USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 36 ASN : amide:sc= -0.021 X(o=-0.024,f=-0.0025) USER MOD Set 1.2: A 37 SER OG : rot 180:sc=-0.00254 USER MOD Single : A 1 MET CE :methyl -136:sc= -1.22 (180deg=-2.11) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.0113 (180deg=0.000935) USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.00418 USER MOD Single : A 5 GLN : amide:sc= -5.66! C(o=-5.7!,f=-9.7!) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0132 F(o=-1.1,f=-0.013) USER MOD Single : A 9 ASN : amide:sc= -4.22! C(o=-4.2!,f=-8.2!) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.25 F(o=-6.1!,f=-1.3) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.27) USER MOD Single : A 38 SER OG : rot 36:sc= -2.16! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.02 (180deg=1.01) USER MOD Single : A 62 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.006) USER MOD Single : A 64 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.33) USER MOD Single : A 65 ASN : amide:sc= -0.93 X(o=-0.93,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ -143:sc= 0.979 (180deg=-0.256) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0.633 (180deg=0.633) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00481 USER MOD Single : A 85 THR OG1 : rot -21:sc= 0.155 USER MOD Single : A 86 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.1!) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.408 0.510 4.809 1.00 1.70 N ATOM 2 CA MET A 1 12.120 -0.117 5.175 1.00 1.61 C ATOM 3 C MET A 1 11.897 -0.111 6.666 1.00 0.88 C ATOM 4 O MET A 1 12.749 -0.515 7.456 1.00 1.16 O ATOM 5 CB MET A 1 12.045 -1.563 4.677 1.00 2.50 C ATOM 6 CG MET A 1 10.952 -2.369 5.368 1.00 2.77 C ATOM 7 SD MET A 1 9.297 -2.010 4.760 1.00 2.91 S ATOM 8 CE MET A 1 8.313 -2.899 5.963 1.00 2.61 C ATOM 0 H1 MET A 1 13.572 0.396 3.788 1.00 1.70 H new ATOM 0 H2 MET A 1 13.381 1.523 5.045 1.00 1.70 H new ATOM 0 H3 MET A 1 14.179 0.053 5.336 1.00 1.70 H new ATOM 0 HA MET A 1 11.343 0.478 4.695 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.866 -1.563 3.602 1.00 2.50 H new ATOM 0 HB3 MET A 1 13.007 -2.049 4.840 1.00 2.50 H new ATOM 0 HG2 MET A 1 11.156 -3.431 5.234 1.00 2.77 H new ATOM 0 HG3 MET A 1 10.988 -2.170 6.439 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.521 -3.446 5.452 1.00 2.61 H new ATOM 0 HE2 MET A 1 8.947 -3.601 6.505 1.00 2.61 H new ATOM 0 HE3 MET A 1 7.871 -2.192 6.665 1.00 2.61 H new ATOM 20 N THR A 2 10.731 0.358 7.022 1.00 0.65 N ATOM 21 CA THR A 2 10.191 0.181 8.338 1.00 1.13 C ATOM 22 C THR A 2 8.687 0.084 8.185 1.00 1.10 C ATOM 23 O THR A 2 8.144 0.558 7.186 1.00 1.86 O ATOM 24 CB THR A 2 10.591 1.333 9.297 1.00 1.75 C ATOM 25 OG1 THR A 2 9.800 1.286 10.486 1.00 2.36 O ATOM 26 CG2 THR A 2 10.445 2.696 8.636 1.00 2.63 C ATOM 0 H THR A 2 10.122 0.882 6.393 1.00 0.65 H new ATOM 0 HA THR A 2 10.595 -0.724 8.791 1.00 1.13 H new ATOM 0 HB THR A 2 11.642 1.194 9.552 1.00 1.75 H new ATOM 0 HG1 THR A 2 10.063 2.017 11.083 1.00 2.36 H new ATOM 0 HG21 THR A 2 10.735 3.475 9.341 1.00 2.63 H new ATOM 0 HG22 THR A 2 11.087 2.745 7.757 1.00 2.63 H new ATOM 0 HG23 THR A 2 9.408 2.846 8.336 1.00 2.63 H new ATOM 34 N CYS A 3 8.000 -0.523 9.137 1.00 0.81 N ATOM 35 CA CYS A 3 6.548 -0.605 9.049 1.00 0.69 C ATOM 36 C CYS A 3 5.949 0.765 9.380 1.00 0.65 C ATOM 37 O CYS A 3 4.747 0.917 9.593 1.00 0.79 O ATOM 38 CB CYS A 3 6.000 -1.696 9.971 1.00 0.76 C ATOM 39 SG CYS A 3 4.422 -2.413 9.398 1.00 0.70 S ATOM 0 H CYS A 3 8.410 -0.958 9.963 1.00 0.81 H new ATOM 0 HA CYS A 3 6.262 -0.880 8.034 1.00 0.69 H new ATOM 0 HB2 CYS A 3 6.740 -2.491 10.059 1.00 0.76 H new ATOM 0 HB3 CYS A 3 5.859 -1.280 10.969 1.00 0.76 H new ATOM 44 N GLY A 4 6.824 1.764 9.390 1.00 0.57 N ATOM 45 CA GLY A 4 6.407 3.139 9.543 1.00 0.56 C ATOM 46 C GLY A 4 6.600 3.875 8.238 1.00 0.51 C ATOM 47 O GLY A 4 6.005 4.928 8.004 1.00 0.53 O ATOM 0 H GLY A 4 7.832 1.638 9.293 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.360 3.181 9.844 1.00 0.56 H new ATOM 0 HA3 GLY A 4 6.985 3.619 10.332 1.00 0.56 H new ATOM 51 N GLN A 5 7.428 3.279 7.382 1.00 0.52 N ATOM 52 CA GLN A 5 7.673 3.782 6.045 1.00 0.51 C ATOM 53 C GLN A 5 6.428 3.544 5.206 1.00 0.46 C ATOM 54 O GLN A 5 5.866 4.469 4.613 1.00 0.52 O ATOM 55 CB GLN A 5 8.879 3.051 5.448 1.00 0.60 C ATOM 56 CG GLN A 5 9.012 3.143 3.940 1.00 0.62 C ATOM 57 CD GLN A 5 9.654 1.892 3.374 1.00 0.81 C ATOM 58 OE1 GLN A 5 9.544 0.823 3.960 1.00 1.25 O ATOM 59 NE2 GLN A 5 10.317 2.006 2.236 1.00 0.96 N ATOM 0 H GLN A 5 7.947 2.430 7.604 1.00 0.52 H new ATOM 0 HA GLN A 5 7.891 4.850 6.066 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.786 3.451 5.901 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.820 1.999 5.727 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.028 3.286 3.493 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.611 4.015 3.677 1.00 0.62 H new ATOM 0 HE21 GLN A 5 10.388 2.913 1.776 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.758 1.186 1.818 1.00 0.96 H new ATOM 68 N VAL A 6 5.993 2.290 5.202 1.00 0.43 N ATOM 69 CA VAL A 6 4.762 1.895 4.535 1.00 0.44 C ATOM 70 C VAL A 6 3.578 2.632 5.135 1.00 0.44 C ATOM 71 O VAL A 6 2.707 3.126 4.417 1.00 0.49 O ATOM 72 CB VAL A 6 4.521 0.381 4.682 1.00 0.49 C ATOM 73 CG1 VAL A 6 3.248 -0.045 3.967 1.00 1.02 C ATOM 74 CG2 VAL A 6 5.719 -0.388 4.165 1.00 1.12 C ATOM 0 H VAL A 6 6.483 1.522 5.660 1.00 0.43 H new ATOM 0 HA VAL A 6 4.862 2.147 3.479 1.00 0.44 H new ATOM 0 HB VAL A 6 4.392 0.153 5.740 1.00 0.49 H new ATOM 0 HG11 VAL A 6 3.104 -1.119 4.088 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.396 0.485 4.393 1.00 1.02 H new ATOM 0 HG13 VAL A 6 3.330 0.193 2.906 1.00 1.02 H new ATOM 0 HG21 VAL A 6 5.539 -1.458 4.273 1.00 1.12 H new ATOM 0 HG22 VAL A 6 5.877 -0.151 3.113 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.604 -0.109 4.736 1.00 1.12 H new ATOM 84 N GLN A 7 3.566 2.702 6.459 1.00 0.47 N ATOM 85 CA GLN A 7 2.487 3.349 7.182 1.00 0.54 C ATOM 86 C GLN A 7 2.357 4.808 6.766 1.00 0.58 C ATOM 87 O GLN A 7 1.253 5.302 6.595 1.00 0.70 O ATOM 88 CB GLN A 7 2.718 3.247 8.688 1.00 0.66 C ATOM 89 CG GLN A 7 1.589 3.835 9.512 1.00 0.98 C ATOM 90 CD GLN A 7 1.811 3.689 11.002 1.00 1.27 C ATOM 91 OE1 GLN A 7 2.498 2.630 11.404 1.00 1.97 O flip ATOM 92 NE2 GLN A 7 1.374 4.529 11.786 1.00 1.69 N flip ATOM 0 H GLN A 7 4.298 2.315 7.055 1.00 0.47 H new ATOM 0 HA GLN A 7 1.557 2.837 6.935 1.00 0.54 H new ATOM 0 HB2 GLN A 7 2.847 2.199 8.958 1.00 0.66 H new ATOM 0 HB3 GLN A 7 3.647 3.758 8.941 1.00 0.66 H new ATOM 0 HG2 GLN A 7 1.479 4.892 9.268 1.00 0.98 H new ATOM 0 HG3 GLN A 7 0.654 3.346 9.239 1.00 0.98 H new ATOM 0 HE21 GLN A 7 0.850 5.330 11.435 1.00 1.69 H new ATOM 0 HE22 GLN A 7 1.536 4.425 12.788 1.00 1.69 H new ATOM 101 N GLY A 8 3.485 5.483 6.586 1.00 0.60 N ATOM 102 CA GLY A 8 3.462 6.870 6.156 1.00 0.70 C ATOM 103 C GLY A 8 2.867 7.020 4.771 1.00 0.66 C ATOM 104 O GLY A 8 2.090 7.939 4.513 1.00 0.82 O ATOM 0 H GLY A 8 4.417 5.095 6.730 1.00 0.60 H new ATOM 0 HA2 GLY A 8 2.884 7.461 6.866 1.00 0.70 H new ATOM 0 HA3 GLY A 8 4.476 7.269 6.161 1.00 0.70 H new ATOM 108 N ASN A 9 3.227 6.101 3.884 1.00 0.58 N ATOM 109 CA ASN A 9 2.701 6.084 2.524 1.00 0.63 C ATOM 110 C ASN A 9 1.199 5.839 2.534 1.00 0.62 C ATOM 111 O ASN A 9 0.433 6.607 1.953 1.00 0.78 O ATOM 112 CB ASN A 9 3.437 5.032 1.685 1.00 0.75 C ATOM 113 CG ASN A 9 4.903 5.387 1.496 1.00 1.30 C ATOM 114 OD1 ASN A 9 5.740 4.518 1.298 1.00 1.86 O ATOM 115 ND2 ASN A 9 5.226 6.670 1.569 1.00 1.86 N ATOM 0 H ASN A 9 3.888 5.350 4.085 1.00 0.58 H new ATOM 0 HA ASN A 9 2.872 7.058 2.066 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.358 4.059 2.171 1.00 0.75 H new ATOM 0 HB3 ASN A 9 2.956 4.942 0.711 1.00 0.75 H new ATOM 0 HD21 ASN A 9 6.198 6.958 1.459 1.00 1.86 H new ATOM 0 HD22 ASN A 9 4.502 7.369 1.735 1.00 1.86 H new ATOM 122 N LEU A 10 0.776 4.797 3.235 1.00 0.56 N ATOM 123 CA LEU A 10 -0.638 4.451 3.298 1.00 0.66 C ATOM 124 C LEU A 10 -1.442 5.463 4.114 1.00 0.65 C ATOM 125 O LEU A 10 -2.624 5.675 3.843 1.00 0.72 O ATOM 126 CB LEU A 10 -0.820 3.040 3.863 1.00 0.89 C ATOM 127 CG LEU A 10 -0.837 1.920 2.820 1.00 1.00 C ATOM 128 CD1 LEU A 10 0.490 1.843 2.076 1.00 1.45 C ATOM 129 CD2 LEU A 10 -1.153 0.589 3.479 1.00 1.73 C ATOM 0 H LEU A 10 1.388 4.178 3.766 1.00 0.56 H new ATOM 0 HA LEU A 10 -1.024 4.477 2.279 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.016 2.843 4.572 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -1.754 3.008 4.423 1.00 0.89 H new ATOM 0 HG LEU A 10 -1.618 2.146 2.094 1.00 1.00 H new ATOM 0 HD11 LEU A 10 0.449 1.039 1.341 1.00 1.45 H new ATOM 0 HD12 LEU A 10 0.678 2.789 1.568 1.00 1.45 H new ATOM 0 HD13 LEU A 10 1.294 1.646 2.785 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -1.162 -0.198 2.725 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -0.394 0.365 4.228 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -2.131 0.643 3.958 1.00 1.73 H new ATOM 141 N ALA A 11 -0.798 6.103 5.092 1.00 0.62 N ATOM 142 CA ALA A 11 -1.472 7.066 5.969 1.00 0.69 C ATOM 143 C ALA A 11 -2.133 8.180 5.175 1.00 0.63 C ATOM 144 O ALA A 11 -3.242 8.604 5.489 1.00 0.72 O ATOM 145 CB ALA A 11 -0.494 7.661 6.973 1.00 0.77 C ATOM 0 H ALA A 11 0.192 5.972 5.298 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.249 6.522 6.506 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -1.017 8.372 7.612 1.00 0.77 H new ATOM 0 HB2 ALA A 11 -0.072 6.864 7.586 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.308 