.409 -0.560 1.00 33.33 C ATOM 200 CZ PHE A 15 19.592 -3.303 0.164 1.00 72.03 C ATOM 0 H PHE A 15 18.315 0.249 -4.714 1.00 53.34 H new ATOM 0 HA PHE A 15 16.533 -1.371 -3.045 1.00 72.43 H new ATOM 0 HB2 PHE A 15 18.468 0.742 -2.057 1.00 54.22 H new ATOM 0 HB3 PHE A 15 16.972 0.416 -1.204 1.00 54.22 H new ATOM 0 HD1 PHE A 15 16.550 -1.955 -0.363 1.00 72.43 H new ATOM 0 HD2 PHE A 15 20.353 -0.658 -1.778 1.00 34.13 H new ATOM 0 HE1 PHE A 15 17.621 -3.834 0.800 1.00 23.10 H new ATOM 0 HE2 PHE A 15 21.428 -2.535 -0.616 1.00 33.33 H new ATOM 0 HZ PHE A 15 20.064 -4.130 0.674 1.00 72.03 H new ATOM 210 N ASN A 16 14.784 0.215 -3.745 1.00 23.14 N ATOM 211 CA ASN A 16 13.715 1.127 -4.134 1.00 32.22 C ATOM 212 C ASN A 16 12.347 0.519 -3.837 1.00 1.43 C ATOM 213 O ASN A 16 11.732 -0.130 -4.682 1.00 72.34 O ATOM 214 CB ASN A 16 13.822 1.466 -5.622 1.00 1.42 C ATOM 215 CG ASN A 16 12.932 2.630 -6.015 1.00 63.30 C ATOM 216 OD1 ASN A 16 12.135 3.114 -5.212 1.00 55.43 O ATOM 217 ND2 ASN A 16 13.065 3.083 -7.256 1.00 45.20 N ATOM 0 H ASN A 16 14.486 -0.751 -3.609 1.00 23.14 H new ATOM 0 HA ASN A 16 13.821 2.042 -3.551 1.00 32.22 H new ATOM 0 HB2 ASN A 16 14.857 1.706 -5.864 1.00 1.42 H new ATOM 0 HB3 ASN A 16 13.552 0.590 -6.212 1.00 1.42 H new ATOM 0 HD21 ASN A 16 12.493 3.864 -7.578 1.00 45.20 H new ATOM 0 HD22 ASN A 16 13.739 2.650 -7.887 1.00 45.20 H new ATOM 224 N PRO A 17 11.858 0.735 -2.606 1.00 44.34 N ATOM 225 CA PRO A 17 10.558 0.219 -2.169 1.00 60.13 C ATOM 226 C PRO A 17 9.394 0.920 -2.861 1.00 73.51 C ATOM 227 O PRO A 17 9.225 2.132 -2.737 1.00 15.04 O ATOM 228 CB PRO A 17 10.545 0.516 -0.668 1.00 30.03 C ATOM 229 CG PRO A 17 11.470 1.672 -0.502 1.00 62.22 C ATOM 230 CD PRO A 17 12.538 1.501 -1.548 1.00 35.25 C ATOM 0 HA PRO A 17 10.437 -0.837 -2.409 1.00 60.13 H new ATOM 0 HB2 PRO A 17 9.541 0.760 -0.321 1.00 30.03 H new ATOM 0 HB3 PRO A 17 10.881 -0.346 -0.091 1.00 30.03 H new ATOM 0 HG2 PRO A 17 10.942 2.616 -0.634 1.00 62.22 H new ATOM 0 HG3 PRO A 17 11.902 1.686 0.499 1.00 62.22 H new ATOM 0 HD2 PRO A 17 12.898 2.462 -1.916 1.00 35.25 H new ATOM 0 HD3 PRO A 17 13.403 0.965 -1.156 1.00 35.25 H new ATOM 238 N MET A 18 8.594 0.148 -3.590 1.00 14.12 N ATOM 239 CA MET A 18 7.444 0.696 -4.300 1.00 73.10 C ATOM 240 C MET A 18 6.239 -0.233 -4.182 1.00 42.43 C ATOM 241 O MET A 18 6.358 -1.444 -4.366 1.00 34.23 O ATOM 242 CB MET A 18 7.787 0.920 -5.774 1.00 1.41 C ATOM 243 CG MET A 18 6.568 1.130 -6.657 1.00 33.50 C ATOM 244 SD MET A 18 5.602 2.575 -6.177 1.00 30.50 S ATOM 245 CE MET A 18 5.187 3.253 -7.782 1.00 33.41 C ATOM 0 H MET A 18 8.721 -0.858 -3.704 1.00 14.12 H new ATOM 0 HA MET A 18 7.189 1.653 -3.844 1.00 73.10 H new ATOM 0 HB2 MET A 18 8.440 1.788 -5.858 1.00 1.41 H new ATOM 0 HB3 MET A 18 8.349 0.061 -6.142 1.00 1.41 H new ATOM 0 HG2 MET A 18 6.889 1.240 -7.693 1.00 33.50 H new ATOM 0 HG3 MET A 18 5.935 0.244 -6.612 1.00 33.50 H new ATOM 0 HE1 MET A 18 4.588 4.154 -7.652 1.00 33.41 H new ATOM 0 HE2 MET A 18 6.102 3.500 -8.320 1.00 33.41 H new ATOM 0 HE3 MET A 18 4.618 2.518 -8.351 1.00 33.41 H new ATOM 255 N ARG A 19 5.081 0.343 -3.875 1.00 45.22 N ATOM 256 CA ARG A 19 3.856 -0.434 -3.732 1.00 2.44 C ATOM 257 C ARG A 19 3.315 -0.853 -5.095 1.00 64.05 C ATOM 258 O ARG A 19 3.233 -0.042 -6.019 1.00 31.33 O ATOM 259 CB ARG A 19 2.799 0.376 -2.979 1.00 51.30 C ATOM 260 CG ARG A 19 1.438 -0.298 -2.927 1.00 72.31 C ATOM 261 CD ARG A 19 1.328 -1.240 -1.738 1.00 14.31 C ATOM 262 NE ARG A 19 0.784 -0.571 -0.559 1.00 5.32 N ATOM 263 CZ ARG A 19 0.508 -1.197 0.579 1.00 34.24 C ATOM 264 NH1 ARG A 19 0.722 -2.501 0.692 1.00 43.24 N ATOM 265 NH2 ARG A 19 0.015 -0.519 1.608 1.00 24.55 N ATOM 0 H ARG A 19 4.966 1.345 -3.721 1.00 45.22 H new ATOM 0 HA ARG A 19 4.090 -1.333 -3.162 1.00 2.44 H new ATOM 0 HB2 ARG A 19 3.146 0.553 -1.961 1.00 51.30 H new ATOM 0 HB3 ARG A 19 2.694 1.351 -3.454 1.00 51.30 H new ATOM 0 HG2 ARG A 19 0.657 0.460 -2.865 1.00 72.31 H new ATOM 0 HG3 ARG A 19 1.270 -0.854 -3.850 1.00 72.31 H new ATOM 0 HD2 ARG A 19 0.691 -2.084 -2.002 1.00 14.31 H new ATOM 0 HD3 ARG A 19 2.313 -1.644 -1.503 1.00 14.31 H new ATOM 0 HE ARG A 19 0.606 0.432 -0.613 1.00 5.32 H new ATOM 0 HH11 ARG A 19 1.100 -3.026 -0.097 1.00 43.24 H new ATOM 0 HH12 ARG A 19 0.509 -2.979 1.568 1.00 43.24 H new ATOM 0 HH21 ARG A 19 -0.152 0.484 1.525 1.00 24.55 H new ATOM 0 HH22 ARG A 19 -0.197 -1.001 2.482 1.00 24.55 H new ATOM 279 N CYS A 20 2.949 -2.125 -5.215 1.00 53.42 N ATOM 280 CA CYS A 20 2.417 -2.653 -6.465 1.00 71.15 C ATOM 281 C CYS A 20 0.966 -2.225 -6.663 1.00 74.13 C ATOM 282 O CYS A 20 0.257 -1.888 -5.715 1.00 11.02 O ATOM 283 CB CYS A 20 2.517 -4.180 -6.482 1.00 14.25 C ATOM 284 SG CYS A 20 4.034 -4.834 -5.715 1.00 44.12 S ATOM 0 H CYS A 20 3.011 -2.809 -4.461 1.00 53.42 H new ATOM 0 HA CYS A 20 3.012 -2.248 -7.284 1.00 71.15 H new ATOM 0 HB2 CYS A 20 1.653 -4.596 -5.964 1.00 14.25 H new ATOM 0 HB3 CYS A 20 2.467 -4.525 -7.515 1.00 14.25 H new ATOM 289 N PRO A 21 0.512 -2.239 -7.925 1.00 53.34 N ATOM 290 CA PRO A 21 -0.859 -1.856 -8.278 1.00 2.21 C ATOM 291 C PRO A 21 -1.887 -2.872 -7.793 1.00 54.23 C ATOM 292 O PRO A 21 -1.562 -3.785 -7.035 1.00 52.21 O ATOM 293 CB PRO A 21 -0.832 -1.810 -9.808 1.00 21.13 C ATOM 294 CG PRO A 21 0.270 -2.735 -10.195 1.00 42.40 C ATOM 295 CD PRO A 21 1.301 -2.629 -9.105 1.00 61.44 C ATOM 0 HA PRO A 21 -1.151 -0.913 -7.815 1.00 2.21 H new ATOM 0 HB2 PRO A 21 -1.784 -2.130 -10.231 1.00 21.13 H new ATOM 0 HB3 PRO A 21 -0.646 -0.799 -10.171 1.00 21.13 H new ATOM 0 HG2 PRO A 21 -0.094 -3.758 -10.290 1.00 42.40 H new ATOM 0 HG3 PRO A 21 0.693 -2.456 -11.160 1.00 42.40 H new ATOM 0 HD2 PRO A 21 1.818 -3.576 -8.948 1.00 61.44 H new ATOM 0 HD3 PRO A 21 2.062 -1.886 -9.343 1.00 61.44 H new ATOM 303 N ALA A 22 -3.129 -2.707 -8.236 1.00 54.15 N ATOM 304 CA ALA A 22 -4.205 -3.611 -7.850 1.00 21.44 C ATOM 305 C ALA A 22 -4.280 -4.809 -8.791 1.00 12.04 C ATOM 306 O ALA A 22 -5.366 -5.290 -9.112 1.00 53.03 O ATOM 307 CB ALA A 22 -5.534 -2.872 -7.826 1.00 52.55 C ATOM 0 H ALA A 22 -3.415 -1.955 -8.863 1.00 54.15 H new ATOM 0 HA ALA A 22 -3.991 -3.982 -6.848 1.00 21.44 H new ATOM 0 HB1 ALA A 22 -6.328 -3.560 -7.536 1.00 52.55 H new ATOM 0 HB2 ALA A 22 -5.483 -2.054 -7.107 1.00 52.55 H new ATOM 0 HB3 ALA A 22 -5.745 -2.471 -8.817 1.00 52.55 H new ATOM 313 N MET A 23 -3.119 -5.285 -9.229 1.00 54.01 N ATOM 314 CA MET A 23 -3.055 -6.427 -10.133 1.00 60.25 C ATOM 315 C MET A 23 -1.891 -7.343 -9.770 1.00 64.22 C ATOM 316 O MET A 