USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 20 ASN : amide:sc= -1.14 K(o=-5.1,f=-2.4) USER MOD Set 1.2: A 24 ASN : amide:sc= -3.91! K(o=-5.1!,f=-1.5) USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= -2.84! USER MOD Set 2.2: A 17 CYS SG : rot 70:sc= 0.675 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.885 K(o=0.89,f=-1.5) USER MOD Set 3.2: A 12 MET CE :methyl 175:sc= 0 (180deg=0) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -106:sc= 1.61 (180deg=-3.68!) USER MOD Set 4.2: A 6 TYR OH : rot -167:sc= 1.86 USER MOD Single : A 2 SER OG : rot 37:sc= 0.667 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 CYS SG : rot -61:sc= -0.165 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -39:sc= 0.807 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 1.24 (180deg=0.964) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.112 USER MOD Single : A 48 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.1) USER MOD Single : A 53 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.39) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.152 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 0.067 12.876 -9.364 1.00 2.56 N ATOM 18 CA SER A 2 -0.288 12.725 -7.962 1.00 1.66 C ATOM 19 C SER A 2 -1.786 12.471 -7.759 1.00 1.54 C ATOM 20 O SER A 2 -2.609 13.289 -8.160 1.00 2.33 O ATOM 21 CB SER A 2 0.162 13.988 -7.230 1.00 2.17 C ATOM 22 OG SER A 2 1.400 14.412 -7.779 1.00 3.31 O ATOM 0 HA SER A 2 0.215 11.847 -7.557 1.00 1.66 H new ATOM 0 HB2 SER A 2 -0.587 14.773 -7.334 1.00 2.17 H new ATOM 0 HB3 SER A 2 0.269 13.789 -6.164 1.00 2.17 H new ATOM 0 HG SER A 2 1.402 14.250 -8.746 1.00 3.31 H new ATOM 28 N SER A 3 -2.119 11.334 -7.150 1.00 0.77 N ATOM 29 CA SER A 3 -3.474 10.848 -6.919 1.00 0.72 C ATOM 30 C SER A 3 -3.458 10.034 -5.622 1.00 0.65 C ATOM 31 O SER A 3 -2.381 9.811 -5.072 1.00 0.78 O ATOM 32 CB SER A 3 -3.893 9.955 -8.098 1.00 0.84 C ATOM 33 OG SER A 3 -3.771 10.636 -9.332 1.00 1.75 O ATOM 0 H SER A 3 -1.412 10.695 -6.786 1.00 0.77 H new ATOM 0 HA SER A 3 -4.181 11.673 -6.836 1.00 0.72 H new ATOM 0 HB2 SER A 3 -3.275 9.057 -8.114 1.00 0.84 H new ATOM 0 HB3 SER A 3 -4.924 9.630 -7.961 1.00 0.84 H new ATOM 0 HG SER A 3 -4.043 10.041 -10.062 1.00 1.75 H new ATOM 39 N LYS A 4 -4.608 9.539 -5.148 1.00 0.72 N ATOM 40 CA LYS A 4 -4.614 8.362 -4.288 1.00 0.82 C ATOM 41 C LYS A 4 -5.532 7.313 -4.888 1.00 0.67 C ATOM 42 O LYS A 4 -6.408 7.652 -5.681 1.00 0.88 O ATOM 43 CB LYS A 4 -4.934 8.692 -2.816 1.00 1.42 C ATOM 44 CG LYS A 4 -6.424 8.755 -2.459 1.00 1.11 C ATOM 45 CD LYS A 4 -6.587 8.928 -0.941 1.00 1.95 C ATOM 46 CE LYS A 4 -8.064 9.069 -0.539 1.00 2.59 C ATOM 47 NZ LYS A 4 -8.271 8.869 0.911 1.00 3.80 N ATOM 0 H LYS A 4 -5.529 9.931 -5.344 1.00 0.72 H new ATOM 0 HA LYS A 4 -3.606 7.950 -4.250 1.00 0.82 H new ATOM 0 HB2 LYS A 4 -4.459 7.943 -2.183 1.00 1.42 H new ATOM 0 HB3 LYS A 4 -4.479 9.652 -2.571 1.00 1.42 H new ATOM 0 HG2 LYS A 4 -6.898 9.585 -2.982 1.00 1.11 H new ATOM 0 HG3 LYS A 4 -6.925 7.844 -2.787 1.00 1.11 H new ATOM 0 HD2 LYS A 4 -6.151 8.071 -0.428 1.00 1.95 H new ATOM 0 HD3 LYS A 4 -6.035 9.809 -0.614 1.00 1.95 H new ATOM 0 HE2 LYS A 4 -8.423 10.059 -0.822 1.00 2.59 H new ATOM 0 HE3 LYS A 4 -8.660 8.343 -1.093 1.00 2.59 H new ATOM 0 HZ1 LYS A 4 -8.712 7.941 1.074 1.00 3.80 H new ATOM 0 HZ2 LYS A 4 -7.355 8.907 1.401 1.00 3.80 H new ATOM 0 HZ3 LYS A 4 -8.892 9.617 1.279 1.00 3.80 H new ATOM 61 N CYS A 5 -5.320 6.055 -4.506 1.00 0.65 N ATOM 62 CA CYS A 5 -6.165 4.938 -4.902 1.00 0.69 C ATOM 63 C CYS A 5 -6.272 4.007 -3.706 1.00 0.71 C ATOM 64 O CYS A 5 -5.363 3.984 -2.872 1.00 0.82 O ATOM 65 CB CYS A 5 -5.549 4.227 -6.105 1.00 0.82 C ATOM 66 SG CYS A 5 -6.702 2.999 -6.753 1.00 1.62 S ATOM 0 H CYS A 5 -4.543 5.782 -3.903 1.00 0.65 H new ATOM 0 HA CYS A 5 -7.158 5.276 -5.197 1.00 0.69 H new ATOM 0 HB2 CYS A 5 -5.304 4.953 -6.881 1.00 0.82 H new ATOM 0 HB3 CYS A 5 -4.616 3.744 -5.814 1.00 0.82 H new ATOM 0 HG CYS A 5 -6.958 2.117 -5.833 1.00 1.62 H new ATOM 72 N TYR A 6 -7.369 3.257 -3.598 1.00 0.76 N ATOM 73 CA TYR A 6 -7.525 2.299 -2.530 1.00 0.77 C ATOM 74 C TYR A 6 -6.835 1.018 -2.964 1.00 0.83 C ATOM 75 O TYR A 6 -6.752 0.698 -4.150 1.00 1.05 O ATOM 76 CB TYR A 6 -9.004 2.093 -2.182 1.00 0.78 C ATOM 77 CG TYR A 6 -9.565 3.231 -1.357 1.00 0.71 C ATOM 78 CD1 TYR A 6 -10.015 4.406 -1.988 1.00 2.07 C ATOM 79 CD2 TYR A 6 -9.442 3.191 0.044 1.00 1.78 C ATOM 80 CE1 TYR A 6 -10.277 5.557 -1.224 1.00 2.15 C ATOM 81 CE2 TYR A 6 -9.714 4.339 0.805 1.00 1.96 C ATOM 82 CZ TYR A 6 -10.085 5.532 0.167 1.00 1.24 C ATOM 83 OH TYR A 6 -10.115 6.695 0.876 1.00 1.69 O ATOM 0 H TYR A 6 -8.158 3.303 -4.243 1.00 0.76 H new ATOM 0 HA TYR A 6 -7.063 2.660 -1.611 1.00 0.77 H new ATOM 0 HB2 TYR A 6 -9.581 1.995 -3.102 1.00 0.78 H new ATOM 0 HB3 TYR A 6 -9.119 1.158 -1.633 1.00 0.78 H new ATOM 0 HD1 TYR A 6 -10.159 4.423 -3.058 1.00 2.07 H new ATOM 0 HD2 TYR A 6 -9.138 2.278 0.534 1.00 1.78 H new ATOM 0 HE1 TYR A 6 -10.625 6.459 -1.706 1.00 2.15 H new ATOM 0 HE2 TYR A 6 -9.638 4.304 1.882 1.00 1.96 H new ATOM 0 HH TYR A 6 -9.762 6.538 1.777 1.00 1.69 H new ATOM 93 N ILE A 7 -6.313 0.307 -1.980 1.00 0.77 N ATOM 94 CA ILE A 7 -5.730 -1.006 -2.112 1.00 0.73 C ATOM 95 C ILE A 7 -6.391 -1.835 -1.007 1.00 0.82 C ATOM 96 O ILE A 7 -6.647 -1.333 0.090 1.00 1.18 O ATOM 97 CB ILE A 7 -4.188 -0.948 -1.981 1.00 0.67 C ATOM 98 CG1 ILE A 7 -3.496 0.229 -2.703 1.00 1.15 C ATOM 99 CG2 ILE A 7 -3.562 -2.271 -2.436 1.00 0.70 C ATOM 100 CD1 ILE A 7 -3.440 0.092 -4.226 1.00 2.06 C ATOM 0 H ILE A 7 -6.286 0.652 -1.021 1.00 0.77 H new ATOM 0 HA ILE A 7 -5.905 -1.450 -3.092 1.00 0.73 H new ATOM 0 HB ILE A 7 -4.014 -0.775 -0.919 1.00 0.67 H new ATOM 0 HG12 ILE A 7 -4.020 1.151 -2.452 1.00 1.15 H new ATOM 0 HG13 ILE A 7 -2.480 0.326 -2.322 1.00 1.15 H new ATOM 0 HG21 ILE A 7 -2.478 -2.213 -2.338 1.00 0.70 H new ATOM 0 HG22 ILE A 7 -3.940 -3.084 -1.817 1.00 0.70 H new ATOM 0 HG23 ILE A 7 -3.822 -2.457 -3.478 1.00 0.70 H new ATOM 0 HD11 ILE A 7 -2.938 0.961 -4.651 1.00 2.06 H new ATOM 0 HD12 ILE A 7 -2.889 -0.811 -4.490 1.00 2.06 H new ATOM 0 HD13 ILE A 7 -4.453 0.028 -4.623 1.00 2.06 H new ATOM 112 N GLN A 8 -6.708 -3.093 -1.290 1.00 0.73 N ATOM 113 CA GLN A 8 -7.062 -4.073 -0.303 1.00 0.77 C ATOM 114 C GLN A 8 -5.767 -4.852 -0.079 1.00 0.84 C ATOM 115 O GLN A 8 -5.161 -5.277 -1.063 1.00 1.00 O ATOM 116 CB GLN A 8 -8.207 -4.901 -0.889 1.00 1.00 C ATOM 117 CG GLN A 8 -8.378 -6.208 -0.133 1.00 1.46 C ATOM 118 CD GLN A 8 -8.460 -6.024 1.378 1.00 2.08 C ATOM 119 OE1 GLN A 8 -7.703 -6.638 2.118 1.00 3.59 O ATOM 120 NE2 GLN A 8 -9.340 -5.141 1.841 1.00 2.73 N ATOM 0 H GLN A 8 -6.723 -3.457 -2.243 1.00 0.73 H new ATOM 0 HA GLN A 8 -7.420 -3.692 0.653 1.00 0.77 H new ATOM 0 HB2 GLN A 8 -9.133 -4.328 -0.846 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -8.009 -5.109 -1.941 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -9.283 -6.705 -0.481 1.00 1.46 H new ATOM 0 HG3 GLN A 8 -7.542 -6.867 -0.367 1.00 1.46 H new ATOM 0 HE21 GLN A 8 -9.956 -4.647 1.195 1.00 2.73 H new ATOM 0 HE22 GLN A 8 -9.399 -4.957 2.843 1.00 2.73 H new ATOM 129 N VAL A 9 -5.338 -5.001 1.178 1.00 0.84 N ATOM 130 CA VAL A 9 -4.135 -5.729 1.563 1.00 0.90 C ATOM 131 C VAL A 9 -4.517 -6.771 2.615 1.00 1.06 C ATOM 132 O VAL A 9 -5.097 -6.433 3.646 1.00 1.52 O ATOM 133 CB VAL A 9 -3.034 -4.756 2.028 1.00 1.14 C ATOM 134 CG1 VAL A 9 -3.438 -3.878 3.222 1.00 2.02 C ATOM 135 CG2 VAL A 9 -1.746 -5.516 2.371 1.00 2.40 C ATOM 0 H VAL A 9 -5.836 -4.605 1.975 1.00 0.84 H new ATOM 0 HA VAL A 9 -3.711 -6.258 0.709 1.00 0.90 H new ATOM 0 HB VAL A 9 -2.868 -4.086 1.184 1.00 1.14 