8.173 6.441 1.00 0.77 H new ATOM 151 N GLN A 12 -1.454 8.639 4.133 1.00 0.56 N ATOM 152 CA GLN A 12 -1.962 9.731 3.314 1.00 0.53 C ATOM 153 C GLN A 12 -3.177 9.289 2.515 1.00 0.52 C ATOM 154 O GLN A 12 -4.000 10.107 2.103 1.00 0.60 O ATOM 155 CB GLN A 12 -0.884 10.232 2.357 1.00 0.56 C ATOM 156 CG GLN A 12 0.381 10.737 3.037 1.00 0.52 C ATOM 157 CD GLN A 12 0.202 12.048 3.796 1.00 1.30 C ATOM 158 OE1 GLN A 12 -0.969 12.278 4.371 1.00 2.18 O flip ATOM 159 NE2 GLN A 12 1.132 12.850 3.877 1.00 1.88 N flip ATOM 0 H GLN A 12 -0.550 8.272 3.835 1.00 0.56 H new ATOM 0 HA GLN A 12 -2.252 10.540 3.985 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -0.617 9.424 1.676 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.300 11.036 1.750 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.737 9.975 3.730 1.00 0.52 H new ATOM 0 HG3 GLN A 12 1.157 10.870 2.283 1.00 0.52 H new ATOM 0 HE21 GLN A 12 2.023 12.646 3.424 1.00 1.88 H new ATOM 0 HE22 GLN A 12 1.012 13.719 4.398 1.00 1.88 H new ATOM 168 N CYS A 13 -3.279 7.995 2.288 1.00 0.52 N ATOM 169 CA CYS A 13 -4.378 7.446 1.525 1.00 0.56 C ATOM 170 C CYS A 13 -5.519 7.037 2.441 1.00 0.53 C ATOM 171 O CYS A 13 -6.649 6.887 1.987 1.00 0.56 O ATOM 172 CB CYS A 13 -3.908 6.238 0.721 1.00 0.69 C ATOM 173 SG CYS A 13 -2.608 6.597 -0.503 1.00 1.23 S ATOM 0 H CYS A 13 -2.610 7.302 2.624 1.00 0.52 H new ATOM 0 HA CYS A 13 -4.737 8.217 0.843 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.538 5.480 1.412 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -4.765 5.807 0.204 1.00 0.69 H new ATOM 178 N ILE A 14 -5.212 6.873 3.729 1.00 0.58 N ATOM 179 CA ILE A 14 -6.185 6.397 4.722 1.00 0.67 C ATOM 180 C ILE A 14 -7.467 7.243 4.736 1.00 0.67 C ATOM 181 O ILE A 14 -8.534 6.743 5.076 1.00 0.77 O ATOM 182 CB ILE A 14 -5.567 6.320 6.146 1.00 0.80 C ATOM 183 CG1 ILE A 14 -4.623 5.115 6.243 1.00 0.98 C ATOM 184 CG2 ILE A 14 -6.641 6.236 7.227 1.00 1.04 C ATOM 185 CD1 ILE A 14 -3.941 4.984 7.587 1.00 1.11 C ATOM 0 H ILE A 14 -4.287 7.064 4.115 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.460 5.388 4.417 1.00 0.67 H new ATOM 0 HB ILE A 14 -5.003 7.238 6.314 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -5.188 4.205 6.042 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -3.863 5.197 5.466 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -6.167 6.184 8.207 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -7.277 7.120 7.178 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -7.247 5.344 7.069 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -3.290 4.110 7.581 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -3.348 5.877 7.783 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -4.694 4.870 8.367 1.00 1.11 H new ATOM 197 N GLY A 15 -7.372 8.507 4.353 1.00 0.66 N ATOM 198 CA GLY A 15 -8.570 9.323 4.228 1.00 0.76 C ATOM 199 C GLY A 15 -9.573 8.722 3.272 1.00 0.86 C ATOM 200 O GLY A 15 -10.680 8.354 3.662 1.00 1.45 O ATOM 0 H GLY A 15 -6.498 8.982 4.128 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -9.031 9.441 5.209 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.294 10.320 3.883 1.00 0.76 H new ATOM 204 N PHE A 16 -9.176 8.633 2.017 1.00 0.61 N ATOM 205 CA PHE A 16 -9.972 7.978 0.991 1.00 0.60 C ATOM 206 C PHE A 16 -10.174 6.510 1.342 1.00 0.60 C ATOM 207 O PHE A 16 -11.233 5.937 1.108 1.00 0.69 O ATOM 208 CB PHE A 16 -9.256 8.108 -0.351 1.00 0.59 C ATOM 209 CG PHE A 16 -9.706 7.118 -1.395 1.00 0.62 C ATOM 210 CD1 PHE A 16 -10.830 7.371 -2.168 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.008 5.939 -1.599 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.248 6.466 -3.124 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.422 5.031 -2.556 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.527 5.288 -3.319 1.00 0.91 C ATOM 0 H PHE A 16 -8.292 9.012 1.678 1.00 0.61 H new ATOM 0 HA PHE A 16 -10.951 8.453 0.928 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.409 9.117 -0.734 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.185 7.987 -0.191 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.384 8.286 -2.021 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.132 5.727 -1.005 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.128 6.669 -3.717 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -8.870 4.114 -2.702 1.00 0.85 H new ATOM 0 HZ PHE A 16 -10.841 4.580 -4.072 1.00 0.91 H new ATOM 224 N LEU A 17 -9.134 5.925 1.904 1.00 0.56 N ATOM 225 CA LEU A 17 -9.130 4.534 2.322 1.00 0.67 C ATOM 226 C LEU A 17 -10.293 4.259 3.272 1.00 0.79 C ATOM 227 O LEU A 17 -11.044 3.293 3.101 1.00 0.87 O ATOM 228 CB LEU A 17 -7.806 4.258 3.038 1.00 0.74 C ATOM 229 CG LEU A 17 -7.304 2.825 3.014 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.015 2.389 1.590 1.00 0.96 C ATOM 231 CD2 LEU A 17 -6.059 2.685 3.876 1.00 1.43 C ATOM 0 H LEU A 17 -8.255 6.409 2.086 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.239 3.886 1.452 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.040 4.894 2.595 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -7.912 4.564 4.079 1.00 0.74 H new ATOM 0 HG LEU A 17 -8.081 2.179 3.422 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.656 1.360 1.590 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -7.927 2.455 0.997 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.254 3.039 1.158 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.712 1.652 3.848 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.277 3.341 3.495 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -6.295 2.961 4.904 1.00 1.43 H new ATOM 243 N GLN A 18 -10.449 5.131 4.257 1.00 0.87 N ATOM 244 CA GLN A 18 -11.399 4.926 5.316 1.00 1.07 C ATOM 245 C GLN A 18 -12.725 5.609 5.017 1.00 1.09 C ATOM 246 O GLN A 18 -13.779 4.977 5.050 1.00 1.20 O ATOM 247 CB GLN A 18 -10.812 5.467 6.617 1.00 1.25 C ATOM 248 CG GLN A 18 -11.735 5.290 7.790 1.00 1.08 C ATOM 249 CD GLN A 18 -11.231 5.957 9.056 1.00 1.33 C ATOM 250 OE1 GLN A 18 -9.918 6.020 9.219 1.00 1.73 O flip ATOM 251 NE2 GLN A 18 -12.018 6.408 9.885 1.00 2.00 N flip ATOM 0 H GLN A 18 -9.916 5.997 4.336 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.595 3.858 5.407 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -9.869 4.961 6.823 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -10.585 6.526 6.495 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.714 5.698 7.538 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -11.872 4.225 7.978 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -13.023 6.341 9.724 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -11.666 6.850 10.734 1.00 2.00 H new ATOM 260 N LYS A 19 -12.673 6.894 4.724 1.00 1.06 N ATOM 261 CA LYS A 19 -13.891 7.676 4.556 1.00 1.21 C ATOM 262 C LYS A 19 -14.198 7.899 3.080 1.00 1.34 C ATOM 263 O LYS A 19 -15.361 7.942 2.671 1.00 2.08 O ATOM 264 CB LYS A 19 -13.756 9.006 5.300 1.00 1.41 C ATOM 265 CG LYS A 19 -13.401 8.815 6.766 1.00 1.98 C ATOM 266 CD LYS A 19 -13.293 10.128 7.518 1.00 2.69 C ATOM 267 CE LYS A 19 -12.829 9.883 8.945 1.00 3.29 C ATOM 268 NZ LYS A 19 -12.787 11.123 9.763 1.00 4.09 N ATOM 0 H LYS A 19 -11.808 7.420 4.597 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.728 7.121 4.981 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -12.989 9.612 4.819 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -14.693 9.558 5.224 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -14.158 8.190 7.240 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -12.454 8.280 6.840 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -12.592 10.790 7.009 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -14.260 10.632 7.524 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -13.496 9.164 9.420 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -11.836 9.433 8.926 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -12.464 10.894 10.725 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -12.130 11.803 9.330 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -13.738 11.542 9.808 1.00 4.09 H new ATOM 282 N GLY A 20 -13.153 8.035 2.284 1.00 1.18 N ATOM 283 CA GLY A 20 -13.324 8.198 0.855 1.00 1.47 C ATOM 284 C GLY A 20 -13.640 9.625 0.468 1.00 1.29 C ATOM 285 O GLY A 20 -13.665 10.516 1.317 1.00 1.99 O ATOM 0 H GLY A 20 -12.184 8.036 2.602 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -12.415 7.880 0.345 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -14.127 7.546 0.512 1.00 1.47 H new ATOM 289 N GLY A 21 -13.883 9.843 -0.815 1.00 1.10 N ATOM 290 CA GLY A 21 -14.218 11.167 -1.291 1.00 1.37 C ATOM 291 C GLY A 21 -13.209 11.713 -2.277 1.00 1.26 C ATOM 292 O GLY A 21 -13.579 12.193 -3.348 1.00 1.79 O ATOM 0 H GLY A 21 -13.854 9.123 -1.537 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -15.200 11.140 -1.762 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -14.291 11.845 -0.441 1.00 1.37 H new ATOM 296 N VAL A 22 -11.932 11.632 -1.930 1.00 1.14 N ATOM 297 CA VAL A 22 -10.886 12.209 -2.764 1.00 1.00 C ATOM 298 C VAL A 22 -9.533 11.553 -2.493 1.00 0.82 C ATOM 299 O VAL A 22 -9.234 11.170 -1.361 1.00 0.87 O ATOM 300 CB VAL A 22 -10.778 13.734 -2.528 1.00 1.11 C ATOM 301 CG1 VAL A 22 -10.432 14.036 -1.076 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.765 14.370 -3.471 1.00 1.28 C ATOM 0 H VAL A 22 -11.596 11.175 -1.082 1.00 1.14 H new ATOM 0 HA VAL A 22 -11.159 12.024 -3.803 1.00 1.00 H new ATOM 0 HB VAL A 22 -11.752 14.172 -2.743 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -10.362 