USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 863 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 100 LYS NZ :NH3+ -100:sc=-0.00284 (180deg=-0.684) USER MOD Set 1.2: A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 MET CE :methyl -108:sc= -1.55 (180deg=-3.44!) USER MOD Set 2.2: A 88 MET CE :methyl 179:sc= -4.12! (180deg=-3.97) USER MOD Single : A 1 MET CE :methyl -111:sc= -8.56! (180deg=-10.5!) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.342 (180deg=0.187) USER MOD Single : A 2 THR OG1 : rot 65:sc= 1.05 USER MOD Single : A 4 CYS SG : rot 180:sc= -0.417 USER MOD Single : A 6 MET CE :methyl 143:sc= -0.21 (180deg=-1.53) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.75! C(o=-3.7!,f=-2.8!) USER MOD Single : A 10 SER OG : rot -93:sc= 0.947 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.018) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 41:sc= -0.0123 USER MOD Single : A 29 SER OG : rot -35:sc= 0.0215 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.148 USER MOD Single : A 40 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.53) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -114:sc= -2.04 (180deg=-5.39!) USER MOD Single : A 46 MET CE :methyl -159:sc= -0.0984 (180deg=-0.568) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 53:sc= 0.0213 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -56:sc= -0.921 USER MOD Single : A 71 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.48) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.0342 (180deg=-0.251) USER MOD Single : A 77 MET CE :methyl -157:sc= -3.45! (180deg=-5.74!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.000993 USER MOD Single : A 87 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.0363 (180deg=-0.254) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -78:sc= 1.29 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.259 K(o=-0.26,f=-4.5!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= -0.299 (180deg=-0.299) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.533 -0.191 0.164 1.00 31.01 N ATOM 2 CA MET A 1 2.173 -0.020 -1.135 1.00 70.41 C ATOM 3 C MET A 1 3.520 -0.735 -1.176 1.00 31.13 C ATOM 4 O MET A 1 4.009 -1.219 -0.154 1.00 42.12 O ATOM 5 CB MET A 1 2.362 1.466 -1.443 1.00 52.22 C ATOM 6 CG MET A 1 2.445 2.338 -0.201 1.00 44.40 C ATOM 7 SD MET A 1 3.843 1.911 0.855 1.00 34.33 S ATOM 8 CE MET A 1 5.189 1.969 -0.324 1.00 62.13 C ATOM 0 H1 MET A 1 0.669 0.386 0.204 1.00 31.01 H new ATOM 0 H2 MET A 1 1.287 -1.192 0.301 1.00 31.01 H new ATOM 0 H3 MET A 1 2.186 0.111 0.915 1.00 31.01 H new ATOM 0 HA MET A 1 1.524 -0.461 -1.892 1.00 70.41 H new ATOM 0 HB2 MET A 1 3.272 1.594 -2.029 1.00 52.22 H new ATOM 0 HB3 MET A 1 1.533 1.809 -2.063 1.00 52.22 H new ATOM 0 HG2 MET A 1 2.526 3.383 -0.500 1.00 44.40 H new ATOM 0 HG3 MET A 1 1.521 2.241 0.369 1.00 44.40 H new ATOM 0 HE1 MET A 1 5.566 0.961 -0.496 1.00 62.13 H new ATOM 0 HE2 MET A 1 4.831 2.388 -1.265 1.00 62.13 H new ATOM 0 HE3 MET A 1 5.991 2.594 0.069 1.00 62.13 H new ATOM 18 N THR A 2 4.116 -0.799 -2.362 1.00 52.15 N ATOM 19 CA THR A 2 5.405 -1.456 -2.536 1.00 41.31 C ATOM 20 C THR A 2 6.525 -0.434 -2.700 1.00 31.45 C ATOM 21 O THR A 2 6.426 0.485 -3.513 1.00 4.41 O ATOM 22 CB THR A 2 5.398 -2.393 -3.758 1.00 41.04 C ATOM 23 OG1 THR A 2 4.113 -3.008 -3.896 1.00 75.45 O ATOM 24 CG2 THR A 2 6.468 -3.466 -3.624 1.00 31.03 C ATOM 0 H THR A 2 3.726 -0.403 -3.217 1.00 52.15 H new ATOM 0 HA THR A 2 5.583 -2.046 -1.637 1.00 41.31 H new ATOM 0 HB THR A 2 5.613 -1.798 -4.646 1.00 41.04 H new ATOM 0 HG1 THR A 2 3.442 -2.322 -4.094 1.00 75.45 H new ATOM 0 HG21 THR A 2 6.444 -4.116 -4.499 1.00 31.03 H new ATOM 0 HG22 THR A 2 7.448 -2.995 -3.549 1.00 31.03 H new ATOM 0 HG23 THR A 2 6.280 -4.057 -2.728 1.00 31.03 H new ATOM 32 N LEU A 3 7.590 -0.601 -1.923 1.00 35.42 N ATOM 33 CA LEU A 3 8.730 0.306 -1.982 1.00 51.42 C ATOM 34 C LEU A 3 9.996 -0.436 -2.399 1.00 54.21 C ATOM 35 O LEU A 3 10.387 -1.419 -1.769 1.00 12.23 O ATOM 36 CB LEU A 3 8.943 0.979 -0.625 1.00 30.43 C ATOM 37 CG LEU A 3 9.029 2.505 -0.638 1.00 3.21 C ATOM 38 CD1 LEU A 3 7.907 3.096 -1.477 1.00 11.12 C ATOM 39 CD2 LEU A 3 8.983 3.054 0.781 1.00 42.24 C ATOM 0 H LEU A 3 7.687 -1.357 -1.245 1.00 35.42 H new ATOM 0 HA LEU A 3 8.516 1.070 -2.730 1.00 51.42 H new ATOM 0 HB2 LEU A 3 8.126 0.687 0.035 1.00 30.43 H new ATOM 0 HB3 LEU A 3 9.861 0.587 -0.188 1.00 30.43 H new ATOM 0 HG LEU A 3 9.980 2.792 -1.087 1.00 3.21 H new ATOM 0 HD11 LEU A 3 7.985 4.183 -1.474 1.00 11.12 H new ATOM 0 HD12 LEU A 3 7.986 2.729 -2.500 1.00 11.12 H new ATOM 0 HD13 LEU A 3 6.945 2.800 -1.059 1.00 11.12 H new ATOM 0 HD21 LEU A 3 9.045 4.142 0.752 1.00 42.24 H new ATOM 0 HD22 LEU A 3 8.048 2.756 1.256 1.00 42.24 H new ATOM 0 HD23 LEU A 3 9.822 2.657 1.352 1.00 42.24 H new ATOM 51 N CYS A 4 10.632 0.042 -3.463 1.00 10.14 N ATOM 52 CA CYS A 4 11.855 -0.575 -3.963 1.00 61.32 C ATOM 53 C CYS A 4 13.006 0.426 -3.971 1.00 74.13 C ATOM 54 O CYS A 4 12.790 1.633 -4.078 1.00 24.13 O ATOM 55 CB CYS A 4 11.633 -1.127 -5.372 1.00 51.22 C ATOM 56 SG CYS A 4 10.137 -2.127 -5.546 1.00 70.30 S ATOM 0 H CYS A 4 10.321 0.854 -3.996 1.00 10.14 H new ATOM 0 HA CYS A 4 12.117 -1.396 -3.296 1.00 61.32 H new ATOM 0 HB2 CYS A 4 11.584 -0.294 -6.073 1.00 51.22 H new ATOM 0 HB3 CYS A 4 12.496 -1.731 -5.654 1.00 51.22 H new ATOM 0 HG CYS A 4 10.036 -2.546 -6.772 1.00 70.30 H new ATOM 62 N ALA A 5 14.228 -0.084 -3.856 1.00 54.24 N ATOM 63 CA ALA A 5 15.412 0.765 -3.851 1.00 2.51 C ATOM 64 C ALA A 5 16.504 0.191 -4.747 1.00 72.13 C ATOM 65 O ALA A 5 16.686 -1.024 -4.818 1.00 25.14 O ATOM 66 CB ALA A 5 15.930 0.940 -2.431 1.00 30.32 C ATOM 0 H ALA A 5 14.423 -1.081 -3.765 1.00 54.24 H new ATOM 0 HA ALA A 5 15.130 1.741 -4.246 1.00 2.51 H new ATOM 0 HB1 ALA A 5 16.815 1.576 -2.442 1.00 30.32 H new ATOM 0 HB2 ALA A 5 15.158 1.403 -1.816 1.00 30.32 H new ATOM 0 HB3 ALA A 5 16.189 -0.034 -2.016 1.00 30.32 H new ATOM 72 N MET A 6 17.226 1.072 -5.431 1.00 41.23 N ATOM 73 CA MET A 6 18.300 0.651 -6.323 1.00 44.32 C ATOM 74 C MET A 6 19.656 1.110 -5.796 1.00 21.04 C ATOM 75 O MET A 6 19.866 2.297 -5.544 1.00 71.14 O ATOM 76 CB MET A 6 18.072 1.209 -7.730 1.00 23.54 C ATOM 77 CG MET A 6 19.172 0.844 -8.714 1.00 31.54 C ATOM 78 SD MET A 6 19.155 1.879 -10.190 1.00 11.04 S ATOM 79 CE MET A 6 19.526 3.482 -9.483 1.00 3.33 C ATOM 0 H MET A 6 17.087 2.081 -5.385 1.00 41.23 H new ATOM 0 HA MET A 6 18.296 -0.438 -6.366 1.00 44.32 H new ATOM 0 HB2 MET A 6 17.119 0.839 -8.109 1.00 23.54 H new ATOM 0 HB3 MET A 6 17.992 2.295 -7.673 1.00 23.54 H new ATOM 0 HG2 MET A 6 20.140 0.936 -8.221 1.00 31.54 H new ATOM 0 HG3 MET A 6 19.061 -0.200 -9.006 1.00 31.54 H new ATOM 0 HE1 MET A 6 20.165 4.042 -10.166 1.00 3.33 H new ATOM 0 HE2 MET A 6 18.599 4.032 -9.321 1.00 3.33 H new ATOM 0 HE3 MET A 6 20.040 3.350 -8.531 1.00 3.33 H new ATOM 89 N TYR A 7 20.572 0.163 -5.630 1.00 25.24 N ATOM 90 CA TYR A 7 21.907 0.470 -5.129 1.00 61.21 C ATOM 91 C TYR A 7 22.977 0.031 -6.125 1.00 34.34 C ATOM 92 O TYR A 7 22.826 -0.981 -6.809 1.00 13.53 O ATOM 93 CB TYR A 7 22.139 -0.214 -3.780 1.00 55.44 C ATOM 94 CG TYR A 7 22.175 -1.723 -3.865 1.00 2.23 C ATOM 95 CD1 TYR A 7 21.003 -2.468 -3.854 1.00 14.23 C ATOM 96 CD2 TYR A 7 23.383 -2.404 -3.956 1.00 40.25 C ATOM 97 CE1 TYR A 7 21.032 -3.847 -3.930 1.00 14.23 C ATOM 98 CE2 TYR A 7 23.422 -3.783 -4.034 1.00 54.54 C ATOM 99 CZ TYR A 7 22.243 -4.500 -4.020 1.00 44.52 C ATOM 100 OH TYR A 7 22.276 -5.873 -4.098 1.00 25.05 O ATOM 0 H TYR A 7 20.415 -0.824 -5.835 1.00 25.24 H new ATOM 0 HA TYR A 7 21.979 1.550 -4.998 1.00 61.21 H new ATOM 0 HB2 TYR A 7 23.080 0.140 -3.359 1.00 55.44 H new ATOM 0 HB3 TYR A 7 21.349 0.084 -3.090 1.00 55.44 H new ATOM 0 HD1 TYR A 7 20.052 -1.960 -3.785 1.00 14.23 H new ATOM 0 HD2 TYR A 7 24.307 -1.846 -3.966 1.00 40.25 H new ATOM 0 HE1 TYR A 7 20.111 -4.411 -3.919 1.00 14.23 H new ATOM 0 HE2 TYR A 7 24.369 -4.297 -4.105 1.00 54.54 H new ATOM 0 HH TYR A 7 23.206 -6.175 -4.157 1.00 25.05 H new ATOM 110 N ASN A 8 24.058 0.800 -6.199 1.00 22.45 N ATOM 111 CA ASN A 8 25.154 0.491 -7.110 1.00 3.22 C ATOM 112 C ASN A 8 26.469 0.345 -6.350 1.00 0.55 C ATOM 113 O ASN A 8 26.798 1.169 -5.496 1.00 5.43 O ATOM 114 CB ASN A 8 25.285 1.585 -8.172 1.00 70.51 C ATOM 115 CG ASN A 8 26.092 2.772 -7.684 1.00 23.34 C ATOM 116 OD1 ASN A 8 27.313 2.691 -7.542 1.00 74.24 O ATOM 117 ND2 ASN A 8 25.413 3.882 -7.423 1.00 15.23 N ATOM 0 H ASN A 8 24.199 1.641 -5.640 1.00 22.45 H new ATOM 0 HA ASN A 8 24.931 -0.457 -7.599 1.00 3.22 H new ATOM 0 HB2 ASN A 8 25.758 1.169 -9.062 1.00 70.51 H new ATOM 0 HB3 ASN A 8 24.291 1.922 -8.467 1.00 70.51 H new ATOM 0 HD21 ASN A 8 25.902 4.713 -7.091 1.00 15.23 H new ATOM 0 HD22 ASN A 8 24.402 3.904 -7.555 1.00 15.23 H new ATOM 124 N ILE A 9 27.216 -0.707 -6.666 1.00 73.02 N ATOM 125 CA ILE A 9 28.495 -0.959 -6.015 1.00 32.45 C ATOM 126 C ILE A 9 29.648 -0.849 -7.006 1.00 61.30 C ATOM 127 O ILE A 9 29.597 -1.414 -8.098 1.00 63.44 O ATOM 128 CB ILE A 9 28.527 -2.353 -5.359 1.00 44.31 C ATOM 129 CG1 ILE A 9 27.835 -3.379 -6.258 1.00 22.51 C ATOM 130 CG2 ILE A 9 27.867 -2.309 -3.989 1.00 61.22 C ATOM 131 CD1 ILE A 9 26.350 -3.504 -6.000 1.00 30.41 C ATOM 0 H ILE A 9 26.957 -1.399 -7.369 1.00 73.02 H new ATOM 0 HA ILE A 9 28.611 -0.199 -5.242 1.00 32.45 H new ATOM 0 HB ILE A 9 29.567 -2.654 -5.230 1.00 44.31 H new ATOM 0 HG12 ILE A 9 27.992 -3.102 -7.300 1.00 22.51 H new ATOM 0 HG13 ILE A 9 28.304 -4.352 -6.113 1.00 22.51 H new ATOM 0 HG21 ILE A 9 27.897 -3.301 -3.538 1.00 61.22 H new ATOM 0 HG22 ILE A 9 28.400 -1.604 -3.351 1.00 61.22 H new ATOM 0 HG23 ILE A 9 26.830 -1.990 -4.095 1.00 61.22 H new ATOM 0 HD11 ILE A 9 25.925 -4.249 -6.673 1.00 30.41 H new ATOM 0 HD12 ILE A 9 26.185 -3.812 -4.967 1.00 30.41 H new ATOM 0 HD13 ILE A 9 25.868 -2.542 -6.173 1.00 30.41 H new ATOM 143 N SER A 10 30.688 -0.119 -6.617 1.00 23.03 N ATOM 144 CA SER A 10 31.855 0.067 -7.472 1.00 55.21 C ATOM 145 C SER A 10 33.072 -0.648 -6.894 1.00 0.42 C ATOM 146 O SER A 10 33.469 -0.399 -5.756 1.00 11.41 O ATOM 147 CB SER A 10 32.157 1.557 -7.641 1.00 55.43 C ATOM 148 OG SER A 10 32.849 1.803 -8.853 1.00 51.11 O ATOM 0 H SER A 10 30.747 0.354 -5.715 1.00 23.03 H new ATOM 0 HA SER A 10 31.632 -0.364 -8.448 1.00 55.21 H new ATOM 0 HB2 SER A 10 31.226 