H new ATOM 0 HG11 VAL A 9 -2.609 -3.222 3.488 1.00 2.02 H new ATOM 0 HG12 VAL A 9 -4.306 -3.276 2.954 1.00 2.02 H new ATOM 0 HG13 VAL A 9 -3.686 -4.513 4.073 1.00 2.02 H new ATOM 0 HG21 VAL A 9 -0.982 -4.810 2.697 1.00 2.40 H new ATOM 0 HG22 VAL A 9 -1.946 -6.229 3.171 1.00 2.40 H new ATOM 0 HG23 VAL A 9 -1.393 -6.050 1.489 1.00 2.40 H new ATOM 145 N THR A 10 -4.233 -8.046 2.340 1.00 0.99 N ATOM 146 CA THR A 10 -4.611 -9.130 3.228 1.00 1.21 C ATOM 147 C THR A 10 -3.719 -9.104 4.472 1.00 1.39 C ATOM 148 O THR A 10 -2.513 -8.894 4.363 1.00 2.33 O ATOM 149 CB THR A 10 -4.575 -10.474 2.478 1.00 1.40 C ATOM 150 OG1 THR A 10 -5.416 -11.411 3.120 1.00 2.68 O ATOM 151 CG2 THR A 10 -3.175 -11.087 2.363 1.00 2.35 C ATOM 0 H THR A 10 -3.738 -8.347 1.500 1.00 0.99 H new ATOM 0 HA THR A 10 -5.639 -9.001 3.568 1.00 1.21 H new ATOM 0 HB THR A 10 -4.919 -10.252 1.468 1.00 1.40 H new ATOM 0 HG1 THR A 10 -5.388 -12.262 2.635 1.00 2.68 H new ATOM 0 HG21 THR A 10 -3.235 -12.031 1.822 1.00 2.35 H new ATOM 0 HG22 THR A 10 -2.521 -10.401 1.825 1.00 2.35 H new ATOM 0 HG23 THR A 10 -2.773 -11.265 3.360 1.00 2.35 H new ATOM 159 N GLY A 11 -4.323 -9.298 5.647 1.00 1.30 N ATOM 160 CA GLY A 11 -3.639 -9.365 6.928 1.00 1.33 C ATOM 161 C GLY A 11 -4.067 -8.166 7.756 1.00 1.64 C ATOM 162 O GLY A 11 -4.567 -8.335 8.868 1.00 2.85 O ATOM 0 H GLY A 11 -5.333 -9.416 5.729 1.00 1.30 H new ATOM 0 HA2 GLY A 11 -3.888 -10.292 7.444 1.00 1.33 H new ATOM 0 HA3 GLY A 11 -2.559 -9.361 6.783 1.00 1.33 H new ATOM 166 N MET A 12 -3.952 -6.962 7.182 1.00 1.44 N ATOM 167 CA MET A 12 -4.667 -5.759 7.564 1.00 1.75 C ATOM 168 C MET A 12 -4.073 -5.173 8.837 1.00 2.28 C ATOM 169 O MET A 12 -3.451 -4.118 8.808 1.00 2.95 O ATOM 170 CB MET A 12 -6.173 -6.005 7.718 1.00 1.90 C ATOM 171 CG MET A 12 -6.848 -6.466 6.421 1.00 2.11 C ATOM 172 SD MET A 12 -8.550 -7.027 6.666 1.00 2.96 S ATOM 173 CE MET A 12 -8.984 -7.507 4.986 1.00 4.25 C ATOM 0 H MET A 12 -3.321 -6.803 6.397 1.00 1.44 H new ATOM 0 HA MET A 12 -4.549 -5.035 6.758 1.00 1.75 H new ATOM 0 HB2 MET A 12 -6.334 -6.757 8.490 1.00 1.90 H new ATOM 0 HB3 MET A 12 -6.651 -5.088 8.062 1.00 1.90 H new ATOM 0 HG2 MET A 12 -6.842 -5.645 5.704 1.00 2.11 H new ATOM 0 HG3 MET A 12 -6.265 -7.276 5.983 1.00 2.11 H new ATOM 0 HE1 MET A 12 -9.976 -7.959 4.981 1.00 4.25 H new ATOM 0 HE2 MET A 12 -8.984 -6.626 4.344 1.00 4.25 H new ATOM 0 HE3 MET A 12 -8.255 -8.227 4.614 1.00 4.25 H new ATOM 183 N THR A 13 -4.284 -5.875 9.949 1.00 2.48 N ATOM 184 CA THR A 13 -3.726 -5.586 11.256 1.00 3.15 C ATOM 185 C THR A 13 -2.727 -6.676 11.650 1.00 2.67 C ATOM 186 O THR A 13 -2.367 -6.747 12.827 1.00 3.47 O ATOM 187 CB THR A 13 -4.873 -5.475 12.279 1.00 4.06 C ATOM 188 OG1 THR A 13 -4.374 -5.078 13.539 1.00 4.84 O ATOM 189 CG2 THR A 13 -5.667 -6.778 12.443 1.00 4.33 C ATOM 0 H THR A 13 -4.881 -6.702 9.956 1.00 2.48 H new ATOM 0 HA THR A 13 -3.188 -4.638 11.233 1.00 3.15 H new ATOM 0 HB THR A 13 -5.556 -4.722 11.885 1.00 4.06 H new ATOM 0 HG1 THR A 13 -3.518 -5.525 13.708 1.00 4.84 H new ATOM 0 HG21 THR A 13 -6.459 -6.631 13.177 1.00 4.33 H new ATOM 0 HG22 THR A 13 -6.107 -7.059 11.486 1.00 4.33 H new ATOM 0 HG23 THR A 13 -5.000 -7.570 12.782 1.00 4.33 H new ATOM 197 N CYS A 14 -2.324 -7.556 10.721 1.00 1.77 N ATOM 198 CA CYS A 14 -1.443 -8.650 11.077 1.00 1.38 C ATOM 199 C CYS A 14 -0.101 -8.087 11.565 1.00 1.71 C ATOM 200 O CYS A 14 0.316 -6.994 11.170 1.00 3.25 O ATOM 201 CB CYS A 14 -1.403 -9.755 10.011 1.00 1.74 C ATOM 202 SG CYS A 14 -0.525 -9.333 8.488 1.00 2.31 S ATOM 0 H CYS A 14 -2.595 -7.524 9.738 1.00 1.77 H new ATOM 0 HA CYS A 14 -1.843 -9.201 11.928 1.00 1.38 H new ATOM 0 HB2 CYS A 14 -0.937 -10.639 10.446 1.00 1.74 H new ATOM 0 HB3 CYS A 14 -2.427 -10.028 9.756 1.00 1.74 H new ATOM 0 HG CYS A 14 -0.560 -10.345 7.672 1.00 2.31 H new ATOM 207 N ALA A 15 0.500 -8.763 12.546 1.00 1.68 N ATOM 208 CA ALA A 15 1.491 -8.156 13.422 1.00 2.17 C ATOM 209 C ALA A 15 2.611 -7.478 12.635 1.00 2.35 C ATOM 210 O ALA A 15 3.421 -8.142 11.994 1.00 3.33 O ATOM 211 CB ALA A 15 2.046 -9.208 14.388 1.00 2.69 C ATOM 0 H ALA A 15 0.311 -9.744 12.751 1.00 1.68 H new ATOM 0 HA ALA A 15 0.999 -7.373 13.999 1.00 2.17 H new ATOM 0 HB1 ALA A 15 2.787 -8.747 15.041 1.00 2.69 H new ATOM 0 HB2 ALA A 15 1.233 -9.613 14.991 1.00 2.69 H new ATOM 0 HB3 ALA A 15 2.513 -10.013 13.820 1.00 2.69 H new ATOM 217 N SER A 16 2.625 -6.141 12.685 1.00 1.86 N ATOM 218 CA SER A 16 3.642 -5.287 12.091 1.00 2.15 C ATOM 219 C SER A 16 3.625 -5.276 10.564 1.00 2.15 C ATOM 220 O SER A 16 4.501 -4.641 9.985 1.00 2.63 O ATOM 221 CB SER A 16 5.032 -5.706 12.550 1.00 2.79 C ATOM 222 OG SER A 16 5.054 -6.026 13.931 1.00 3.02 O ATOM 0 H SER A 16 1.896 -5.610 13.161 1.00 1.86 H new ATOM 0 HA SER A 16 3.403 -4.280 12.433 1.00 2.15 H new ATOM 0 HB2 SER A 16 5.362 -6.569 11.971 1.00 2.79 H new ATOM 0 HB3 SER A 16 5.739 -4.900 12.352 1.00 2.79 H new ATOM 0 HG SER A 16 5.961 -6.292 14.191 1.00 3.02 H new ATOM 228 N CYS A 17 2.641 -5.905 9.914 1.00 1.89 N ATOM 229 CA CYS A 17 2.328 -5.679 8.505 1.00 1.93 C ATOM 230 C CYS A 17 2.357 -4.180 8.235 1.00 1.54 C ATOM 231 O CYS A 17 3.004 -3.660 7.322 1.00 1.57 O ATOM 232 CB CYS A 17 0.907 -6.220 8.313 1.00 2.01 C ATOM 233 SG CYS A 17 0.291 -6.229 6.620 1.00 3.79 S ATOM 0 H CYS A 17 2.034 -6.593 10.359 1.00 1.89 H new ATOM 0 HA CYS A 17 3.034 -6.164 7.831 1.00 1.93 H new ATOM 0 HB2 CYS A 17 0.872 -7.239 8.697 1.00 2.01 H new ATOM 0 HB3 CYS A 17 0.227 -5.626 8.923 1.00 2.01 H new ATOM 0 HG CYS A 17 0.928 -7.129 5.931 1.00 3.79 H new ATOM 238 N VAL A 18 1.651 -3.496 9.127 1.00 1.28 N ATOM 239 CA VAL A 18 1.349 -2.101 9.067 1.00 1.07 C ATOM 240 C VAL A 18 2.602 -1.286 9.372 1.00 0.85 C ATOM 241 O VAL A 18 2.934 -0.355 8.641 1.00 0.72 O ATOM 242 CB VAL A 18 0.138 -1.922 9.997 1.00 1.30 C ATOM 243 CG1 VAL A 18 0.190 -0.646 10.803 1.00 2.07 C ATOM 244 CG2 VAL A 18 -1.121 -2.126 9.155 1.00 2.60 C ATOM 0 H VAL A 18 1.258 -3.942 9.955 1.00 1.28 H new ATOM 0 HA VAL A 18 1.065 -1.723 8.085 1.00 1.07 H new ATOM 0 HB VAL A 18 0.140 -2.675 10.785 1.00 1.30 H new ATOM 0 HG11 VAL A 18 -0.693 -0.581 11.438 1.00 2.07 H new ATOM 0 HG12 VAL A 18 1.085 -0.645 11.425 1.00 2.07 H new ATOM 0 HG13 VAL A 18 0.216 0.210 10.128 1.00 2.07 H new ATOM 0 HG21 VAL A 18 -2.003 -2.006 9.784 1.00 2.60 H new ATOM 0 HG22 VAL A 18 -1.145 -1.389 8.352 1.00 2.60 H new ATOM 0 HG23 VAL A 18 -1.114 -3.129 8.727 1.00 2.60 H new ATOM 254 N ALA A 19 3.324 -1.661 10.430 1.00 0.96 N ATOM 255 CA ALA A 19 4.586 -1.029 10.772 1.00 0.91 C ATOM 256 C ALA A 19 5.574 -1.160 9.612 1.00 0.88 C ATOM 257 O ALA A 19 6.270 -0.200 9.294 1.00 0.85 O ATOM 258 CB ALA A 19 5.153 -1.647 12.051 1.00 1.13 C ATOM 0 H ALA A 19 3.046 -2.408 11.067 1.00 0.96 H new ATOM 0 HA ALA A 19 4.416 0.032 10.953 1.00 0.91 H new ATOM 0 HB1 ALA A 19 6.099 -1.166 12.299 1.00 1.13 H new ATOM 0 HB2 ALA A 19 4.447 -1.502 12.869 1.00 1.13 H new ATOM 0 HB3 ALA A 19 5.317 -2.714 11.898 1.00 1.13 H new ATOM 264 N ASN A 20 5.625 -2.337 8.982 1.00 1.05 N ATOM 265 CA ASN A 20 6.482 -2.627 7.841 1.00 1.19 C ATOM 266 C ASN A 20 6.119 -1.675 6.712 1.00 1.05 C ATOM 267 O ASN A 20 6.938 -0.862 6.298 1.00 1.05 O ATOM 268 CB ASN A 20 6.329 -4.103 7.442 1.00 1.45 C ATOM 269 CG ASN A 20 6.823 -4.411 6.031 1.00 1.80 C ATOM 270 OD1 ASN A 20 7.978 -4.771 5.840 1.00 2.00 O ATOM 271 ND2 ASN A 20 5.943 -4.327 5.032 1.00 2.05 N ATOM 0 H ASN A 20 5.053 -3.133 9.264 1.00 1.05 H new ATOM 0 HA ASN A 20 7.532 -2.474 8.089 1.00 1.19 H new ATOM 0 HB2 ASN A 20 6.878 -4.721 8.153 1.00 1.45 H new ATOM 0 HB3 ASN A 20 5.279 -4.384 7.519 1.00 1.45 H new ATOM 0 HD21 ASN A 20 6.226 -4.566 