23 -1.937 -8.549 -10.014 1.00 31.14 O ATOM 317 CB MET A 23 -2.913 -5.952 -11.581 1.00 2.24 C ATOM 318 CG MET A 23 -1.653 -5.139 -11.832 1.00 52.13 C ATOM 319 SD MET A 23 -1.254 -5.002 -13.585 1.00 45.11 S ATOM 320 CE MET A 23 -1.365 -3.230 -13.820 1.00 50.24 C ATOM 0 H MET A 23 -2.211 -4.898 -8.973 1.00 54.01 H new ATOM 0 HA MET A 23 -3.983 -6.990 -10.032 1.00 60.25 H new ATOM 0 HB2 MET A 23 -2.914 -6.819 -12.241 1.00 2.24 H new ATOM 0 HB3 MET A 23 -3.783 -5.350 -11.844 1.00 2.24 H new ATOM 0 HG2 MET A 23 -1.780 -4.141 -11.413 1.00 52.13 H new ATOM 0 HG3 MET A 23 -0.816 -5.601 -11.308 1.00 52.13 H new ATOM 0 HE1 MET A 23 -1.144 -2.986 -14.859 1.00 50.24 H new ATOM 0 HE2 MET A 23 -2.372 -2.893 -13.575 1.00 50.24 H new ATOM 0 HE3 MET A 23 -0.647 -2.731 -13.169 1.00 50.24 H new ATOM 330 N VAL A 24 -0.847 -6.763 -9.187 1.00 4.03 N ATOM 331 CA VAL A 24 0.330 -7.527 -8.789 1.00 74.52 C ATOM 332 C VAL A 24 0.239 -7.956 -7.329 1.00 74.31 C ATOM 333 O VAL A 24 -0.240 -7.205 -6.480 1.00 21.53 O ATOM 334 CB VAL A 24 1.622 -6.716 -8.995 1.00 3.21 C ATOM 335 CG1 VAL A 24 2.763 -7.314 -8.185 1.00 51.33 C ATOM 336 CG2 VAL A 24 1.982 -6.652 -10.472 1.00 32.43 C ATOM 0 H VAL A 24 -0.792 -5.766 -8.980 1.00 4.03 H new ATOM 0 HA VAL A 24 0.361 -8.413 -9.423 1.00 74.52 H new ATOM 0 HB VAL A 24 1.452 -5.699 -8.642 1.00 3.21 H new ATOM 0 HG11 VAL A 24 3.668 -6.727 -8.343 1.00 51.33 H new ATOM 0 HG12 VAL A 24 2.503 -7.302 -7.126 1.00 51.33 H new ATOM 0 HG13 VAL A 24 2.936 -8.342 -8.504 1.00 51.33 H new ATOM 0 HG21 VAL A 24 2.898 -6.075 -10.599 1.00 32.43 H new ATOM 0 HG22 VAL A 24 2.134 -7.662 -10.854 1.00 32.43 H new ATOM 0 HG23 VAL A 24 1.173 -6.174 -11.023 1.00 32.43 H new ATOM 346 N ALA A 25 0.702 -9.169 -7.044 1.00 71.03 N ATOM 347 CA ALA A 25 0.675 -9.697 -5.686 1.00 63.42 C ATOM 348 C ALA A 25 1.893 -10.573 -5.414 1.00 65.50 C ATOM 349 O ALA A 25 1.836 -11.499 -4.604 1.00 1.00 O ATOM 350 CB ALA A 25 -0.606 -10.484 -5.451 1.00 2.33 C ATOM 0 H ALA A 25 1.100 -9.804 -7.736 1.00 71.03 H new ATOM 0 HA ALA A 25 0.703 -8.855 -4.994 1.00 63.42 H new ATOM 0 HB1 ALA A 25 -0.613 -10.873 -4.433 1.00 2.33 H new ATOM 0 HB2 ALA A 25 -1.466 -9.830 -5.596 1.00 2.33 H new ATOM 0 HB3 ALA A 25 -0.658 -11.314 -6.156 1.00 2.33 H new ATOM 356 N TYR A 26 2.994 -10.276 -6.096 1.00 20.32 N ATOM 357 CA TYR A 26 4.225 -11.039 -5.930 1.00 24.24 C ATOM 358 C TYR A 26 5.441 -10.203 -6.318 1.00 70.22 C ATOM 359 O TYR A 26 5.368 -9.357 -7.210 1.00 64.43 O ATOM 360 CB TYR A 26 4.178 -12.314 -6.774 1.00 2.12 C ATOM 361 CG TYR A 26 3.400 -13.438 -6.129 1.00 74.54 C ATOM 362 CD1 TYR A 26 3.989 -14.263 -5.180 1.00 23.25 C ATOM 363 CD2 TYR A 26 2.073 -13.676 -6.470 1.00 44.50 C ATOM 364 CE1 TYR A 26 3.282 -15.292 -4.589 1.00 32.20 C ATOM 365 CE2 TYR A 26 1.358 -14.701 -5.883 1.00 73.35 C ATOM 366 CZ TYR A 26 1.966 -15.507 -4.944 1.00 64.10 C ATOM 367 OH TYR A 26 1.258 -16.530 -4.357 1.00 33.31 O ATOM 0 H TYR A 26 3.059 -9.512 -6.769 1.00 20.32 H new ATOM 0 HA TYR A 26 4.314 -11.311 -4.878 1.00 24.24 H new ATOM 0 HB2 TYR A 26 3.732 -12.083 -7.741 1.00 2.12 H new ATOM 0 HB3 TYR A 26 5.197 -12.651 -6.965 1.00 2.12 H new ATOM 0 HD1 TYR A 26 5.018 -14.097 -4.899 1.00 23.25 H new ATOM 0 HD2 TYR A 26 1.593 -13.048 -7.207 1.00 44.50 H new ATOM 0 HE1 TYR A 26 3.756 -15.925 -3.853 1.00 32.20 H new ATOM 0 HE2 TYR A 26 0.327 -14.871 -6.158 1.00 73.35 H new ATOM 0 HH TYR A 26 0.346 -16.545 -4.716 1.00 33.31 H new ATOM 377 N CYS A 27 6.559 -10.447 -5.642 1.00 52.42 N ATOM 378 CA CYS A 27 7.792 -9.718 -5.915 1.00 32.13 C ATOM 379 C CYS A 27 8.773 -10.584 -6.700 1.00 0.13 C ATOM 380 O CYS A 27 9.124 -11.684 -6.274 1.00 74.12 O ATOM 381 CB CYS A 27 8.436 -9.257 -4.606 1.00 10.50 C ATOM 382 SG CYS A 27 7.242 -8.730 -3.335 1.00 20.23 S ATOM 0 H CYS A 27 6.636 -11.144 -4.901 1.00 52.42 H new ATOM 0 HA CYS A 27 7.543 -8.844 -6.517 1.00 32.13 H new ATOM 0 HB2 CYS A 27 9.042 -10.070 -4.205 1.00 10.50 H new ATOM 0 HB3 CYS A 27 9.113 -8.430 -4.818 1.00 10.50 H new ATOM 387 N MET A 28 9.212 -10.078 -7.848 1.00 22.43 N ATOM 388 CA MET A 28 10.154 -10.805 -8.691 1.00 41.25 C ATOM 389 C MET A 28 11.558 -10.220 -8.568 1.00 35.23 C ATOM 390 O MET A 28 11.733 -9.002 -8.534 1.00 45.31 O ATOM 391 CB MET A 28 9.699 -10.765 -10.152 1.00 3.03 C ATOM 392 CG MET A 28 10.701 -11.377 -11.117 1.00 62.21 C ATOM 393 SD MET A 28 10.501 -10.770 -12.803 1.00 63.21 S ATOM 394 CE MET A 28 11.299 -12.078 -13.731 1.00 31.43 C ATOM 0 H MET A 28 8.931 -9.169 -8.215 1.00 22.43 H new ATOM 0 HA MET A 28 10.180 -11.841 -8.354 1.00 41.25 H new ATOM 0 HB2 MET A 28 8.750 -11.293 -10.243 1.00 3.03 H new ATOM 0 HB3 MET A 28 9.516 -9.729 -10.439 1.00 3.03 H new ATOM 0 HG2 MET A 28 11.712 -11.157 -10.773 1.00 62.21 H new ATOM 0 HG3 MET A 28 10.591 -12.461 -11.110 1.00 62.21 H new ATOM 0 HE1 MET A 28 11.560 -11.712 -14.724 1.00 31.43 H new ATOM 0 HE2 MET A 28 12.204 -12.393 -13.211 1.00 31.43 H new ATOM 0 HE3 MET A 28 10.620 -12.925 -13.823 1.00 31.43 H new ATOM 404 N THR A 29 12.555 -11.096 -8.500 1.00 21.42 N ATOM 405 CA THR A 29 13.943 -10.667 -8.378 1.00 75.12 C ATOM 406 C THR A 29 14.872 -11.579 -9.171 1.00 53.34 C ATOM 407 O THR A 29 15.014 -12.762 -8.860 1.00 15.32 O ATOM 408 CB THR A 29 14.397 -10.645 -6.907 1.00 31.05 C ATOM 409 OG1 THR A 29 13.636 -9.679 -6.173 1.00 74.02 O ATOM 410 CG2 THR A 29 15.878 -10.316 -6.802 1.00 44.24 C ATOM 0 H THR A 29 12.427 -12.108 -8.527 1.00 21.42 H new ATOM 0 HA THR A 29 13.998 -9.656 -8.783 1.00 75.12 H new ATOM 0 HB THR A 29 14.230 -11.636 -6.484 1.00 31.05 H new ATOM 0 HG1 THR A 29 12.763 -10.059 -5.940 1.00 74.02 H new ATOM 0 HG21 THR A 29 16.175 -10.306 -5.753 1.00 44.24 H new ATOM 0 HG22 THR A 29 16.457 -11.069 -7.336 1.00 44.24 H new ATOM 0 HG23 THR A 29 16.065 -9.336 -7.241 1.00 44.24 H new ATOM 418 N THR A 30 15.505 -11.021 -10.199 1.00 73.32 N ATOM 419 CA THR A 30 16.420 -11.784 -11.038 1.00 24.43 C ATOM 420 C THR A 30 17.858 -11.314 -10.851 1.00 24.44 C ATOM 421 O THR A 30 18.258 -10.279 -11.385 1.00 34.44 O ATOM 422 CB THR A 30 16.045 -11.671 -12.527 1.00 70.13 C ATOM 423 OG1 THR A 30 14.708 -12.142 -12.733 1.00 25.21 O ATOM 424 CG2 THR A 30 17.009 -12.471 -13.391 1.00 34.24 C ATOM 0 H THR A 30 15.400 -10.043 -10.470 1.00 73.32 H new ATOM 0 HA THR A 30 16.337 -12.826 -10.729 1.00 24.43 H new ATOM 0 HB THR A 30 16.109 -10.622 -12.816 1.00 70.13 H new ATOM 0 HG1 THR A 30 14.477 -12.065 -13.682 1.00 25.21 H new ATOM 0 HG21 THR A 30 16.724 -12.376 -14.439 1.00 34.24 H new ATOM 0 HG22 THR