15.115 -0.935 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -11.210 13.635 -0.426 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -9.477 13.575 -0.826 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.713 15.442 -3.280 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -8.784 13.924 -3.306 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -10.072 14.200 -4.503 1.00 1.28 H new ATOM 312 N VAL A 23 -8.737 11.397 -3.542 1.00 0.71 N ATOM 313 CA VAL A 23 -7.368 10.928 -3.399 1.00 0.58 C ATOM 314 C VAL A 23 -6.392 12.079 -3.605 1.00 0.54 C ATOM 315 O VAL A 23 -6.347 12.687 -4.677 1.00 0.58 O ATOM 316 CB VAL A 23 -7.024 9.797 -4.389 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.572 9.365 -4.226 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.948 8.612 -4.183 1.00 0.69 C ATOM 0 H VAL A 23 -9.018 11.589 -4.503 1.00 0.71 H new ATOM 0 HA VAL A 23 -7.278 10.530 -2.388 1.00 0.58 H new ATOM 0 HB VAL A 23 -7.162 10.176 -5.402 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.348 8.566 -4.933 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.916 10.214 -4.418 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -5.411 9.005 -3.210 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.691 7.823 -4.890 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.838 8.237 -3.165 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.980 8.923 -4.345 1.00 0.69 H new ATOM 328 N PRO A 24 -5.607 12.399 -2.574 1.00 0.54 N ATOM 329 CA PRO A 24 -4.598 13.451 -2.648 1.00 0.58 C ATOM 330 C PRO A 24 -3.344 13.000 -3.402 1.00 0.55 C ATOM 331 O PRO A 24 -2.953 11.828 -3.337 1.00 0.47 O ATOM 332 CB PRO A 24 -4.274 13.720 -1.178 1.00 0.67 C ATOM 333 CG PRO A 24 -4.532 12.422 -0.491 1.00 0.81 C ATOM 334 CD PRO A 24 -5.650 11.759 -1.244 1.00 0.59 C ATOM 0 HA PRO A 24 -4.953 14.327 -3.191 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -3.238 14.036 -1.052 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.901 14.514 -0.773 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.639 11.797 -0.493 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -4.807 12.582 0.551 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -5.502 10.681 -1.314 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -6.611 11.917 -0.755 1.00 0.59 H new ATOM 342 N PRO A 25 -2.679 13.933 -4.106 1.00 0.65 N ATOM 343 CA PRO A 25 -1.446 13.653 -4.862 1.00 0.67 C ATOM 344 C PRO A 25 -0.262 13.381 -3.939 1.00 0.66 C ATOM 345 O PRO A 25 0.854 13.145 -4.385 1.00 0.71 O ATOM 346 CB PRO A 25 -1.202 14.940 -5.665 1.00 0.81 C ATOM 347 CG PRO A 25 -2.451 15.746 -5.531 1.00 1.03 C ATOM 348 CD PRO A 25 -3.076 15.341 -4.230 1.00 0.81 C ATOM 0 HA PRO A 25 -1.548 12.764 -5.485 1.00 0.67 H new ATOM 0 HB2 PRO A 25 -0.341 15.485 -5.278 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.992 14.715 -6.711 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -2.228 16.813 -5.540 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -3.128 15.555 -6.364 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.706 15.941 -3.399 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -4.160 15.456 -4.248 1.00 0.81 H new ATOM 356 N SER A 26 -0.531 13.402 -2.650 1.00 0.68 N ATOM 357 CA SER A 26 0.474 13.145 -1.635 1.00 0.73 C ATOM 358 C SER A 26 0.430 11.672 -1.301 1.00 0.65 C ATOM 359 O SER A 26 1.452 11.004 -1.166 1.00 0.68 O ATOM 360 CB SER A 26 0.169 13.969 -0.390 1.00 0.83 C ATOM 361 OG SER A 26 -0.129 15.312 -0.733 1.00 0.91 O ATOM 0 H SER A 26 -1.458 13.599 -2.273 1.00 0.68 H new ATOM 0 HA SER A 26 1.464 13.421 -1.999 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.674 13.530 0.144 1.00 0.83 H new ATOM 0 HB3 SER A 26 1.023 13.943 0.286 1.00 0.83 H new ATOM 0 HG SER A 26 -0.323 15.822 0.081 1.00 0.91 H new ATOM 367 N CYS A 27 -0.794 11.186 -1.194 1.00 0.58 N ATOM 368 CA CYS A 27 -1.073 9.780 -1.001 1.00 0.55 C ATOM 369 C CYS A 27 -0.563 8.984 -2.190 1.00 0.47 C ATOM 370 O CYS A 27 0.121 7.976 -2.026 1.00 0.48 O ATOM 371 CB CYS A 27 -2.590 9.616 -0.823 1.00 0.57 C ATOM 372 SG CYS A 27 -3.329 8.138 -1.597 1.00 0.74 S ATOM 0 H CYS A 27 -1.631 11.767 -1.240 1.00 0.58 H new ATOM 0 HA CYS A 27 -0.565 9.402 -0.114 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.810 9.592 0.244 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -3.082 10.500 -1.230 1.00 0.57 H new ATOM 377 N CYS A 28 -0.855 9.461 -3.391 1.00 0.42 N ATOM 378 CA CYS A 28 -0.441 8.756 -4.586 1.00 0.40 C ATOM 379 C CYS A 28 1.059 8.864 -4.823 1.00 0.45 C ATOM 380 O CYS A 28 1.693 7.902 -5.250 1.00 0.50 O ATOM 381 CB CYS A 28 -1.231 9.221 -5.800 1.00 0.45 C ATOM 382 SG CYS A 28 -2.821 8.358 -5.953 1.00 1.40 S ATOM 0 H CYS A 28 -1.372 10.324 -3.559 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.661 7.700 -4.429 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -1.407 10.294 -5.728 1.00 0.45 H new ATOM 0 HB3 CYS A 28 -0.641 9.055 -6.701 1.00 0.45 H new ATOM 387 N THR A 29 1.626 10.024 -4.527 1.00 0.51 N ATOM 388 CA THR A 29 3.064 10.210 -4.627 1.00 0.58 C ATOM 389 C THR A 29 3.800 9.351 -3.598 1.00 0.54 C ATOM 390 O THR A 29 4.829 8.748 -3.904 1.00 0.56 O ATOM 391 CB THR A 29 3.436 11.698 -4.445 1.00 0.72 C ATOM 392 OG1 THR A 29 3.082 12.431 -5.627 1.00 0.79 O ATOM 393 CG2 THR A 29 4.915 11.881 -4.142 1.00 0.77 C ATOM 0 H THR A 29 1.113 10.849 -4.216 1.00 0.51 H new ATOM 0 HA THR A 29 3.374 9.893 -5.623 1.00 0.58 H new ATOM 0 HB THR A 29 2.878 12.081 -3.591 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.245 12.917 -5.472 1.00 0.79 H new ATOM 0 HG21 THR A 29 5.133 12.942 -4.021 1.00 0.77 H new ATOM 0 HG22 THR A 29 5.166 11.352 -3.223 1.00 0.77 H new ATOM 0 HG23 THR A 29 5.507 11.480 -4.965 1.00 0.77 H new ATOM 401 N GLY A 30 3.250 9.280 -2.393 1.00 0.54 N ATOM 402 CA GLY A 30 3.886 8.532 -1.332 1.00 0.57 C ATOM 403 C GLY A 30 3.807 7.043 -1.528 1.00 0.47 C ATOM 404 O GLY A 30 4.816 6.356 -1.463 1.00 0.51 O ATOM 0 H GLY A 30 2.372 9.729 -2.133 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.933 8.828 -1.264 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.419 8.792 -0.382 1.00 0.57 H new ATOM 408 N VAL A 31 2.610 6.535 -1.763 1.00 0.41 N ATOM 409 CA VAL A 31 2.433 5.105 -1.945 1.00 0.44 C ATOM 410 C VAL A 31 3.179 4.633 -3.185 1.00 0.39 C ATOM 411 O VAL A 31 3.591 3.474 -3.276 1.00 0.40 O ATOM 412 CB VAL A 31 0.951 4.725 -2.049 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.806 3.241 -2.277 1.00 0.68 C ATOM 414 CG2 VAL A 31 0.213 5.127 -0.791 1.00 0.65 C ATOM 0 H VAL A 31 1.754 7.085 -1.832 1.00 0.41 H new ATOM 0 HA VAL A 31 2.845 4.609 -1.066 1.00 0.44 H new ATOM 0 HB VAL A 31 0.518 5.257 -2.896 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.251 2.986 -2.349 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.310 2.964 -3.203 1.00 0.68 H new ATOM 0 HG13 VAL A 31 1.254 2.699 -1.444 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -0.837 4.850 -0.881 1.00 0.65 H new ATOM 0 HG22 VAL A 31 0.651 4.616 0.067 1.00 0.65 H new ATOM 0 HG23 VAL A 31 0.293 6.205 -0.651 1.00 0.65 H new ATOM 424 N LYS A 32 3.374 5.540 -4.131 1.00 0.40 N ATOM 425 CA LYS A 32 4.200 5.245 -5.283 1.00 0.46 C ATOM 426 C LYS A 32 5.614 4.884 -4.825 1.00 0.44 C ATOM 427 O LYS A 32 6.321 4.137 -5.505 1.00 0.49 O ATOM 428 CB LYS A 32 4.216 6.422 -6.268 1.00 0.58 C ATOM 429 CG LYS A 32 5.078 6.173 -7.497 1.00 1.05 C ATOM 430 CD LYS A 32 4.786 7.161 -8.617 1.00 1.14 C ATOM 431 CE LYS A 32 3.437 6.894 -9.265 1.00 1.31 C ATOM 432 NZ LYS A 32 3.250 7.693 -10.505 1.00 1.54 N ATOM 0 H LYS A 32 2.973 6.478 -4.121 1.00 0.40 H new ATOM 0 HA LYS A 32 3.776 4.390 -5.810 1.00 0.46 H new ATOM 0 HB2 LYS A 32 3.195 6.633 -6.587 1.00 0.58 H new ATOM 0 HB3 LYS A 32 4.579 7.311 -5.753 1.00 0.58 H new ATOM 0 HG2 LYS A 32 6.130 6.242 -7.220 1.00 1.05 H new ATOM 0 HG3 LYS A 32 4.909 5.158 -7.857 1.00 1.05 H new ATOM 0 HD2 LYS A 32 4.805 8.176 -8.221 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.571 7.099 -9.371 1.00 1.14 H new ATOM 0 HE2 LYS A 32 3.351 5.833 -9.500 1.00 1.31 H new ATOM 0 HE3 LYS A 32 2.642 7.129 -8.558 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 2.318 7.482 -10.916 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 3.307 8.706 -10.277 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 3.994 7.450 -11.190 1.00 1.54 H new ATOM 446 N ASN A 33 6.019 5.375 -3.651 1.00 0.41 N ATOM 447 CA ASN A 33 7.309 4.980 -3.101 1.00 0.44 C ATOM 448 C ASN A 33 7.257 3.535 -2.621 1.00 0.39 C ATOM 449 O ASN A 33 8.132 2.744 -2.935 1.00 0.46 O ATOM 450 CB ASN A 33 7.734 5.878 -1.935 1.00 0.52 C ATOM 451 CG ASN A 33 9.130 5.544 -1.438 1.00 1.19 C ATOM 452 OD1 ASN A 33 9.304 4.704 -0.554 1.00 2.11 O ATOM 453 ND2 ASN A 33 10.135 6.205 -1.989 1.00 1.58 N ATOM 0 H ASN A 33 5.485 6.030 -3.079 1.00 0.41 H new ATOM 0 HA ASN A 33 8.043 5.084 -3.900 1.00 0.44 H new ATOM 0 HB2 ASN A 33 7.701 6.921 -2.250 1.00 0.52 H new ATOM 0 HB3 ASN A 33 7.022 5.770 -1.116 1.00 0.52 H new ATOM 0 HD21 ASN A 33 11.092 6.026 -1.684 1.00 1.58 H new ATOM 0 HD22 ASN A 33 9.953 6.894 -2.719 1.00 1.58 H new ATOM 460 N ILE A 34 6.215 3.187 -1.884 1.00 0.36 N ATOM 461 CA ILE A 34 6.132 1.869 -1.269 1.00 0.40 C ATOM 462 C ILE A 34 5.832 0.776 -2.287 1.00 0.48 C ATOM 463 O ILE A 34 6.084 -0.403 -2.041 1.00 0.57 O ATOM 464 CB ILE A 34 5.092 1.859 -0.117 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.723 1.270 1.134 1.00 0.61 C ATOM 466 CG2 ILE A 34 3.827 1.080 -0.475 1.00 0.65 C ATOM 467 CD1 ILE A 34 7.107 1.803 1.421 1.00 0.58 C ATOM 0 H ILE A 34 5.417 3.794 -1.697 1.00 