4.082 1.00 2.05 H new ATOM 0 HD22 ASN A 20 4.987 -4.024 5.219 1.00 2.05 H new ATOM 278 N ILE A 21 4.869 -1.735 6.257 1.00 1.05 N ATOM 279 CA ILE A 21 4.322 -0.816 5.278 1.00 1.02 C ATOM 280 C ILE A 21 4.724 0.630 5.586 1.00 0.85 C ATOM 281 O ILE A 21 5.318 1.275 4.731 1.00 0.95 O ATOM 282 CB ILE A 21 2.805 -1.073 5.206 1.00 1.17 C ATOM 283 CG1 ILE A 21 2.533 -2.071 4.067 1.00 1.72 C ATOM 284 CG2 ILE A 21 1.974 0.202 5.114 1.00 1.56 C ATOM 285 CD1 ILE A 21 1.129 -2.683 4.110 1.00 1.84 C ATOM 0 H ILE A 21 4.200 -2.440 6.568 1.00 1.05 H new ATOM 0 HA ILE A 21 4.736 -0.987 4.284 1.00 1.02 H new ATOM 0 HB ILE A 21 2.477 -1.515 6.147 1.00 1.17 H new ATOM 0 HG12 ILE A 21 2.671 -1.565 3.111 1.00 1.72 H new ATOM 0 HG13 ILE A 21 3.271 -2.872 4.113 1.00 1.72 H new ATOM 0 HG21 ILE A 21 0.916 -0.056 5.067 1.00 1.56 H new ATOM 0 HG22 ILE A 21 2.158 0.820 5.993 1.00 1.56 H new ATOM 0 HG23 ILE A 21 2.253 0.754 4.217 1.00 1.56 H new ATOM 0 HD11 ILE A 21 1.009 -3.376 3.278 1.00 1.84 H new ATOM 0 HD12 ILE A 21 0.994 -3.218 5.050 1.00 1.84 H new ATOM 0 HD13 ILE A 21 0.384 -1.891 4.033 1.00 1.84 H new ATOM 297 N GLU A 22 4.461 1.147 6.785 1.00 0.78 N ATOM 298 CA GLU A 22 4.905 2.491 7.139 1.00 0.89 C ATOM 299 C GLU A 22 6.418 2.656 6.936 1.00 1.03 C ATOM 300 O GLU A 22 6.868 3.574 6.249 1.00 1.23 O ATOM 301 CB GLU A 22 4.432 2.839 8.563 1.00 0.91 C ATOM 302 CG GLU A 22 3.282 3.861 8.517 1.00 1.30 C ATOM 303 CD GLU A 22 3.792 5.282 8.740 1.00 2.89 C ATOM 304 OE1 GLU A 22 4.866 5.595 8.183 1.00 3.92 O ATOM 305 OE2 GLU A 22 3.101 6.026 9.467 1.00 3.78 O ATOM 0 H GLU A 22 3.948 0.660 7.520 1.00 0.78 H new ATOM 0 HA GLU A 22 4.446 3.213 6.464 1.00 0.89 H new ATOM 0 HB2 GLU A 22 4.102 1.934 9.074 1.00 0.91 H new ATOM 0 HB3 GLU A 22 5.263 3.245 9.139 1.00 0.91 H new ATOM 0 HG2 GLU A 22 2.778 3.801 7.553 1.00 1.30 H new ATOM 0 HG3 GLU A 22 2.543 3.614 9.279 1.00 1.30 H new ATOM 312 N ARG A 23 7.209 1.724 7.474 1.00 1.04 N ATOM 313 CA ARG A 23 8.656 1.700 7.306 1.00 1.32 C ATOM 314 C ARG A 23 9.068 1.835 5.836 1.00 1.41 C ATOM 315 O ARG A 23 9.991 2.598 5.540 1.00 1.76 O ATOM 316 CB ARG A 23 9.266 0.418 7.910 1.00 1.39 C ATOM 317 CG ARG A 23 10.337 0.695 8.967 1.00 1.83 C ATOM 318 CD ARG A 23 11.577 1.387 8.383 1.00 2.72 C ATOM 319 NE ARG A 23 12.662 1.480 9.374 1.00 3.51 N ATOM 320 CZ ARG A 23 12.711 2.345 10.401 1.00 3.91 C ATOM 321 NH1 ARG A 23 11.714 3.217 10.588 1.00 4.16 N ATOM 322 NH2 ARG A 23 13.756 2.332 11.237 1.00 4.84 N ATOM 0 H ARG A 23 6.853 0.957 8.045 1.00 1.04 H new ATOM 0 HA ARG A 23 9.047 2.564 7.844 1.00 1.32 H new ATOM 0 HB2 ARG A 23 8.471 -0.178 8.357 1.00 1.39 H new ATOM 0 HB3 ARG A 23 9.702 -0.180 7.110 1.00 1.39 H new ATOM 0 HG2 ARG A 23 9.913 1.320 9.753 1.00 1.83 H new ATOM 0 HG3 ARG A 23 10.635 -0.245 9.432 1.00 1.83 H new ATOM 0 HD2 ARG A 23 11.926 0.834 7.511 1.00 2.72 H new ATOM 0 HD3 ARG A 23 11.309 2.387 8.041 1.00 2.72 H new ATOM 0 HE ARG A 23 13.443 0.832 9.272 1.00 3.51 H new ATOM 0 HH11 ARG A 23 10.917 3.225 9.951 1.00 4.16 H new ATOM 0 HH12 ARG A 23 11.751 3.874 11.367 1.00 4.16 H new ATOM 0 HH21 ARG A 23 14.515 1.666 11.094 1.00 4.84 H new ATOM 0 HH22 ARG A 23 13.794 2.989 12.017 1.00 4.84 H new ATOM 336 N ASN A 24 8.467 1.048 4.938 1.00 1.34 N ATOM 337 CA ASN A 24 8.821 1.064 3.519 1.00 1.72 C ATOM 338 C ASN A 24 8.241 2.292 2.801 1.00 1.68 C ATOM 339 O ASN A 24 8.972 3.071 2.203 1.00 2.16 O ATOM 340 CB ASN A 24 8.518 -0.244 2.744 1.00 2.11 C ATOM 341 CG ASN A 24 8.012 -1.458 3.521 1.00 2.43 C ATOM 342 OD1 ASN A 24 8.651 -1.923 4.458 1.00 3.57 O ATOM 343 ND2 ASN A 24 6.863 -1.988 3.091 1.00 2.37 N ATOM 0 H ASN A 24 7.727 0.387 5.174 1.00 1.34 H new ATOM 0 HA ASN A 24 9.908 1.138 3.515 1.00 1.72 H new ATOM 0 HB2 ASN A 24 7.778 -0.010 1.978 1.00 2.11 H new ATOM 0 HB3 ASN A 24 9.430 -0.540 2.226 1.00 2.11 H new ATOM 0 HD21 ASN A 24 6.481 -2.816 3.547 1.00 2.37 H new ATOM 0 HD22 ASN A 24 6.368 -1.564 2.306 1.00 2.37 H new ATOM 350 N LEU A 25 6.912 2.420 2.804 1.00 1.24 N ATOM 351 CA LEU A 25 6.121 3.108 1.793 1.00 1.01 C ATOM 352 C LEU A 25 6.305 4.623 1.835 1.00 1.12 C ATOM 353 O LEU A 25 6.337 5.265 0.798 1.00 1.37 O ATOM 354 CB LEU A 25 4.632 2.765 2.002 1.00 1.05 C ATOM 355 CG LEU A 25 4.176 1.327 1.671 1.00 1.59 C ATOM 356 CD1 LEU A 25 3.497 1.210 0.316 1.00 1.48 C ATOM 357 CD2 LEU A 25 5.235 0.236 1.650 1.00 3.04 C ATOM 0 H LEU A 25 6.336 2.027 3.548 1.00 1.24 H new ATOM 0 HA LEU A 25 6.465 2.769 0.816 1.00 1.01 H new ATOM 0 HB2 LEU A 25 4.385 2.964 3.045 1.00 1.05 H new ATOM 0 HB3 LEU A 25 4.041 3.453 1.397 1.00 1.05 H new ATOM 0 HG LEU A 25 3.509 1.160 2.517 1.00 1.59 H new ATOM 0 HD11 LEU A 25 3.201 0.175 0.145 1.00 1.48 H new ATOM 0 HD12 LEU A 25 2.613 1.848 0.296 1.00 1.48 H new ATOM 0 HD13 LEU A 25 4.189 1.523 -0.466 1.00 1.48 H new ATOM 0 HD21 LEU A 25 4.769 -0.718 1.404 1.00 3.04 H new ATOM 0 HD22 LEU A 25 5.990 0.476 0.901 1.00 3.04 H new ATOM 0 HD23 LEU A 25 5.706 0.167 2.630 1.00 3.04 H new ATOM 369 N ARG A 26 6.446 5.197 3.027 1.00 1.26 N ATOM 370 CA ARG A 26 6.221 6.588 3.399 1.00 2.01 C ATOM 371 C ARG A 26 6.273 7.580 2.232 1.00 3.26 C ATOM 372 O ARG A 26 5.241 8.097 1.806 1.00 4.41 O ATOM 373 CB ARG A 26 7.352 6.931 4.413 1.00 1.50 C ATOM 374 CG ARG A 26 8.559 5.976 4.244 1.00 2.31 C ATOM 375 CD ARG A 26 9.921 6.375 4.818 1.00 3.54 C ATOM 376 NE ARG A 26 10.694 5.134 4.997 1.00 4.80 N ATOM 377 CZ ARG A 26 11.985 4.859 4.757 1.00 6.23 C ATOM 378 NH1 ARG A 26 12.842 5.775 4.309 1.00 6.81 N ATOM 379 NH2 ARG A 26 12.402 3.612 4.984 1.00 7.70 N ATOM 0 H ARG A 26 6.749 4.647 3.831 1.00 1.26 H new ATOM 0 HA ARG A 26 5.213 6.684 3.802 1.00 2.01 H new ATOM 0 HB2 ARG A 26 7.676 7.961 4.267 1.00 1.50 H new ATOM 0 HB3 ARG A 26 6.967 6.859 5.430 1.00 1.50 H new ATOM 0 HG2 ARG A 26 8.284 5.020 4.689 1.00 2.31 H new ATOM 0 HG3 ARG A 26 8.692 5.804 3.176 1.00 2.31 H new ATOM 0 HD2 ARG A 26 10.438 7.058 4.144 1.00 3.54 H new ATOM 0 HD3 ARG A 26 9.801 6.895 5.768 1.00 3.54 H new ATOM 0 HE ARG A 26 10.156 4.350 5.366 1.00 4.80 H new ATOM 0 HH11 ARG A 26 12.525 6.729 4.135 1.00 6.81 H new ATOM 0 HH12 ARG A 26 13.816 5.523 4.140 1.00 6.81 H new ATOM 0 HH21 ARG A 26 11.747 2.910 5.327 1.00 7.70 H new ATOM 0 HH22 ARG A 26 13.376 3.361 4.814 1.00 7.70 H new ATOM 393 N ARG A 27 7.481 7.860 1.752 1.00 3.71 N ATOM 394 CA ARG A 27 7.800 8.545 0.506 1.00 4.66 C ATOM 395 C ARG A 27 8.011 7.654 -0.724 1.00 3.37 C ATOM 396 O ARG A 27 7.936 8.097 -1.871 1.00 4.17 O ATOM 397 CB ARG A 27 8.861 9.615 0.737 1.00 6.29 C ATOM 398 CG ARG A 27 10.144 8.947 1.190 1.00 6.40 C ATOM 399 CD ARG A 27 11.238 9.949 1.576 1.00 7.91 C ATOM 400 NE ARG A 27 10.936 10.641 2.841 1.00 9.44 N ATOM 401 CZ ARG A 27 10.363 11.850 2.972 1.00 11.20 C ATOM 402 NH1 ARG A 27 9.957 12.525 1.891 1.00 11.70 N ATOM 403 NH2 ARG A 27 10.194 12.376 4.190 1.00 12.69 N ATOM 0 H ARG A 27 8.323 7.594 2.262 1.00 3.71 H new ATOM 0 HA ARG A 27 6.890 9.062 0.203 1.00 4.66 H new ATOM 0 HB2 ARG A 27 9.033 10.179 -0.180 1.00 6.29 H new ATOM 0 HB3 ARG A 27 8.521 10.326 1.489 1.00 6.29 H new ATOM 0 HG2 ARG A 27 9.930 8.304 2.044 1.00 6.40 H new ATOM 0 HG3 ARG A 27 10.514 8.304 0.391 1.00 6.40 H new ATOM 0 HD2 ARG A 27 12.191 9.427 1.667 1.00 7.91 H new ATOM 0 HD3 ARG A 27 11.352 10.684 0.780 1.00 7.91 H new ATOM 0 HE ARG A 27 11.186 10.155 3.702 1.00 9.44 H new ATOM 0 HH11 ARG A 27 10.082 12.123 0.962 1.00 11.70 H new ATOM 0 HH12 ARG A 27 9.523 13.442 1.996 1.00 11.70 H new ATOM 0 HH21 ARG A 27 10.499 11.860 5.015 1.00 12.69 H new ATOM 0 HH22 ARG A 27 9.760 13.293 4.294 1.00 12.69 H new ATOM 417 N GLU A 28 8.489 6.444 -0.461 1.00 1.92 N ATOM 418 CA GLU A 28 9.575 5.843 -1.217 1.00 2.08 