A 30 18.021 -12.091 -13.255 1.00 34.24 H new ATOM 0 HG23 THR A 30 16.974 -13.521 -13.099 1.00 34.24 H new ATOM 432 N ARG A 31 18.633 -12.081 -10.090 1.00 34.50 N ATOM 433 CA ARG A 31 20.027 -11.743 -9.832 1.00 51.54 C ATOM 434 C ARG A 31 20.956 -12.520 -10.760 1.00 72.40 C ATOM 435 O ARG A 31 21.187 -13.715 -10.567 1.00 50.41 O ATOM 436 CB ARG A 31 20.384 -12.034 -8.374 1.00 31.42 C ATOM 437 CG ARG A 31 20.079 -13.461 -7.946 1.00 11.42 C ATOM 438 CD ARG A 31 19.764 -13.541 -6.460 1.00 61.22 C ATOM 439 NE ARG A 31 20.625 -12.665 -5.670 1.00 71.10 N ATOM 440 CZ ARG A 31 21.857 -12.990 -5.293 1.00 74.02 C ATOM 441 NH1 ARG A 31 22.369 -14.164 -5.633 1.00 63.53 N ATOM 442 NH2 ARG A 31 22.578 -12.139 -4.575 1.00 43.02 N ATOM 0 H ARG A 31 18.318 -12.941 -9.641 1.00 34.50 H new ATOM 0 HA ARG A 31 20.157 -10.678 -10.024 1.00 51.54 H new ATOM 0 HB2 ARG A 31 21.445 -11.837 -8.222 1.00 31.42 H new ATOM 0 HB3 ARG A 31 19.837 -11.346 -7.730 1.00 31.42 H new ATOM 0 HG2 ARG A 31 19.234 -13.841 -8.519 1.00 11.42 H new ATOM 0 HG3 ARG A 31 20.932 -14.101 -8.173 1.00 11.42 H new ATOM 0 HD2 ARG A 31 18.721 -13.269 -6.295 1.00 61.22 H new ATOM 0 HD3 ARG A 31 19.883 -14.569 -6.119 1.00 61.22 H new ATOM 0 HE ARG A 31 20.261 -11.754 -5.392 1.00 71.10 H new ATOM 0 HH11 ARG A 31 21.817 -14.820 -6.185 1.00 63.53 H new ATOM 0 HH12 ARG A 31 23.315 -14.411 -5.342 1.00 63.53 H new ATOM 0 HH21 ARG A 31 22.187 -11.235 -4.312 1.00 43.02 H new ATOM 0 HH22 ARG A 31 23.524 -12.389 -4.286 1.00 43.02 H new ATOM 456 N THR A 32 21.486 -11.836 -11.769 1.00 1.54 N ATOM 457 CA THR A 32 22.388 -12.462 -12.727 1.00 50.41 C ATOM 458 C THR A 32 23.845 -12.213 -12.354 1.00 61.52 C ATOM 459 O THR A 32 24.152 -11.308 -11.578 1.00 51.03 O ATOM 460 CB THR A 32 22.140 -11.941 -14.155 1.00 54.23 C ATOM 461 OG1 THR A 32 20.735 -11.781 -14.381 1.00 14.11 O ATOM 462 CG2 THR A 32 22.719 -12.896 -15.188 1.00 13.01 C ATOM 0 H THR A 32 21.306 -10.847 -11.944 1.00 1.54 H new ATOM 0 HA THR A 32 22.186 -13.533 -12.698 1.00 50.41 H new ATOM 0 HB THR A 32 22.636 -10.976 -14.257 1.00 54.23 H new ATOM 0 HG1 THR A 32 20.586 -11.448 -15.290 1.00 14.11 H new ATOM 0 HG21 THR A 32 22.531 -12.507 -16.189 1.00 13.01 H new ATOM 0 HG22 THR A 32 23.793 -12.993 -15.032 1.00 13.01 H new ATOM 0 HG23 THR A 32 22.248 -13.873 -15.085 1.00 13.01 H new ATOM 470 N TYR A 33 24.739 -13.022 -12.912 1.00 23.25 N ATOM 471 CA TYR A 33 26.165 -12.891 -12.636 1.00 21.02 C ATOM 472 C TYR A 33 26.977 -12.952 -13.926 1.00 24.53 C ATOM 473 O TYR A 33 27.131 -14.016 -14.526 1.00 71.41 O ATOM 474 CB TYR A 33 26.624 -13.992 -11.678 1.00 40.20 C ATOM 475 CG TYR A 33 25.558 -14.423 -10.696 1.00 4.23 C ATOM 476 CD1 TYR A 33 25.071 -13.542 -9.738 1.00 24.22 C ATOM 477 CD2 TYR A 33 25.038 -15.711 -10.726 1.00 51.24 C ATOM 478 CE1 TYR A 33 24.099 -13.932 -8.838 1.00 34.10 C ATOM 479 CE2 TYR A 33 24.064 -16.109 -9.831 1.00 73.04 C ATOM 480 CZ TYR A 33 23.598 -15.216 -8.889 1.00 33.31 C ATOM 481 OH TYR A 33 22.627 -15.608 -7.995 1.00 65.12 O ATOM 0 H TYR A 33 24.502 -13.775 -13.558 1.00 23.25 H new ATOM 0 HA TYR A 33 26.331 -11.920 -12.169 1.00 21.02 H new ATOM 0 HB2 TYR A 33 26.943 -14.858 -12.259 1.00 40.20 H new ATOM 0 HB3 TYR A 33 27.495 -13.641 -11.125 1.00 40.20 H new ATOM 0 HD1 TYR A 33 25.459 -12.535 -9.697 1.00 24.22 H new ATOM 0 HD2 TYR A 33 25.402 -16.413 -11.462 1.00 51.24 H new ATOM 0 HE1 TYR A 33 23.733 -13.235 -8.098 1.00 34.10 H new ATOM 0 HE2 TYR A 33 23.670 -17.114 -9.869 1.00 73.04 H new ATOM 0 HH TYR A 33 22.806 -16.525 -7.698 1.00 65.12 H new ATOM 491 N TYR A 34 27.496 -11.804 -14.346 1.00 11.14 N ATOM 492 CA TYR A 34 28.291 -11.725 -15.565 1.00 4.10 C ATOM 493 C TYR A 34 29.748 -12.087 -15.290 1.00 13.12 C ATOM 494 O TYR A 34 30.229 -13.140 -15.710 1.00 11.13 O ATOM 495 CB TYR A 34 28.208 -10.320 -16.163 1.00 51.42 C ATOM 496 CG TYR A 34 26.938 -10.069 -16.945 1.00 2.30 C ATOM 497 CD1 TYR A 34 25.727 -9.867 -16.295 1.00 71.20 C ATOM 498 CD2 TYR A 34 26.950 -10.032 -18.334 1.00 23.20 C ATOM 499 CE1 TYR A 34 24.564 -9.639 -17.005 1.00 45.54 C ATOM 500 CE2 TYR A 34 25.793 -9.803 -19.053 1.00 11.34 C ATOM 501 CZ TYR A 34 24.603 -9.607 -18.384 1.00 15.02 C ATOM 502 OH TYR A 34 23.447 -9.378 -19.095 1.00 50.01 O ATOM 0 H TYR A 34 27.380 -10.915 -13.860 1.00 11.14 H new ATOM 0 HA TYR A 34 27.886 -12.442 -16.279 1.00 4.10 H new ATOM 0 HB2 TYR A 34 28.281 -9.587 -15.359 1.00 51.42 H new ATOM 0 HB3 TYR A 34 29.065 -10.161 -16.817 1.00 51.42 H new ATOM 0 HD1 TYR A 34 25.694 -9.889 -15.216 1.00 71.20 H new ATOM 0 HD2 TYR A 34 27.880 -10.185 -18.861 1.00 23.20 H new ATOM 0 HE1 TYR A 34 23.630 -9.487 -16.484 1.00 45.54 H new ATOM 0 HE2 TYR A 34 25.820 -9.778 -20.132 1.00 11.34 H new ATOM 0 HH TYR A 34 23.646 -9.386 -20.055 1.00 50.01 H new ATOM 512 N THR A 35 30.446 -11.206 -14.580 1.00 12.21 N ATOM 513 CA THR A 35 31.847 -11.430 -14.248 1.00 30.31 C ATOM 514 C THR A 35 32.027 -11.660 -12.752 1.00 24.42 C ATOM 515 O THR A 35 31.169 -11.317 -11.938 1.00 44.25 O ATOM 516 CB THR A 35 32.725 -10.241 -14.682 1.00 73.45 C ATOM 517 OG1 THR A 35 32.849 -9.305 -13.606 1.00 60.13 O ATOM 518 CG2 THR A 35 32.132 -9.547 -15.899 1.00 72.44 C ATOM 0 H THR A 35 30.063 -10.330 -14.224 1.00 12.21 H new ATOM 0 HA THR A 35 32.162 -12.321 -14.791 1.00 30.31 H new ATOM 0 HB THR A 35 33.711 -10.623 -14.946 1.00 73.45 H new ATOM 0 HG1 THR A 35 33.410 -8.553 -13.890 1.00 60.13 H new ATOM 0 HG21 THR A 35 32.769 -8.711 -16.187 1.00 72.44 H new ATOM 0 HG22 THR A 35 32.066 -10.255 -16.725 1.00 72.44 H new ATOM 0 HG23 THR A 35 31.135 -9.178 -15.658 1.00 72.44 H new ATOM 526 N PRO A 36 33.170 -12.255 -12.377 1.00 71.03 N ATOM 527 CA PRO A 36 33.490 -12.543 -10.976 1.00 61.01 C ATOM 528 C PRO A 36 33.771 -11.277 -10.174 1.00 23.23 C ATOM 529 O PRO A 36 33.970 -11.330 -8.959 1.00 55.14 O ATOM 530 CB PRO A 36 34.750 -13.407 -11.071 1.00 30.25 C ATOM 531 CG PRO A 36 35.375 -13.025 -12.368 1.00 31.51 C ATOM 532 CD PRO A 36 34.237 -12.691 -13.293 1.00 24.50 C ATOM 0 HA PRO A 36 32.662 -13.028 -10.460 1.00 61.01 H new ATOM 0 HB2 PRO A 36 35.424 -13.217 -10.236 1.00 30.25 H new ATOM 0 HB3 PRO A 36 34.505 -14.469 -11.047 1.00 30.25 H new ATOM 0 HG2 PRO A 36 36.041 -12.171 -12.244 1.00 31.51 H new ATOM 0 HG3 PRO A 36 35.976 -13.842 -12.767 1.00 31.51 H new ATOM 0 HD2 PRO A 36 34.509 -11.904 -13.997 1.00 24.50 H new ATOM 0 HD3 PRO A 36 33.932 -13.555 -13.883 1.00 24.50 H new ATOM 540 N THR A 37 33.787 -10.138 -10.860 1.00 20.44 N ATOM 541 CA THR A 37 34.045 -8.859 -10.211 1.00 14.01 C ATOM 542 C THR A 37 32.907 -7.876 -10.462 1.00 72.12 C ATOM 543 O THR A 37 32.904 -6.766 -9.930 1.00 43.24 O ATOM 544 CB THR A 37 35.364 -8.235 -10.703 1.00 25.43 C ATOM 545 OG1 THR A 37 35.418 -8.267 -12.133 1.00 63.43 O ATOM 546 CG2 THR A 37 36.561 -8.979 -10.128 1.00 41.34 C ATOM 0 H THR A 37 33.624 -10.076 -11.865 1.00 20.44 H new ATOM 0 HA THR A 37 34.122 -9.057 -9.142 1.00 14.01 H new ATOM 0 HB THR A 37 35.401 -7.200 -10.362 1.00 25.43 H new ATOM 0 HG1 THR A 37 36.259 -7.867 -12.438 1.00 63.43 H new ATOM 0 HG21 THR A 37 37.482 -8.521 -10.489 1.00 41.34 H new ATOM 0 HG22 THR A 37 36.533 -8.928 -9.040 1.00 41.34 H new ATOM 0 HG23 THR A 37 36.527 -10.022 -10.443 1.00 41.34 H new ATOM 554 N ARG A 38 31.941 -8.292 -11.275 1.00 50.41 N ATOM 555 CA ARG A 38 30.797 -7.447 -11.597 1.00 43.30 C ATOM 556 C ARG A 38 29.531 -8.283 -11.758 1.00 64.50 C ATOM 557 O ARG A 38 29.536 -9.309 -12.438 1.00 50.14 O ATOM 558 CB ARG A 38 31.065 -6.656 -12.879 1.00 1.22 C ATOM 559 CG ARG A 38 31.717 -5.305 -12.636 1.00 3.42 C ATOM 560 CD ARG A 38 32.488 -4.830 -13.858 1.00 31.12 C ATOM 561 NE ARG A 38 31.657 -4.028 -14.752 1.00 33.52 N ATOM 562 CZ ARG A 38 30.915 -4.545 -15.726 1.00 3.43 C ATOM 563 NH1 ARG A 38 30.901 -5.855 -15.930 1.00 4.43 N ATOM 564 NH2 ARG A 38 30.185 -3.750 -16.498 1.00 2.33 N ATOM 0 H ARG A 38 31.928 -9.209 -11.722 1.00 50.41 H new ATOM 0 HA ARG A 38 30.649 -6.750 -10.772 1.00 43.30 H new ATOM 0 HB2 ARG A 38 31.706 -7.247 -13.533 1.00 1.22 H new ATOM 0 HB3 ARG A 38 30.123 -6.506 -13.407 1.00 1.22 H new ATOM 0 HG2 ARG A 38 30.952 -4.572 -12.379 1.00 3.42 H new ATOM 0 HG3 ARG A 38 32.392 -5.374 -11.783 1.00 3.42 H new ATOM 0 HD2 ARG A 38 33.348 -4.242 -13.538 1.00 31.12 H new ATOM 0 HD3 ARG A 38 32.876 -5.693 -14.400 1.00 31.12 H new ATOM 0 HE ARG A 38 31.645 -3.016 -14.622 1.00 33.52 H new ATOM 0 HH11 ARG A 38 31.461 -6.469 -15.339 1.00 4.43 H new ATOM 0 HH12 ARG A 38 30.330 -6.249 -16.678 1.00 4.43 H new ATOM 0 HH21 ARG A 38 30.193 -2.742 -16.344 1.00 2.33 H new ATOM 0 HH22 ARG A 38 29.616 -4.147 -17.245 1.00 2.33 H new ATOM 578 N MET A 39 28.450 -7.838 -11.127 1.00 31.42 N ATOM 579 CA MET A 39 27.177 -8.546 -11.201 1.00 31.12 C ATOM 580 C MET A 39 26.030 -7.576 -11.468 1.00 65.14 C ATOM 581 O MET A 39 26.208 -6.359 -11.414 1.00 14.15 O ATOM 582 CB MET A 39 26.919 -9.313 -9.902 1.00 41.04 C ATOM 583 CG MET A 39 27.228 -8.509 -8.650 1.00 43.10 C ATOM 584 SD MET A 39 26.380 -9.143 -7.191 1.00 12.43 S ATOM 585 CE MET A 39 27.766 -9.733 -6.223 1.00 23.41 C ATOM 0 H MET A 39 28.430 -6.991 -10.559 1.00 31.42 H new ATOM 0 HA MET A 39 27.231 -9.254 -12.028 1.00 31.12 H new ATOM 0 HB2 MET A 39 25.875 -9.625 -9.875 1.00 41.04 H new ATOM 0 HB3 MET A 39 27.523 -10.220 -9.899 1.00 41.04 H new ATOM 0 HG2 MET A 39 28.304 -8.518 -8.473 1.00 43.10 H new ATOM 0 HG3 MET A 39 26.940 -7.470 -8.810 1.00 43.10 H new ATOM 0 HE1 MET A 39 27.402 -10.156 -5.286 1.00 23.41 H new ATOM 0 HE2 MET A 39 28.301 -10.500 -6.783 1.00 23.41 H new ATOM 0 HE3 MET A 39 28.440 -8.903 -6.009 1.00 23.41 H new ATOM 595 N LYS A 40 24.855 -8.123 -11.758 1.00 54.45 N ATOM 596 CA LYS A 40 23.678 -7.306 -12.034 1.00 21.42 C ATOM 597 C LYS A 40 22.443 -7.883 -11.349 1.00 62.42 C ATOM 598 O LYS A 40 22.319 -9.098 -11.192 1.00 20.04 O ATOM 599 CB LYS A 40 23.440 -7.211 -13.543 1.00 0.14 C ATOM 600 CG LYS A 40 22.040 -6.749 -13.909 1.00 63.34 C ATOM 601 CD LYS A 40 21.861 -6.655 -15.415 1.00 41.43 C ATOM 602 CE LYS A 40 22.228 -5.273 -15.935 1.00 3.04 C ATOM 603 NZ LYS A 40 21.922 -5.126 -17.385 1.00 2.15 N ATOM 0 H LYS A 40 24.692 -9.129 -11.808 1.00 54.45 H new ATOM 0 HA LYS A 40 23.859 -6.307 -11.637 1.00 21.42 H new ATOM 0 HB2 LYS A 40 24.166 -6.521 -13.974 1.00 0.14 H new ATOM 0 HB3 LYS A 40 23.621 -8.187 -13.993 1.00 0.14 H new ATOM 0 HG2 LYS A 40 21.307 -7.443 -13.497 1.00 63.34 H new ATOM 0 HG3 LYS A 40 21.847 -5.776 -13.457 1.00 63.34 H new ATOM 0 HD2 LYS A 40 22.482 -7.406 -15.904 1.00 41.43 H new ATOM 0 HD3 LYS A 40 20.826 -6.879 -15.674 1.00 41.43 H new ATOM 0 HE2 LYS A 40 21.683 -4.516 -15.370 1.00 3.04 H new ATOM 0 HE3 LYS A 40 23.290 -5.092 -15.768 1.00 3.04 H new ATOM 0 HZ1 LYS A 40 22.186 -4.171 -17.701 1.00 2.15 H new ATOM 0 HZ2 LYS A 40 22.461 -5.831 -17.927 1.00 2.15 H new ATOM 0 HZ3 LYS A 40 20.904 -5.273 -17.542 1.00 2.15 H new ATOM 617 N VAL A 41 21.531 -7.005 -10.945 1.00 42.23 N ATOM 618 CA VAL A 41 20.305 -7.427 -10.280 1.00 35.30 C ATOM 619 C VAL A 41 19.099 -6.659 -10.810 1.00 2.22 C ATOM 620 O VAL A 41 19.221 -5.511 -11.238 1.00 30.13 O ATOM 621 CB VAL A 41 20.396 -7.229 -8.755 1.00 61.23 C ATOM 622 CG1 VAL A 41 20.505 -5.751 -8.414 1.00 40.24 C ATOM 623 CG2 VAL A 41 19.195 -7.857 -8.064 1.00 25.12 C ATOM 0 H VAL A 41 21.618 -5.996 -11.067 1.00 42.23 H new ATOM 0 HA VAL A 41 20.179 -8.488 -10.494 1.00 35.30 H new ATOM 0 HB VAL A 41 21.296 -7.728 -8.394 1.00 61.23 H new ATOM 0 HG11 VAL A 41 20.568 -5.631 -7.332 1.00 40.24 H new ATOM 0 HG12 VAL A 41 21.399 -5.335 -8.878 1.00 40.24 H new ATOM 0 HG13 VAL A 41 19.626 -5.226 -8.787 1.00 40.24 H new ATOM 0 HG21 VAL A 41 19.276 -7.708 -6.987 1.00 25.12 H new ATOM 0 HG22 VAL A 41 18.280 -7.389 -8.428 1.00 25.12 H new ATOM 0 HG23 VAL A 41 19.167 -8.925 -8.281 1.00 25.12 H new ATOM 633 N SER A 42 17.935 -7.300 -10.778 1.00 0.52 N ATOM 634 CA SER A 42 16.707 -6.678 -11.258 1.00 53.50 C ATOM 635 C SER A 42 15.516 -7.092 -10.399 1.00 71.21 C ATOM 636 O SER A 42 15.298 -8.278 -10.149 1.00 61.03 O ATOM 637 CB SER A 42 16.454 -7.058 -12.718 1.00 61.50 C ATOM 638 OG SER A 42 16.824 -8.404 -12.965 1.00 44.24 O ATOM 0 H SER A 42 17.817 -8.250 -10.425 1.00 0.52 H new ATOM 0 HA SER A 42 16.825 -5.597 -11.187 1.00 53.50 H new ATOM 0 HB2 SER A 42 15.400 -6.918 -12.956 1.00 61.50 H new ATOM 0 HB3 SER A 42 17.020 -6.396 -13.373 1.00 61.50 H new ATOM 0 HG SER A 42 16.652 -8.624 -13.904 1.00 44.24 H new ATOM 644 N LYS A 43 14.747 -6.106 -9.949 1.00 63.31 N ATOM 645 CA LYS A 43 13.577 -6.366 -9.119 1.00 1.22 C ATOM 646 C LYS A 43 12.387 -5.531 -9.580 1.00 12.31 C ATOM 647 O LYS A 43 12.550 -4.399 -10.035 1.00 51.24 O ATOM 648 CB LYS A 43 13.889 -6.062 -7.652 1.00 4.41 C ATOM 649 CG LYS A 43 15.164 -6.720 -7.152 1.00 51.53 C ATOM 650 CD LYS A 43 15.747 -5.974 -5.964 1.00 4.02 C ATOM 651 CE LYS A 43 16.862 -6.768 -5.301 1.00 5.14 C ATOM 652 NZ LYS A 43 16.352 -8.010 -4.656 1.00 52.43 N ATOM 0 H LYS A 43 14.913 -5.119 -10.145 1.00 63.31 H new ATOM 0 HA LYS A 43 13.319 -7.420 -9.218 1.00 1.22 H new ATOM 