0.36 H new ATOM 0 HA ILE A 34 7.113 1.650 -0.847 1.00 0.40 H new ATOM 0 HB ILE A 34 4.793 2.892 0.061 1.00 0.48 H new ATOM 0 HG12 ILE A 34 5.078 1.477 1.988 1.00 0.61 H new ATOM 0 HG13 ILE A 34 5.774 0.186 1.029 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.134 1.105 0.366 1.00 0.65 H new ATOM 0 HG22 ILE A 34 3.356 1.533 -1.347 1.00 0.65 H new ATOM 0 HG23 ILE A 34 4.088 0.046 -0.699 1.00 0.65 H new ATOM 0 HD11 ILE A 34 7.495 1.339 2.328 1.00 0.58 H new ATOM 0 HD12 ILE A 34 7.766 1.572 0.584 1.00 0.58 H new ATOM 0 HD13 ILE A 34 7.060 2.883 1.558 1.00 0.58 H new ATOM 479 N LEU A 35 5.321 1.172 -3.433 1.00 0.56 N ATOM 480 CA LEU A 35 4.937 0.218 -4.454 1.00 0.79 C ATOM 481 C LEU A 35 5.959 0.158 -5.577 1.00 0.93 C ATOM 482 O LEU A 35 6.374 -0.920 -6.006 1.00 1.31 O ATOM 483 CB LEU A 35 3.569 0.599 -5.008 1.00 1.04 C ATOM 484 CG LEU A 35 2.517 -0.489 -4.884 1.00 1.16 C ATOM 485 CD1 LEU A 35 2.352 -0.908 -3.428 1.00 1.36 C ATOM 486 CD2 LEU A 35 1.196 -0.019 -5.458 1.00 1.93 C ATOM 0 H LEU A 35 5.161 2.148 -3.682 1.00 0.56 H new ATOM 0 HA LEU A 35 4.891 -0.772 -4.001 1.00 0.79 H new ATOM 0 HB2 LEU A 35 3.216 1.490 -4.489 1.00 1.04 H new ATOM 0 HB3 LEU A 35 3.677 0.865 -6.060 1.00 1.04 H new ATOM 0 HG LEU A 35 2.849 -1.356 -5.455 1.00 1.16 H new ATOM 0 HD11 LEU A 35 1.594 -1.688 -3.358 1.00 1.36 H new ATOM 0 HD12 LEU A 35 3.301 -1.288 -3.049 1.00 1.36 H new ATOM 0 HD13 LEU A 35 2.043 -0.048 -2.835 1.00 1.36 H new ATOM 0 HD21 LEU A 35 0.454 -0.812 -5.360 1.00 1.93 H new ATOM 0 HD22 LEU A 35 0.857 0.864 -4.916 1.00 1.93 H new ATOM 0 HD23 LEU A 35 1.325 0.230 -6.511 1.00 1.93 H new ATOM 498 N ASN A 36 6.344 1.318 -6.061 1.00 0.89 N ATOM 499 CA ASN A 36 7.300 1.408 -7.157 1.00 1.06 C ATOM 500 C ASN A 36 8.721 1.621 -6.648 1.00 1.01 C ATOM 501 O ASN A 36 9.658 0.952 -7.095 1.00 1.13 O ATOM 502 CB ASN A 36 6.917 2.552 -8.102 1.00 1.21 C ATOM 503 CG ASN A 36 7.926 2.757 -9.217 1.00 1.58 C ATOM 504 OD1 ASN A 36 7.880 2.084 -10.245 1.00 2.45 O ATOM 505 ND2 ASN A 36 8.831 3.709 -9.033 1.00 1.81 N ATOM 0 H ASN A 36 6.012 2.218 -5.716 1.00 0.89 H new ATOM 0 HA ASN A 36 7.270 0.461 -7.696 1.00 1.06 H new ATOM 0 HB2 ASN A 36 5.939 2.346 -8.537 1.00 1.21 H new ATOM 0 HB3 ASN A 36 6.823 3.474 -7.529 1.00 1.21 H new ATOM 0 HD21 ASN A 36 9.521 3.904 -9.759 1.00 1.81 H new ATOM 0 HD22 ASN A 36 8.837 4.246 -8.166 1.00 1.81 H new ATOM 512 N SER A 37 8.878 2.546 -5.714 1.00 0.90 N ATOM 513 CA SER A 37 10.202 2.968 -5.269 1.00 0.98 C ATOM 514 C SER A 37 10.748 2.091 -4.138 1.00 0.84 C ATOM 515 O SER A 37 11.803 2.394 -3.577 1.00 0.94 O ATOM 516 CB SER A 37 10.156 4.429 -4.822 1.00 1.05 C ATOM 517 OG SER A 37 9.649 5.260 -5.854 1.00 1.55 O ATOM 0 H SER A 37 8.105 3.021 -5.247 1.00 0.90 H new ATOM 0 HA SER A 37 10.880 2.858 -6.116 1.00 0.98 H new ATOM 0 HB2 SER A 37 9.530 4.522 -3.935 1.00 1.05 H new ATOM 0 HB3 SER A 37 11.156 4.759 -4.542 1.00 1.05 H new ATOM 0 HG SER A 37 9.627 6.190 -5.544 1.00 1.55 H new ATOM 523 N SER A 38 10.026 1.027 -3.785 1.00 0.67 N ATOM 524 CA SER A 38 10.549 0.019 -2.873 1.00 0.58 C ATOM 525 C SER A 38 11.831 -0.537 -3.471 1.00 0.67 C ATOM 526 O SER A 38 11.808 -1.303 -4.435 1.00 1.22 O ATOM 527 CB SER A 38 9.484 -1.050 -2.636 1.00 0.54 C ATOM 528 OG SER A 38 9.120 -1.673 -3.854 1.00 1.43 O ATOM 0 H SER A 38 9.079 0.844 -4.118 1.00 0.67 H new ATOM 0 HA SER A 38 10.789 0.441 -1.897 1.00 0.58 H new ATOM 0 HB2 SER A 38 9.861 -1.797 -1.938 1.00 0.54 H new ATOM 0 HB3 SER A 38 8.605 -0.599 -2.176 1.00 0.54 H new ATOM 0 HG SER A 38 9.910 -1.758 -4.427 1.00 1.43 H new ATOM 534 N ARG A 39 12.940 -0.101 -2.893 1.00 0.87 N ATOM 535 CA ARG A 39 14.256 -0.181 -3.519 1.00 1.08 C ATOM 536 C ARG A 39 14.625 -1.586 -3.964 1.00 0.84 C ATOM 537 O ARG A 39 14.538 -1.922 -5.146 1.00 1.22 O ATOM 538 CB ARG A 39 15.309 0.351 -2.548 1.00 1.40 C ATOM 539 CG ARG A 39 15.103 1.812 -2.182 1.00 1.90 C ATOM 540 CD ARG A 39 15.806 2.164 -0.887 1.00 2.25 C ATOM 541 NE ARG A 39 15.354 1.320 0.217 1.00 2.89 N ATOM 542 CZ ARG A 39 16.040 1.139 1.339 1.00 3.60 C ATOM 543 NH1 ARG A 39 17.162 1.810 1.552 1.00 3.87 N ATOM 544 NH2 ARG A 39 15.591 0.301 2.260 1.00 4.47 N ATOM 0 H ARG A 39 12.954 0.324 -1.966 1.00 0.87 H new ATOM 0 HA ARG A 39 14.220 0.429 -4.421 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.292 -0.250 -1.639 1.00 1.40 H new ATOM 0 HB3 ARG A 39 16.297 0.230 -2.992 1.00 1.40 H new ATOM 0 HG2 ARG A 39 15.479 2.446 -2.985 1.00 1.90 H new ATOM 0 HG3 ARG A 39 14.037 2.017 -2.086 1.00 1.90 H new ATOM 0 HD2 ARG A 39 16.883 2.052 -1.015 1.00 2.25 H new ATOM 0 HD3 ARG A 39 15.621 3.211 -0.645 1.00 2.25 H new ATOM 0 HE ARG A 39 14.458 0.842 0.120 1.00 2.89 H new ATOM 0 HH11 ARG A 39 17.503 2.469 0.852 1.00 3.87 H new ATOM 0 HH12 ARG A 39 17.685 1.667 2.416 1.00 3.87 H new ATOM 0 HH21 ARG A 39 14.719 -0.205 2.107 1.00 4.47 H new ATOM 0 HH22 ARG A 39 16.117 0.161 3.122 1.00 4.47 H new ATOM 558 N THR A 40 15.038 -2.393 -3.016 1.00 0.62 N ATOM 559 CA THR A 40 15.562 -3.703 -3.314 1.00 0.70 C ATOM 560 C THR A 40 14.543 -4.773 -2.973 1.00 0.75 C ATOM 561 O THR A 40 13.461 -4.466 -2.476 1.00 0.61 O ATOM 562 CB THR A 40 16.853 -3.932 -2.513 1.00 0.88 C ATOM 563 OG1 THR A 40 16.591 -3.737 -1.117 1.00 1.59 O ATOM 564 CG2 THR A 40 17.938 -2.961 -2.960 1.00 1.25 C ATOM 0 H THR A 40 15.020 -2.162 -2.023 1.00 0.62 H new ATOM 0 HA THR A 40 15.780 -3.763 -4.380 1.00 0.70 H new ATOM 0 HB THR A 40 17.196 -4.952 -2.689 1.00 0.88 H new ATOM 0 HG1 THR A 40 17.414 -3.885 -0.606 1.00 1.59 H new ATOM 0 HG21 THR A 40 18.845 -3.138 -2.382 1.00 1.25 H new ATOM 0 HG22 THR A 40 18.147 -3.112 -4.019 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.599 -1.938 -2.799 1.00 1.25 H new ATOM 572 N THR A 41 14.884 -6.020 -3.236 1.00 1.03 N ATOM 573 CA THR A 41 14.034 -7.135 -2.868 1.00 1.16 C ATOM 574 C THR A 41 13.808 -7.145 -1.362 1.00 1.04 C ATOM 575 O THR A 41 12.701 -7.390 -0.895 1.00 0.97 O ATOM 576 CB THR A 41 14.670 -8.462 -3.281 1.00 1.58 C ATOM 577 OG1 THR A 41 15.082 -8.393 -4.653 1.00 1.79 O ATOM 578 CG2 THR A 41 13.700 -9.619 -3.095 1.00 1.73 C ATOM 0 H THR A 41 15.749 -6.287 -3.706 1.00 1.03 H new ATOM 0 HA THR A 41 13.082 -7.017 -3.386 1.00 1.16 H new ATOM 0 HB THR A 41 15.536 -8.638 -2.643 1.00 1.58 H new ATOM 0 HG1 THR A 41 15.491 -9.244 -4.915 1.00 1.79 H new ATOM 0 HG21 THR A 41 14.181 -10.549 -3.397 1.00 1.73 H new ATOM 0 HG22 THR A 41 13.409 -9.685 -2.047 1.00 1.73 H new ATOM 0 HG23 THR A 41 12.814 -9.453 -3.708 1.00 1.73 H new ATOM 586 N ALA A 42 14.866 -6.849 -0.615 1.00 1.12 N ATOM 587 CA ALA A 42 14.789 -6.780 0.838 1.00 1.18 C ATOM 588 C ALA A 42 13.857 -5.659 1.287 1.00 0.98 C ATOM 589 O ALA A 42 13.353 -5.672 2.410 1.00 1.13 O ATOM 590 CB ALA A 42 16.175 -6.584 1.434 1.00 1.41 C ATOM 0 H ALA A 42 15.792 -6.652 -0.995 1.00 1.12 H new ATOM 0 HA ALA A 42 14.381 -7.724 1.198 1.00 1.18 H new ATOM 0 HB1 ALA A 42 16.100 -6.534 2.520 1.00 1.41 H new ATOM 0 HB2 ALA A 42 16.814 -7.421 1.152 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.605 -5.656 1.057 1.00 1.41 H new ATOM 596 N ASP A 43 13.615 -4.698 0.398 1.00 0.74 N ATOM 597 CA ASP A 43 12.751 -3.574 0.710 1.00 0.67 C ATOM 598 C ASP A 43 11.326 -3.918 0.283 1.00 0.64 C ATOM 599 O ASP A 43 10.370 -3.642 0.997 1.00 0.93 O ATOM 600 CB ASP A 43 13.265 -2.322 -0.015 1.00 0.63 C ATOM 601 CG ASP A 43 12.828 -1.015 0.624 1.00 1.00 C ATOM 602 OD1 ASP A 43 13.164 -0.783 1.803 1.00 1.18 O ATOM 603 OD2 ASP A 43 12.081 -0.249 -0.029 1.00 1.72 O ATOM 0 H ASP A 43 14.008 -4.680 -0.543 1.00 0.74 H new ATOM 0 HA ASP A 43 12.755 -3.370 1.781 1.00 0.67 H new ATOM 0 HB2 ASP A 43 14.354 -2.354 -0.045 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.917 -2.344 -1.048 1.00 0.63 H new ATOM 608 N ARG A 44 11.217 -4.589 -0.865 1.00 0.54 N ATOM 609 CA ARG A 44 9.924 -4.981 -1.438 1.00 0.61 C ATOM 610 C ARG A 44 9.285 -6.130 -0.659 1.00 0.67 C ATOM 611 O ARG A 44 8.098 -6.105 -0.335 1.00 0.93 O ATOM 612 CB ARG A 44 10.111 -5.404 -2.896 1.00 0.76 C ATOM 613 CG ARG A 44 10.613 -4.289 -3.798 1.00 1.39 C ATOM 614 CD ARG A 44 10.969 -4.792 -5.187 1.00 1.53 C ATOM 615 NE ARG A 44 9.874 -5.534 -5.812 1.00 1.70 N ATOM 616 CZ ARG A 44 9.019 -5.018 -6.694 1.00 2.01 C ATOM 617 NH1 ARG A 44 9.089 -3.738 -7.040 1.00 2.34 N ATOM 618 NH2 ARG A 44 8.101 -5.798 -7.246 1.00 2.70 N ATOM 0 H ARG A 44 12.020 -4.877 -1.424 1.00 0.54 H new ATOM 0 HA ARG A 44 9.261 -4.118 -1.378 1.00 0.61 H new ATOM 0 HB2 ARG A 44 10.814 -6.236 -2.936 1.00 0.76 H new ATOM 0 HB3 ARG A 44 9.161 -5.772 -3.283 1.00 0.76 H new ATOM 0 HG2 ARG A 44 9.848 -3.516 -3.878 1.00 1.39 H new ATOM 0 HG3 ARG A 44 11.489 -3.825 -3.346 1.00 1.39 H new ATOM 0 HD2 ARG A 44 11.237 -3.945 -5.819 1.00 1.53 H new ATOM 0 HD3 ARG A 44 11.848 -5.433 -5.123 1.00 1.53 H new ATOM 0 HE ARG A 44 9.757 -6.514 -5.555 1.00 1.70 H new ATOM 0 HH11 ARG A 44 9.804 -3.137 -6.629 1.00 2.34 H new ATOM 0 HH12 ARG A 44 8.428 -3.356 -7.716 1.00 2.34 H new ATOM 0 HH21 ARG A 44 8.053 -6.785 -6.995 1.00 2.70 H new ATOM 0 HH22 ARG A 44 7.443 -5.411 -7.922 1.00 2.70 H new ATOM 632 N ARG A 45 10.091 -7.132 -0.360 1.00 0.66 N ATOM 633 CA ARG A 45 9.629 -8.334 0.326 1.00 0.72 C ATOM 634 C ARG A 45 9.383 -8.046 1.806 1.00 0.76 C ATOM 635 O ARG A 45 8.874 -8.886 2.555 1.00 1.28 O ATOM 636 CB ARG A 45 10.681 -9.427 0.125 1.00 0.88 C ATOM 637 CG ARG A 45 10.362 -10.762 0.762 1.00 1.16 C ATOM 638 CD ARG A 45 9.119 -11.409 0.182 1.00 1.34 C ATOM 639 NE ARG A 45 9.085 -12.833 0.495 1.00 1.99 N ATOM 640 CZ ARG A 45 8.547 -13.343 1.600 1.00 2.61 C ATOM 641 NH1 ARG A 