C ATOM 419 C GLU A 28 9.015 5.257 -2.498 1.00 1.91 C ATOM 420 O GLU A 28 8.015 4.547 -2.473 1.00 3.06 O ATOM 421 CB GLU A 28 10.330 4.836 -0.341 1.00 3.75 C ATOM 422 CG GLU A 28 10.717 5.421 1.037 1.00 4.45 C ATOM 423 CD GLU A 28 11.900 6.378 1.051 1.00 5.75 C ATOM 424 OE1 GLU A 28 12.538 6.571 0.001 1.00 6.15 O ATOM 425 OE2 GLU A 28 12.117 6.945 2.147 1.00 6.80 O ATOM 0 H GLU A 28 8.131 5.851 0.287 1.00 1.92 H new ATOM 0 HA GLU A 28 10.314 6.589 -1.509 1.00 2.08 H new ATOM 0 HB2 GLU A 28 9.711 3.951 -0.195 1.00 3.75 H new ATOM 0 HB3 GLU A 28 11.232 4.512 -0.861 1.00 3.75 H new ATOM 0 HG2 GLU A 28 9.850 5.941 1.444 1.00 4.45 H new ATOM 0 HG3 GLU A 28 10.938 4.593 1.711 1.00 4.45 H new ATOM 432 N GLU A 29 9.628 5.622 -3.620 1.00 1.59 N ATOM 433 CA GLU A 29 9.146 5.313 -4.944 1.00 2.25 C ATOM 434 C GLU A 29 7.756 5.907 -5.179 1.00 1.78 C ATOM 435 O GLU A 29 6.812 5.246 -5.604 1.00 2.24 O ATOM 436 CB GLU A 29 9.303 3.812 -5.213 1.00 3.52 C ATOM 437 CG GLU A 29 10.776 3.406 -5.403 1.00 4.08 C ATOM 438 CD GLU A 29 11.626 3.620 -4.154 1.00 4.45 C ATOM 439 OE1 GLU A 29 12.111 4.763 -3.990 1.00 4.75 O ATOM 440 OE2 GLU A 29 11.741 2.653 -3.371 1.00 5.09 O ATOM 0 H GLU A 29 10.497 6.155 -3.623 1.00 1.59 H new ATOM 0 HA GLU A 29 9.756 5.800 -5.705 1.00 2.25 H new ATOM 0 HB2 GLU A 29 8.877 3.249 -4.382 1.00 3.52 H new ATOM 0 HB3 GLU A 29 8.736 3.543 -6.104 1.00 3.52 H new ATOM 0 HG2 GLU A 29 10.822 2.355 -5.690 1.00 4.08 H new ATOM 0 HG3 GLU A 29 11.201 3.980 -6.226 1.00 4.08 H new ATOM 447 N GLY A 30 7.688 7.226 -4.980 1.00 1.26 N ATOM 448 CA GLY A 30 6.615 8.072 -5.470 1.00 0.89 C ATOM 449 C GLY A 30 5.338 7.937 -4.651 1.00 0.76 C ATOM 450 O GLY A 30 4.251 8.130 -5.194 1.00 0.86 O ATOM 0 H GLY A 30 8.399 7.741 -4.460 1.00 1.26 H new ATOM 0 HA2 GLY A 30 6.942 9.112 -5.456 1.00 0.89 H new ATOM 0 HA3 GLY A 30 6.404 7.818 -6.509 1.00 0.89 H new ATOM 454 N ILE A 31 5.466 7.651 -3.355 1.00 0.72 N ATOM 455 CA ILE A 31 4.347 7.672 -2.407 1.00 0.60 C ATOM 456 C ILE A 31 4.339 9.027 -1.704 1.00 0.66 C ATOM 457 O ILE A 31 5.404 9.586 -1.464 1.00 0.85 O ATOM 458 CB ILE A 31 4.503 6.531 -1.388 1.00 0.78 C ATOM 459 CG1 ILE A 31 4.767 5.239 -2.159 1.00 1.10 C ATOM 460 CG2 ILE A 31 3.352 6.376 -0.394 1.00 1.24 C ATOM 461 CD1 ILE A 31 4.414 3.915 -1.494 1.00 2.08 C ATOM 0 H ILE A 31 6.356 7.396 -2.928 1.00 0.72 H new ATOM 0 HA ILE A 31 3.402 7.528 -2.931 1.00 0.60 H new ATOM 0 HB ILE A 31 5.347 6.785 -0.747 1.00 0.78 H new ATOM 0 HG12 ILE A 31 4.218 5.295 -3.099 1.00 1.10 H new ATOM 0 HG13 ILE A 31 5.827 5.213 -2.410 1.00 1.10 H new ATOM 0 HG21 ILE A 31 3.562 5.544 0.279 1.00 1.24 H new ATOM 0 HG22 ILE A 31 3.245 7.293 0.185 1.00 1.24 H new ATOM 0 HG23 ILE A 31 2.427 6.180 -0.936 1.00 1.24 H new ATOM 0 HD11 ILE A 31 4.660 3.093 -2.166 1.00 2.08 H new ATOM 0 HD12 ILE A 31 4.981 3.810 -0.569 1.00 2.08 H new ATOM 0 HD13 ILE A 31 3.348 3.893 -1.270 1.00 2.08 H new ATOM 473 N TYR A 32 3.163 9.549 -1.338 1.00 0.63 N ATOM 474 CA TYR A 32 3.083 10.557 -0.287 1.00 0.83 C ATOM 475 C TYR A 32 1.777 10.453 0.502 1.00 0.78 C ATOM 476 O TYR A 32 1.120 11.446 0.823 1.00 0.88 O ATOM 477 CB TYR A 32 3.142 11.949 -0.900 1.00 1.09 C ATOM 478 CG TYR A 32 4.327 12.258 -1.792 1.00 1.28 C ATOM 479 CD1 TYR A 32 4.248 11.997 -3.174 1.00 1.95 C ATOM 480 CD2 TYR A 32 5.543 12.691 -1.231 1.00 2.27 C ATOM 481 CE1 TYR A 32 5.388 12.130 -3.985 1.00 2.58 C ATOM 482 CE2 TYR A 32 6.678 12.844 -2.047 1.00 2.75 C ATOM 483 CZ TYR A 32 6.606 12.539 -3.416 1.00 2.64 C ATOM 484 OH TYR A 32 7.716 12.680 -4.195 1.00 3.42 O ATOM 0 H TYR A 32 2.267 9.291 -1.751 1.00 0.63 H new ATOM 0 HA TYR A 32 3.924 10.385 0.385 1.00 0.83 H new ATOM 0 HB2 TYR A 32 2.232 12.102 -1.480 1.00 1.09 H new ATOM 0 HB3 TYR A 32 3.129 12.677 -0.089 1.00 1.09 H new ATOM 0 HD1 TYR A 32 3.308 11.694 -3.612 1.00 1.95 H new ATOM 0 HD2 TYR A 32 5.604 12.906 -0.174 1.00 2.27 H new ATOM 0 HE1 TYR A 32 5.328 11.918 -5.042 1.00 2.58 H new ATOM 0 HE2 TYR A 32 7.606 13.196 -1.621 1.00 2.75 H new ATOM 0 HH TYR A 32 8.470 12.971 -3.641 1.00 3.42 H new ATOM 494 N SER A 33 1.445 9.237 0.889 1.00 0.72 N ATOM 495 CA SER A 33 0.707 8.869 2.095 1.00 0.84 C ATOM 496 C SER A 33 0.877 7.371 2.288 1.00 0.94 C ATOM 497 O SER A 33 0.909 6.643 1.298 1.00 1.07 O ATOM 498 CB SER A 33 -0.786 9.224 2.047 1.00 0.91 C ATOM 499 OG SER A 33 -1.361 9.094 3.332 1.00 1.75 O ATOM 0 H SER A 33 1.699 8.419 0.335 1.00 0.72 H new ATOM 0 HA SER A 33 1.113 9.443 2.928 1.00 0.84 H new ATOM 0 HB2 SER A 33 -0.913 10.244 1.685 1.00 0.91 H new ATOM 0 HB3 SER A 33 -1.300 8.570 1.343 1.00 0.91 H new ATOM 0 HG SER A 33 -2.313 9.325 3.289 1.00 1.75 H new ATOM 505 N ILE A 34 0.895 6.898 3.532 1.00 1.05 N ATOM 506 CA ILE A 34 0.956 5.470 3.773 1.00 1.04 C ATOM 507 C ILE A 34 -0.437 4.854 3.672 1.00 1.31 C ATOM 508 O ILE A 34 -1.425 5.357 4.203 1.00 1.86 O ATOM 509 CB ILE A 34 1.671 5.137 5.094 1.00 1.47 C ATOM 510 CG1 ILE A 34 1.022 5.772 6.340 1.00 2.22 C ATOM 511 CG2 ILE A 34 3.139 5.560 4.978 1.00 1.16 C ATOM 512 CD1 ILE A 34 0.083 4.801 7.060 1.00 2.44 C ATOM 0 H ILE A 34 0.869 7.476 4.372 1.00 1.05 H new ATOM 0 HA ILE A 34 1.566 5.015 2.993 1.00 1.04 H new ATOM 0 HB ILE A 34 1.585 4.061 5.244 1.00 1.47 H new ATOM 0 HG12 ILE A 34 1.802 6.098 7.028 1.00 2.22 H new ATOM 0 HG13 ILE A 34 0.466 6.661 6.045 1.00 2.22 H new ATOM 0 HG21 ILE A 34 3.659 5.330 5.908 1.00 1.16 H new ATOM 0 HG22 ILE A 34 3.609 5.020 4.156 1.00 1.16 H new ATOM 0 HG23 ILE A 34 3.195 6.632 4.787 1.00 1.16 H new ATOM 0 HD11 ILE A 34 -0.351 5.293 7.931 1.00 2.44 H new ATOM 0 HD12 ILE A 34 -0.714 4.495 6.382 1.00 2.44 H new ATOM 0 HD13 ILE A 34 0.644 3.923 7.381 1.00 2.44 H new ATOM 524 N LEU A 35 -0.485 3.735 2.961 1.00 1.30 N ATOM 525 CA LEU A 35 -1.648 2.994 2.571 1.00 1.92 C ATOM 526 C LEU A 35 -2.167 2.120 3.711 1.00 1.34 C ATOM 527 O LEU A 35 -2.194 0.904 3.596 1.00 1.50 O ATOM 528 CB LEU A 35 -1.294 2.250 1.265 1.00 2.91 C ATOM 529 CG LEU A 35 -0.417 0.994 1.404 1.00 3.74 C ATOM 530 CD1 LEU A 35 0.141 0.490 0.077 1.00 4.06 C ATOM 531 CD2 LEU A 35 0.761 1.172 2.351 1.00 4.71 C ATOM 0 H LEU A 35 0.370 3.296 2.620 1.00 1.30 H new ATOM 0 HA LEU A 35 -2.497 3.645 2.362 1.00 1.92 H new ATOM 0 HB2 LEU A 35 -2.224 1.964 0.773 1.00 2.91 H new ATOM 0 HB3 LEU A 35 -0.785 2.949 0.602 1.00 2.91 H new ATOM 0 HG LEU A 35 -1.110 0.260 1.815 1.00 3.74 H new ATOM 0 HD11 LEU A 35 0.749 -0.397 0.252 1.00 4.06 H new ATOM 0 HD12 LEU A 35 -0.682 0.240 -0.592 1.00 4.06 H new ATOM 0 HD13 LEU A 35 0.755 1.267 -0.378 1.00 4.06 H new ATOM 0 HD21 LEU A 35 1.333 0.245 2.398 1.00 4.71 H new ATOM 0 HD22 LEU A 35 1.401 1.976 1.988 1.00 4.71 H new ATOM 0 HD23 LEU A 35 0.393 1.422 3.346 1.00 4.71 H new ATOM 543 N VAL A 36 -2.621 2.711 4.820 1.00 0.98 N ATOM 544 CA VAL A 36 -3.239 1.919 5.872 1.00 0.62 C ATOM 545 C VAL A 36 -4.543 2.520 6.387 1.00 0.67 C ATOM 546 O VAL A 36 -4.602 3.678 6.790 1.00 1.23 O ATOM 547 CB VAL A 36 -2.225 1.662 6.990 1.00 0.70 C ATOM 548 CG1 VAL A 36 -2.920 1.076 8.209 1.00 0.91 C ATOM 549 CG2 VAL A 36 -1.215 0.631 6.494 1.00 0.78 C ATOM 0 H VAL A 36 -2.572 3.713 5.005 1.00 0.98 H new ATOM 0 HA VAL A 36 -3.528 0.960 5.443 1.00 0.62 H new ATOM 0 HB VAL A 36 -1.743 2.603 7.257 1.00 0.70 H new ATOM 0 HG11 VAL A 36 -2.187 0.899 8.996 1.00 0.91 H new ATOM 0 HG12 VAL A 36 -3.675 1.775 8.568 1.00 0.91 H new ATOM 0 HG13 VAL A 36 -3.397 0.134 7.938 1.00 0.91 H new ATOM 0 HG21 VAL A 36 -0.483 0.433 7.277 1.00 0.78 H new ATOM 0 HG22 VAL A 36 -1.734 -0.294 6.240 1.00 0.78 H new ATOM 0 HG23 VAL A 36 -0.706 1.016 5.610 1.00 0.78 H new ATOM 559 N ALA A 37 -5.554 1.652 6.461 1.00 0.63 N ATOM 560 CA ALA A 37 -6.674 1.721 