2.124 -7.629 1.00 55.43 H new ATOM 0 HB3 SER A 10 32.755 1.908 -6.800 1.00 55.43 H new ATOM 0 HG SER A 10 33.815 1.788 -8.687 1.00 51.11 H new ATOM 154 N MET A 11 33.660 -1.537 -7.687 1.00 31.31 N ATOM 155 CA MET A 11 34.833 -2.288 -7.255 1.00 22.11 C ATOM 156 C MET A 11 36.111 -1.497 -7.515 1.00 41.04 C ATOM 157 O MET A 11 37.204 -1.928 -7.150 1.00 2.12 O ATOM 158 CB MET A 11 34.897 -3.635 -7.977 1.00 64.30 C ATOM 159 CG MET A 11 35.281 -3.521 -9.443 1.00 64.13 C ATOM 160 SD MET A 11 34.020 -4.188 -10.546 1.00 11.03 S ATOM 161 CE MET A 11 34.268 -3.171 -11.999 1.00 65.10 C ATOM 0 H MET A 11 33.344 -1.755 -8.632 1.00 31.31 H new ATOM 0 HA MET A 11 34.747 -2.463 -6.183 1.00 22.11 H new ATOM 0 HB2 MET A 11 35.618 -4.276 -7.470 1.00 64.30 H new ATOM 0 HB3 MET A 11 33.926 -4.125 -7.901 1.00 64.30 H new ATOM 0 HG2 MET A 11 35.455 -2.473 -9.688 1.00 64.13 H new ATOM 0 HG3 MET A 11 36.220 -4.048 -9.610 1.00 64.13 H new ATOM 0 HE1 MET A 11 33.559 -3.464 -12.773 1.00 65.10 H new ATOM 0 HE2 MET A 11 34.111 -2.124 -11.741 1.00 65.10 H new ATOM 0 HE3 MET A 11 35.285 -3.306 -12.368 1.00 65.10 H new ATOM 171 N ALA A 12 35.965 -0.338 -8.149 1.00 64.15 N ATOM 172 CA ALA A 12 37.108 0.513 -8.457 1.00 11.31 C ATOM 173 C ALA A 12 36.668 1.786 -9.173 1.00 35.50 C ATOM 174 O ALA A 12 35.488 2.136 -9.168 1.00 3.15 O ATOM 175 CB ALA A 12 38.120 -0.246 -9.301 1.00 62.53 C ATOM 0 H ALA A 12 35.067 0.033 -8.459 1.00 64.15 H new ATOM 0 HA ALA A 12 37.579 0.800 -7.517 1.00 11.31 H new ATOM 0 HB1 ALA A 12 38.968 0.402 -9.523 1.00 62.53 H new ATOM 0 HB2 ALA A 12 38.467 -1.122 -8.753 1.00 62.53 H new ATOM 0 HB3 ALA A 12 37.652 -0.563 -10.233 1.00 62.53 H new ATOM 181 N GLY A 13 37.624 2.474 -9.789 1.00 10.13 N ATOM 182 CA GLY A 13 37.314 3.701 -10.500 1.00 24.31 C ATOM 183 C GLY A 13 36.850 3.446 -11.920 1.00 73.11 C ATOM 184 O GLY A 13 37.243 4.156 -12.846 1.00 33.32 O ATOM 0 H GLY A 13 38.607 2.204 -9.809 1.00 10.13 H new ATOM 0 HA2 GLY A 13 36.539 4.245 -9.960 1.00 24.31 H new ATOM 0 HA3 GLY A 13 38.197 4.340 -10.519 1.00 24.31 H new ATOM 188 N SER A 14 36.012 2.429 -12.093 1.00 73.24 N ATOM 189 CA SER A 14 35.497 2.078 -13.412 1.00 43.41 C ATOM 190 C SER A 14 33.989 1.853 -13.365 1.00 21.15 C ATOM 191 O SER A 14 33.420 1.607 -12.301 1.00 33.43 O ATOM 192 CB SER A 14 36.196 0.823 -13.938 1.00 53.13 C ATOM 193 OG SER A 14 35.965 0.655 -15.326 1.00 41.13 O ATOM 0 H SER A 14 35.675 1.833 -11.337 1.00 73.24 H new ATOM 0 HA SER A 14 35.701 2.909 -14.087 1.00 43.41 H new ATOM 0 HB2 SER A 14 37.267 0.894 -13.750 1.00 53.13 H new ATOM 0 HB3 SER A 14 35.835 -0.052 -13.397 1.00 53.13 H new ATOM 0 HG SER A 14 36.423 -0.153 -15.639 1.00 41.13 H new ATOM 199 N HIS A 15 33.347 1.939 -14.525 1.00 43.04 N ATOM 200 CA HIS A 15 31.905 1.744 -14.618 1.00 32.02 C ATOM 201 C HIS A 15 31.420 0.761 -13.556 1.00 64.35 C ATOM 202 O HIS A 15 31.618 -0.450 -13.661 1.00 4.04 O ATOM 203 CB HIS A 15 31.525 1.238 -16.010 1.00 24.33 C ATOM 204 CG HIS A 15 31.771 2.237 -17.098 1.00 12.10 C ATOM 205 ND1 HIS A 15 32.155 1.881 -18.374 1.00 11.53 N ATOM 206 CD2 HIS A 15 31.683 3.588 -17.096 1.00 21.21 C ATOM 207 CE1 HIS A 15 32.295 2.970 -19.109 1.00 15.33 C ATOM 208 NE2 HIS A 15 32.014 4.019 -18.357 1.00 14.31 N ATOM 0 H HIS A 15 33.803 2.143 -15.414 1.00 43.04 H new ATOM 0 HA HIS A 15 31.422 2.706 -14.446 1.00 32.02 H new ATOM 0 HB2 HIS A 15 32.091 0.332 -16.225 1.00 24.33 H new ATOM 0 HB3 HIS A 15 30.470 0.963 -16.012 1.00 24.33 H new ATOM 0 HD2 HIS A 15 31.404 4.211 -16.259 1.00 21.21 H new ATOM 0 HE1 HIS A 15 32.589 2.998 -20.148 1.00 15.33 H new ATOM 0 HE2 HIS A 15 32.039 4.992 -18.663 1.00 14.31 H new ATOM 216 N PRO A 16 30.771 1.291 -12.510 1.00 11.43 N ATOM 217 CA PRO A 16 30.245 0.478 -11.409 1.00 44.12 C ATOM 218 C PRO A 16 29.058 -0.378 -11.837 1.00 23.33 C ATOM 219 O PRO A 16 28.666 -0.377 -13.004 1.00 43.12 O ATOM 220 CB PRO A 16 29.809 1.519 -10.376 1.00 12.44 C ATOM 221 CG PRO A 16 29.530 2.748 -11.170 1.00 44.34 C ATOM 222 CD PRO A 16 30.499 2.726 -12.320 1.00 41.13 C ATOM 0 HA PRO A 16 30.985 -0.229 -11.035 1.00 44.12 H new ATOM 0 HB2 PRO A 16 28.924 1.190 -9.832 1.00 12.44 H new ATOM 0 HB3 PRO A 16 30.591 1.694 -9.637 1.00 12.44 H new ATOM 0 HG2 PRO A 16 28.500 2.757 -11.527 1.00 44.34 H new ATOM 0 HG3 PRO A 16 29.664 3.644 -10.563 1.00 44.34 H new ATOM 0 HD2 PRO A 16 30.070 3.176 -13.215 1.00 41.13 H new ATOM 0 HD3 PRO A 16 31.409 3.280 -12.089 1.00 41.13 H new ATOM 230 N THR A 17 28.488 -1.110 -10.884 1.00 2.40 N ATOM 231 CA THR A 17 27.346 -1.971 -11.162 1.00 61.11 C ATOM 232 C THR A 17 26.103 -1.493 -10.421 1.00 0.32 C ATOM 233 O THR A 17 26.138 -1.264 -9.211 1.00 73.02 O ATOM 234 CB THR A 17 27.635 -3.432 -10.767 1.00 40.25 C ATOM 235 OG1 THR A 17 28.806 -3.900 -11.446 1.00 74.32 O ATOM 236 CG2 THR A 17 26.453 -4.328 -11.106 1.00 43.25 C ATOM 0 H THR A 17 28.799 -1.123 -9.913 1.00 2.40 H new ATOM 0 HA THR A 17 27.167 -1.921 -12.236 1.00 61.11 H new ATOM 0 HB THR A 17 27.801 -3.469 -9.690 1.00 40.25 H new ATOM 0 HG1 THR A 17 28.984 -4.829 -11.189 1.00 74.32 H new ATOM 0 HG21 THR A 17 26.680 -5.354 -10.818 1.00 43.25 H new ATOM 0 HG22 THR A 17 25.571 -3.986 -10.565 1.00 