0 HB2 LYS A 43 13.972 -4.983 -7.523 1.00 4.41 H new ATOM 0 HB3 LYS A 43 13.053 -6.393 -7.035 1.00 4.41 H new ATOM 0 HG2 LYS A 43 14.955 -7.751 -6.868 1.00 51.53 H new ATOM 0 HG3 LYS A 43 15.898 -6.753 -7.958 1.00 51.53 H new ATOM 0 HD2 LYS A 43 16.132 -5.008 -6.292 1.00 4.02 H new ATOM 0 HD3 LYS A 43 14.960 -5.773 -5.237 1.00 4.02 H new ATOM 0 HE2 LYS A 43 17.614 -7.028 -6.045 1.00 5.14 H new ATOM 0 HE3 LYS A 43 17.355 -6.147 -4.553 1.00 5.14 H new ATOM 0 HZ1 LYS A 43 17.088 -8.745 -4.687 1.00 52.43 H new ATOM 0 HZ2 LYS A 43 16.104 -7.810 -3.666 1.00 52.43 H new ATOM 0 HZ3 LYS A 43 15.508 -8.344 -5.164 1.00 52.43 H new ATOM 666 N SER A 44 11.190 -6.096 -9.457 1.00 41.03 N ATOM 667 CA SER A 44 9.973 -5.404 -9.864 1.00 34.02 C ATOM 668 C SER A 44 8.737 -6.115 -9.321 1.00 14.34 C ATOM 669 O SER A 44 8.837 -7.175 -8.703 1.00 70.42 O ATOM 670 CB SER A 44 9.895 -5.317 -11.389 1.00 44.32 C ATOM 671 OG SER A 44 9.644 -6.589 -11.961 1.00 2.12 O ATOM 0 H SER A 44 11.037 -7.031 -9.079 1.00 41.03 H new ATOM 0 HA SER A 44 10.003 -4.396 -9.451 1.00 34.02 H new ATOM 0 HB2 SER A 44 9.105 -4.623 -11.677 1.00 44.32 H new ATOM 0 HB3 SER A 44 10.830 -4.916 -11.782 1.00 44.32 H new ATOM 0 HG SER A 44 9.597 -6.506 -12.936 1.00 2.12 H new ATOM 677 N CYS A 45 7.571 -5.522 -9.555 1.00 35.31 N ATOM 678 CA CYS A 45 6.314 -6.096 -9.090 1.00 34.21 C ATOM 679 C CYS A 45 5.598 -6.828 -10.222 1.00 23.44 C ATOM 680 O CYS A 45 5.274 -6.237 -11.251 1.00 40.43 O ATOM 681 CB CYS A 45 5.408 -5.001 -8.523 1.00 74.32 C ATOM 682 SG CYS A 45 5.604 -4.727 -6.733 1.00 15.20 S ATOM 0 H CYS A 45 7.471 -4.644 -10.064 1.00 35.31 H new ATOM 0 HA CYS A 45 6.541 -6.815 -8.303 1.00 34.21 H new ATOM 0 HB2 CYS A 45 5.613 -4.067 -9.047 1.00 74.32 H new ATOM 0 HB3 CYS A 45 4.370 -5.261 -8.728 1.00 74.32 H new ATOM 687 N VAL A 46 5.355 -8.120 -10.023 1.00 11.03 N ATOM 688 CA VAL A 46 4.677 -8.933 -11.025 1.00 31.41 C ATOM 689 C VAL A 46 3.555 -9.754 -10.399 1.00 60.32 C ATOM 690 O VAL A 46 3.595 -10.109 -9.221 1.00 34.02 O ATOM 691 CB VAL A 46 5.659 -9.884 -11.735 1.00 4.14 C ATOM 692 CG1 VAL A 46 6.737 -9.093 -12.460 1.00 65.42 C ATOM 693 CG2 VAL A 46 6.277 -10.853 -10.737 1.00 50.45 C ATOM 0 H VAL A 46 5.618 -8.626 -9.177 1.00 11.03 H new ATOM 0 HA VAL A 46 4.255 -8.245 -11.758 1.00 31.41 H new ATOM 0 HB VAL A 46 5.107 -10.463 -12.475 1.00 4.14 H new ATOM 0 HG11 VAL A 46 7.422 -9.781 -12.956 1.00 65.42 H new ATOM 0 HG12 VAL A 46 6.274 -8.443 -13.203 1.00 65.42 H new ATOM 0 HG13 VAL A 46 7.289 -8.487 -11.742 1.00 65.42 H new ATOM 0 HG21 VAL A 46 6.968 -11.518 -11.255 1.00 50.45 H new ATOM 0 HG22 VAL A 46 6.816 -10.293 -9.973 1.00 50.45 H new ATOM 0 HG23 VAL A 46 5.490 -11.443 -10.267 1.00 50.45 H new ATOM 703 N PRO A 47 2.529 -10.065 -11.205 1.00 70.22 N ATOM 704 CA PRO A 47 1.376 -10.849 -10.752 1.00 61.34 C ATOM 705 C PRO A 47 1.735 -12.307 -10.485 1.00 44.02 C ATOM 706 O PRO A 47 1.315 -12.886 -9.484 1.00 34.24 O ATOM 707 CB PRO A 47 0.395 -10.746 -11.923 1.00 63.41 C ATOM 708 CG PRO A 47 1.253 -10.491 -13.114 1.00 72.44 C ATOM 709 CD PRO A 47 2.416 -9.676 -12.621 1.00 15.43 C ATOM 0 HA PRO A 47 0.976 -10.477 -9.809 1.00 61.34 H new ATOM 0 HB2 PRO A 47 -0.181 -11.664 -12.039 1.00 63.41 H new ATOM 0 HB3 PRO A 47 -0.321 -9.938 -11.770 1.00 63.41 H new ATOM 0 HG2 PRO A 47 1.593 -11.427 -13.558 1.00 72.44 H new ATOM 0 HG3 PRO A 47 0.700 -9.955 -13.885 1.00 72.44 H new ATOM 0 HD2 PRO A 47 3.328 -9.902 -13.174 1.00 15.43 H new ATOM 0 HD3 PRO A 47 2.233 -8.607 -12.731 1.00 15.43 H new ATOM 717 N ARG A 48 2.516 -12.894 -11.387 1.00 32.14 N ATOM 718 CA ARG A 48 2.931 -14.285 -11.248 1.00 12.22 C ATOM 719 C ARG A 48 4.425 -14.436 -11.517 1.00 41.44 C ATOM 720 O ARG A 48 4.921 -14.034 -12.571 1.00 14.13 O ATOM 721 CB ARG A 48 2.137 -15.174 -12.206 1.00 35.41 C ATOM 722 CG ARG A 48 0.630 -15.040 -12.054 1.00 42.14 C ATOM 723 CD ARG A 48 0.081 -16.036 -11.045 1.00 53.30 C ATOM 724 NE ARG A 48 -1.215 -15.620 -10.515 1.00 52.34 N ATOM 725 CZ ARG A 48 -2.348 -15.691 -11.205 1.00 33.51 C ATOM 726 NH1 ARG A 48 -2.345 -16.161 -12.445 1.00 31.12 N ATOM 727 NH2 ARG A 48 -3.488 -15.293 -10.654 1.00 21.50 N ATOM 0 H ARG A 48 2.874 -12.428 -12.221 1.00 32.14 H new ATOM 0 HA ARG A 48 2.731 -14.597 -10.223 1.00 12.22 H new ATOM 0 HB2 ARG A 48 2.414 -14.927 -13.231 1.00 35.41 H new ATOM 0 HB3 ARG A 48 2.419 -16.214 -12.041 1.00 35.41 H new ATOM 0 HG2 ARG A 48 0.384 -14.026 -11.737 1.00 42.14 H new ATOM 0 HG3 ARG A 48 0.150 -15.197 -13.020 1.00 42.14 H new ATOM 0 HD2 ARG A 48 -0.017 -17.014 -11.517 1.00 53.30 H new ATOM 0 HD3 ARG A 48 0.789 -16.148 -10.224 1.00 53.30 H new ATOM 0 HE ARG A 48 -1.252 -15.255 -9.563 1.00 52.34 H new ATOM 0 HH11 ARG A 48 -1.471 -16.469 -12.871 1.00 31.12 H new ATOM 0 HH12 ARG A 48 -3.217 -16.214 -12.972 1.00 31.12 H new ATOM 0 HH21 ARG A 48 -3.495 -14.932 -9.700 1.00 21.50 H new ATOM 0 HH22 ARG A 48 -4.357 -15.348 -11.185 1.00 21.50 H new ATOM 741 N CYS A 49 5.138 -15.017 -10.559 1.00 4.34 N ATOM 742 CA CYS A 49 6.576 -15.220 -10.691 1.00 31.32 C ATOM 743 C CYS A 49 6.959 -16.650 -10.319 1.00 43.21 C ATOM 744 O CYS A 49 6.626 -17.132 -9.236 1.00 41.13 O ATOM 745 CB CYS A 49 7.336 -14.230 -9.806 1.00 32.22 C ATOM 746 SG CYS A 49 9.145 -14.437 -9.843 1.00 43.21 S ATOM 0 H CYS A 49 4.743 -15.356 -9.682 1.00 4.34 H new ATOM 0 HA CYS A 49 6.848 -15.048 -11.732 1.00 31.32 H new ATOM 0 HB2 CYS A 49 7.091 -13.216 -10.120 1.00 32.22 H new ATOM 0 HB3 CYS A 49 6.990 -14.338 -8.778 1.00 32.22 H new ATOM 751 N PHE A 50 7.662 -17.322 -11.225 1.00 30.45 N ATOM 752 CA PHE A 50 8.091 -18.697 -10.993 1.00 14.21 C ATOM 753 C PHE A 50 9.605 -18.773 -10.821 1.00 11.42 C ATOM 754 O PHE A 50 10.353 -18.086 -11.515 1.00 4.30 O ATOM 755 CB PHE A 50 7.652 -19.593 -12.153 1.00 45.44 C ATOM 756 CG PHE A 50 6.164 -19.776 -12.240 1.00 63.12 C ATOM 757 CD1 PHE A 50 5.445 -20.235 -11.148 1.00 53.45 C ATOM 758 CD2 PHE A 50 5.485 -19.490 -13.413 1.00 52.23 C ATOM 759 CE1 PHE A 50 4.075 -20.405 -11.226 1.00 64.11 C ATOM 760 CE2 PHE A 50 4.115 -19.658 -13.497 1.00 4.03 C ATOM 761 CZ PHE A 50 3.410 -20.115 -12.401 1.00 72.31 C ATOM 0 H PHE A 50 7.947 -16.937 -12.126 1.00 30.45 H new ATOM 0 HA PHE A 50 7.621 -19.048 -10.074 1.00 14.21 H new ATOM 0 HB2 PHE A 50 8.013 -19.165 -13.088 1.00 45.44 H new ATOM 0 HB3 PHE A 50 8.124 -20.569 -12.046 1.00 45.44 H new ATOM 0 HD1 PHE A 50 5.960 -20.462 -10.226 1.00 53.45 H new ATOM 0 HD2 PHE A 50 6.032 -19.131 -14.272 1.00 52.23 H new ATOM 0 HE1 PHE A 50 3.525 -20.764 -10.369 1.00 64.11 H new ATOM 0 HE2 PHE A 50 3.598 -19.432 -14.418 1.00 4.03 H new ATOM 0 HZ PHE A 50 2.340 -20.245 -12.463 1.00 72.31 H new ATOM 771 N GLU A 51 10.047 -19.612 -9.890 1.00 24.30 N ATOM 772 CA GLU A 51 11.472 -19.777 -9.626 1.00 10.34 C ATOM 773 C GLU A 51 12.187 -20.360 -10.841 1.00 42.40 C ATOM 774 O GLU A 51 11.734 -21.340 -11.432 1.00 20.51 O ATOM 775 CB GLU A 51 11.687 -20.682 -8.411 1.00 32.11 C ATOM 776 CG GLU A 51 12.950 -20.362 -7.629 1.00 72.31 C ATOM 777 CD GLU A 51 12.777 -19.175 -6.702 1.00 31.34 C ATOM 778 OE1 GLU A 51 11.871 -18.353 -6.952 1.00 30.24 O ATOM 779 OE2 GLU A 51 13.548 -19.069 -5.725 1.00 43.01 O ATOM 0 H GLU A 51 9.440 -20.188 -9.306 1.00 24.30 H new ATOM 0 HA GLU A 51 11.892 -18.793 -9.416 1.00 10.34 H new ATOM 0 HB2 GLU A 51 10.827 -20.595 -7.747 1.00 32.11 H new ATOM 0 HB3 GLU A 51 11.729 -21.719 -8.744 1.00 32.11 H new ATOM 0 HG2 GLU A 51 13.242 -21.235 -7.045 1.00 72.31 H new ATOM 0 HG3 GLU A 51 13.763 -20.158 -8.326 1.00 72.31 H new ATOM 786 N THR A 52 13.309 -19.748 -11.210 1.00 74.21 N ATOM 787 CA THR A 52 14.086 -20.204 -12.355 1.00 43.13 C ATOM 788 C THR A 52 14.847 -21.484 -12.029 1.00 74.32 C ATOM 789 O THR A 52 15.900 -21.448 -11.393 1.00 12.02 O ATOM 790 CB THR A 52 15.088 -19.129 -12.818 1.00 22.14 C ATOM 791 OG1 THR A 52 14.389 -17.937 -13.193 1.00 3.14 O ATOM 792 CG2 THR A 52 15.915 -19.629 -13.993 1.00 34.43 C ATOM 0 H THR A 52 13.699 -18.936 -10.732 1.00 74.21 H new ATOM 0 HA THR A 52 13.377 -20.401 -13.159 1.00 43.13 H new ATOM 0 HB THR A 52 15.760 -18.910 -11.989 1.00 22.14 H new ATOM 0 HG1 THR A 52 15.032 -17.264 -13.499 1.00 3.14 H new ATOM 0 HG21 THR A 52 16.615 -18.853 -14.302 1.00 34.43 H new ATOM 0 HG22 THR A 52 16.469 -20.519 -13.695 1.00 34.43 H new ATOM 0 HG23 THR A 52 15.254 -19.874 -14.825 1.00 34.43 H new ATOM 800 N VAL A 53 14.307 -22.616 -12.470 1.00 34.32 N ATOM 801 CA VAL A 53 14.936 -23.909 -12.226 1.00 55.12 C ATOM 802 C VAL A 53 15.600 -24.444 -13.490 1.00 1.43 C ATOM 803 O VAL A 53 14.930 -24.957 -14.386 1.00 44.35 O ATOM 804 CB VAL A 53 13.913 -24.944 -11.720 1.00 4.23 C ATOM 805 CG1 VAL A 53 12.690 -24.973 -12.624 1.00 23.24 C ATOM 806 CG2 VAL A 53 14.552 -26.322 -11.628 1.00 13.53 C ATOM 0 H VAL A 53 13.436 -22.664 -12.998 1.00 34.32 H new ATOM 0 HA VAL A 53 15.694 -23.753 -11.459 1.00 55.12 H new ATOM 0 HB VAL A 53 13.589 -24.651 -10.721 1.00 4.23 H new ATOM 0 HG11 VAL A 53 11.979 -25.710 -12.251 1.00 23.24 H new ATOM 0 HG12 VAL A 53 12.221 -23.989 -12.634 1.00 23.24 H new ATOM 0 HG13 VAL A 53 12.992 -25.241 -13.636 1.00 23.24 H new ATOM 0 HG21 VAL A 53 13.816 -27.041 -11.269 1.00 13.53 H new ATOM 0 HG22 VAL A 53 14.905 -26.626 -12.613 1.00 13.53 H new ATOM 0 HG23 VAL A 53 15.393 -26.288 -10.936 1.00 13.53 H new ATOM 816 N TYR A 54 16.921 -24.320 -13.554 1.00 22.51 N ATOM 817 CA TYR A 54 17.677 -24.790 -14.709 1.00 3.31 C ATOM 818 C TYR A 54 19.103 -25.161 -14.312 1.00 71.15 C ATOM 819 O TYR A 54 19.968 -24.295 -14.179 1.00 71.15 O ATOM 820 CB TYR A 54 17.702 -23.717 -15.799 1.00 2.33 C ATOM 821 CG TYR A 54 18.362 -24.171 -17.081 1.00 23.11 C ATOM 822 CD1 TYR A 54 17.894 -25.283 -17.770 1.00 31.21 C ATOM 823 CD2 TYR A 54 19.454 -23.489 -17.603 1.00 25.31 C ATOM 824 CE1 TYR A 54 18.494 -25.703 -18.941 1.00 41.44 C ATOM 825 CE2 TYR A 54 20.060 -23.901 -18.774 1.00 51.44 C ATOM 826 CZ TYR A 54 19.576 -25.008 -19.440 1.00 3.21 C ATOM 827 OH TYR A 54 20.178 -25.422 -20.606 1.00 54.54 O ATOM 0 H TYR A 54 17.490 -23.898 -12.820 1.00 22.51 H new ATOM 0 HA TYR A 54 17.183 -25.681 -15.097 1.00 3.31 H new ATOM 0 HB2 TYR A 54 16.680 -23.408 -16.016 1.00 2.33 H new ATOM 0 HB3 TYR A 54 18.227 -22.839 -15.421 1.00 2.33 H new ATOM 0 HD1 TYR A 54 17.046 -25.829 -17.383 1.00 31.21 H new ATOM 0 HD2 TYR A 54 19.836 -22.622 -17.084 1.00 25.31 H new ATOM 0 HE1 TYR A 54 18.118 -26.571 -19.463 1.00 41.44 H new ATOM 0 HE2 TYR A 54 20.908 -23.359 -19.166 1.00 51.44 H new ATOM 0 HH TYR A 54 20.924 -24.823 -20.819 1.00 54.54 H new ATOM 837 N ASP A 55 19.340 -26.455 -14.126 1.00 11.22 N ATOM 838 CA ASP A 55 20.661 -26.943 -13.746 1.00 75.23 C ATOM 839 C ASP A 55 20.837 -28.404 -14.151 1.00 13.43 C ATOM 840 O ASP A 55 20.809 -29.299 -13.308 1.00 23.31 O ATOM 841 CB ASP A 55 20.871 -26.790 -12.239 1.00 51.52 C ATOM 842 CG ASP A 55 19.671 -27.254 -11.437 1.00 24.02 C ATOM 843 OD1 ASP A 55 18.689 -26.489 -11.341 1.00 11.20 O ATOM 844 OD2 ASP A 55 19.715 -28.383 -10.905 1.00 72.15 O ATOM 0 H ASP A 55 18.635 -27.185 -14.232 1.00 11.22 H new ATOM 0 HA ASP A 55 21.407 -26.346 -14.271 1.00 75.23 H new ATOM 0 HB2 ASP A 55 21.749 -27.362 -11.938 1.00 51.52 H new ATOM 0 HB3 ASP A 55 21.077 -25.745 -12.008 1.00 51.52 H new ATOM 849 N GLY A 56 21.017 -28.636 -15.448 1.00 14.15 N ATOM 850 CA GLY A 56 21.193 -29.989 -15.941 1.00 62.12 C ATOM 851 C GLY A 56 22.326 -30.717 -15.245 1.00 42.13 C ATOM 852 O GLY A 56 22.162 -31.852 -14.797 1.00 14.33 O ATOM 0 H GLY A 56 21.044 -27.911 -16.165 1.00 14.15 H new ATOM 0 HA2 GLY A 56 20.267 -30.547 -15.801 1.00 62.12 H new ATOM 0 HA3 GLY A 56 21.389 -29.959 -17.013 1.00 62.12 H new ATOM 856 N TYR A 57 23.480 -30.064 -15.156 1.00 72.43 N ATOM 857 CA TYR A 57 24.646 -30.658 -14.514 1.00 22.32 C ATOM 858 C TYR A 57 25.370 -29.634 -13.645 1.00 61.30 C ATOM 859 O TYR A 57 25.789 -29.937 -12.528 1.00 4.21 O ATOM 860 CB TYR A 57 25.604 -31.219 -15.566 1.00 41.02 C ATOM 861 CG TYR A 57 25.090 -32.465 -16.251 1.00 33.23 C ATOM 862 CD1 TYR A 57 24.494 -33.487 -15.521 1.00 44.14 C ATOM 863 CD2 TYR A 57 25.198 -32.620 -17.627 1.00 60.23 C ATOM 864 CE1 TYR A 57 24.024 -34.627 -16.143 1.00 32.54 C ATOM 865 CE2 TYR A 57 24.729 -33.757 -18.257 1.00 52.33 C ATOM 866 CZ TYR A 57 24.143 -34.758 -17.511 1.00 1.44 C ATOM 867 OH TYR A 57 23.674 -35.892 -18.133 1.00 42.44 O ATOM 0 H TYR A 57 23.632 -29.124 -15.520 1.00 72.43 H new ATOM 0 HA TYR A 57 24.302 -31.472 -13.875 1.00 22.32 H new ATOM 0 HB2 TYR A 57 25.793 -30.453 -16.318 1.00 41.02 H new ATOM 0 HB3 TYR A 57 26.560 -31.443 -15.092 1.00 41.02 H new ATOM 0 HD1 TYR A 57 24.397 -33.388 -14.450 1.00 44.14 H new ATOM 0 HD2 TYR A 57 25.656 -31.838 -18.215 1.00 60.23 H new ATOM 0 HE1 TYR A 57 23.565 -35.413 -15.561 1.00 32.54 H new ATOM 0 HE2 TYR A 57 24.821 -33.861 -19.328 1.00 52.33 H new ATOM 0 HH TYR A 57 23.834 -35.826 -19.098 1.00 42.44 H new ATOM 877 N SER A 58 25.512 -28.420 -14.167 1.00 63.20 N ATOM 878 CA SER A 58 26.188 -27.351 -13.442 1.00 0.42 C ATOM 879 C SER A 58 25.908 -25.996 -14.086 1.00 65.33 C