7.371 1.00 0.72 C ATOM 561 C ALA A 37 -6.900 0.285 7.838 1.00 0.70 C ATOM 562 O ALA A 37 -7.820 -0.388 7.370 1.00 0.75 O ATOM 563 CB ALA A 37 -7.893 2.319 6.663 1.00 0.87 C ATOM 0 H ALA A 37 -5.606 0.839 5.847 1.00 0.63 H new ATOM 0 HA ALA A 37 -6.490 2.371 8.226 1.00 0.72 H new ATOM 0 HB1 ALA A 37 -8.731 2.366 7.359 1.00 0.87 H new ATOM 0 HB2 ALA A 37 -7.654 3.324 6.314 1.00 0.87 H new ATOM 0 HB3 ALA A 37 -8.163 1.694 5.812 1.00 0.87 H new ATOM 569 N LEU A 38 -6.044 -0.204 8.748 1.00 0.78 N ATOM 570 CA LEU A 38 -6.235 -1.527 9.336 1.00 0.84 C ATOM 571 C LEU A 38 -7.619 -1.620 9.936 1.00 0.99 C ATOM 572 O LEU A 38 -8.270 -2.658 9.843 1.00 1.31 O ATOM 573 CB LEU A 38 -5.253 -1.876 10.460 1.00 1.08 C ATOM 574 CG LEU A 38 -5.021 -0.832 11.568 1.00 2.20 C ATOM 575 CD1 LEU A 38 -5.010 -1.524 12.936 1.00 2.78 C ATOM 576 CD2 LEU A 38 -3.681 -0.133 11.352 1.00 3.37 C ATOM 0 H LEU A 38 -5.222 0.296 9.087 1.00 0.78 H new ATOM 0 HA LEU A 38 -6.072 -2.224 8.514 1.00 0.84 H new ATOM 0 HB2 LEU A 38 -5.601 -2.794 10.934 1.00 1.08 H new ATOM 0 HB3 LEU A 38 -4.288 -2.098 10.004 1.00 1.08 H new ATOM 0 HG LEU A 38 -5.825 -0.097 11.534 1.00 2.20 H new ATOM 0 HD11 LEU A 38 -4.846 -0.782 13.718 1.00 2.78 H new ATOM 0 HD12 LEU A 38 -5.967 -2.019 13.101 1.00 2.78 H new ATOM 0 HD13 LEU A 38 -4.210 -2.263 12.963 1.00 2.78 H new ATOM 0 HD21 LEU A 38 -3.524 0.604 12.140 1.00 3.37 H new ATOM 0 HD22 LEU A 38 -2.878 -0.870 11.379 1.00 3.37 H new ATOM 0 HD23 LEU A 38 -3.683 0.366 10.383 1.00 3.37 H new ATOM 588 N MET A 39 -8.056 -0.533 10.574 1.00 1.01 N ATOM 589 CA MET A 39 -9.189 -0.562 11.466 1.00 1.21 C ATOM 590 C MET A 39 -10.484 -0.397 10.643 1.00 1.02 C ATOM 591 O MET A 39 -11.360 0.399 10.969 1.00 1.89 O ATOM 592 CB MET A 39 -8.988 0.534 12.525 1.00 1.79 C ATOM 593 CG MET A 39 -9.912 0.388 13.739 1.00 2.69 C ATOM 594 SD MET A 39 -9.611 1.627 15.026 1.00 3.35 S ATOM 595 CE MET A 39 -10.856 1.136 16.239 1.00 4.80 C ATOM 0 H MET A 39 -7.626 0.387 10.479 1.00 1.01 H new ATOM 0 HA MET A 39 -9.276 -1.514 11.990 1.00 1.21 H new ATOM 0 HB2 MET A 39 -7.952 0.516 12.863 1.00 1.79 H new ATOM 0 HB3 MET A 39 -9.157 1.508 12.065 1.00 1.79 H new ATOM 0 HG2 MET A 39 -10.948 0.463 13.409 1.00 2.69 H new ATOM 0 HG3 MET A 39 -9.784 -0.607 14.166 1.00 2.69 H new ATOM 0 HE1 MET A 39 -10.806 1.801 17.101 1.00 4.80 H new ATOM 0 HE2 MET A 39 -11.847 1.199 15.789 1.00 4.80 H new ATOM 0 HE3 MET A 39 -10.667 0.112 16.560 1.00 4.80 H new ATOM 605 N ALA A 40 -10.550 -1.118 9.523 1.00 1.32 N ATOM 606 CA ALA A 40 -11.492 -1.010 8.417 1.00 0.99 C ATOM 607 C ALA A 40 -11.119 -2.096 7.400 1.00 0.95 C ATOM 608 O ALA A 40 -11.982 -2.686 6.748 1.00 1.42 O ATOM 609 CB ALA A 40 -11.414 0.381 7.777 1.00 1.17 C ATOM 0 H ALA A 40 -9.876 -1.865 9.355 1.00 1.32 H new ATOM 0 HA ALA A 40 -12.515 -1.146 8.767 1.00 0.99 H new ATOM 0 HB1 ALA A 40 -12.125 0.443 6.953 1.00 1.17 H new ATOM 0 HB2 ALA A 40 -11.656 1.139 8.522 1.00 1.17 H new ATOM 0 HB3 ALA A 40 -10.406 0.552 7.400 1.00 1.17 H new ATOM 615 N GLY A 41 -9.813 -2.335 7.249 1.00 0.74 N ATOM 616 CA GLY A 41 -9.222 -3.555 6.730 1.00 0.78 C ATOM 617 C GLY A 41 -8.711 -3.297 5.326 1.00 0.69 C ATOM 618 O GLY A 41 -9.063 -4.030 4.402 1.00 0.87 O ATOM 0 H GLY A 41 -9.109 -1.641 7.501 1.00 0.74 H new ATOM 0 HA2 GLY A 41 -8.405 -3.881 7.374 1.00 0.78 H new ATOM 0 HA3 GLY A 41 -9.960 -4.357 6.721 1.00 0.78 H new ATOM 622 N LYS A 42 -7.994 -2.183 5.141 1.00 0.55 N ATOM 623 CA LYS A 42 -7.842 -1.558 3.846 1.00 0.76 C ATOM 624 C LYS A 42 -6.553 -0.751 3.851 1.00 0.60 C ATOM 625 O LYS A 42 -5.899 -0.609 4.886 1.00 0.42 O ATOM 626 CB LYS A 42 -9.032 -0.624 3.558 1.00 1.11 C ATOM 627 CG LYS A 42 -10.397 -1.217 3.915 1.00 1.43 C ATOM 628 CD LYS A 42 -11.568 -0.457 3.284 1.00 1.87 C ATOM 629 CE LYS A 42 -12.915 -0.789 3.953 1.00 3.06 C ATOM 630 NZ LYS A 42 -13.066 -2.216 4.319 1.00 4.61 N ATOM 0 H LYS A 42 -7.506 -1.698 5.894 1.00 0.55 H new ATOM 0 HA LYS A 42 -7.809 -2.325 3.072 1.00 0.76 H new ATOM 0 HB2 LYS A 42 -8.895 0.303 4.115 1.00 1.11 H new ATOM 0 HB3 LYS A 42 -9.027 -0.364 2.499 1.00 1.11 H new ATOM 0 HG2 LYS A 42 -10.430 -2.257 3.591 1.00 1.43 H new ATOM 0 HG3 LYS A 42 -10.514 -1.217 4.999 1.00 1.43 H new ATOM 0 HD2 LYS A 42 -11.384 0.615 3.358 1.00 1.87 H new ATOM 0 HD3 LYS A 42 -11.624 -0.698 2.223 1.00 1.87 H new ATOM 0 HE2 LYS A 42 -13.024 -0.180 4.850 1.00 3.06 H new ATOM 0 HE3 LYS A 42 -13.724 -0.509 3.278 1.00 3.06 H new ATOM 0 HZ1 LYS A 42 -14.040 -2.392 4.637 1.00 4.61 H new ATOM 0 HZ2 LYS A 42 -12.860 -2.810 3.491 1.00 4.61 H new ATOM 0 HZ3 LYS A 42 -12.404 -2.450 5.086 1.00 4.61 H new ATOM 644 N ALA A 43 -6.226 -0.198 2.690 1.00 1.08 N ATOM 645 CA ALA A 43 -5.043 0.585 2.445 1.00 0.96 C ATOM 646 C ALA A 43 -5.408 1.696 1.459 1.00 0.91 C ATOM 647 O ALA A 43 -6.208 1.460 0.556 1.00 0.97 O ATOM 648 CB ALA A 43 -3.999 -0.381 1.877 1.00 1.01 C ATOM 0 H ALA A 43 -6.812 -0.294 1.861 1.00 1.08 H new ATOM 0 HA ALA A 43 -4.642 1.060 3.340 1.00 0.96 H new ATOM 0 HB1 ALA A 43 -3.076 0.161 1.671 1.00 1.01 H new ATOM 0 HB2 ALA A 43 -3.802 -1.171 2.602 1.00 1.01 H new ATOM 0 HB3 ALA A 43 -4.375 -0.821 0.953 1.00 1.01 H new ATOM 654 N GLU A 44 -4.851 2.902 1.622 1.00 0.89 N ATOM 655 CA GLU A 44 -4.989 3.969 0.638 1.00 0.93 C ATOM 656 C GLU A 44 -3.671 4.659 0.305 1.00 0.92 C ATOM 657 O GLU A 44 -3.227 5.573 0.997 1.00 1.56 O ATOM 658 CB GLU A 44 -6.073 4.973 1.018 1.00 1.23 C ATOM 659 CG GLU A 44 -6.031 5.565 2.434 1.00 1.47 C ATOM 660 CD GLU A 44 -6.873 6.829 2.451 1.00 2.09 C ATOM 661 OE1 GLU A 44 -8.118 6.710 2.414 1.00 2.43 O ATOM 662 OE2 GLU A 44 -6.313 7.937 2.291 1.00 3.27 O ATOM 0 H GLU A 44 -4.295 3.160 2.438 1.00 0.89 H new ATOM 0 HA GLU A 44 -5.312 3.477 -0.279 1.00 0.93 H new ATOM 0 HB2 GLU A 44 -6.030 5.799 0.308 1.00 1.23 H new ATOM 0 HB3 GLU A 44 -7.040 4.489 0.885 1.00 1.23 H new ATOM 0 HG2 GLU A 44 -6.413 4.845 3.157 1.00 1.47 H new ATOM 0 HG3 GLU A 44 -5.004 5.790 2.721 1.00 1.47 H new ATOM 669 N VAL A 45 -3.043 4.243 -0.791 1.00 0.65 N ATOM 670 CA VAL A 45 -1.789 4.785 -1.209 1.00 0.66 C ATOM 671 C VAL A 45 -2.078 6.097 -1.940 1.00 0.74 C ATOM 672 O VAL A 45 -2.752 6.103 -2.971 1.00 1.22 O ATOM 673 CB VAL A 45 -1.097 3.685 -2.035 1.00 0.80 C ATOM 674 CG1 VAL A 45 -1.565 3.534 -3.486 1.00 1.23 C ATOM 675 CG2 VAL A 45 0.404 3.886 -1.962 1.00 1.82 C ATOM 0 H VAL A 45 -3.406 3.515 -1.406 1.00 0.65 H new ATOM 0 HA VAL A 45 -1.101 5.048 -0.405 1.00 0.66 H new ATOM 0 HB VAL A 45 -1.394 2.741 -1.578 1.00 0.80 H new ATOM 0 HG11 VAL A 45 -1.007 2.730 -3.966 1.00 1.23 H new ATOM 0 HG12 VAL A 45 -2.629 3.298 -3.502 1.00 1.23 H new ATOM 0 HG13 VAL A 45 -1.392 4.467 -4.023 1.00 1.23 H new ATOM 0 HG21 VAL A 45 0.904 3.112 -2.544 1.00 1.82 H new ATOM 0 HG22 VAL A 45 0.660 4.865 -2.366 1.00 1.82 H new ATOM 0 HG23 VAL A 45 0.729 3.826 -0.923 1.00 1.82 H new ATOM 685 N ARG A 46 -1.617 7.216 -1.367 1.00 0.49 N ATOM 686 CA ARG A 46 -1.492 8.475 -2.093 1.00 0.47 C ATOM 687 C ARG A 46 -0.122 8.440 -2.743 1.00 0.48 C ATOM 688 O ARG A 46 0.863 8.168 -2.060 1.00 0.56 O ATOM 689 CB ARG A 46 -1.676 9.692 -1.181 1.00 0.53 C ATOM 690 CG ARG A 46 -1.781 10.997 -1.988 1.00 0.87 C ATOM 691 CD ARG A 46 -2.203 12.181 -1.110 1.00 1.10 C ATOM 692 NE ARG A 46 -1.212 12.451 -0.058 1.00 2.74 N ATOM 693 CZ ARG A 46 -1.334 13.335 0.941 1.00 3.54 C ATOM 694 NH1 ARG A 46 -2.410 14.124 1.021 1.00 3.17 N ATOM 695 NH2 ARG A 46 -0.361 13.406 1.854 1.00 5.43 N ATOM 0 H ARG A 46 -1.323 7.269 -0.392 1.00 0.49 H new ATOM 0 HA ARG A 46 -2.278 8.578 -2.842 1.00 0.47 H new ATOM 0 HB2 ARG A 46 -2.576 9.563 -0.579 1.00 0.53 H new ATOM 0 HB3 ARG A 46 -0.836 9.759 -0.489 1.00 0.53 H new ATOM 