43.25 H new ATOM 0 HG23 THR A 17 26.260 -4.286 -12.178 1.00 43.25 H new ATOM 244 N THR A 18 25.004 -1.343 -11.153 1.00 75.42 N ATOM 245 CA THR A 18 23.749 -0.892 -10.565 1.00 11.30 C ATOM 246 C THR A 18 22.761 -2.044 -10.424 1.00 25.33 C ATOM 247 O THR A 18 22.688 -2.920 -11.286 1.00 61.12 O ATOM 248 CB THR A 18 23.102 0.223 -11.409 1.00 21.03 C ATOM 249 OG1 THR A 18 24.084 0.826 -12.260 1.00 33.45 O ATOM 250 CG2 THR A 18 22.477 1.284 -10.516 1.00 5.33 C ATOM 0 H THR A 18 24.958 -1.527 -12.155 1.00 75.42 H new ATOM 0 HA THR A 18 23.987 -0.499 -9.577 1.00 11.30 H new ATOM 0 HB THR A 18 22.317 -0.223 -12.020 1.00 21.03 H new ATOM 0 HG1 THR A 18 23.664 1.532 -12.794 1.00 33.45 H new ATOM 0 HG21 THR A 18 22.027 2.061 -11.134 1.00 5.33 H new ATOM 0 HG22 THR A 18 21.710 0.827 -9.891 1.00 5.33 H new ATOM 0 HG23 THR A 18 23.246 1.725 -9.882 1.00 5.33 H new ATOM 258 N ILE A 19 22.004 -2.038 -9.332 1.00 52.32 N ATOM 259 CA ILE A 19 21.019 -3.082 -9.080 1.00 62.51 C ATOM 260 C ILE A 19 19.778 -2.516 -8.399 1.00 3.42 C ATOM 261 O ILE A 19 19.878 -1.670 -7.509 1.00 31.12 O ATOM 262 CB ILE A 19 21.603 -4.207 -8.205 1.00 2.14 C ATOM 263 CG1 ILE A 19 21.982 -5.411 -9.069 1.00 22.31 C ATOM 264 CG2 ILE A 19 20.607 -4.613 -7.129 1.00 54.40 C ATOM 265 CD1 ILE A 19 22.186 -6.684 -8.276 1.00 50.54 C ATOM 0 H ILE A 19 22.054 -1.322 -8.608 1.00 52.32 H new ATOM 0 HA ILE A 19 20.741 -3.494 -10.050 1.00 62.51 H new ATOM 0 HB ILE A 19 22.504 -3.836 -7.717 1.00 2.14 H new ATOM 0 HG12 ILE A 19 21.201 -5.576 -9.811 1.00 22.31 H new ATOM 0 HG13 ILE A 19 22.897 -5.182 -9.615 1.00 22.31 H new ATOM 0 HG21 ILE A 19 21.035 -5.409 -6.519 1.00 54.40 H new ATOM 0 HG22 ILE A 19 20.382 -3.753 -6.498 1.00 54.40 H new ATOM 0 HG23 ILE A 19 19.689 -4.968 -7.598 1.00 54.40 H new ATOM 0 HD11 ILE A 19 22.452 -7.496 -8.953 1.00 50.54 H new ATOM 0 HD12 ILE A 19 22.988 -6.537 -7.552 1.00 50.54 H new ATOM 0 HD13 ILE A 19 21.265 -6.937 -7.751 1.00 50.54 H new ATOM 277 N CYS A 20 18.611 -2.988 -8.821 1.00 53.42 N ATOM 278 CA CYS A 20 17.349 -2.529 -8.251 1.00 40.40 C ATOM 279 C CYS A 20 16.579 -3.689 -7.630 1.00 32.30 C ATOM 280 O CYS A 20 16.213 -4.643 -8.317 1.00 35.34 O ATOM 281 CB CYS A 20 16.496 -1.851 -9.325 1.00 65.51 C ATOM 282 SG CYS A 20 16.302 -2.826 -10.836 1.00 11.42 S ATOM 0 H CYS A 20 18.512 -3.688 -9.556 1.00 53.42 H new ATOM 0 HA CYS A 20 17.575 -1.806 -7.467 1.00 40.40 H new ATOM 0 HB2 CYS A 20 15.510 -1.641 -8.912 1.00 65.51 H new ATOM 0 HB3 CYS A 20 16.946 -0.891 -9.579 1.00 65.51 H new ATOM 0 HG CYS A 20 16.127 -4.076 -10.526 1.00 11.42 H new ATOM 288 N VAL A 21 16.338 -3.602 -6.326 1.00 34.23 N ATOM 289 CA VAL A 21 15.611 -4.645 -5.611 1.00 65.32 C ATOM 290 C VAL A 21 14.658 -4.046 -4.583 1.00 42.04 C ATOM 291 O VAL A 21 14.932 -2.994 -4.006 1.00 51.53 O ATOM 292 CB VAL A 21 16.575 -5.613 -4.898 1.00 43.54 C ATOM 293 CG1 VAL A 21 17.337 -6.452 -5.913 1.00 11.30 C ATOM 294 CG2 VAL A 21 17.535 -4.844 -4.002 1.00 54.03 C ATOM 0 H VAL A 21 16.635 -2.820 -5.743 1.00 34.23 H new ATOM 0 HA VAL A 21 15.037 -5.197 -6.355 1.00 65.32 H new ATOM 0 HB VAL A 21 15.989 -6.286 -4.272 1.00 43.54 H new ATOM 0 HG11 VAL A 21 18.013 -7.129 -5.391 1.00 11.30 H new ATOM 0 HG12 VAL A 21 16.632 -7.031 -6.509 1.00 11.30 H new ATOM 0 HG13 VAL A 21 17.913 -5.797 -6.567 1.00 11.30 H new ATOM 0 HG21 VAL A 21 18.209 -5.543 -3.506 1.00 54.03 H new ATOM 0 HG22 VAL A 21 18.116 -4.146 -4.605 1.00 54.03 H new ATOM 0 HG23 VAL A 21 16.969 -4.291 -3.252 1.00 54.03 H new ATOM 304 N VAL A 22 13.537 -4.724 -4.359 1.00 11.54 N ATOM 305 CA VAL A 22 12.542 -4.259 -3.399 1.00 25.23 C ATOM 306 C VAL A 22 13.080 -4.328 -1.974 1.00 30.33 C ATOM 307 O VAL A 22 13.976 -5.117 -1.675 1.00 44.14 O ATOM 308 CB VAL A 22 11.247 -5.087 -3.488 1.00 31.33 C ATOM 309 CG1 VAL A 22 11.483 -6.504 -2.987 1.00 10.04 C ATOM 310 CG2 VAL A 22 10.130 -4.415 -2.704 1.00 2.24 C ATOM 0 H VAL A 22 13.295 -5.596 -4.829 1.00 11.54 H new ATOM 0 HA VAL A 22 12.319 -3.222 -3.650 1.00 25.23 H new ATOM 0 HB VAL A 22 10.944 -5.143 -4.533 1.00 31.33 H new ATOM 0 HG11 VAL A 22 10.557 -7.074 -3.058 1.00 10.04 H new ATOM 0 HG12 VAL A 22 12.250 -6.982 -3.596 1.00 10.04 H new ATOM 0 HG13 VAL A 22 11.811 -6.473 -1.948 1.00 10.04 H new ATOM 0 HG21 VAL A 22 9.222 -5.014 -2.778 1.00 2.24 H new ATOM 0 HG22 VAL A 22 10.422 -4.327 -1.658 1.00 2.24 H new ATOM 0 HG23 VAL A 22 9.944 -3.422 -3.114 1.00 2.24 H new ATOM 320 N MET A 23 12.525 -3.497 -1.097 1.00 65.51 N ATOM 321 CA MET A 23 12.948 -3.466 0.298 1.00 3.32 C ATOM 322 C MET A 23 12.900 -4.861 0.913 1.00 55.11 C ATOM 323 O MET A 23 13.775 -5.237 1.693 1.00 12.40 O ATOM 324 CB MET A 23 12.062 -2.511 1.100 1.00 0.14 C ATOM 325 CG MET A 23 12.702 -2.028 2.392 1.00 32.50 C ATOM 326 SD MET A 23 12.462 -3.180 3.759 1.00 54.04 S ATOM 327 CE MET A 23 10.685 -3.091 3.968 1.00 0.10 C ATOM 0 H MET A 23 11.782 -2.837 -1.328 1.00 65.51 H new ATOM 0 HA MET A 23 13.978 -3.110 0.331 1.00 3.32 H new ATOM 0 HB2 MET A 23 11.818 -1.648 0.480 1.00 0.14 H new ATOM 0 HB3 MET A 23 11.122 -3.011 1.334 1.00 0.14 H new ATOM 0 HG2 MET A 23 13.770 -1.879 2.231 1.00 32.50 H new ATOM 0 HG3 MET A 23 12.282 -1.059 2.661 1.00 