ATOM 880 O SER A 58 26.617 -25.571 -14.999 1.00 23.31 O ATOM 881 CB SER A 58 27.696 -27.607 -13.401 1.00 33.05 C ATOM 882 OG SER A 58 28.418 -26.390 -13.333 1.00 44.14 O ATOM 0 H SER A 58 25.168 -28.152 -15.089 1.00 63.20 H new ATOM 0 HA SER A 58 25.802 -27.336 -12.423 1.00 0.42 H new ATOM 0 HB2 SER A 58 27.940 -28.227 -12.538 1.00 33.05 H new ATOM 0 HB3 SER A 58 27.998 -28.163 -14.288 1.00 33.05 H new ATOM 0 HG SER A 58 28.209 -25.841 -14.118 1.00 44.14 H new ATOM 888 N LYS A 59 24.870 -25.322 -13.605 1.00 35.31 N ATOM 889 CA LYS A 59 24.494 -24.015 -14.131 1.00 65.32 C ATOM 890 C LYS A 59 23.912 -23.133 -13.032 1.00 4.33 C ATOM 891 O LYS A 59 22.821 -23.394 -12.524 1.00 63.32 O ATOM 892 CB LYS A 59 23.479 -24.172 -15.265 1.00 41.45 C ATOM 893 CG LYS A 59 24.117 -24.351 -16.632 1.00 71.02 C ATOM 894 CD LYS A 59 23.239 -25.183 -17.552 1.00 64.41 C ATOM 895 CE LYS A 59 23.881 -25.367 -18.919 1.00 23.23 C ATOM 896 NZ LYS A 59 24.920 -26.434 -18.905 1.00 3.15 N ATOM 0 H LYS A 59 24.273 -25.660 -12.850 1.00 35.31 H new ATOM 0 HA LYS A 59 25.392 -23.535 -14.519 1.00 65.32 H new ATOM 0 HB2 LYS A 59 22.842 -25.032 -15.055 1.00 41.45 H new ATOM 0 HB3 LYS A 59 22.833 -23.295 -15.287 1.00 41.45 H new ATOM 0 HG2 LYS A 59 24.295 -23.374 -17.082 1.00 71.02 H new ATOM 0 HG3 LYS A 59 25.089 -24.833 -16.521 1.00 71.02 H new ATOM 0 HD2 LYS A 59 23.058 -26.158 -17.100 1.00 64.41 H new ATOM 0 HD3 LYS A 59 22.269 -24.699 -17.667 1.00 64.41 H new ATOM 0 HE2 LYS A 59 23.113 -25.618 -19.650 1.00 23.23 H new ATOM 0 HE3 LYS A 59 24.330 -24.427 -19.239 1.00 23.23 H new ATOM 0 HZ1 LYS A 59 25.333 -26.528 -19.855 1.00 3.15 H new ATOM 0 HZ2 LYS A 59 25.666 -26.183 -18.226 1.00 3.15 H new ATOM 0 HZ3 LYS A 59 24.487 -27.337 -18.625 1.00 3.15 H new ATOM 910 N HIS A 60 24.646 -22.085 -12.669 1.00 24.51 N ATOM 911 CA HIS A 60 24.201 -21.163 -11.631 1.00 3.34 C ATOM 912 C HIS A 60 24.695 -19.747 -11.914 1.00 24.24 C ATOM 913 O HIS A 60 25.104 -19.029 -11.002 1.00 45.42 O ATOM 914 CB HIS A 60 24.699 -21.625 -10.261 1.00 12.23 C ATOM 915 CG HIS A 60 26.186 -21.788 -10.187 1.00 52.31 C ATOM 916 ND1 HIS A 60 26.828 -22.973 -10.475 1.00 61.41 N ATOM 917 CD2 HIS A 60 27.158 -20.905 -9.857 1.00 72.34 C ATOM 918 CE1 HIS A 60 28.131 -22.814 -10.324 1.00 12.20 C ATOM 919 NE2 HIS A 60 28.357 -21.567 -9.950 1.00 23.50 N ATOM 0 H HIS A 60 25.551 -21.854 -13.079 1.00 24.51 H new ATOM 0 HA HIS A 60 23.111 -21.155 -11.629 1.00 3.34 H new ATOM 0 HB2 HIS A 60 24.383 -20.904 -9.507 1.00 12.23 H new ATOM 0 HB3 HIS A 60 24.225 -22.575 -10.013 1.00 12.23 H new ATOM 0 HD2 HIS A 60 27.016 -19.873 -9.574 1.00 72.34 H new ATOM 0 HE1 HIS A 60 28.883 -23.574 -10.480 1.00 12.20 H new ATOM 0 HE2 HIS A 60 29.274 -21.162 -9.761 1.00 23.50 H new ATOM 927 N ALA A 61 24.655 -19.354 -13.182 1.00 61.14 N ATOM 928 CA ALA A 61 25.097 -18.025 -13.585 1.00 4.22 C ATOM 929 C ALA A 61 23.980 -17.001 -13.419 1.00 54.14 C ATOM 930 O ALA A 61 24.214 -15.795 -13.493 1.00 52.32 O ATOM 931 CB ALA A 61 25.588 -18.045 -15.025 1.00 22.32 C ATOM 0 H ALA A 61 24.321 -19.938 -13.949 1.00 61.14 H new ATOM 0 HA ALA A 61 25.922 -17.732 -12.936 1.00 4.22 H new ATOM 0 HB1 ALA A 61 25.915 -17.046 -15.312 1.00 22.32 H new ATOM 0 HB2 ALA A 61 26.423 -18.740 -15.115 1.00 22.32 H new ATOM 0 HB3 ALA A 61 24.778 -18.364 -15.681 1.00 22.32 H new ATOM 937 N SER A 62 22.764 -17.490 -13.196 1.00 12.40 N ATOM 938 CA SER A 62 21.609 -16.617 -13.025 1.00 15.53 C ATOM 939 C SER A 62 20.499 -17.328 -12.256 1.00 61.02 C ATOM 940 O SER A 62 20.223 -18.506 -12.488 1.00 2.24 O ATOM 941 CB SER A 62 21.086 -16.154 -14.386 1.00 72.12 C ATOM 942 OG SER A 62 20.164 -17.087 -14.922 1.00 74.10 O ATOM 0 H SER A 62 22.554 -18.486 -13.130 1.00 12.40 H new ATOM 0 HA SER A 62 21.925 -15.747 -12.450 1.00 15.53 H new ATOM 0 HB2 SER A 62 20.605 -15.181 -14.283 1.00 72.12 H new ATOM 0 HB3 SER A 62 21.921 -16.026 -15.075 1.00 72.12 H new ATOM 0 HG SER A 62 19.843 -16.767 -15.791 1.00 74.10 H new ATOM 948 N THR A 63 19.865 -16.604 -11.339 1.00 74.02 N ATOM 949 CA THR A 63 18.786 -17.164 -10.535 1.00 22.31 C ATOM 950 C THR A 63 17.713 -16.120 -10.250 1.00 51.12 C ATOM 951 O THR A 63 18.011 -14.936 -10.088 1.00 53.15 O ATOM 952 CB THR A 63 19.313 -17.720 -9.198 1.00 73.44 C ATOM 953 OG1 THR A 63 18.301 -18.511 -8.564 1.00 11.51 O ATOM 954 CG2 THR A 63 19.737 -16.591 -8.272 1.00 14.02 C ATOM 0 H THR A 63 20.080 -15.628 -11.135 1.00 74.02 H new ATOM 0 HA THR A 63 18.351 -17.979 -11.114 1.00 22.31 H new ATOM 0 HB THR A 63 20.183 -18.343 -9.406 1.00 73.44 H new ATOM 0 HG1 THR A 63 18.644 -18.862 -7.716 1.00 11.51 H new ATOM 0 HG21 THR A 63 20.105 -17.008 -7.335 1.00 14.02 H new ATOM 0 HG22 THR A 63 20.528 -16.009 -8.746 1.00 14.02 H new ATOM 0 HG23 THR A 63 18.882 -15.945 -8.071 1.00 14.02 H new ATOM 962 N THR A 64 16.462 -16.565 -10.189 1.00 73.10 N ATOM 963 CA THR A 64 15.344 -15.669 -9.924 1.00 54.31 C ATOM 964 C THR A 64 14.560 -16.116 -8.695 1.00 53.35 C ATOM 965 O THR A 64 14.261 -17.299 -8.535 1.00 12.03 O ATOM 966 CB THR A 64 14.387 -15.592 -11.129 1.00 43.12 C ATOM 967 OG1 THR A 64 15.114 -15.233 -12.309 1.00 43.24 O ATOM 968 CG2 THR A 64 13.282 -14.576 -10.879 1.00 64.54 C ATOM 0 H THR A 64 16.198 -17.541 -10.320 1.00 73.10 H new ATOM 0 HA THR A 64 15.768 -14.681 -9.742 1.00 54.31 H new ATOM 0 HB THR A 64 13.932 -16.573 -11.267 1.00 43.12 H new ATOM 0 HG1 THR A 64 15.011 -14.273 -12.477 1.00 43.24 H new ATOM 0 HG21 THR A 64 12.619 -14.539 -11.743 1.00 64.54 H new ATOM 0 HG22 THR A 64 12.712 -14.868 -9.997 1.00 64.54 H new ATOM 0 HG23 THR A 64 13.722 -13.592 -10.717 1.00 64.54 H new ATOM 976 N SER A 65 14.229 -15.162 -7.831 1.00 13.20 N ATOM 977 CA SER A 65 13.482 -15.458 -6.614 1.00 74.54 C ATOM 978 C SER A 65 12.119 -14.773 -6.633 1.00 75.33 C ATOM 979 O SER A 65 11.969 -13.676 -7.172 1.00 64.22 O ATOM 980 CB SER A 65 14.272 -15.012 -5.383 1.00 44.12 C ATOM 981 OG SER A 65 15.621 -15.442 -5.460 1.00 15.15 O ATOM 0 H SER A 65 14.466 -14.177 -7.951 1.00 13.20 H new ATOM 0 HA SER A 65 13.327 -16.536 -6.566 1.00 74.54 H new ATOM 0 HB2 SER A 65 14.237 -13.926 -5.298 1.00 44.12 H new ATOM 0 HB3 SER A 65 13.809 -15.417 -4.483 1.00 44.12 H new ATOM 0 HG SER A 65 16.106 -15.143 -4.662 1.00 15.15 H new ATOM 987 N CYS A 66 11.126 -15.429 -6.041 1.00 52.40 N ATOM 988 CA CYS A 66 9.774 -14.885 -5.989 1.00 30.21 C ATOM 989 C CYS A 66 9.189 -15.015 -4.585 1.00 43.24 C ATOM 990 O CYS A 66 9.390 -16.023 -3.908 1.00 33.50 O ATOM 991 CB CYS A 66 8.874 -15.603 -6.997 