0 HG2 ARG A 46 -0.819 11.215 -2.453 1.00 0.87 H new ATOM 0 HG3 ARG A 46 -2.503 10.868 -2.794 1.00 0.87 H new ATOM 0 HD2 ARG A 46 -2.328 13.069 -1.730 1.00 1.10 H new ATOM 0 HD3 ARG A 46 -3.171 11.971 -0.655 1.00 1.10 H new ATOM 0 HE ARG A 46 -0.347 11.912 -0.092 1.00 2.74 H new ATOM 0 HH11 ARG A 46 -3.146 14.056 0.318 1.00 3.17 H new ATOM 0 HH12 ARG A 46 -2.495 14.794 1.785 1.00 3.17 H new ATOM 0 HH21 ARG A 46 0.452 12.795 1.781 1.00 5.43 H new ATOM 0 HH22 ARG A 46 -0.432 14.071 2.624 1.00 5.43 H new ATOM 709 N TYR A 47 -0.062 8.618 -4.059 1.00 0.48 N ATOM 710 CA TYR A 47 1.105 8.284 -4.846 1.00 0.54 C ATOM 711 C TYR A 47 1.106 9.056 -6.155 1.00 0.55 C ATOM 712 O TYR A 47 0.107 9.677 -6.516 1.00 0.55 O ATOM 713 CB TYR A 47 1.155 6.769 -5.095 1.00 0.58 C ATOM 714 CG TYR A 47 0.120 6.200 -6.058 1.00 0.55 C ATOM 715 CD1 TYR A 47 -1.261 6.389 -5.848 1.00 1.67 C ATOM 716 CD2 TYR A 47 0.540 5.370 -7.111 1.00 1.97 C ATOM 717 CE1 TYR A 47 -2.201 5.697 -6.628 1.00 1.65 C ATOM 718 CE2 TYR A 47 -0.398 4.657 -7.876 1.00 2.15 C ATOM 719 CZ TYR A 47 -1.768 4.785 -7.601 1.00 1.00 C ATOM 720 OH TYR A 47 -2.668 4.007 -8.264 1.00 1.40 O ATOM 0 H TYR A 47 -0.832 9.002 -4.607 1.00 0.48 H new ATOM 0 HA TYR A 47 1.999 8.570 -4.292 1.00 0.54 H new ATOM 0 HB2 TYR A 47 2.146 6.519 -5.474 1.00 0.58 H new ATOM 0 HB3 TYR A 47 1.043 6.263 -4.136 1.00 0.58 H new ATOM 0 HD1 TYR A 47 -1.598 7.071 -5.082 1.00 1.67 H new ATOM 0 HD2 TYR A 47 1.593 5.279 -7.334 1.00 1.97 H new ATOM 0 HE1 TYR A 47 -3.257 5.867 -6.479 1.00 1.65 H new ATOM 0 HE2 TYR A 47 -0.065 4.011 -8.675 1.00 2.15 H new ATOM 0 HH TYR A 47 -3.523 4.481 -8.332 1.00 1.40 H new ATOM 730 N ASN A 48 2.222 8.978 -6.876 1.00 0.62 N ATOM 731 CA ASN A 48 2.367 9.529 -8.210 1.00 0.70 C ATOM 732 C ASN A 48 2.422 8.388 -9.226 1.00 0.72 C ATOM 733 O ASN A 48 3.520 7.942 -9.572 1.00 0.79 O ATOM 734 CB ASN A 48 3.613 10.417 -8.298 1.00 0.95 C ATOM 735 CG ASN A 48 3.732 11.058 -9.682 1.00 1.41 C ATOM 736 OD1 ASN A 48 2.812 10.991 -10.500 1.00 2.65 O ATOM 737 ND2 ASN A 48 4.862 11.695 -9.965 1.00 1.81 N ATOM 0 H ASN A 48 3.067 8.518 -6.536 1.00 0.62 H new ATOM 0 HA ASN A 48 1.506 10.158 -8.437 1.00 0.70 H new ATOM 0 HB2 ASN A 48 3.564 11.195 -7.536 1.00 0.95 H new ATOM 0 HB3 ASN A 48 4.503 9.823 -8.091 1.00 0.95 H new ATOM 0 HD21 ASN A 48 4.982 12.141 -10.874 1.00 1.81 H new ATOM 0 HD22 ASN A 48 5.610 11.738 -9.273 1.00 1.81 H new ATOM 744 N PRO A 49 1.271 7.918 -9.744 1.00 0.87 N ATOM 745 CA PRO A 49 1.239 7.072 -10.919 1.00 0.81 C ATOM 746 C PRO A 49 1.821 7.843 -12.102 1.00 0.93 C ATOM 747 O PRO A 49 1.126 8.551 -12.833 1.00 1.60 O ATOM 748 CB PRO A 49 -0.217 6.663 -11.121 1.00 0.92 C ATOM 749 CG PRO A 49 -1.004 7.788 -10.453 1.00 1.23 C ATOM 750 CD PRO A 49 -0.083 8.225 -9.313 1.00 1.25 C ATOM 0 HA PRO A 49 1.844 6.171 -10.814 1.00 0.81 H new ATOM 0 HB2 PRO A 49 -0.465 6.574 -12.179 1.00 0.92 H new ATOM 0 HB3 PRO A 49 -0.429 5.698 -10.661 1.00 0.92 H new ATOM 0 HG2 PRO A 49 -1.205 8.606 -11.145 1.00 1.23 H new ATOM 0 HG3 PRO A 49 -1.968 7.440 -10.082 1.00 1.23 H new ATOM 0 HD2 PRO A 49 -0.194 9.290 -9.109 1.00 1.25 H new ATOM 0 HD3 PRO A 49 -0.327 7.697 -8.391 1.00 1.25 H new ATOM 758 N ALA A 50 3.137 7.711 -12.205 1.00 0.94 N ATOM 759 CA ALA A 50 4.039 8.093 -13.273 1.00 1.02 C ATOM 760 C ALA A 50 5.377 7.452 -12.912 1.00 1.00 C ATOM 761 O ALA A 50 5.886 6.605 -13.639 1.00 1.18 O ATOM 762 CB ALA A 50 4.152 9.617 -13.381 1.00 1.12 C ATOM 0 H ALA A 50 3.658 7.278 -11.442 1.00 0.94 H new ATOM 0 HA ALA A 50 3.685 7.757 -14.248 1.00 1.02 H new ATOM 0 HB1 ALA A 50 4.835 9.875 -14.190 1.00 1.12 H new ATOM 0 HB2 ALA A 50 3.169 10.041 -13.587 1.00 1.12 H new ATOM 0 HB3 ALA A 50 4.532 10.021 -12.443 1.00 1.12 H new ATOM 768 N VAL A 51 5.886 7.791 -11.722 1.00 0.89 N ATOM 769 CA VAL A 51 7.088 7.229 -11.146 1.00 0.88 C ATOM 770 C VAL A 51 6.948 5.712 -11.007 1.00 0.89 C ATOM 771 O VAL A 51 7.806 4.963 -11.460 1.00 1.03 O ATOM 772 CB VAL A 51 7.298 7.912 -9.782 1.00 0.86 C ATOM 773 CG1 VAL A 51 8.420 7.251 -8.986 1.00 0.98 C ATOM 774 CG2 VAL A 51 7.635 9.399 -9.965 1.00 0.98 C ATOM 0 H VAL A 51 5.448 8.490 -11.122 1.00 0.89 H new ATOM 0 HA VAL A 51 7.954 7.405 -11.784 1.00 0.88 H new ATOM 0 HB VAL A 51 6.364 7.807 -9.230 1.00 0.86 H new ATOM 0 HG11 VAL A 51 8.537 7.761 -8.030 1.00 0.98 H new ATOM 0 HG12 VAL A 51 8.174 6.204 -8.810 1.00 0.98 H new ATOM 0 HG13 VAL A 51 9.352 7.315 -9.548 1.00 0.98 H new ATOM 0 HG21 VAL A 51 7.779 9.862 -8.989 1.00 0.98 H new ATOM 0 HG22 VAL A 51 8.549 9.495 -10.551 1.00 0.98 H new ATOM 0 HG23 VAL A 51 6.816 9.896 -10.485 1.00 0.98 H new ATOM 784 N ILE A 52 5.879 5.276 -10.334 1.00 0.84 N ATOM 785 CA ILE A 52 5.739 3.893 -9.895 1.00 0.90 C ATOM 786 C ILE A 52 4.968 3.048 -10.908 1.00 0.90 C ATOM 787 O ILE A 52 5.583 2.240 -11.588 1.00 1.32 O ATOM 788 CB ILE A 52 5.229 3.842 -8.455 1.00 1.04 C ATOM 789 CG1 ILE A 52 5.142 2.399 -7.952 1.00 1.23 C ATOM 790 CG2 ILE A 52 3.896 4.552 -8.200 1.00 1.04 C ATOM 791 CD1 ILE A 52 6.490 1.681 -7.849 1.00 2.14 C ATOM 0 H ILE A 52 5.091 5.873 -10.081 1.00 0.84 H new ATOM 0 HA ILE A 52 6.718 3.415 -9.866 1.00 0.90 H new ATOM 0 HB ILE A 52 5.976 4.403 -7.893 1.00 1.04 H new ATOM 0 HG12 ILE A 52 4.668 2.398 -6.971 1.00 1.23 H new ATOM 0 HG13 ILE A 52 4.493 1.833 -8.620 1.00 1.23 H new ATOM 0 HG21 ILE A 52 3.627 4.455 -7.148 1.00 1.04 H new ATOM 0 HG22 ILE A 52 3.992 5.608 -8.454 1.00 1.04 H new ATOM 0 HG23 ILE A 52 3.119 4.100 -8.816 1.00 1.04 H new ATOM 0 HD11 ILE A 52 6.334 0.665 -7.485 1.00 2.14 H new ATOM 0 HD12 ILE A 52 6.960 1.646 -8.832 1.00 2.14 H new ATOM 0 HD13 ILE A 52 7.137 2.219 -7.157 1.00 2.14 H new ATOM 803 N GLN A 53 3.645 3.257 -10.993 1.00 0.79 N ATOM 804 CA GLN A 53 2.615 2.579 -11.796 1.00 0.78 C ATOM 805 C GLN A 53 1.622 1.916 -10.838 1.00 0.68 C ATOM 806 O GLN A 53 2.050 1.274 -9.886 1.00 0.64 O ATOM 807 CB GLN A 53 3.106 1.541 -12.833 1.00 0.97 C ATOM 808 CG GLN A 53 3.451 2.082 -14.228 1.00 1.10 C ATOM 809 CD GLN A 53 4.581 3.095 -14.212 1.00 1.88 C ATOM 810 OE1 GLN A 53 5.682 2.826 -14.678 1.00 2.89 O ATOM 811 NE2 GLN A 53 4.299 4.279 -13.686 1.00 2.43 N ATOM 0 H GLN A 53 3.221 3.995 -10.432 1.00 0.79 H new ATOM 0 HA GLN A 53 2.166 3.362 -12.407 1.00 0.78 H new ATOM 0 HB2 GLN A 53 3.990 1.047 -12.430 1.00 0.97 H new ATOM 0 HB3 GLN A 53 2.336 0.777 -12.943 1.00 0.97 H new ATOM 0 HG2 GLN A 53 3.726 1.250 -14.876 1.00 1.10 H new ATOM 0 HG3 GLN A 53 2.564 2.543 -14.662 1.00 1.10 H new ATOM 0 HE21 GLN A 53 3.369 4.461 -13.309 1.00 2.43 H new ATOM 0 HE22 GLN A 53 5.012 5.008 -13.659 1.00 2.43 H new ATOM 820 N PRO A 54 0.305 2.035 -11.064 1.00 0.77 N ATOM 821 CA PRO A 54 -0.712 1.313 -10.308 1.00 0.79 C ATOM 822 C PRO A 54 -0.468 -0.195 -10.197 1.00 0.72 C ATOM 823 O PRO A 54 -0.472 -0.702 -9.074 1.00 0.71 O ATOM 824 CB PRO A 54 -2.059 1.687 -10.928 1.00 0.94 C ATOM 825 CG PRO A 54 -1.735 3.107 -11.373 1.00 1.03 C ATOM 826 CD PRO A 54 -0.343 2.973 -11.965 1.00 0.93 C ATOM 0 HA PRO A 54 -0.682 1.614 -9.261 1.00 0.79 H new ATOM 0 HB2 PRO A 54 -2.334 1.038 -11.760 1.00 0.94 H new ATOM 0 HB3 PRO A 54 -2.878 1.648 -10.210 1.00 0.94 H new ATOM 0 HG2 PRO A 54 -2.452 3.473 -12.108 1.00 1.03 H new ATOM 0 HG3 PRO A 54 -1.752 3.805 -10.536 1.00 1.03 H new ATOM 0 HD2 PRO A 54 -0.373 2.596 -12.987 1.00 0.93 H new ATOM 0 HD3 PRO A 54 0.177 3.930 -11.994 1.00 0.93 H new ATOM 834 N PRO A 55 -0.214 -0.929 -11.299 1.00 0.72 N ATOM 835 CA PRO A 55 0.286 -2.280 -11.194 1.00 0.71 C ATOM 836 C PRO A 55 1.484 -2.322 -10.257 1.00 0.66 C ATOM 837 O PRO A 55 1.449 -3.069 -9.285 1.00 0.72 O ATOM 838 CB PRO A 55 0.666 -2.729 -12.603 1.00 0.79 C ATOM 839 CG PRO A 