32.50 H new ATOM 0 HE1 MET A 23 10.453 -2.550 4.885 1.00 0.10 H new ATOM 0 HE2 MET A 23 10.244 -2.570 3.118 1.00 0.10 H new ATOM 0 HE3 MET A 23 10.275 -4.099 4.028 1.00 0.10 H new ATOM 337 N ASP A 24 11.872 -5.624 0.557 1.00 51.40 N ATOM 338 CA ASP A 24 11.710 -6.978 1.073 1.00 12.23 C ATOM 339 C ASP A 24 12.918 -7.841 0.723 1.00 32.12 C ATOM 340 O ASP A 24 13.350 -8.674 1.520 1.00 33.02 O ATOM 341 CB ASP A 24 10.435 -7.611 0.513 1.00 2.01 C ATOM 342 CG ASP A 24 9.969 -8.797 1.334 1.00 32.11 C ATOM 343 OD1 ASP A 24 10.396 -9.931 1.033 1.00 32.10 O ATOM 344 OD2 ASP A 24 9.176 -8.591 2.277 1.00 21.42 O ATOM 0 H ASP A 24 11.139 -5.328 -0.087 1.00 51.40 H new ATOM 0 HA ASP A 24 11.630 -6.920 2.159 1.00 12.23 H new ATOM 0 HB2 ASP A 24 9.644 -6.861 0.481 1.00 2.01 H new ATOM 0 HB3 ASP A 24 10.612 -7.931 -0.514 1.00 2.01 H new ATOM 349 N ARG A 25 13.458 -7.637 -0.474 1.00 14.11 N ATOM 350 CA ARG A 25 14.614 -8.398 -0.930 1.00 61.14 C ATOM 351 C ARG A 25 15.900 -7.598 -0.744 1.00 52.55 C ATOM 352 O ARG A 25 17.001 -8.138 -0.851 1.00 11.10 O ATOM 353 CB ARG A 25 14.449 -8.784 -2.402 1.00 2.24 C ATOM 354 CG ARG A 25 13.217 -9.631 -2.675 1.00 1.03 C ATOM 355 CD ARG A 25 13.531 -11.116 -2.586 1.00 24.22 C ATOM 356 NE ARG A 25 13.942 -11.667 -3.875 1.00 0.24 N ATOM 357 CZ ARG A 25 14.142 -12.962 -4.090 1.00 74.33 C ATOM 358 NH1 ARG A 25 13.969 -13.836 -3.108 1.00 13.41 N ATOM 359 NH2 ARG A 25 14.514 -13.386 -5.291 1.00 64.50 N ATOM 0 H ARG A 25 13.113 -6.951 -1.145 1.00 14.11 H new ATOM 0 HA ARG A 25 14.681 -9.305 -0.329 1.00 61.14 H new ATOM 0 HB2 ARG A 25 14.396 -7.876 -3.003 1.00 2.24 H new ATOM 0 HB3 ARG A 25 15.334 -9.330 -2.727 1.00 2.24 H new ATOM 0 HG2 ARG A 25 12.435 -9.380 -1.958 1.00 1.03 H new ATOM 0 HG3 ARG A 25 12.827 -9.399 -3.666 1.00 1.03 H new ATOM 0 HD2 ARG A 25 14.323 -11.276 -1.854 1.00 24.22 H new ATOM 0 HD3 ARG A 25 12.652 -11.651 -2.227 1.00 24.22 H new ATOM 0 HE ARG A 25 14.083 -11.022 -4.652 1.00 0.24 H new ATOM 0 HH11 ARG A 25 13.681 -13.514 -2.184 1.00 13.41 H new ATOM 0 HH12 ARG A 25 14.124 -14.830 -3.277 1.00 13.41 H new ATOM 0 HH21 ARG A 25 14.646 -12.717 -6.050 1.00 64.50 H new ATOM 0 HH22 ARG A 25 14.668 -14.381 -5.456 1.00 64.50 H new ATOM 373 N PHE A 26 15.752 -6.306 -0.467 1.00 32.54 N ATOM 374 CA PHE A 26 16.901 -5.431 -0.267 1.00 54.33 C ATOM 375 C PHE A 26 17.707 -5.860 0.955 1.00 35.51 C ATOM 376 O PHE A 26 18.937 -5.912 0.915 1.00 14.24 O ATOM 377 CB PHE A 26 16.441 -3.980 -0.105 1.00 61.31 C ATOM 378 CG PHE A 26 17.574 -3.005 0.041 1.00 62.32 C ATOM 379 CD1 PHE A 26 18.690 -3.093 -0.776 1.00 2.52 C ATOM 380 CD2 PHE A 26 17.523 -2.001 0.994 1.00 22.22 C ATOM 381 CE1 PHE A 26 19.734 -2.197 -0.643 1.00 25.01 C ATOM 382 CE2 PHE A 26 18.564 -1.102 1.131 1.00 23.44 C ATOM 383 CZ PHE A 26 19.671 -1.200 0.311 1.00 70.00 C ATOM 0 H PHE A 26 14.848 -5.843 -0.376 1.00 32.54 H new ATOM 0 HA PHE A 26 17.541 -5.507 -1.146 1.00 54.33 H new ATOM 0 HB2 PHE A 26 15.840 -3.699 -0.970 1.00 61.31 H new ATOM 0 HB3 PHE A 26 15.795 -3.908 0.770 1.00 61.31 H new ATOM 0 HD1 PHE A 26 18.744 -3.870 -1.524 1.00 2.52 H new ATOM 0 HD2 PHE A 26 16.660 -1.920 1.638 1.00 22.22 H new ATOM 0 HE1 PHE A 26 20.599 -2.276 -1.285 1.00 25.01 H new ATOM 0 HE2 PHE A 26 18.512 -0.324 1.878 1.00 23.44 H new ATOM 0 HZ PHE A 26 20.486 -0.499 0.415 1.00 70.00 H new ATOM 393 N LEU A 27 17.005 -6.168 2.040 1.00 11.34 N ATOM 394 CA LEU A 27 17.654 -6.593 3.276 1.00 53.11 C ATOM 395 C LEU A 27 18.516 -7.829 3.041 1.00 51.02 C ATOM 396 O LEU A 27 19.679 -7.871 3.440 1.00 11.24 O ATOM 397 CB LEU A 27 16.606 -6.885 4.351 1.00 34.01 C ATOM 398 CG LEU A 27 17.146 -7.283 5.725 1.00 3.30 C ATOM 399 CD1 LEU A 27 16.170 -6.880 6.820 1.00 63.33 C ATOM 400 CD2 LEU A 27 17.422 -8.778 5.777 1.00 21.32 C ATOM 0 H LEU A 27 15.987 -6.132 2.089 1.00 11.34 H new ATOM 0 HA LEU A 27 18.299 -5.783 3.616 1.00 53.11 H new ATOM 0 HB2 LEU A 27 15.981 -6.000 4.471 1.00 34.01 H new ATOM 0 HB3 LEU A 27 15.959 -7.685 3.991 1.00 34.01 H new ATOM 0 HG LEU A 27 18.085 -6.755 5.892 1.00 3.30 H new ATOM 0 HD11 LEU A 27 16.571 -7.171 7.791 1.00 63.33 H new ATOM 0 HD12 LEU A 27 16.023 -5.800 6.797 1.00 63.33 H new ATOM 0 HD13 LEU A 27 15.215 -7.379 6.658 1.00 63.33 H new ATOM 0 HD21 LEU A 27 17.806 -9.043 6.762 1.00 21.32 H new ATOM 0 HD22 LEU A 27 16.499 -9.325 5.588 1.00 21.32 H new ATOM 0 HD23 LEU A 27 18.160 -9.038 5.018 1.00 21.32 H new ATOM 412 N GLU A 28 17.937 -8.832 2.388 1.00 24.30 N ATOM 413 CA GLU A 28 18.654 -10.069 2.099 1.00 43.43 C ATOM 414 C GLU A 28 19.746 -9.834 1.059 1.00 41.13 C ATOM 415 O GLU A 28 20.878 -10.289 1.218 1.00 25.52 O ATOM 416 CB GLU A 28 17.684 -11.143 1.602 1.00 2.41 C ATOM 417 CG GLU A 28 18.159 -12.561 1.868 1.00 34.41 C ATOM 418 CD GLU A 28 18.478 -12.805 3.330 1.00 21.13 C ATOM 419 OE1 GLU A 28 17.742 -12.281 4.193 1.00 63.50 O ATOM 420 OE2 GLU A 28 19.463 -13.519 3.612 1.00 43.31 O ATOM 0 H GLU A 28 16.975 -8.812 2.050 1.00 24.30 H new ATOM 0 HA GLU A 28 19.122 -10.412 3.022 1.00 43.43 H new ATOM 0 HB2 GLU A 28 16.716 -10.997 2.082 1.00 2.41 H new ATOM 0 HB3 GLU A 28 17.531 -11.015 0.530 1.00 2.41 H new ATOM 0 HG2 GLU A 28 17.391 -13.264 1.545 1.00 