45 7.883 -12.558 2.441 1.00 2.84 N ATOM 642 NH2 ARG A 45 8.648 -14.644 1.844 1.00 3.54 N ATOM 0 H ARG A 45 11.086 -7.140 -0.584 1.00 0.66 H new ATOM 0 HA ARG A 45 8.678 -8.670 -0.088 1.00 0.72 H new ATOM 0 HB2 ARG A 45 10.822 -9.579 -0.945 1.00 0.88 H new ATOM 0 HB3 ARG A 45 11.631 -9.071 0.524 1.00 0.88 H new ATOM 0 HG2 ARG A 45 11.210 -11.434 0.631 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.227 -10.624 1.835 1.00 1.16 H new ATOM 0 HD2 ARG A 45 8.229 -10.922 0.582 1.00 1.34 H new ATOM 0 HD3 ARG A 45 9.101 -11.269 -0.899 1.00 1.34 H new ATOM 0 HE ARG A 45 9.500 -13.479 -0.176 1.00 1.99 H new ATOM 0 HH11 ARG A 45 7.785 -11.563 2.240 1.00 2.84 H new ATOM 0 HH12 ARG A 45 7.471 -12.950 3.288 1.00 2.84 H new ATOM 0 HH21 ARG A 45 9.137 -15.250 1.185 1.00 3.54 H new ATOM 0 HH22 ARG A 45 8.237 -15.038 2.690 1.00 3.54 H new ATOM 656 N ALA A 46 9.746 -6.845 2.216 1.00 0.51 N ATOM 657 CA ALA A 46 9.457 -6.368 3.554 1.00 0.53 C ATOM 658 C ALA A 46 8.195 -5.506 3.566 1.00 0.44 C ATOM 659 O ALA A 46 7.354 -5.649 4.456 1.00 0.53 O ATOM 660 CB ALA A 46 10.637 -5.595 4.112 1.00 0.64 C ATOM 0 H ALA A 46 10.248 -6.175 1.633 1.00 0.51 H new ATOM 0 HA ALA A 46 9.281 -7.235 4.191 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.400 -5.245 5.117 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.512 -6.244 4.150 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.848 -4.739 3.470 1.00 0.64 H new ATOM 666 N VAL A 47 8.054 -4.614 2.582 1.00 0.35 N ATOM 667 CA VAL A 47 6.877 -3.746 2.520 1.00 0.38 C ATOM 668 C VAL A 47 5.598 -4.549 2.333 1.00 0.42 C ATOM 669 O VAL A 47 4.584 -4.259 2.971 1.00 0.50 O ATOM 670 CB VAL A 47 6.981 -2.644 1.430 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.555 -3.167 0.131 1.00 0.50 C ATOM 672 CG2 VAL A 47 5.624 -2.012 1.172 1.00 0.70 C ATOM 0 H VAL A 47 8.728 -4.475 1.829 1.00 0.35 H new ATOM 0 HA VAL A 47 6.839 -3.239 3.484 1.00 0.38 H new ATOM 0 HB VAL A 47 7.667 -1.890 1.816 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.606 -2.357 -0.596 1.00 0.50 H new ATOM 0 HG12 VAL A 47 8.556 -3.560 0.308 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.917 -3.962 -0.255 1.00 0.50 H new ATOM 0 HG21 VAL A 47 5.721 -1.243 0.405 1.00 0.70 H new ATOM 0 HG22 VAL A 47 4.925 -2.777 0.833 1.00 0.70 H new ATOM 0 HG23 VAL A 47 5.251 -1.562 2.092 1.00 0.70 H new ATOM 682 N CYS A 48 5.643 -5.571 1.488 1.00 0.44 N ATOM 683 CA CYS A 48 4.474 -6.427 1.279 1.00 0.56 C ATOM 684 C CYS A 48 4.013 -7.036 2.596 1.00 0.59 C ATOM 685 O CYS A 48 2.817 -7.272 2.802 1.00 0.68 O ATOM 686 CB CYS A 48 4.752 -7.533 0.253 1.00 0.68 C ATOM 687 SG CYS A 48 6.162 -8.629 0.643 1.00 1.78 S ATOM 0 H CYS A 48 6.464 -5.829 0.940 1.00 0.44 H new ATOM 0 HA CYS A 48 3.679 -5.797 0.881 1.00 0.56 H new ATOM 0 HB2 CYS A 48 3.856 -8.145 0.152 1.00 0.68 H new ATOM 0 HB3 CYS A 48 4.932 -7.069 -0.717 1.00 0.68 H new ATOM 692 N SER A 49 4.971 -7.283 3.478 1.00 0.59 N ATOM 693 CA SER A 49 4.683 -7.791 4.809 1.00 0.73 C ATOM 694 C SER A 49 3.986 -6.724 5.653 1.00 0.73 C ATOM 695 O SER A 49 2.929 -6.976 6.230 1.00 0.96 O ATOM 696 CB SER A 49 5.981 -8.252 5.478 1.00 0.84 C ATOM 697 OG SER A 49 5.743 -8.788 6.768 1.00 1.41 O ATOM 0 H SER A 49 5.963 -7.138 3.292 1.00 0.59 H new ATOM 0 HA SER A 49 4.009 -8.644 4.725 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.465 -9.004 4.855 1.00 0.84 H new ATOM 0 HB3 SER A 49 6.670 -7.411 5.555 1.00 0.84 H new ATOM 0 HG SER A 49 6.592 -9.074 7.165 1.00 1.41 H new ATOM 703 N CYS A 50 4.562 -5.528 5.703 1.00 0.57 N ATOM 704 CA CYS A 50 3.974 -4.432 6.472 1.00 0.60 C ATOM 705 C CYS A 50 2.596 -4.067 5.925 1.00 0.55 C ATOM 706 O CYS A 50 1.690 -3.746 6.688 1.00 0.59 O ATOM 707 CB CYS A 50 4.891 -3.208 6.472 1.00 0.63 C ATOM 708 SG CYS A 50 4.270 -1.800 7.460 1.00 1.11 S ATOM 0 H CYS A 50 5.431 -5.291 5.224 1.00 0.57 H new ATOM 0 HA CYS A 50 3.858 -4.770 7.502 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.869 -3.501 6.854 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.037 -2.878 5.443 1.00 0.63 H new ATOM 713 N LEU A 51 2.435 -4.133 4.600 1.00 0.51 N ATOM 714 CA LEU A 51 1.131 -3.941 3.961 1.00 0.55 C ATOM 715 C LEU A 51 0.047 -4.803 4.608 1.00 0.63 C ATOM 716 O LEU A 51 -1.120 -4.428 4.620 1.00 0.63 O ATOM 717 CB LEU A 51 1.212 -4.279 2.469 1.00 0.66 C ATOM 718 CG LEU A 51 1.988 -3.284 1.605 1.00 0.77 C ATOM 719 CD1 LEU A 51 2.145 -3.816 0.188 1.00 1.33 C ATOM 720 CD2 LEU A 51 1.283 -1.937 1.584 1.00 1.33 C ATOM 0 H LEU A 51 3.196 -4.319 3.947 1.00 0.51 H new ATOM 0 HA LEU A 51 0.863 -2.893 4.092 1.00 0.55 H new ATOM 0 HB2 LEU A 51 1.673 -5.261 2.362 1.00 0.66 H new ATOM 0 HB3 LEU A 51 0.198 -4.358 2.078 1.00 0.66 H new ATOM 0 HG LEU A 51 2.979 -3.153 2.039 1.00 0.77 H new ATOM 0 HD11 LEU A 51 2.700 -3.095 -0.412 1.00 1.33 H new ATOM 0 HD12 LEU A 51 2.687 -4.761 0.212 1.00 1.33 H new ATOM 0 HD13 LEU A 51 1.161 -3.974 -0.253 1.00 1.33 H new ATOM 0 HD21 LEU A 51 1.848 -1.240 0.965 1.00 1.33 H new ATOM 0 HD22 LEU A 51 0.281 -2.057 1.173 1.00 1.33 H new ATOM 0 HD23 LEU A 51 1.214 -1.547 2.599 1.00 1.33 H new ATOM 732 N LYS A 52 0.428 -5.956 5.149 1.00 0.80 N ATOM 733 CA LYS A 52 -0.544 -6.871 5.735 1.00 0.99 C ATOM 734 C LYS A 52 -0.999 -6.406 7.114 1.00 0.92 C ATOM 735 O LYS A 52 -1.972 -6.920 7.656 1.00 1.02 O ATOM 736 CB LYS A 52 0.026 -8.285 5.818 1.00 1.32 C ATOM 737 CG LYS A 52 0.453 -8.833 4.469 1.00 1.40 C ATOM 738 CD LYS A 52 -0.727 -8.955 3.523 1.00 1.78 C ATOM 739 CE LYS A 52 -0.267 -9.070 2.085 1.00 1.79 C ATOM 740 NZ LYS A 52 0.320 -7.796 1.591 1.00 2.30 N ATOM 0 H LYS A 52 1.395 -6.277 5.194 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.416 -6.879 5.081 1.00 0.99 H new ATOM 0 HB2 LYS A 52 0.883 -8.286 6.492 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -0.723 -8.948 6.253 1.00 1.32 H new ATOM 0 HG2 LYS A 52 1.207 -8.179 4.031 1.00 1.40 H new ATOM 0 HG3 LYS A 52 0.917 -9.810 4.602 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -1.320 -9.830 3.789 1.00 1.78 H new ATOM 0 HD3 LYS A 52 -1.375 -8.085 3.632 1.00 1.78 H new ATOM 0 HE2 LYS A 52 0.472 -9.867 2.002 1.00 1.79 H new ATOM 0 HE3 LYS A 52 -1.111 -9.350 1.454 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 0.546 -7.887 0.580 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 -0.363 -7.024 1.725 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 1.189 -7.585 2.122 1.00 2.30 H new ATOM 754 N ALA A 53 -0.293 -5.446 7.682 1.00 0.88 N ATOM 755 CA ALA A 53 -0.726 -4.841 8.933 1.00 0.95 C ATOM 756 C ALA A 53 -1.179 -3.409 8.700 1.00 0.91 C ATOM 757 O ALA A 53 -2.135 -2.950 9.309 1.00 1.10 O ATOM 758 CB ALA A 53 0.371 -4.890 9.980 1.00 1.06 C ATOM 0 H ALA A 53 0.576 -5.069 7.303 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.570 -5.418 9.310 1.00 0.95 H new ATOM 0 HB1 ALA A 53 0.015 -4.430 10.902 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.643 -5.928 10.174 1.00 1.06 H new ATOM 0 HB3 ALA A 53 1.244 -4.348 9.618 1.00 1.06 H new ATOM 764 N ALA A 54 -0.497 -2.713 7.802 1.00 0.79 N ATOM 765 CA ALA A 54 -0.868 -1.347 7.457 1.00 0.87 C ATOM 766 C ALA A 54 -2.209 -1.324 6.731 1.00 0.94 C ATOM 767 O ALA A 54 -3.096 -0.541 7.070 1.00 1.16 O ATOM 768 CB ALA A 54 0.215 -0.699 6.605 1.00 0.89 C ATOM 0 H ALA A 54 0.315 -3.070 7.299 1.00 0.79 H new ATOM 0 HA ALA A 54 -0.968 -0.774 8.379 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.079 0.321 6.357 1.00 0.89 H new ATOM 0 HB2 ALA A 54 1.153 -0.681 7.160 1.00 0.89 H new ATOM 0 HB3 ALA A 54 0.347 -1.272 5.687 1.00 0.89 H new ATOM 774 N ALA A 55 -2.361 -2.203 5.747 1.00 0.88 N ATOM 775 CA ALA A 55 -3.610 -2.307 5.005 1.00 0.97 C ATOM 776 C ALA A 55 -4.419 -3.481 5.531 1.00 0.96 C ATOM 777 O ALA A 55 -5.531 -3.745 5.081 1.00 1.07 O ATOM 778 CB ALA A 55 -3.342 -2.463 3.514 1.00 1.11 C ATOM 0 H ALA A 55 -1.635 -2.853 5.445 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.182 -1.390 5.146 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -4.289 -2.539 2.980 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -2.789 -1.597 3.151 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -2.755 -3.366 3.342 1.00 1.11 H new ATOM 784 N GLY A 56 -3.835 -4.183 6.491 1.00 0.96 N ATOM 785 CA GLY A 56 -4.511 -5.293 7.121 1.00 1.05 C ATOM 786 C GLY A 56 -5.211 -4.875 8.394 1.00 0.99 C ATOM 787 O GLY A 56 -6.105 -5.569 8.876 1.00 1.08 O ATOM 0 H GLY A 56 -2.896 -3.999 6.846 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -5.239 -5.716 6.428 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -3.789 -6.079 7.344 1.00 1.05 H new ATOM 791 N ALA A 57 -4.787 -3.748 8.957 1.00 0.98 N ATOM 792 CA ALA A 57 -5.458 -3.182 10.115 1.00 1.11 C ATOM 793 C ALA A 57 -6.811 -2.630 9.690 1.00 1.10 C ATOM 794 O ALA A 57 -7.846 -3.226 9.984 1.00 1.53 O ATOM 795 CB ALA A 57 -4.614 -2.088 10.759 1.00 1.34 C ATOM 0 H ALA A 57 -3.984 -3.212 8.629 1.00 0.98 H new ATOM 0 HA ALA A 57 -5.602 -3.967 10.858 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -5.141 -1.683 11.623 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -3.660 -2.506 11.079 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -4.437 -1.292 10.036 1.00 1.34 H new ATOM 801 N VAL A 58 -6.762 -1.494 8.976 1.00 0.89 N ATOM 802 CA VAL A 58 -7.926 -0.862 8.336 1.00 1.10 C ATOM 803 C VAL A 58 -9.221 -0.997 9.139 1.00 1.08 C ATOM 804 O VAL A 58 -10.282 -1.282 8.587 1.00 1.78 O ATOM 805 CB VAL A 58 -8.128 -1.373 6.889 1.00 1.50 C ATOM 806 CG1 VAL A 58 -6.986 -0.878 6.012 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.242 -2.891 6.825 1.00 2.36 C ATOM 0 