55 0.546 -1.518 -13.496 1.00 0.78 C ATOM 840 CD PRO A 55 -0.302 -0.547 -12.698 1.00 0.80 C ATOM 0 HA PRO A 55 -0.467 -2.950 -10.780 1.00 0.71 H new ATOM 0 HB2 PRO A 55 1.682 -3.124 -12.622 1.00 0.79 H new ATOM 0 HB3 PRO A 55 0.008 -3.528 -12.945 1.00 0.79 H new ATOM 0 HG2 PRO A 55 1.524 -1.095 -13.727 1.00 0.78 H new ATOM 0 HG3 PRO A 55 0.075 -1.770 -14.446 1.00 0.78 H new ATOM 0 HD2 PRO A 55 0.052 0.474 -12.838 1.00 0.80 H new ATOM 0 HD3 PRO A 55 -1.337 -0.575 -13.038 1.00 0.80 H new ATOM 848 N MET A 56 2.520 -1.504 -10.499 1.00 0.64 N ATOM 849 CA MET A 56 3.743 -1.693 -9.733 1.00 0.69 C ATOM 850 C MET A 56 3.508 -1.468 -8.239 1.00 0.66 C ATOM 851 O MET A 56 4.053 -2.209 -7.420 1.00 0.74 O ATOM 852 CB MET A 56 4.892 -0.866 -10.309 1.00 0.76 C ATOM 853 CG MET A 56 5.326 -1.478 -11.650 1.00 1.00 C ATOM 854 SD MET A 56 6.663 -0.618 -12.511 1.00 1.19 S ATOM 855 CE MET A 56 6.919 -1.754 -13.891 1.00 2.06 C ATOM 0 H MET A 56 2.533 -0.747 -11.182 1.00 0.64 H new ATOM 0 HA MET A 56 4.051 -2.734 -9.827 1.00 0.69 H new ATOM 0 HB2 MET A 56 4.577 0.168 -10.451 1.00 0.76 H new ATOM 0 HB3 MET A 56 5.731 -0.851 -9.613 1.00 0.76 H new ATOM 0 HG2 MET A 56 5.636 -2.508 -11.474 1.00 1.00 H new ATOM 0 HG3 MET A 56 4.459 -1.514 -12.309 1.00 1.00 H new ATOM 0 HE1 MET A 56 7.717 -1.376 -14.530 1.00 2.06 H new ATOM 0 HE2 MET A 56 7.196 -2.736 -13.507 1.00 2.06 H new ATOM 0 HE3 MET A 56 5.999 -1.837 -14.469 1.00 2.06 H new ATOM 865 N ILE A 57 2.671 -0.496 -7.857 1.00 0.64 N ATOM 866 CA ILE A 57 2.407 -0.278 -6.443 1.00 0.70 C ATOM 867 C ILE A 57 1.571 -1.432 -5.873 1.00 0.74 C ATOM 868 O ILE A 57 1.902 -1.971 -4.817 1.00 0.90 O ATOM 869 CB ILE A 57 1.861 1.144 -6.212 1.00 0.80 C ATOM 870 CG1 ILE A 57 2.338 1.696 -4.860 1.00 2.03 C ATOM 871 CG2 ILE A 57 0.339 1.273 -6.335 1.00 1.73 C ATOM 872 CD1 ILE A 57 2.225 3.218 -4.853 1.00 2.23 C ATOM 0 H ILE A 57 2.180 0.133 -8.493 1.00 0.64 H new ATOM 0 HA ILE A 57 3.330 -0.305 -5.864 1.00 0.70 H new ATOM 0 HB ILE A 57 2.272 1.744 -7.025 1.00 0.80 H new ATOM 0 HG12 ILE A 57 1.739 1.274 -4.053 1.00 2.03 H new ATOM 0 HG13 ILE A 57 3.371 1.398 -4.679 1.00 2.03 H new ATOM 0 HG21 ILE A 57 0.046 2.308 -6.157 1.00 1.73 H new ATOM 0 HG22 ILE A 57 0.028 0.975 -7.336 1.00 1.73 H new ATOM 0 HG23 ILE A 57 -0.141 0.628 -5.599 1.00 1.73 H new ATOM 0 HD11 ILE A 57 2.565 3.604 -3.892 1.00 2.23 H new ATOM 0 HD12 ILE A 57 2.843 3.632 -5.649 1.00 2.23 H new ATOM 0 HD13 ILE A 57 1.186 3.506 -5.013 1.00 2.23 H new ATOM 884 N ALA A 58 0.518 -1.853 -6.587 1.00 0.71 N ATOM 885 CA ALA A 58 -0.303 -2.992 -6.198 1.00 0.86 C ATOM 886 C ALA A 58 0.515 -4.285 -6.081 1.00 0.94 C ATOM 887 O ALA A 58 0.174 -5.149 -5.276 1.00 1.32 O ATOM 888 CB ALA A 58 -1.452 -3.159 -7.197 1.00 1.00 C ATOM 0 H ALA A 58 0.216 -1.407 -7.453 1.00 0.71 H new ATOM 0 HA ALA A 58 -0.710 -2.792 -5.207 1.00 0.86 H new ATOM 0 HB1 ALA A 58 -2.066 -4.011 -6.906 1.00 1.00 H new ATOM 0 HB2 ALA A 58 -2.063 -2.256 -7.203 1.00 1.00 H new ATOM 0 HB3 ALA A 58 -1.045 -3.328 -8.194 1.00 1.00 H new ATOM 894 N GLU A 59 1.553 -4.445 -6.904 1.00 0.78 N ATOM 895 CA GLU A 59 2.484 -5.545 -6.902 1.00 0.84 C ATOM 896 C GLU A 59 3.418 -5.488 -5.696 1.00 0.90 C ATOM 897 O GLU A 59 3.435 -6.405 -4.879 1.00 1.07 O ATOM 898 CB GLU A 59 3.247 -5.474 -8.222 1.00 0.86 C ATOM 899 CG GLU A 59 2.384 -5.980 -9.388 1.00 1.03 C ATOM 900 CD GLU A 59 2.819 -5.469 -10.755 1.00 2.20 C ATOM 901 OE1 GLU A 59 3.998 -5.081 -10.894 1.00 3.56 O ATOM 902 OE2 GLU A 59 1.936 -5.480 -11.641 1.00 3.05 O ATOM 0 H GLU A 59 1.768 -3.761 -7.629 1.00 0.78 H new ATOM 0 HA GLU A 59 1.961 -6.497 -6.816 1.00 0.84 H new ATOM 0 HB2 GLU A 59 3.555 -4.446 -8.413 1.00 0.86 H new ATOM 0 HB3 GLU A 59 4.156 -6.071 -8.153 1.00 0.86 H new ATOM 0 HG2 GLU A 59 2.407 -7.070 -9.396 1.00 1.03 H new ATOM 0 HG3 GLU A 59 1.349 -5.684 -9.214 1.00 1.03 H new ATOM 909 N PHE A 60 4.194 -4.406 -5.571 1.00 0.84 N ATOM 910 CA PHE A 60 5.229 -4.260 -4.545 1.00 0.93 C ATOM 911 C PHE A 60 4.757 -4.781 -3.182 1.00 0.93 C ATOM 912 O PHE A 60 5.454 -5.525 -2.496 1.00 1.09 O ATOM 913 CB PHE A 60 5.657 -2.782 -4.454 1.00 1.01 C ATOM 914 CG PHE A 60 7.152 -2.558 -4.357 1.00 1.60 C ATOM 915 CD1 PHE A 60 7.973 -2.951 -5.430 1.00 2.14 C ATOM 916 CD2 PHE A 60 7.697 -1.798 -3.304 1.00 2.93 C ATOM 917 CE1 PHE A 60 9.336 -2.612 -5.439 1.00 2.75 C ATOM 918 CE2 PHE A 60 9.056 -1.439 -3.326 1.00 3.64 C ATOM 919 CZ PHE A 60 9.877 -1.851 -4.388 1.00 3.19 C ATOM 0 H PHE A 60 4.119 -3.597 -6.188 1.00 0.84 H new ATOM 0 HA PHE A 60 6.088 -4.866 -4.833 1.00 0.93 H new ATOM 0 HB2 PHE A 60 5.281 -2.255 -5.331 1.00 1.01 H new ATOM 0 HB3 PHE A 60 5.179 -2.333 -3.583 1.00 1.01 H new ATOM 0 HD1 PHE A 60 7.554 -3.515 -6.250 1.00 2.14 H new ATOM 0 HD2 PHE A 60 7.071 -1.491 -2.479 1.00 2.93 H new ATOM 0 HE1 PHE A 60 9.968 -2.936 -6.253 1.00 2.75 H new ATOM 0 HE2 PHE A 60 9.469 -0.845 -2.524 1.00 3.64 H new ATOM 0 HZ PHE A 60 10.923 -1.583 -4.397 1.00 3.19 H new ATOM 929 N ILE A 61 3.533 -4.407 -2.813 1.00 0.81 N ATOM 930 CA ILE A 61 2.927 -4.760 -1.539 1.00 0.81 C ATOM 931 C ILE A 61 2.882 -6.282 -1.357 1.00 0.89 C ATOM 932 O ILE A 61 3.303 -6.800 -0.323 1.00 0.99 O ATOM 933 CB ILE A 61 1.522 -4.139 -1.468 1.00 0.74 C ATOM 934 CG1 ILE A 61 1.605 -2.605 -1.578 1.00 0.76 C ATOM 935 CG2 ILE A 61 0.816 -4.522 -0.159 1.00 0.83 C ATOM 936 CD1 ILE A 61 0.270 -2.014 -2.028 1.00 1.13 C ATOM 0 H ILE A 61 2.927 -3.840 -3.405 1.00 0.81 H new ATOM 0 HA ILE A 61 3.531 -4.363 -0.723 1.00 0.81 H new ATOM 0 HB ILE A 61 0.943 -4.530 -2.305 1.00 0.74 H new ATOM 0 HG12 ILE A 61 1.887 -2.183 -0.613 1.00 0.76 H new ATOM 0 HG13 ILE A 61 2.386 -2.330 -2.287 1.00 0.76 H new ATOM 0 HG21 ILE A 61 -0.175 -4.070 -0.135 1.00 0.83 H new ATOM 0 HG22 ILE A 61 0.722 -5.606 -0.100 1.00 0.83 H new ATOM 0 HG23 ILE A 61 1.400 -4.162 0.688 1.00 0.83 H new ATOM 0 HD11 ILE A 61 0.357 -0.930 -2.097 1.00 1.13 H new ATOM 0 HD12 ILE A 61 0.003 -2.420 -3.004 1.00 1.13 H new ATOM 0 HD13 ILE A 61 -0.504 -2.270 -1.304 1.00 1.13 H new ATOM 948 N ARG A 62 2.331 -7.002 -2.339 1.00 0.96 N ATOM 949 CA ARG A 62 2.200 -8.452 -2.244 1.00 1.14 C ATOM 950 C ARG A 62 3.571 -9.098 -2.377 1.00 1.07 C ATOM 951 O ARG A 62 3.952 -9.918 -1.547 1.00 1.02 O ATOM 952 CB ARG A 62 1.167 -9.059 -3.204 1.00 1.58 C ATOM 953 CG ARG A 62 0.901 -8.197 -4.422 1.00 0.76 C ATOM 954 CD ARG A 62 -0.100 -8.807 -5.397 1.00 0.90 C ATOM 955 NE ARG A 62 -0.446 -7.821 -6.432 1.00 1.95 N ATOM 956 CZ ARG A 62 -0.099 -7.879 -7.728 1.00 2.52 C ATOM 957 NH1 ARG A 62 0.835 -8.733 -8.147 1.00 2.31 N ATOM 958 NH2 ARG A 62 -0.684 -7.056 -8.606 1.00 3.92 N ATOM 0 H ARG A 62 1.970 -6.602 -3.205 1.00 0.96 H new ATOM 0 HA ARG A 62 1.796 -8.673 -1.256 1.00 1.14 H new ATOM 0 HB2 ARG A 62 1.516 -10.039 -3.530 1.00 1.58 H new ATOM 0 HB3 ARG A 62 0.231 -9.216 -2.668 1.00 1.58 H new ATOM 0 HG2 ARG A 62 0.530 -7.226 -4.095 1.00 0.76 H new ATOM 0 HG3 ARG A 62 1.842 -8.020 -4.944 1.00 0.76 H new ATOM 0 HD2 ARG A 62 0.324 -9.699 -5.858 1.00 0.90 H new ATOM 0 HD3 ARG A 62 -0.998 -9.119 -4.864 1.00 0.90 H new ATOM 0 HE ARG A 62 -1.002 -7.018 -6.138 1.00 1.95 H new ATOM 0 HH11 ARG A 62 1.295 -9.353 -7.480 1.00 2.31 H new ATOM 0 HH12 ARG A 62 1.089 -8.767 -9.134 1.00 2.31 H new ATOM 0 HH21 ARG A 62 -1.389 -6.390 -8.289 1.00 3.92 H new ATOM 0 HH22 ARG A 62 -0.425 -7.095 -9.592 1.00 3.92 H new ATOM 972 N GLU A 63 4.314 -8.700 -3.408 1.00 1.22 N ATOM 973 CA GLU A 63 5.578 -9.300 -3.753 1.00 1.42 C ATOM 974 C GLU A 63 6.589 -9.188 -2.605 1.00 1.15 C ATOM 975 O GLU A 63 7.373 -10.112 -2.401 1.00 1.29 O ATOM 976 CB GLU A 63 6.033 -8.663 -5.065 1.00 2.00 C ATOM 977 CG GLU A 63 5.354 -9.320 -6.284 1.00 