34.41 H new ATOM 0 HG3 GLU A 28 19.047 -12.761 1.268 1.00 34.41 H new ATOM 427 N SER A 29 19.397 -9.120 -0.007 1.00 34.12 N ATOM 428 CA SER A 29 20.345 -8.828 -1.076 1.00 35.03 C ATOM 429 C SER A 29 21.586 -8.132 -0.526 1.00 31.13 C ATOM 430 O SER A 29 22.709 -8.424 -0.937 1.00 30.21 O ATOM 431 CB SER A 29 19.687 -7.953 -2.144 1.00 73.14 C ATOM 432 OG SER A 29 19.508 -6.627 -1.678 1.00 53.24 O ATOM 0 H SER A 29 18.465 -8.733 -0.153 1.00 34.12 H new ATOM 0 HA SER A 29 20.649 -9.773 -1.527 1.00 35.03 H new ATOM 0 HB2 SER A 29 20.303 -7.946 -3.043 1.00 73.14 H new ATOM 0 HB3 SER A 29 18.722 -8.377 -2.422 1.00 73.14 H new ATOM 0 HG SER A 29 19.297 -6.642 -0.721 1.00 53.24 H new ATOM 438 N PHE A 30 21.375 -7.209 0.407 1.00 73.30 N ATOM 439 CA PHE A 30 22.475 -6.470 1.014 1.00 44.23 C ATOM 440 C PHE A 30 23.347 -7.391 1.862 1.00 65.13 C ATOM 441 O PHE A 30 24.575 -7.352 1.778 1.00 10.11 O ATOM 442 CB PHE A 30 21.936 -5.325 1.874 1.00 32.31 C ATOM 443 CG PHE A 30 22.558 -5.257 3.239 1.00 2.24 C ATOM 444 CD1 PHE A 30 23.870 -4.840 3.397 1.00 62.01 C ATOM 445 CD2 PHE A 30 21.831 -5.609 4.365 1.00 2.51 C ATOM 446 CE1 PHE A 30 24.445 -4.777 4.652 1.00 45.10 C ATOM 447 CE2 PHE A 30 22.401 -5.547 5.623 1.00 40.00 C ATOM 448 CZ PHE A 30 23.710 -5.130 5.766 1.00 13.45 C ATOM 0 H PHE A 30 20.452 -6.955 0.759 1.00 73.30 H new ATOM 0 HA PHE A 30 23.087 -6.056 0.212 1.00 44.23 H new ATOM 0 HB2 PHE A 30 22.108 -4.381 1.357 1.00 32.31 H new ATOM 0 HB3 PHE A 30 20.857 -5.438 1.980 1.00 32.31 H new ATOM 0 HD1 PHE A 30 24.450 -4.561 2.530 1.00 62.01 H new ATOM 0 HD2 PHE A 30 20.807 -5.936 4.259 1.00 2.51 H new ATOM 0 HE1 PHE A 30 25.469 -4.452 4.761 1.00 45.10 H new ATOM 0 HE2 PHE A 30 21.824 -5.824 6.493 1.00 40.00 H new ATOM 0 HZ PHE A 30 24.158 -5.080 6.748 1.00 13.45 H new ATOM 458 N SER A 31 22.704 -8.219 2.678 1.00 33.04 N ATOM 459 CA SER A 31 23.420 -9.148 3.545 1.00 14.54 C ATOM 460 C SER A 31 24.371 -10.023 2.736 1.00 71.32 C ATOM 461 O SER A 31 25.531 -10.202 3.104 1.00 43.10 O ATOM 462 CB SER A 31 22.431 -10.025 4.315 1.00 33.12 C ATOM 463 OG SER A 31 23.093 -11.108 4.945 1.00 1.12 O ATOM 0 H SER A 31 21.688 -8.266 2.757 1.00 33.04 H new ATOM 0 HA SER A 31 24.007 -8.565 4.255 1.00 14.54 H new ATOM 0 HB2 SER A 31 21.915 -9.425 5.064 1.00 33.12 H new ATOM 0 HB3 SER A 31 21.671 -10.406 3.633 1.00 33.12 H new ATOM 0 HG SER A 31 22.439 -11.652 5.432 1.00 1.12 H new ATOM 469 N GLU A 32 23.869 -10.567 1.631 1.00 4.20 N ATOM 470 CA GLU A 32 24.674 -11.425 0.769 1.00 2.24 C ATOM 471 C GLU A 32 25.678 -10.602 -0.033 1.00 23.12 C ATOM 472 O GLU A 32 26.838 -10.990 -0.183 1.00 34.41 O ATOM 473 CB GLU A 32 23.775 -12.219 -0.180 1.00 31.30 C ATOM 474 CG GLU A 32 24.446 -13.449 -0.768 1.00 22.35 C ATOM 475 CD GLU A 32 24.472 -14.618 0.199 1.00 55.33 C ATOM 476 OE1 GLU A 32 23.437 -15.306 0.326 1.00 44.13 O ATOM 477 OE2 GLU A 32 25.527 -14.844 0.828 1.00 54.42 O ATOM 0 H GLU A 32 22.910 -10.429 1.312 1.00 4.20 H new ATOM 0 HA GLU A 32 25.224 -12.120 1.403 1.00 2.24 H new ATOM 0 HB2 GLU A 32 22.877 -12.527 0.356 1.00 31.30 H new ATOM 0 HB3 GLU A 32 23.454 -11.567 -0.993 1.00 31.30 H new ATOM 0 HG2 GLU A 32 23.921 -13.745 -1.676 1.00 22.35 H new ATOM 0 HG3 GLU A 32 25.467 -13.198 -1.057 1.00 22.35 H new ATOM 484 N LEU A 33 25.225 -9.464 -0.547 1.00 20.11 N ATOM 485 CA LEU A 33 26.082 -8.585 -1.335 1.00 24.41 C ATOM 486 C LEU A 33 27.328 -8.191 -0.548 1.00 23.50 C ATOM 487 O LEU A 33 28.421 -8.087 -1.107 1.00 15.03 O ATOM 488 CB LEU A 33 25.313 -7.332 -1.755 1.00 11.23 C ATOM 489 CG LEU A 33 26.116 -6.274 -2.512 1.00 52.34 C ATOM 490 CD1 LEU A 33 26.878 -5.386 -1.541 1.00 43.34 C ATOM 491 CD2 LEU A 33 27.070 -6.933 -3.498 1.00 2.45 C ATOM 0 H LEU A 33 24.269 -9.128 -0.432 1.00 20.11 H new ATOM 0 HA LEU A 33 26.394 -9.128 -2.227 1.00 24.41 H new ATOM 0 HB2 LEU A 33 24.473 -7.638 -2.379 1.00 11.23 H new ATOM 0 HB3 LEU A 33 24.894 -6.870 -0.861 1.00 11.23 H new ATOM 0 HG LEU A 33 25.420 -5.650 -3.073 1.00 52.34 H new ATOM 0 HD11 LEU A 33 27.444 -4.639 -2.098 1.00 43.34 H new ATOM 0 HD12 LEU A 33 26.174 -4.886 -0.876 1.00 43.34 H new ATOM 0 HD13 LEU A 33 27.564 -5.995 -0.952 1.00 43.34 H new ATOM 0 HD21 LEU A 33 27.633 -6.165 -4.028 1.00 2.45 H new ATOM 0 HD22 LEU A 33 27.760 -7.582 -2.958 1.00 2.45 H new ATOM 0 HD23 LEU A 33 26.501 -7.525 -4.215 1.00 2.45 H new ATOM 503 N TYR A 34 27.157 -7.976 0.752 1.00 63.25 N ATOM 504 CA TYR A 34 28.268 -7.594 1.616 1.00 53.24 C ATOM 505 C TYR A 34 29.252 -8.748 1.781 1.00 40.33 C ATOM 506 O TYR A 34 30.458 -8.536 1.912 1.00 34.04 O ATOM 507 CB TYR A 34 27.748 -7.153 2.985 1.00 54.43 C ATOM 508 CG TYR A 34 28.841 -6.928 4.004 1.00 2.42 C ATOM 509 CD1 TYR A 34 29.332 -7.979 4.769 1.00 61.03 C ATOM 510 CD2 TYR A 34 29.383 -5.664 4.204 1.00 50.01 C ATOM 511 CE1 TYR A 34 30.331 -7.778 5.702 1.00 72.31 C ATOM 512 CE2 TYR A 34 30.383 -5.454 5.134 1.00 72.24 C ATOM 513 CZ TYR A 34 30.853 -6.514 5.880 1.00 22.33 C ATOM 514 OH TYR A 34 31.848 -6.309 6.809 1.00 61.14 O ATOM 0 H TYR A 34 26.260 -8.060 1.230 1.00 63.25 H new ATOM 0 HA TYR A 34 28.790 -6.760 1.147 1.00 53.24 H new ATOM 0 HB2 TYR A 34 27.177 -6.232 2.868 1.00 54.43 H