1.00 20.35 C ATOM 992 SG CYS A 66 9.661 -15.908 -8.611 1.00 72.10 S ATOM 0 H CYS A 66 11.232 -16.338 -5.591 1.00 52.40 H new ATOM 0 HA CYS A 66 9.824 -13.827 -6.246 1.00 30.21 H new ATOM 0 HB2 CYS A 66 8.559 -16.556 -6.572 1.00 20.35 H new ATOM 0 HB3 CYS A 66 7.973 -15.009 -7.151 1.00 20.35 H new ATOM 997 N CYS A 67 8.465 -13.987 -4.155 1.00 22.21 N ATOM 998 CA CYS A 67 7.851 -13.984 -2.833 1.00 31.42 C ATOM 999 C CYS A 67 6.602 -13.108 -2.815 1.00 51.12 C ATOM 1000 O CYS A 67 6.249 -12.493 -3.821 1.00 64.24 O ATOM 1001 CB CYS A 67 8.849 -13.490 -1.785 1.00 4.54 C ATOM 1002 SG CYS A 67 9.971 -12.185 -2.384 1.00 11.15 S ATOM 0 H CYS A 67 8.289 -13.145 -4.703 1.00 22.21 H new ATOM 0 HA CYS A 67 7.559 -15.007 -2.593 1.00 31.42 H new ATOM 0 HB2 CYS A 67 8.298 -13.113 -0.923 1.00 4.54 H new ATOM 0 HB3 CYS A 67 9.444 -14.335 -1.438 1.00 4.54 H new ATOM 1007 N GLN A 68 5.938 -13.056 -1.665 1.00 21.32 N ATOM 1008 CA GLN A 68 4.729 -12.256 -1.517 1.00 15.34 C ATOM 1009 C GLN A 68 4.766 -11.446 -0.224 1.00 63.45 C ATOM 1010 O GLN A 68 3.759 -10.874 0.191 1.00 54.43 O ATOM 1011 CB GLN A 68 3.491 -13.155 -1.533 1.00 42.12 C ATOM 1012 CG GLN A 68 2.183 -12.388 -1.643 1.00 42.02 C ATOM 1013 CD GLN A 68 1.027 -13.266 -2.081 1.00 2.42 C ATOM 1014 OE1 GLN A 68 0.797 -13.460 -3.275 1.00 2.42 O ATOM 1015 NE2 GLN A 68 0.292 -13.802 -1.114 1.00 31.11 N ATOM 0 H GLN A 68 6.217 -13.559 -0.822 1.00 21.32 H new ATOM 0 HA GLN A 68 4.678 -11.564 -2.357 1.00 15.34 H new ATOM 0 HB2 GLN A 68 3.567 -13.849 -2.370 1.00 42.12 H new ATOM 0 HB3 GLN A 68 3.476 -13.754 -0.623 1.00 42.12 H new ATOM 0 HG2 GLN A 68 1.948 -11.938 -0.678 1.00 42.02 H new ATOM 0 HG3 GLN A 68 2.304 -11.571 -2.355 1.00 42.02 H new ATOM 0 HE21 GLN A 68 0.519 -13.614 -0.137 1.00 31.11 H new ATOM 0 HE22 GLN A 68 -0.499 -14.402 -1.348 1.00 31.11 H new ATOM 1024 N TYR A 69 5.934 -11.404 0.407 1.00 42.11 N ATOM 1025 CA TYR A 69 6.103 -10.667 1.654 1.00 55.02 C ATOM 1026 C TYR A 69 6.649 -9.267 1.390 1.00 72.12 C ATOM 1027 O TYR A 69 7.433 -9.059 0.464 1.00 61.01 O ATOM 1028 CB TYR A 69 7.041 -11.424 2.595 1.00 1.31 C ATOM 1029 CG TYR A 69 7.608 -10.566 3.703 1.00 4.52 C ATOM 1030 CD1 TYR A 69 6.779 -10.001 4.665 1.00 43.02 C ATOM 1031 CD2 TYR A 69 8.973 -10.318 3.788 1.00 31.43 C ATOM 1032 CE1 TYR A 69 7.293 -9.216 5.679 1.00 52.42 C ATOM 1033 CE2 TYR A 69 9.495 -9.536 4.799 1.00 4.45 C ATOM 1034 CZ TYR A 69 8.651 -8.986 5.742 1.00 25.31 C ATOM 1035 OH TYR A 69 9.168 -8.205 6.750 1.00 11.21 O ATOM 0 H TYR A 69 6.778 -11.872 0.076 1.00 42.11 H new ATOM 0 HA TYR A 69 5.125 -10.572 2.126 1.00 55.02 H new ATOM 0 HB2 TYR A 69 6.501 -12.262 3.036 1.00 1.31 H new ATOM 0 HB3 TYR A 69 7.863 -11.844 2.015 1.00 1.31 H new ATOM 0 HD1 TYR A 69 5.715 -10.179 4.619 1.00 43.02 H new ATOM 0 HD2 TYR A 69 9.637 -10.744 3.050 1.00 31.43 H new ATOM 0 HE1 TYR A 69 6.635 -8.785 6.418 1.00 52.42 H new ATOM 0 HE2 TYR A 69 10.559 -9.356 4.852 1.00 4.45 H new ATOM 0 HH TYR A 69 10.141 -8.144 6.650 1.00 11.21 H new ATOM 1045 N ASP A 70 6.229 -8.311 2.211 1.00 52.02 N ATOM 1046 CA ASP A 70 6.676 -6.930 2.069 1.00 62.32 C ATOM 1047 C ASP A 70 8.200 -6.850 2.069 1.00 54.12 C ATOM 1048 O ASP A 70 8.862 -7.415 2.940 1.00 12.03 O ATOM 1049 CB ASP A 70 6.108 -6.069 3.198 1.00 54.15 C ATOM 1050 CG ASP A 70 4.608 -5.878 3.081 1.00 42.10 C ATOM 1051 OD1 ASP A 70 4.148 -5.437 2.007 1.00 14.51 O ATOM 1052 OD2 ASP A 70 3.895 -6.171 4.063 1.00 2.53 O ATOM 0 H ASP A 70 5.580 -8.467 2.982 1.00 52.02 H new ATOM 0 HA ASP A 70 6.310 -6.551 1.115 1.00 62.32 H new ATOM 0 HB2 ASP A 70 6.339 -6.534 4.157 1.00 54.15 H new ATOM 0 HB3 ASP A 70 6.597 -5.095 3.190 1.00 54.15 H new ATOM 1057 N LEU A 71 8.750 -6.146 1.086 1.00 54.41 N ATOM 1058 CA LEU A 71 10.196 -5.992 0.971 1.00 12.14 C ATOM 1059 C LEU A 71 10.901 -7.333 1.146 1.00 45.22 C ATOM 1060 O LEU A 71 11.989 -7.404 1.719 1.00 31.42 O ATOM 1061 CB LEU A 71 10.707 -4.995 2.013 1.00 55.42 C ATOM 1062 CG LEU A 71 9.996 -3.641 2.051 1.00 45.14 C ATOM 1063 CD1 LEU A 71 10.721 -2.684 2.985 1.00 70.04 C ATOM 1064 CD2 LEU A 71 9.898 -3.051 0.651 1.00 31.13 C ATOM 0 H LEU A 71 8.216 -5.673 0.357 1.00 54.41 H new ATOM 0 HA LEU A 71 10.418 -5.612 -0.026 1.00 12.14 H new ATOM 0 HB2 LEU A 71 10.624 -5.454 2.998 1.00 55.42 H new ATOM 0 HB3 LEU A 71 11.768 -4.821 1.831 1.00 55.42 H new ATOM 0 HG LEU A 71 8.986 -3.793 2.432 1.00 45.14 H new ATOM 0 HD11 LEU A 71 10.201 -1.726 2.999 1.00 70.04 H new ATOM 0 HD12 LEU A 71 10.740 -3.102 3.991 1.00 70.04 H new ATOM 0 HD13 LEU A 71 11.743 -2.537 2.634 1.00 70.04 H new ATOM 0 HD21 LEU A 71 9.389 -2.088 0.697 1.00 31.13 H new ATOM 0 HD22 LEU A 71 10.899 -2.914 0.243 1.00 31.13 H new ATOM 0 HD23 LEU A 71 9.335 -3.729 0.009 1.00 31.13 H new ATOM 1076 N CYS A 72 10.277 -8.394 0.646 1.00 52.33 N ATOM 1077 CA CYS A 72 10.845 -9.733 0.744 1.00 13.20 C ATOM 1078 C CYS A 72 12.130 -9.840 -0.071 1.00 42.23 C ATOM 1079 O CYS A 72 13.055 -10.561 0.300 1.00 34.43 O ATOM 1080 CB CYS A 72 9.834 -10.775 0.262 1.00 54.14 C ATOM 1081 SG CYS A 72 9.306 -10.554 -1.468 1.00 42.01 S ATOM 0 H CYS A 72 9.377 -8.352 0.168 1.00 52.33 H new ATOM 0 HA CYS A 72 11.083 -9.924 1.791 1.00 13.20 H new ATOM 0 HB2 CYS A 72 10.270 -11.768 0.374 1.00 54.14 H new ATOM 0 HB3 CYS A 72 8.956 -10.739 0.906 1.00 54.14 H new ATOM 1086 N ASN A 73 12.180 -9.116 -1.185 1.00 2.54 N ATOM 1087 CA ASN A 73 13.352 -9.129 -2.053 1.00 53.21 C ATOM 1088 C ASN A 73 14.412 -8.153 -1.552 1.00 12.15 C ATOM 1089 O ASN A 73 15.591 -8.278 -1.880 1.00 53.32 O ATOM 1090 CB ASN A 73 12.953 -8.774 -3.487 1.00 44.11 C ATOM 1091 CG ASN A 73 12.311 -7.404 -3.586 1.00 52.14 C ATOM 1092 OD1 ASN A 73 11.990 -6.782 -2.574 1.00 12.32 O ATOM 1093 ND2 ASN A 73 12.120 -6.927 -4.811 1.00 71.52 N ATOM 0 H ASN A 73 11.423 -8.513 -1.508 1.00 2.54 H new ATOM 0 HA ASN A 73 13.774 -10.134 -2.038 1.00 53.21 H new ATOM 0 HB2 ASN A 73 13.836 -8.805 -4.125 1.00 44.11 H new ATOM 0 HB3 ASN A 73 12.260 -9.525 -3.865 1.00 44.11 H new ATOM 0 HD21 ASN A 73 11.692 -6.010 -4.940 1.00 71.52 H new ATOM 0 HD22 ASN A 73 12.402 -7.477 -5.622 1.00 71.52 H new ATOM 1100 N GLY A 74 13.983 -7.181 -0.752 1.00 53.33 N ATOM 1101 CA GLY A 74 14.907 -6.198 -0.218 1.00 10.24 C ATOM 1102 C GLY A 74 15.561 -5.366 -1.303 1.00 61.32 C ATOM 1103 O GLY A 74 16.775 -5.165 -1.293 1.00 64.23 O ATOM 0 H GLY A 74 13.012 -7.057 -0.465 1.00 53.33 H new ATOM 0 HA2 GLY A 74 14.375 -5.540 0.469 1.00 10.24 H new ATOM 0 HA3 GLY A 74 15.679 -6.706 0.360 1.00 10.24 H new TER 1107 GLY A 74