2.55 C ATOM 978 CD GLU A 63 3.829 -9.465 -6.256 1.00 4.83 C ATOM 979 OE1 GLU A 63 3.327 -10.370 -5.560 1.00 6.39 O ATOM 980 OE2 GLU A 63 3.162 -8.702 -6.985 1.00 5.47 O ATOM 0 H GLU A 63 4.040 -7.939 -4.030 1.00 1.22 H new ATOM 0 HA GLU A 63 5.483 -10.375 -3.906 1.00 1.42 H new ATOM 0 HB2 GLU A 63 5.803 -7.598 -5.051 1.00 2.00 H new ATOM 0 HB3 GLU A 63 7.115 -8.755 -5.158 1.00 2.00 H new ATOM 0 HG2 GLU A 63 5.620 -8.741 -7.169 1.00 2.55 H new ATOM 0 HG3 GLU A 63 5.783 -10.314 -6.412 1.00 2.55 H new ATOM 987 N LEU A 64 6.564 -8.096 -1.828 1.00 1.01 N ATOM 988 CA LEU A 64 7.350 -8.009 -0.604 1.00 1.13 C ATOM 989 C LEU A 64 6.635 -8.680 0.568 1.00 1.04 C ATOM 990 O LEU A 64 7.265 -9.425 1.315 1.00 1.32 O ATOM 991 CB LEU A 64 7.668 -6.546 -0.274 1.00 1.43 C ATOM 992 CG LEU A 64 8.426 -5.816 -1.394 1.00 2.03 C ATOM 993 CD1 LEU A 64 8.643 -4.358 -0.979 1.00 2.77 C ATOM 994 CD2 LEU A 64 9.770 -6.465 -1.725 1.00 2.76 C ATOM 0 H LEU A 64 6.007 -7.266 -2.031 1.00 1.01 H new ATOM 0 HA LEU A 64 8.286 -8.542 -0.771 1.00 1.13 H new ATOM 0 HB2 LEU A 64 6.737 -6.017 -0.071 1.00 1.43 H new ATOM 0 HB3 LEU A 64 8.261 -6.509 0.640 1.00 1.43 H new ATOM 0 HG LEU A 64 7.818 -5.877 -2.297 1.00 2.03 H new ATOM 0 HD11 LEU A 64 9.180 -3.831 -1.768 1.00 2.77 H new ATOM 0 HD12 LEU A 64 7.678 -3.879 -0.815 1.00 2.77 H new ATOM 0 HD13 LEU A 64 9.226 -4.325 -0.058 1.00 2.77 H new ATOM 0 HD21 LEU A 64 10.258 -5.905 -2.523 1.00 2.76 H new ATOM 0 HD22 LEU A 64 10.404 -6.461 -0.838 1.00 2.76 H new ATOM 0 HD23 LEU A 64 9.608 -7.493 -2.050 1.00 2.76 H new ATOM 1006 N GLY A 65 5.349 -8.383 0.768 1.00 1.22 N ATOM 1007 CA GLY A 65 4.608 -8.871 1.917 1.00 1.78 C ATOM 1008 C GLY A 65 3.821 -10.136 1.585 1.00 1.19 C ATOM 1009 O GLY A 65 4.305 -11.249 1.780 1.00 1.84 O ATOM 0 H GLY A 65 4.800 -7.799 0.137 1.00 1.22 H new ATOM 0 HA2 GLY A 65 5.299 -9.076 2.735 1.00 1.78 H new ATOM 0 HA3 GLY A 65 3.923 -8.097 2.264 1.00 1.78 H new ATOM 1013 N PHE A 66 2.561 -9.946 1.180 1.00 1.06 N ATOM 1014 CA PHE A 66 1.516 -10.949 1.360 1.00 1.76 C ATOM 1015 C PHE A 66 0.658 -11.135 0.128 1.00 1.96 C ATOM 1016 O PHE A 66 0.675 -12.179 -0.518 1.00 3.48 O ATOM 1017 CB PHE A 66 0.703 -10.623 2.627 1.00 2.47 C ATOM 1018 CG PHE A 66 1.563 -10.293 3.835 1.00 2.43 C ATOM 1019 CD1 PHE A 66 2.534 -11.214 4.270 1.00 3.48 C ATOM 1020 CD2 PHE A 66 1.571 -8.982 4.350 1.00 2.15 C ATOM 1021 CE1 PHE A 66 3.575 -10.794 5.116 1.00 3.49 C ATOM 1022 CE2 PHE A 66 2.599 -8.570 5.213 1.00 2.36 C ATOM 1023 CZ PHE A 66 3.609 -9.471 5.588 1.00 2.65 C ATOM 0 H PHE A 66 2.241 -9.094 0.720 1.00 1.06 H new ATOM 0 HA PHE A 66 1.990 -11.920 1.504 1.00 1.76 H new ATOM 0 HB2 PHE A 66 0.045 -9.779 2.419 1.00 2.47 H new ATOM 0 HB3 PHE A 66 0.065 -11.473 2.868 1.00 2.47 H new ATOM 0 HD1 PHE A 66 2.479 -12.245 3.953 1.00 3.48 H new ATOM 0 HD2 PHE A 66 0.785 -8.292 4.080 1.00 2.15 H new ATOM 0 HE1 PHE A 66 4.350 -11.489 5.404 1.00 3.49 H new ATOM 0 HE2 PHE A 66 2.613 -7.558 5.589 1.00 2.36 H new ATOM 0 HZ PHE A 66 4.409 -9.148 6.237 1.00 2.65 H new ATOM 1033 N GLY A 67 -0.176 -10.145 -0.137 1.00 0.99 N ATOM 1034 CA GLY A 67 -1.356 -10.374 -0.931 1.00 0.93 C ATOM 1035 C GLY A 67 -2.179 -9.097 -0.925 1.00 0.90 C ATOM 1036 O GLY A 67 -2.549 -8.611 0.141 1.00 1.49 O ATOM 0 H GLY A 67 -0.054 -9.185 0.186 1.00 0.99 H new ATOM 0 HA2 GLY A 67 -1.083 -10.647 -1.950 1.00 0.93 H new ATOM 0 HA3 GLY A 67 -1.935 -11.203 -0.524 1.00 0.93 H new ATOM 1040 N ALA A 68 -2.401 -8.514 -2.101 1.00 0.88 N ATOM 1041 CA ALA A 68 -3.055 -7.224 -2.231 1.00 0.86 C ATOM 1042 C ALA A 68 -3.684 -7.067 -3.611 1.00 0.72 C ATOM 1043 O ALA A 68 -3.331 -7.792 -4.543 1.00 1.16 O ATOM 1044 CB ALA A 68 -2.047 -6.100 -1.961 1.00 1.00 C ATOM 0 H ALA A 68 -2.129 -8.929 -2.992 1.00 0.88 H new ATOM 0 HA ALA A 68 -3.856 -7.163 -1.494 1.00 0.86 H new ATOM 0 HB1 ALA A 68 -2.543 -5.135 -2.060 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -1.650 -6.202 -0.951 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -1.230 -6.163 -2.680 1.00 1.00 H new ATOM 1050 N THR A 69 -4.623 -6.128 -3.751 1.00 0.61 N ATOM 1051 CA THR A 69 -5.299 -5.830 -5.010 1.00 0.83 C ATOM 1052 C THR A 69 -5.773 -4.376 -4.977 1.00 0.74 C ATOM 1053 O THR A 69 -6.084 -3.865 -3.904 1.00 0.77 O ATOM 1054 CB THR A 69 -6.468 -6.809 -5.218 1.00 1.12 C ATOM 1055 OG1 THR A 69 -6.027 -8.145 -5.067 1.00 2.57 O ATOM 1056 CG2 THR A 69 -7.099 -6.678 -6.608 1.00 2.92 C ATOM 0 H THR A 69 -4.939 -5.544 -2.976 1.00 0.61 H new ATOM 0 HA THR A 69 -4.618 -5.954 -5.852 1.00 0.83 H new ATOM 0 HB THR A 69 -7.215 -6.557 -4.465 1.00 1.12 H new ATOM 0 HG1 THR A 69 -6.782 -8.756 -5.201 1.00 2.57 H new ATOM 0 HG21 THR A 69 -7.919 -7.390 -6.704 1.00 2.92 H new ATOM 0 HG22 THR A 69 -7.481 -5.666 -6.740 1.00 2.92 H new ATOM 0 HG23 THR A 69 -6.347 -6.885 -7.370 1.00 2.92 H new ATOM 1064 N VAL A 70 -5.818 -3.708 -6.134 1.00 0.69 N ATOM 1065 CA VAL A 70 -6.208 -2.306 -6.243 1.00 0.62 C ATOM 1066 C VAL A 70 -7.736 -2.194 -6.264 1.00 0.60 C ATOM 1067 O VAL A 70 -8.409 -3.069 -6.808 1.00 0.63 O ATOM 1068 CB VAL A 70 -5.543 -1.673 -7.481 1.00 0.72 C ATOM 1069 CG1 VAL A 70 -6.015 -2.283 -8.807 1.00 1.73 C ATOM 1070 CG2 VAL A 70 -5.777 -0.158 -7.540 1.00 2.39 C ATOM 0 H VAL A 70 -5.581 -4.134 -7.030 1.00 0.69 H new ATOM 0 HA VAL A 70 -5.859 -1.748 -5.374 1.00 0.62 H new ATOM 0 HB VAL A 70 -4.481 -1.886 -7.362 1.00 0.72 H new ATOM 0 HG11 VAL A 70 -5.506 -1.790 -9.636 1.00 1.73 H new ATOM 0 HG12 VAL A 70 -5.783 -3.348 -8.821 1.00 1.73 H new ATOM 0 HG13 VAL A 70 -7.091 -2.145 -8.908 1.00 1.73 H new ATOM 0 HG21 VAL A 70 -5.293 0.251 -8.427 1.00 2.39 H new ATOM 0 HG22 VAL A 70 -6.847 0.043 -7.586 1.00 2.39 H new ATOM 0 HG23 VAL A 70 -5.358 0.310 -6.649 1.00 2.39 H new ATOM 1080 N ILE A 71 -8.276 -1.142 -5.642 1.00 0.74 N ATOM 1081 CA ILE A 71 -9.699 -0.868 -5.514 1.00 0.86 C ATOM 1082 C ILE A 71 -9.920 0.606 -5.876 1.00 1.04 C ATOM 1083 O ILE A 71 -9.121 1.459 -5.487 1.00 1.97 O ATOM 1084 CB ILE A 71 -10.133 -1.141 -4.060 1.00 1.22 C ATOM 1085 CG1 ILE A 71 -9.757 -2.546 -3.555 1.00 1.36 C ATOM 1086 CG2 ILE A 71 -11.634 -0.876 -3.865 1.00 1.87 C ATOM 1087 CD1 ILE A 71 -10.547 -3.687 -4.205 1.00 2.00 C ATOM 0 H ILE A 71 -7.701 -0.428 -5.195 1.00 0.74 H new ATOM 0 HA ILE A 71 -10.289 -1.504 -6.175 1.00 0.86 H new ATOM 0 HB ILE A 71 -9.569 -0.436 -3.449 1.00 1.22 H new ATOM 0 HG12 ILE A 71 -8.694 -2.710 -3.732 1.00 1.36 H new ATOM 0 HG13 ILE A 71 -9.910 -2.584 -2.476 1.00 1.36 H new ATOM 0 HG21 ILE A 71 -11.908 -1.078 -2.829 1.00 1.87 H new ATOM 0 HG22 ILE A 71 -11.853 0.165 -4.102 1.00 1.87 H new ATOM 0 HG23 ILE A 71 -12.207 -1.527 -4.525 1.00 1.87 H new ATOM 0 HD11 ILE A 71 -10.218 -4.640 -3.791 1.00 2.00 H new ATOM 0 HD12 ILE A 71 -11.610 -3.553 -4.006 1.00 2.00 H new ATOM 0 HD13 ILE A 71 -10.376 -3.681 -5.281 1.00 2.00 H new ATOM 1099 N GLU A 72 -11.001 0.915 -6.596 1.00 1.29 N ATOM 1100 CA GLU A 72 -11.346 2.269 -6.993 1.00 1.38 C ATOM 1101 C GLU A 72 -12.848 2.343 -7.266 1.00 1.63 C ATOM 1102 O GLU A 72 -13.496 1.317 -7.472 1.00 2.49 O ATOM 1103 CB GLU A 72 -10.513 2.693 -8.212 1.00 1.75 C ATOM 1104 CG GLU A 72 -10.586 1.689 -9.371 1.00 3.15 C ATOM 1105 CD GLU A 72 -9.757 2.177 -10.550 1.00 4.07 C ATOM 1106 OE1 GLU A 72 -10.192 3.172 -11.167 1.00 4.55 O ATOM 1107 OE2 GLU A 72 -8.701 1.558 -10.799 1.00 4.94 O ATOM 0 H GLU A 72 -11.668 0.215 -6.921 1.00 1.29 H new ATOM 0 HA GLU A 72 -11.113 2.968 -6.190 1.00 1.38 H new ATOM 0 HB2 GLU A 72 -10.859 3.666 -8.560 1.00 1.75 H new ATOM 0 HB3 GLU A 72 -9.473 2.814 -7.909 1.00 1.75 H new ATOM 0 HG2 GLU A 72 -10.222 0.716 -9.041 1.00 3.15 H new ATOM 0 HG3 GLU A 72 -11.623 1.554 -9.679 1.00 3.15 H new