new ATOM 0 HB3 TYR A 34 27.060 -7.909 3.364 1.00 54.43 H new ATOM 0 HD1 TYR A 34 28.926 -8.970 4.632 1.00 61.03 H new ATOM 0 HD2 TYR A 34 29.016 -4.831 3.622 1.00 50.01 H new ATOM 0 HE1 TYR A 34 30.701 -8.606 6.289 1.00 72.31 H new ATOM 0 HE2 TYR A 34 30.794 -4.465 5.276 1.00 72.24 H new ATOM 0 HH TYR A 34 32.385 -7.124 6.898 1.00 61.14 H new ATOM 524 N ASP A 35 28.729 -9.969 1.772 1.00 53.42 N ATOM 525 CA ASP A 35 29.560 -11.158 1.919 1.00 52.13 C ATOM 526 C ASP A 35 30.368 -11.416 0.651 1.00 71.02 C ATOM 527 O ASP A 35 31.439 -12.021 0.698 1.00 22.24 O ATOM 528 CB ASP A 35 28.693 -12.375 2.242 1.00 33.45 C ATOM 529 CG ASP A 35 29.049 -13.002 3.576 1.00 1.22 C ATOM 530 OD1 ASP A 35 30.119 -13.640 3.665 1.00 31.43 O ATOM 531 OD2 ASP A 35 28.259 -12.853 4.531 1.00 13.23 O ATOM 0 H ASP A 35 27.733 -10.161 1.664 1.00 53.42 H new ATOM 0 HA ASP A 35 30.254 -10.987 2.742 1.00 52.13 H new ATOM 0 HB2 ASP A 35 27.644 -12.078 2.252 1.00 33.45 H new ATOM 0 HB3 ASP A 35 28.807 -13.118 1.453 1.00 33.45 H new ATOM 536 N ILE A 36 29.847 -10.954 -0.481 1.00 32.40 N ATOM 537 CA ILE A 36 30.520 -11.136 -1.761 1.00 50.41 C ATOM 538 C ILE A 36 31.312 -9.891 -2.147 1.00 11.23 C ATOM 539 O ILE A 36 32.224 -9.954 -2.971 1.00 61.24 O ATOM 540 CB ILE A 36 29.517 -11.460 -2.884 1.00 32.33 C ATOM 541 CG1 ILE A 36 30.239 -11.565 -4.228 1.00 62.14 C ATOM 542 CG2 ILE A 36 28.427 -10.401 -2.943 1.00 11.51 C ATOM 543 CD1 ILE A 36 30.116 -10.320 -5.079 1.00 61.30 C ATOM 0 H ILE A 36 28.961 -10.451 -0.538 1.00 32.40 H new ATOM 0 HA ILE A 36 31.203 -11.977 -1.641 1.00 50.41 H new ATOM 0 HB ILE A 36 29.051 -12.421 -2.668 1.00 32.33 H new ATOM 0 HG12 ILE A 36 31.294 -11.770 -4.049 1.00 62.14 H new ATOM 0 HG13 ILE A 36 29.838 -12.414 -4.781 1.00 62.14 H new ATOM 0 HG21 ILE A 36 27.726 -10.644 -3.742 1.00 11.51 H new ATOM 0 HG22 ILE A 36 27.897 -10.371 -1.991 1.00 11.51 H new ATOM 0 HG23 ILE A 36 28.876 -9.427 -3.139 1.00 11.51 H new ATOM 0 HD11 ILE A 36 30.652 -10.466 -6.017 1.00 61.30 H new ATOM 0 HD12 ILE A 36 29.064 -10.125 -5.289 1.00 61.30 H new ATOM 0 HD13 ILE A 36 30.543 -9.471 -4.545 1.00 61.30 H new ATOM 555 N ILE A 37 30.958 -8.761 -1.544 1.00 3.13 N ATOM 556 CA ILE A 37 31.638 -7.502 -1.822 1.00 1.11 C ATOM 557 C ILE A 37 33.132 -7.609 -1.537 1.00 63.40 C ATOM 558 O ILE A 37 33.928 -6.809 -2.029 1.00 53.04 O ATOM 559 CB ILE A 37 31.050 -6.348 -0.988 1.00 73.24 C ATOM 560 CG1 ILE A 37 31.437 -5.000 -1.599 1.00 53.21 C ATOM 561 CG2 ILE A 37 31.527 -6.439 0.453 1.00 31.43 C ATOM 562 CD1 ILE A 37 30.620 -4.632 -2.818 1.00 13.42 C ATOM 0 H ILE A 37 30.204 -8.692 -0.860 1.00 3.13 H new ATOM 0 HA ILE A 37 31.486 -7.289 -2.880 1.00 1.11 H new ATOM 0 HB ILE A 37 29.963 -6.431 -0.996 1.00 73.24 H new ATOM 0 HG12 ILE A 37 31.320 -4.222 -0.845 1.00 53.21 H new ATOM 0 HG13 ILE A 37 32.492 -5.024 -1.872 1.00 53.21 H new ATOM 0 HG21 ILE A 37 31.103 -5.617 1.029 1.00 31.43 H new ATOM 0 HG22 ILE A 37 31.206 -7.387 0.883 1.00 31.43 H new ATOM 0 HG23 ILE A 37 32.615 -6.378 0.481 1.00 31.43 H new ATOM 0 HD11 ILE A 37 30.949 -3.665 -3.198 1.00 13.42 H new ATOM 0 HD12 ILE A 37 30.756 -5.390 -3.589 1.00 13.42 H new ATOM 0 HD13 ILE A 37 29.566 -4.576 -2.546 1.00 13.42 H new ATOM 574 N ASP A 38 33.507 -8.604 -0.741 1.00 30.43 N ATOM 575 CA ASP A 38 34.907 -8.819 -0.392 1.00 74.22 C ATOM 576 C ASP A 38 35.722 -9.197 -1.625 1.00 33.40 C ATOM 577 O ASP A 38 36.892 -8.834 -1.742 1.00 34.30 O ATOM 578 CB ASP A 38 35.028 -9.913 0.670 1.00 72.11 C ATOM 579 CG ASP A 38 36.425 -10.004 1.251 1.00 42.31 C ATOM 580 OD1 ASP A 38 36.699 -9.303 2.248 1.00 64.45 O ATOM 581 OD2 ASP A 38 37.245 -10.774 0.708 1.00 31.44 O ATOM 0 H ASP A 38 32.861 -9.275 -0.325 1.00 30.43 H new ATOM 0 HA ASP A 38 35.303 -7.887 0.011 1.00 74.22 H new ATOM 0 HB2 ASP A 38 34.316 -9.717 1.472 1.00 72.11 H new ATOM 0 HB3 ASP A 38 34.757 -10.873 0.231 1.00 72.11 H new ATOM 586 N GLU A 39 35.095 -9.930 -2.541 1.00 2.43 N ATOM 587 CA GLU A 39 35.764 -10.358 -3.764 1.00 21.35 C ATOM 588 C GLU A 39 36.178 -9.156 -4.607 1.00 65.11 C ATOM 589 O GLU A 39 35.929 -8.010 -4.237 1.00 44.41 O ATOM 590 CB GLU A 39 34.849 -11.275 -4.577 1.00 74.15 C ATOM 591 CG GLU A 39 34.823 -12.710 -4.077 1.00 42.43 C ATOM 592 CD GLU A 39 33.768 -12.938 -3.013 1.00 13.32 C ATOM 593 OE1 GLU A 39 33.906 -12.371 -1.909 1.00 34.13 O ATOM 594 OE2 GLU A 39 32.803 -13.683 -3.285 1.00 21.13 O ATOM 0 H GLU A 39 34.126 -10.239 -2.459 1.00 2.43 H new ATOM 0 HA GLU A 39 36.662 -10.909 -3.483 1.00 21.35 H new ATOM 0 HB2 GLU A 39 33.836 -10.874 -4.556 1.00 74.15 H new ATOM 0 HB3 GLU A 39 35.173 -11.268 -5.618 1.00 74.15 H new ATOM 0 HG2 GLU A 39 34.638 -13.380 -4.917 1.00 42.43 H new ATOM 0 HG3 GLU A 39 35.802 -12.968 -3.674 1.00 42.43 H new ATOM 601 N ASN A 40 36.813 -9.428 -5.743 1.00 22.13 N ATOM 602 CA ASN A 40 37.264 -8.369 -6.639 1.00 33.40 C ATOM 603 C ASN A 40 37.228 -8.834 -8.092 1.00 35.54 C ATOM 604 O ASN A 40 37.890 -8.259 -8.955 1.00 51.21 O ATOM 605 CB ASN A 40 38.681 -7.928 -6.268 1.00 51.44 C ATOM 606 CG ASN A 40 39.064 -6.611 -6.916 1.00 61.23 C ATOM 607 OD1 ASN A 40 38.307 -5.641 -6.872 1.00 61.44 O ATOM 608 ND2 ASN A 40 40.245 -6.572 -7.522 1.00 