H VAL A 58 -5.895 -0.979 8.825 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.693 0.202 8.304 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.072 -0.973 6.518 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.128 -1.238 4.993 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -6.972 0.212 6.014 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.039 -1.253 6.401 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -8.383 -3.202 5.790 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -7.331 -3.341 7.218 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.094 -3.217 7.421 1.00 2.36 H new ATOM 817 N ARG A 59 -9.133 -0.759 10.439 1.00 0.92 N ATOM 818 CA ARG A 59 -10.307 -0.765 11.292 1.00 1.16 C ATOM 819 C ARG A 59 -11.129 0.493 11.044 1.00 1.18 C ATOM 820 O ARG A 59 -10.733 1.594 11.425 1.00 1.83 O ATOM 821 CB ARG A 59 -9.899 -0.862 12.762 1.00 1.63 C ATOM 822 CG ARG A 59 -10.297 -2.175 13.415 1.00 2.16 C ATOM 823 CD ARG A 59 -11.808 -2.327 13.475 1.00 2.64 C ATOM 824 NE ARG A 59 -12.435 -1.219 14.196 1.00 3.01 N ATOM 825 CZ ARG A 59 -13.716 -1.188 14.560 1.00 3.85 C ATOM 826 NH1 ARG A 59 -14.510 -2.221 14.312 1.00 4.30 N ATOM 827 NH2 ARG A 59 -14.189 -0.120 15.193 1.00 4.65 N ATOM 0 H ARG A 59 -8.259 -0.559 10.925 1.00 0.92 H new ATOM 0 HA ARG A 59 -10.916 -1.636 11.052 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -8.819 -0.739 12.840 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -10.354 -0.039 13.313 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -9.868 -3.006 12.856 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -9.884 -2.222 14.423 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -12.209 -2.376 12.463 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -12.060 -3.268 13.964 1.00 2.64 H new ATOM 0 HE ARG A 59 -11.852 -0.417 14.436 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -14.141 -3.046 13.840 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -15.490 -2.190 14.594 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -13.573 0.667 15.396 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -15.168 -0.087 15.476 1.00 4.65 H new ATOM 841 N GLY A 60 -12.263 0.323 10.386 1.00 1.26 N ATOM 842 CA GLY A 60 -13.067 1.455 9.977 1.00 1.50 C ATOM 843 C GLY A 60 -12.812 1.802 8.528 1.00 1.68 C ATOM 844 O GLY A 60 -13.513 2.621 7.937 1.00 2.01 O ATOM 0 H GLY A 60 -12.644 -0.586 10.126 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -14.123 1.227 10.120 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -12.839 2.315 10.607 1.00 1.50 H new ATOM 848 N ILE A 61 -11.806 1.157 7.957 1.00 1.67 N ATOM 849 CA ILE A 61 -11.397 1.422 6.591 1.00 1.93 C ATOM 850 C ILE A 61 -12.096 0.472 5.632 1.00 1.67 C ATOM 851 O ILE A 61 -12.401 -0.668 5.982 1.00 2.21 O ATOM 852 CB ILE A 61 -9.855 1.306 6.420 1.00 2.53 C ATOM 853 CG1 ILE A 61 -9.135 2.533 6.991 1.00 3.45 C ATOM 854 CG2 ILE A 61 -9.462 1.106 4.958 1.00 2.78 C ATOM 855 CD1 ILE A 61 -9.179 2.640 8.501 1.00 3.54 C ATOM 0 H ILE A 61 -11.254 0.439 8.427 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.687 2.447 6.357 1.00 1.93 H new ATOM 0 HB ILE A 61 -9.543 0.426 6.982 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -8.093 2.509 6.671 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -9.579 3.431 6.563 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -8.377 1.030 4.880 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -9.918 0.191 4.580 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -9.809 1.955 4.369 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -8.646 3.536 8.818 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -10.216 2.699 8.832 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -8.707 1.762 8.942 1.00 3.54 H new ATOM 867 N ASN A 62 -12.346 0.954 4.429 1.00 1.52 N ATOM 868 CA ASN A 62 -12.940 0.132 3.387 1.00 1.54 C ATOM 869 C ASN A 62 -11.831 -0.560 2.616 1.00 1.47 C ATOM 870 O ASN A 62 -11.030 0.097 1.950 1.00 1.53 O ATOM 871 CB ASN A 62 -13.797 0.965 2.427 1.00 1.94 C ATOM 872 CG ASN A 62 -14.952 1.661 3.114 1.00 2.79 C ATOM 873 OD1 ASN A 62 -16.014 1.082 3.308 1.00 3.22 O ATOM 874 ND2 ASN A 62 -14.761 2.919 3.470 1.00 3.41 N ATOM 0 H ASN A 62 -12.147 1.914 4.147 1.00 1.52 H new ATOM 0 HA ASN A 62 -13.593 -0.603 3.857 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -13.168 1.711 1.942 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -14.186 0.317 1.642 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -15.512 3.441 3.923 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -13.863 3.369 3.292 1.00 3.41 H new ATOM 881 N PRO A 63 -11.767 -1.892 2.686 1.00 1.67 N ATOM 882 CA PRO A 63 -10.696 -2.654 2.052 1.00 1.87 C ATOM 883 C PRO A 63 -10.780 -2.577 0.534 1.00 1.64 C ATOM 884 O PRO A 63 -9.790 -2.777 -0.172 1.00 1.59 O ATOM 885 CB PRO A 63 -10.902 -4.089 2.537 1.00 2.43 C ATOM 886 CG PRO A 63 -12.007 -4.048 3.546 1.00 2.38 C ATOM 887 CD PRO A 63 -12.742 -2.753 3.364 1.00 2.01 C ATOM 0 HA PRO A 63 -9.712 -2.264 2.313 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -11.161 -4.745 1.706 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -9.987 -4.483 2.981 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -12.682 -4.893 3.409 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -11.605 -4.121 4.557 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -13.644 -2.885 2.766 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -13.052 -2.331 4.320 1.00 2.01 H new ATOM 895 N ASN A 64 -11.974 -2.267 0.043 1.00 1.59 N ATOM 896 CA ASN A 64 -12.184 -2.023 -1.379 1.00 1.51 C ATOM 897 C ASN A 64 -11.318 -0.857 -1.845 1.00 1.16 C ATOM 898 O ASN A 64 -10.843 -0.838 -2.978 1.00 1.11 O ATOM 899 CB ASN A 64 -13.656 -1.712 -1.664 1.00 1.72 C ATOM 900 CG ASN A 64 -14.597 -2.755 -1.097 1.00 2.37 C ATOM 901 OD1 ASN A 64 -15.043 -2.642 0.043 1.00 3.10 O ATOM 902 ND2 ASN A 64 -14.898 -3.782 -1.879 1.00 2.83 N ATOM 0 H ASN A 64 -12.816 -2.178 0.612 1.00 1.59 H new ATOM 0 HA ASN A 64 -11.903 -2.924 -1.924 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -13.905 -0.738 -1.243 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -13.806 -1.642 -2.741 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -15.521 -4.515 -1.540 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -14.507 -3.839 -2.819 1.00 2.83 H new ATOM 909 N ASN A 65 -11.107 0.108 -0.954 1.00 0.99 N ATOM 910 CA ASN A 65 -10.275 1.264 -1.252 1.00 0.74 C ATOM 911 C ASN A 65 -8.806 0.919 -1.072 1.00 0.69 C ATOM 912 O ASN A 65 -7.934 1.604 -1.593 1.00 0.60 O ATOM 913 CB ASN A 65 -10.633 2.445 -0.350 1.00 0.74 C ATOM 914 CG ASN A 65 -12.066 2.912 -0.519 1.00 0.95 C ATOM 915 OD1 ASN A 65 -12.660 2.774 -1.590 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.627 3.486 0.534 1.00 1.13 N ATOM 0 H ASN A 65 -11.505 0.109 -0.015 1.00 0.99 H new ATOM 0 HA ASN A 65 -10.457 1.546 -2.289 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.470 2.162 0.690 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -9.959 3.275 -0.564 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.584 3.833 0.476 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.102 3.581 1.403 1.00 1.13 H new ATOM 923 N ALA A 66 -8.541 -0.148 -0.329 1.00 0.93 N ATOM 924 CA ALA A 66 -7.175 -0.589 -0.079 1.00 1.07 C ATOM 925 C ALA A 66 -6.583 -1.237 -1.321 1.00 1.02 C ATOM 926 O ALA A 66 -5.423 -1.017 -1.656 1.00 1.05 O ATOM 927 CB ALA A 66 -7.129 -1.544 1.103 1.00 1.43 C ATOM 0 H ALA A 66 -9.257 -0.726 0.112 1.00 0.93 H new ATOM 0 HA ALA A 66 -6.572 0.285 0.166 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -6.101 -1.862 1.274 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -7.506 -1.040 1.993 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -7.748 -2.416 0.891 1.00 1.43 H new ATOM 933 N GLU A 67 -7.388 -2.028 -2.013 1.00 1.07 N ATOM 934 CA GLU A 67 -6.949 -2.647 -3.254 1.00 1.12 C ATOM 935 C GLU A 67 -7.118 -1.677 -4.419 1.00 0.94 C ATOM 936 O GLU A 67 -6.527 -1.859 -5.484 1.00 1.00 O ATOM 937 CB GLU A 67 -7.705 -3.954 -3.511 1.00 1.50 C ATOM 938 CG GLU A 67 -9.219 -3.809 -3.536 1.00 1.80 C ATOM 939 CD GLU A 67 -9.916 -5.138 -3.744 1.00 2.05 C ATOM 940 OE1 GLU A 67 -10.157 -5.511 -4.911 1.00 2.41 O ATOM 941 OE2 GLU A 67 -10.208 -5.828 -2.745 1.00 2.41 O ATOM 0 H GLU A 67 -8.344 -2.256 -1.739 1.00 1.07 H new ATOM 0 HA GLU A 67 -5.890 -2.890 -3.162 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -7.376 -4.369 -4.464 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -7.434 -4.674 -2.739 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.556 -3.366 -2.599 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -9.504 -3.122 -4.333 1.00 1.80 H new ATOM 948 N ALA A 68 -7.924 -0.644 -4.202 1.00 0.86 N ATOM 949 CA ALA A 68 -8.064 0.441 -5.168 1.00 0.92 C ATOM 950 C ALA A 68 -6.947 1.458 -4.971 1.00 0.89 C ATOM 951 O ALA A 68 -6.661 2.271 -5.850 1.00 1.14 O ATOM 952 CB ALA A 68 -9.423 1.115 -5.022 1.00 1.00 C ATOM 0 H ALA A 68 -8.493 -0.534 -3.362 1.00 0.86 H new ATOM 0 HA ALA A 68 -7.993 0.026 -6.173 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -9.509 1.921 -5.750 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.212 0.384 -5.195 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.521 1.523 -4.016 1.00 1.00 H new ATOM 958 N LEU A 69 -6.314 1.382 -3.805 1.00 0.79 N ATOM 959 CA LEU A 69 -5.253 2.301 -3.409 1.00 1.01 C ATOM 960 C LEU A 69 -4.109 2.340 -4.439 1.00 1.08 C ATOM 961 O LEU A 69 -3.687 3.427 -4.834 1.00 1.37 O ATOM 962 CB LEU A 69 -4.755 1.923 -2.003 1.00 1.16 C ATOM 963 CG LEU A 69 -3.587 2.736 -1.439 1.00 1.47 C ATOM 964 CD1 LEU A 69 -3.681 2.804 0.077 1.00 2.29 C ATOM 965 CD2 LEU A 69 -2.263 2.113 -1.840 1.00 1.96 C ATOM 0 H LEU A 69 -6.525 0.674 -3.102 1.00 0.79 H new ATOM 0 HA LEU A 69 -5.657 3.313 -3.377 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -5.593 2.010 -1.312 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.461 0.873 -2.018 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.641 3.745 -1.849 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -2.845 3.385 0.468 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -4.619 3.281 0.362 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -3.646 1.796 0.489 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -1.444 2.704 -1.430 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -2.207 1.096 -1.451 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.186 2.090 -2.927 1.00 1.96 H new ATOM 977 N PRO A 70 -3.575 1.179 -4.876 1.00 0.88 N ATOM 978 CA PRO A 70 -2.577 1.142 -5.951 1.00 0.91 C ATOM 979 C PRO A 70 -3.133 1.656 -7.278 1.00 1.02 C ATOM 980 O PRO A 70 -2.482 2.429 -7.983 1.00 1.20 O ATOM 981 CB PRO A 70 -2.213 -0.346 -6.067 1.00 0.77 C ATOM 982 CG PRO A 70 -3.324 -1.082 -5.401 1.00 0.78 C ATOM 983 CD PRO A 70 -3.843 -0.168 -4.333 1.00 0.78 C ATOM 0 HA PRO A 70 -1.724 1.783 -5.728 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -2.114 -0.645 -7.110 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -1.259 -0.555 -5.584 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -4.109 -1.333 -6.115 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -2.970 -2.020 -4.974 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -4.907 -0.324 -4.152 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -3.332 -0.328 -3.384 1.00 0.78 H new ATOM 991 N GLY A 71 -4.358 1.240 -7.590 1.00 1.06 N ATOM 992 CA GLY A 71 -4.965 1.545 -8.874 1.00 1.36 C ATOM 993 C GLY A 71 -5.046 3.030 -9.177 1.00 1.09 C ATOM 994 O GLY A 71 -4.549 3.481 -10.208 1.00 1.18 O ATOM 0 H GLY A 71 -4.948 0.689 -6.966 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -4.393 1.054 -9.661 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -5.970 1.123 -8.900 1.00 1.36 H new ATOM 998 N LYS A 72 -5.642 3.799 -8.272 1.00 0.90 N ATOM 999 CA LYS A 72 -5.866 5.223 -8.515 1.00 0.78 C ATOM 1000 C LYS A 72 -4.576 6.044 -8.424 1.00 0.73 C ATOM 1001 O LYS A 72 -4.605 7.267 -8.550 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.940 5.781 -7.561 1.00 0.76 C ATOM 1003 CG LYS A 72 -6.847 5.303 -6.143 1.00 1.18 C ATOM 1004 CD LYS A 72 -5.579 5.784 -5.498 1.00 1.40 C ATOM 1005 CE LYS A 72 -5.737 5.817 -4.011 1.00 2.07 C ATOM 1006 NZ LYS A 72 -4.425 5.798 -3.311 1.00 2.61 N ATOM 0 H LYS A 72 -5.977 3.465 -7.369 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.228 5.315 -9.539 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -6.876 6.869 -7.565 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -7.923 5.517 -7.952 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.707 5.662 -5.577 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -6.882 4.214 -6.119 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -4.753 5.127 -5.769 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -5.329 6.779 -5.867 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -6.288 6.713 -3.725 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -6.331 4.961 -3.690 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -4.502 5.226 -2.446 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -3.704 5.385 -3.936 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -4.151 6.770 -3.061 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.450 5.380 -8.211 1.00 0.63 N ATOM 1021 CA CYS A 73 -2.171 6.072 -8.134 1.00 0.63 C ATOM 1022 C CYS A 73 -1.279 5.708 -9.315 1.00 0.62 C ATOM 1023 O CYS A 73 -0.110 6.089 -9.367 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.483 5.771 -6.800 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.356 6.470 -5.362 1.00 1.65 S ATOM 0 H CYS A 73 -3.395 4.369 -8.089 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.355 7.145 -8.185 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.402 4.691 -6.677 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.467 6.166 -6.826 1.00 0.72 H new ATOM 1030 N GLY A 74 -1.840 4.969 -10.270 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.128 4.666 -11.499 1.00 0.67 C ATOM 1032 C GLY A 74 -0.105 3.557 -11.341 1.00 0.66 C ATOM 1033 O GLY A 74 0.574 3.184 -12.300 1.00 0.96 O ATOM 0 H GLY A 74 -2.779 4.574 -10.213 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -1.847 4.381 -12.267 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -0.626 5.567 -11.852 1.00 0.67 H new ATOM 1037 N VAL A 75 0.005 3.019 -10.142 1.00 0.55 N ATOM 1038 CA VAL A 75 0.974 1.973 -9.867 1.00 0.61 C ATOM 1039 C VAL A 75 0.344 0.591 -9.988 1.00 0.80 C ATOM 1040 O VAL A 75 -0.093 0.001 -9.002 1.00 1.70 O ATOM 1041 CB VAL A 75 1.628 2.133 -8.478 1.00 0.63 C ATOM 1042 CG1 VAL A 75 2.846 3.035 -8.564 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.635 2.697 -7.470 1.00 0.51 C ATOM 0 H VAL A 75 -0.565 3.289 -9.340 1.00 0.55 H new ATOM 0 HA VAL A 75 1.757 2.072 -10.619 1.00 0.61 H new ATOM 0 HB VAL A 75 1.942 1.145 -8.140 1.00 0.63 H new ATOM 0 HG11 VAL A 75 3.294 3.136 -7.576 1.00 1.09 H new ATOM 0 HG12 VAL A 75 3.573 2.600 -9.249 1.00 1.09 H new ATOM 0 HG13 VAL A 75 2.546 4.017 -8.929 1.00 1.09 H new ATOM 0 HG21 VAL A 75 1.121 2.800 -6.500 1.00 0.51 H new ATOM 0 HG22 VAL A 75 0.289 3.674 -7.808 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.216 2.021 -7.380 1.00 0.51 H new ATOM 1053 N ASN A 76 0.280 0.096 -11.215 1.00 0.78 N ATOM 1054 CA ASN A 76 -0.228 -1.242 -11.470 1.00 0.90 C ATOM 1055 C ASN A 76 0.924 -2.236 -11.448 1.00 0.81 C ATOM 1056 O ASN A 76 1.602 -2.456 -12.454 1.00 0.99 O ATOM 1057 CB ASN A 76 -0.962 -1.302 -12.811 1.00 1.23 C ATOM 1058 CG ASN A 76 -1.578 -2.664 -13.075 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -1.950 -3.385 -12.147 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -1.699 -3.022 -14.343 1.00 2.31 N ATOM 0 H ASN A 76 0.574 0.602 -12.050 1.00 0.78 H new ATOM 0 HA ASN A 76 -0.942 -1.502 -10.688 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -1.744 -0.543 -12.828 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -0.266 -1.060 -13.614 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -2.113 -3.923 -14.581 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -1.379 -2.397 -15.082 1.00 2.31 H new ATOM 1067 N ILE A 77 1.165 -2.790 -10.274 1.00 0.78 N ATOM 1068 CA ILE A 77 2.256 -3.731 -10.065 1.00 0.91 C ATOM 1069 C ILE A 77 1.742 -5.171 -10.151 1.00 0.85 C ATOM 1070 O ILE A 77 0.529 -5.396 -10.104 1.00 0.82 O ATOM 1071 CB ILE A 77 2.960 -3.500 -8.697 1.00 1.19 C ATOM 1072 CG1 ILE A 77 2.071 -3.902 -7.505 1.00 1.12 C ATOM 1073 CG2 ILE A 77 3.399 -2.047 -8.564 1.00 1.83 C ATOM 1074 CD1 ILE A 77 0.883 -2.994 -7.249 1.00 1.17 C ATOM 0 H ILE A 77 0.612 -2.602 -9.438 1.00 0.78 H new ATOM 0 HA ILE A 77 2.990 -3.562 -10.853 1.00 0.91 H new ATOM 0 HB ILE A 77 3.839 -4.145 -8.675 1.00 1.19 H new ATOM 0 HG12 ILE A 77 1.704 -4.915 -7.671 1.00 1.12 H new ATOM 0 HG13 ILE A 77 2.687 -3.930 -6.606 1.00 1.12 H new ATOM 0 HG21 ILE A 77 3.890 -1.902 -7.602 1.00 1.83 H new ATOM 0 HG22 ILE A 77 4.095 -1.802 -9.367 1.00 1.83 H new ATOM 0 HG23 ILE A 77 2.527 -1.396 -8.628 1.00 1.83 H new ATOM 0 HD11 ILE A 77 0.322 -3.363 -6.390 1.00 1.17 H new ATOM 0 HD12 ILE A 77 1.235 -1.983 -7.045 1.00 1.17 H new ATOM 0 HD13 ILE A 77 0.237 -2.983 -8.127 1.00 1.17 H new ATOM 1086 N PRO A 78 2.651 -6.157 -10.311 1.00 0.96 N ATOM 1087 CA PRO A 78 2.291 -7.580 -10.383 1.00 1.03 C ATOM 1088 C PRO A 78 1.369 -8.023 -9.245 1.00 0.91 C ATOM 1089 O PRO A 78 0.335 -8.643 -9.488 1.00 1.28 O ATOM 1090 CB PRO A 78 3.642 -8.310 -10.288 1.00 1.24 C ATOM 1091 CG PRO A 78 4.644 -7.262 -9.936 1.00 1.35 C ATOM 1092 CD PRO A 78 4.099 -5.976 -10.476 1.00 1.15 C ATOM 0 HA PRO A 78 1.735 -7.798 -11.295 1.00 1.03 H new ATOM 0 HB2 PRO A 78 3.612 -9.093 -9.530 1.00 1.24 H new ATOM 0 HB3 PRO A 78 3.894 -8.791 -11.233 1.00 1.24 H new ATOM 0 HG2 PRO A 78 4.786 -7.204 -8.857 1.00 1.35 H new ATOM 0 HG3 PRO A 78 5.616 -7.489 -10.373 1.00 1.35 H new ATOM 0 HD2 PRO A 78 4.467 -5.113 -9.921 1.00 1.15 H new ATOM 0 HD3 PRO A 78 4.374 -5.824 -11.520 1.00 1.15 H new ATOM 1100 N TYR A 79 1.744 -7.711 -8.009 1.00 0.89 N ATOM 1101 CA TYR A 79 0.915 -8.057 -6.864 1.00 0.80 C ATOM 1102 C TYR A 79 -0.204 -7.038 -6.703 1.00 0.85 C ATOM 1103 O TYR A 79 -0.192 -5.992 -7.342 1.00 1.07 O ATOM 1104 CB TYR A 79 1.748 -8.162 -5.582 1.00 0.91 C ATOM 1105 CG TYR A 79 2.457 -6.888 -5.165 1.00 0.81 C ATOM 1106 CD1 TYR A 79 1.763 -5.838 -4.571 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.831 -6.753 -5.328 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.419 -4.694 -4.159 1.00 1.13 C ATOM 1109 CE2 TYR A 79 4.490 -5.607 -4.922 1.00 0.99 C ATOM 1110 CZ TYR A 79 3.780 -4.583 -4.337 1.00 1.10 C ATOM 1111 OH TYR A 79 4.433 -3.452 -3.916 1.00 1.38 O ATOM 0 H TYR A 79 2.609 -7.223 -7.777 1.00 0.89 H new ATOM 0 HA TYR A 79 0.473 -9.037 -7.046 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.095 -8.478 -4.769 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.493 -8.946 -5.715 1.00 0.91 H new ATOM 0 HD1 TYR A 79 0.695 -5.919 -4.430 1.00 0.99 H new ATOM 0 HD2 TYR A 79 4.393 -7.557 -5.779 1.00 0.84 H new ATOM 0 HE1 TYR A 79 1.866 -3.889 -3.699 1.00 1.13 H new ATOM 0 HE2 TYR A 79 5.557 -5.516 -5.063 1.00 0.99 H new ATOM 0 HH TYR A 79 5.389 -3.533 -4.115 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.165 -7.328 -5.846 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.305 -6.443 -5.693 1.00 1.11 C ATOM 1123 C LYS A 80 -2.400 -5.895 -4.275 1.00 1.06 C ATOM 1124 O LYS A 80 -3.463 -5.468 -3.837 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.585 -7.172 -6.081 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.679 -6.223 -6.513 1.00 2.02 C ATOM 1127 CD LYS A 80 -4.116 -5.159 -7.441 1.00 2.55 C ATOM 1128 CE LYS A 80 -5.201 -4.445 -8.234 1.00 3.04 C ATOM 1129 NZ LYS A 80 -6.246 -3.846 -7.361 1.00 3.48 N ATOM 0 H LYS A 80 -1.181 -8.157 -5.253 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.168 -5.592 -6.360 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.372 -7.869 -6.891 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -3.934 -7.764 -5.235 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -5.470 -6.775 -7.019 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -5.128 -5.752 -5.638 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -3.558 -4.428 -6.855 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -3.410 -5.620 -8.131 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -4.747 -3.662 -8.841 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -5.668 -5.151 -8.921 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -6.960 -3.372 -7.950 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -6.701 -4.595 -6.800 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -5.808 -3.152 -6.722 1.00 3.48 H new ATOM 1143 N ILE A 81 -1.258 -5.918 -3.587 1.00 1.13 N ATOM 1144 CA ILE A 81 -1.073 -5.421 -2.201 1.00 1.19 C ATOM 1145 C ILE A 81 -1.915 -6.178 -1.165 1.00 1.22 C ATOM 1146 O ILE A 81 -1.488 -6.344 -0.018 1.00 1.37 O ATOM 1147 CB ILE A 81 -1.279 -3.872 -2.051 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -2.757 -3.452 -1.963 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -0.606 -3.132 -3.196 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -3.298 -3.384 -0.549 1.00 2.55 C ATOM 0 H ILE A 81 -0.398 -6.295 -3.984 1.00 1.13 H new ATOM 0 HA ILE A 81 -0.024 -5.628 -1.988 1.00 1.19 H new ATOM 0 HB ILE A 81 -0.816 -3.600 -1.103 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -2.875 -2.476 -2.433 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -3.359 -4.157 -2.537 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -0.759 -2.059 -3.076 1.00 1.88 H new ATOM 0 HG22 ILE A 81 0.462 -3.349 -3.191 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -1.038 -3.456 -4.143 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -4.345 -3.081 -0.574 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -3.215 -4.365 -0.080 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -2.724 -2.657 0.026 1.00 2.55 H new ATOM 1162 N SER A 82 -3.087 -6.654 -1.574 1.00 1.31 N ATOM 1163 CA SER A 82 -4.014 -7.339 -0.685 1.00 1.50 C ATOM 1164 C SER A 82 -3.410 -8.627 -0.119 1.00 1.47 C ATOM 1165 O SER A 82 -2.308 -9.039 -0.493 1.00 1.81 O ATOM 1166 CB SER A 82 -5.303 -7.651 -1.444 1.00 1.79 C ATOM 1167 OG SER A 82 -5.816 -6.486 -2.071 1.00 2.45 O ATOM 0 H SER A 82 -3.420 -6.574 -2.535 1.00 1.31 H new ATOM 0 HA SER A 82 -4.229 -6.682 0.158 1.00 1.50 H new ATOM 0 HB2 SER A 82 -5.111 -8.418 -2.194 1.00 1.79 H new ATOM 0 HB3 SER A 82 -6.046 -8.056 -0.757 1.00 1.79 H new ATOM 0 HG SER A 82 -6.640 -6.709 -2.552 1.00 2.45 H new ATOM 1173 N THR A 83 -4.150 -9.259 0.774 1.00 1.47 N ATOM 1174 CA THR A 83 -3.712 -10.470 1.447 1.00 1.50 C ATOM 1175 C THR A 83 -3.505 -11.633 0.475 1.00 1.59 C ATOM 1176 O THR A 83 -2.686 -12.515 0.723 1.00 1.72 O ATOM 1177 CB THR A 83 -4.745 -10.862 2.512 1.00 1.65 C ATOM 1178 OG1 THR A 83 -6.061 -10.615 1.996 1.00 2.04 O ATOM 1179 CG2 THR A 83 -4.534 -10.062 3.788 1.00 1.68 C ATOM 0 H THR A 83 -5.079 -8.945 1.055 1.00 1.47 H new ATOM 0 HA THR A 83 -2.748 -10.261 1.912 1.00 1.50 H new ATOM 0 HB THR A 83 -4.628 -11.919 2.750 1.00 1.65 H new ATOM 0 HG1 THR A 83 -6.728 -10.864 2.669 1.00 2.04 H new ATOM 0 HG21 THR A 83 -5.277 -10.356 4.529 1.00 1.68 H new ATOM 0 HG22 THR A 83 -3.535 -10.257 4.179 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.638 -8.999 3.572 1.00 1.68 H new ATOM 1187 N SER A 84 -4.226 -11.600 -0.640 1.00 1.68 N ATOM 1188 CA SER A 84 -4.222 -12.689 -1.613 1.00 1.82 C ATOM 1189 C SER A 84 -2.828 -12.971 -2.187 1.00 1.55 C ATOM 1190 O SER A 84 -2.529 -14.106 -2.561 1.00 1.77 O ATOM 1191 CB SER A 84 -5.199 -12.353 -2.736 1.00 2.22 C ATOM 1192 OG SER A 84 -6.438 -11.918 -2.198 1.00 2.76 O ATOM 0 H SER A 84 -4.830 -10.819 -0.896 1.00 1.68 H new ATOM 0 HA SER A 84 -4.531 -13.598 -1.097 1.00 1.82 H new ATOM 0 HB2 SER A 84 -4.778 -11.575 -3.373 1.00 2.22 H new ATOM 0 HB3 SER A 84 -5.356 -13.229 -3.365 1.00 2.22 H new ATOM 0 HG SER A 84 -7.055 -11.704 -2.929 1.00 2.76 H new ATOM 1198 N THR A 85 -1.972 -11.954 -2.257 1.00 1.28 N ATOM 1199 CA THR A 85 -0.623 -12.148 -2.790 1.00 1.11 C ATOM 1200 C THR A 85 0.300 -12.733 -1.716 1.00 0.96 C ATOM 1201 O THR A 85 1.374 -13.253 -2.015 1.00 1.52 O ATOM 1202 CB THR A 85 -0.032 -10.835 -3.365 1.00 1.30 C ATOM 1203 OG1 THR A 85 1.263 -11.069 -3.931 1.00 2.05 O ATOM 1204 CG2 THR A 85 0.077 -9.750 -2.303 1.00 0.91 C ATOM 0 H THR A 85 -2.182 -11.002 -1.957 1.00 1.28 H new ATOM 0 HA THR A 85 -0.696 -12.857 -3.614 1.00 1.11 H new ATOM 0 HB THR A 85 -0.717 -10.492 -4.141 1.00 1.30 H new ATOM 0 HG1 THR A 85 1.641 -11.890 -3.553 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.496 -8.847 -2.747 1.00 0.91 H new ATOM 0 HG22 THR A 85 -0.913 -9.532 -1.902 1.00 0.91 H new ATOM 0 HG23 THR A 85 0.727 -10.093 -1.498 1.00 0.91 H new ATOM 1212 N ASN A 86 -0.141 -12.623 -0.464 1.00 1.23 N ATOM 1213 CA ASN A 86 0.519 -13.238 0.702 1.00 1.36 C ATOM 1214 C ASN A 86 1.885 -12.628 1.026 1.00 1.10 C ATOM 1215 O ASN A 86 2.414 -12.832 2.116 1.00 1.53 O ATOM 1216 CB ASN A 86 0.644 -14.757 0.515 1.00 1.81 C ATOM 1217 CG ASN A 86 0.837 -15.493 1.828 1.00 2.40 C ATOM 1218 OD1 ASN A 86 0.336 -15.066 2.869 1.00 3.05 O ATOM 1219 ND2 ASN A 86 1.550 -16.607 1.788 1.00 2.73 N ATOM 0 H ASN A 86 -0.980 -12.097 -0.220 1.00 1.23 H new ATOM 0 HA ASN A 86 -0.123 -13.026 1.557 1.00 1.36 H new ATOM 0 HB2 ASN A 86 -0.251 -15.133 0.020 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.486 -14.970 -0.144 1.00 1.81 H new ATOM 0 HD21 ASN A 86 1.702 -17.146 2.640 1.00 2.73 H new ATOM 0 HD22 ASN A 86 1.948 -16.926 0.905 1.00 2.73 H new ATOM 1226 N CYS A 87 2.434 -11.885 0.082 1.00 0.87 N ATOM 1227 CA CYS A 87 3.741 -11.217 0.227 1.00 0.72 C ATOM 1228 C CYS A 87 4.907 -12.204 0.137 1.00 0.83 C ATOM 1229 O CYS A 87 6.018 -11.819 -0.222 1.00 1.10 O ATOM 1230 CB CYS A 87 3.808 -10.417 1.539 1.00 0.90 C ATOM 1231 SG CYS A 87 5.489 -9.922 2.065 1.00 1.71 S ATOM 0 H CYS A 87 1.990 -11.719 -0.821 1.00 0.87 H new ATOM 0 HA CYS A 87 3.838 -10.523 -0.608 1.00 0.72 H new ATOM 0 HB2 CYS A 87 3.200 -9.519 1.430 1.00 0.90 H new ATOM 0 HB3 CYS A 87 3.357 -11.013 2.333 1.00 0.90 H new ATOM 1236 N ASN A 88 4.645 -13.476 0.424 1.00 0.91 N ATOM 1237 CA ASN A 88 5.688 -14.502 0.409 1.00 1.09 C ATOM 1238 C ASN A 88 6.318 -14.630 -0.967 1.00 1.10 C ATOM 1239 O ASN A 88 7.444 -15.100 -1.098 1.00 1.24 O ATOM 1240 CB ASN A 88 5.141 -15.859 0.855 1.00 1.38 C ATOM 1241 CG ASN A 88 5.009 -15.967 2.360 1.00 2.04 C ATOM 1242 OD1 ASN A 88 4.756 -14.981 3.048 1.00 2.76 O ATOM 1243 ND2 ASN A 88 5.195 -17.169 2.886 1.00 2.55 N ATOM 0 H ASN A 88 3.718 -13.823 0.670 1.00 0.91 H new ATOM 0 HA ASN A 88 6.455 -14.186 1.116 1.00 1.09 H new ATOM 0 HB2 ASN A 88 4.166 -16.022 0.396 1.00 1.38 H new ATOM 0 HB3 ASN A 88 5.800 -16.649 0.494 1.00 1.38 H new ATOM 0 HD21 ASN A 88 5.130 -17.300 3.895 1.00 2.55 H new ATOM 0 HD22 ASN A 88 5.403 -17.964 2.281 1.00 2.55 H new ATOM 1250 N SER A 89 5.584 -14.226 -1.988 1.00 1.12 N ATOM 1251 CA SER A 89 6.131 -14.164 -3.323 1.00 1.29 C ATOM 1252 C SER A 89 5.393 -13.114 -4.137 1.00 1.42 C ATOM 1253 O SER A 89 4.322 -13.365 -4.695 1.00 2.21 O ATOM 1254 CB SER A 89 6.034 -15.512 -4.022 1.00 1.53 C ATOM 1255 OG SER A 89 6.877 -15.564 -5.164 1.00 2.11 O ATOM 0 H SER A 89 4.609 -13.937 -1.914 1.00 1.12 H new ATOM 0 HA SER A 89 7.184 -13.894 -3.243 1.00 1.29 H new ATOM 0 HB2 SER A 89 6.310 -16.305 -3.327 1.00 1.53 H new ATOM 0 HB3 SER A 89 5.002 -15.696 -4.321 1.00 1.53 H new ATOM 0 HG SER A 89 6.795 -16.442 -5.591 1.00 2.11 H new ATOM 1261 N ILE A 90 5.954 -11.932 -4.146 1.00 1.14 N ATOM 1262 CA ILE A 90 5.437 -10.829 -4.945 1.00 1.35 C ATOM 1263 C ILE A 90 6.389 -10.548 -6.096 1.00 1.76 C ATOM 1264 O ILE A 90 5.972 -10.142 -7.179 1.00 2.17 O ATOM 1265 CB ILE A 90 5.285 -9.541 -4.105 1.00 1.10 C ATOM 1266 CG1 ILE A 90 6.665 -8.924 -3.820 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.532 -9.830 -2.813 1.00 1.14 C ATOM 1268 CD1 ILE A 90 6.653 -7.815 -2.792 1.00 0.97 C ATOM 0 H ILE A 90 6.784 -11.698 -3.602 1.00 1.14 H new ATOM 0 HA ILE A 90 4.455 -11.120 -5.317 1.00 1.35 H new ATOM 0 HB ILE A 90 4.702 -8.817 -4.675 1.00 1.10 H new ATOM 0 HG12 ILE A 90 7.338 -9.711 -3.480 1.00 1.08 H new ATOM 0 HG13 ILE A 90 7.075 -8.535 -4.752 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.435 -8.911 -2.235 1.00 1.14 H new ATOM 0 HG22 ILE A 90 3.541 -10.217 -3.048 1.00 1.14 H new ATOM 0 HG23 ILE A 90 5.081 -10.569 -2.230 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.666 -7.437 -2.652 1.00 0.97 H new ATOM 0 HD12 ILE A 90 6.009 -7.006 -3.137 1.00 0.97 H new ATOM 0 HD13 ILE A 90 6.276 -8.201 -1.845 1.00 0.97 H new