40.14 N ATOM 0 H ASN A 40 37.027 -10.372 -6.065 1.00 22.13 H new ATOM 0 HA ASN A 40 36.587 -7.522 -6.530 1.00 33.40 H new ATOM 0 HB2 ASN A 40 38.757 -7.833 -5.185 1.00 51.44 H new ATOM 0 HB3 ASN A 40 39.390 -8.699 -6.571 1.00 51.44 H new ATOM 0 HD21 ASN A 40 40.557 -5.714 -7.976 1.00 40.14 H new ATOM 0 HD22 ASN A 40 40.840 -7.400 -7.534 1.00 40.14 H new ATOM 615 N ASP A 41 36.449 -9.879 -8.353 1.00 44.24 N ATOM 616 CA ASP A 41 36.325 -10.421 -9.702 1.00 11.35 C ATOM 617 C ASP A 41 35.028 -9.955 -10.357 1.00 5.31 C ATOM 618 O ASP A 41 33.974 -9.923 -9.721 1.00 5.43 O ATOM 619 CB ASP A 41 36.372 -11.949 -9.666 1.00 44.03 C ATOM 620 CG ASP A 41 37.776 -12.489 -9.855 1.00 63.05 C ATOM 621 OD1 ASP A 41 38.431 -12.105 -10.847 1.00 12.42 O ATOM 622 OD2 ASP A 41 38.220 -13.297 -9.013 1.00 3.14 O ATOM 0 H ASP A 41 35.895 -10.367 -7.649 1.00 44.24 H new ATOM 0 HA ASP A 41 37.163 -10.053 -10.294 1.00 11.35 H new ATOM 0 HB2 ASP A 41 35.976 -12.300 -8.713 1.00 44.03 H new ATOM 0 HB3 ASP A 41 35.724 -12.348 -10.446 1.00 44.03 H new ATOM 627 N THR A 42 35.113 -9.593 -11.633 1.00 43.24 N ATOM 628 CA THR A 42 33.948 -9.126 -12.375 1.00 24.34 C ATOM 629 C THR A 42 32.983 -10.271 -12.659 1.00 61.31 C ATOM 630 O THR A 42 31.773 -10.066 -12.757 1.00 41.01 O ATOM 631 CB THR A 42 34.356 -8.470 -13.707 1.00 61.53 C ATOM 632 OG1 THR A 42 34.882 -9.459 -14.599 1.00 62.43 O ATOM 633 CG2 THR A 42 35.394 -7.382 -13.480 1.00 22.15 C ATOM 0 H THR A 42 35.977 -9.614 -12.175 1.00 43.24 H new ATOM 0 HA THR A 42 33.452 -8.383 -11.751 1.00 24.34 H new ATOM 0 HB THR A 42 33.469 -8.017 -14.149 1.00 61.53 H new ATOM 0 HG1 THR A 42 35.138 -9.034 -15.444 1.00 62.43 H new ATOM 0 HG21 THR A 42 35.666 -6.934 -14.436 1.00 22.15 H new ATOM 0 HG22 THR A 42 34.980 -6.616 -12.824 1.00 22.15 H new ATOM 0 HG23 THR A 42 36.280 -7.816 -13.017 1.00 22.15 H new ATOM 641 N ASP A 43 33.525 -11.477 -12.790 1.00 41.02 N ATOM 642 CA ASP A 43 32.711 -12.656 -13.062 1.00 11.11 C ATOM 643 C ASP A 43 31.796 -12.968 -11.882 1.00 23.44 C ATOM 644 O ASP A 43 30.603 -13.214 -12.056 1.00 15.43 O ATOM 645 CB ASP A 43 33.604 -13.860 -13.364 1.00 30.31 C ATOM 646 CG ASP A 43 34.072 -13.887 -14.806 1.00 1.14 C ATOM 647 OD1 ASP A 43 33.777 -12.923 -15.543 1.00 33.33 O ATOM 648 OD2 ASP A 43 34.733 -14.872 -15.197 1.00 41.31 O ATOM 0 H ASP A 43 34.525 -11.664 -12.712 1.00 41.02 H new ATOM 0 HA ASP A 43 32.091 -12.446 -13.934 1.00 11.11 H new ATOM 0 HB2 ASP A 43 34.471 -13.840 -12.704 1.00 30.31 H new ATOM 0 HB3 ASP A 43 33.058 -14.778 -13.145 1.00 30.31 H new ATOM 653 N VAL A 44 32.365 -12.959 -10.680 1.00 51.01 N ATOM 654 CA VAL A 44 31.601 -13.241 -9.471 1.00 22.33 C ATOM 655 C VAL A 44 30.610 -12.122 -9.173 1.00 2.24 C ATOM 656 O VAL A 44 29.486 -12.373 -8.740 1.00 21.34 O ATOM 657 CB VAL A 44 32.526 -13.430 -8.254 1.00 24.51 C ATOM 658 CG1 VAL A 44 33.388 -12.195 -8.041 1.00 21.20 C ATOM 659 CG2 VAL A 44 31.711 -13.743 -7.008 1.00 51.14 C ATOM 0 H VAL A 44 33.352 -12.759 -10.518 1.00 51.01 H new ATOM 0 HA VAL A 44 31.055 -14.167 -9.651 1.00 22.33 H new ATOM 0 HB VAL A 44 33.186 -14.275 -8.450 1.00 24.51 H new ATOM 0 HG11 VAL A 44 34.035 -12.347 -7.177 1.00 21.20 H new ATOM 0 HG12 VAL A 44 34.000 -12.021 -8.926 1.00 21.20 H new ATOM 0 HG13 VAL A 44 32.748 -11.330 -7.867 1.00 21.20 H new ATOM 0 HG21 VAL A 44 32.381 -13.873 -6.158 1.00 51.14 H new ATOM 0 HG22 VAL A 44 31.025 -12.921 -6.806 1.00 51.14 H new ATOM 0 HG23 VAL A 44 31.143 -14.660 -7.166 1.00 51.14 H new ATOM 669 N MET A 45 31.035 -10.885 -9.408 1.00 2.31 N ATOM 670 CA MET A 45 30.184 -9.726 -9.166 1.00 52.31 C ATOM 671 C MET A 45 29.054 -9.658 -10.189 1.00 31.24 C ATOM 672 O MET A 45 27.903 -9.399 -9.839 1.00 32.40 O ATOM 673 CB MET A 45 31.011 -8.439 -9.217 1.00 35.45 C ATOM 674 CG MET A 45 31.536 -8.001 -7.859 1.00 62.23 C ATOM 675 SD MET A 45 30.233 -7.390 -6.774 1.00 13.21 S ATOM 676 CE MET A 45 29.941 -5.768 -7.475 1.00 40.24 C ATOM 0 H MET A 45 31.963 -10.660 -9.766 1.00 2.31 H new ATOM 0 HA MET A 45 29.746 -9.829 -8.173 1.00 52.31 H new ATOM 0 HB2 MET A 45 31.853 -8.584 -9.894 1.00 35.45 H new ATOM 0 HB3 MET A 45 30.399 -7.640 -9.636 1.00 35.45 H new ATOM 0 HG2 MET A 45 32.038 -8.841 -7.380 1.00 62.23 H new ATOM 0 HG3 MET A 45 32.284 -7.220 -7.998 1.00 62.23 H new ATOM 0 HE1 MET A 45 30.235 -5.003 -6.757 1.00 40.24 H new ATOM 0 HE2 MET A 45 30.528 -5.655 -8.387 1.00 40.24 H new ATOM 0 HE3 MET A 45 28.882 -5.658 -7.709 1.00 40.24 H new ATOM 686 N MET A 46 29.391 -9.892 -11.453 1.00 21.33 N ATOM 687 CA MET A 46 28.404 -9.859 -12.525 1.00 54.33 C ATOM 688 C MET A 46 27.427 -11.024 -12.402 1.00 62.21 C ATOM 689 O MET A 46 26.237 -10.881 -12.680 1.00 54.34 O ATOM 690 CB MET A 46 29.098 -9.902 -13.888 1.00 12.40 C ATOM 691 CG MET A 46 29.578 -11.289 -14.282 1.00 3.11 C ATOM 692 SD MET A 46 30.318 -11.327 -15.926 1.00 3.13 S ATOM 693 CE MET A 46 28.892 -10.968 -16.948 1.00 33.24 C ATOM 0 H MET A 46 30.340 -10.106 -11.760 1.00 21.33 H new ATOM 0 HA MET A 46 27.844 -8.928 -12.440 1.00 54.33 H new ATOM 0 HB2 MET A 46 28.409 -9.535 -14.649 1.00 12.40 H new ATOM 0 HB3 MET A 46 29.950 -9.222 -13.874 1.00 12.40 H new ATOM 0 HG2 MET A 46 30.308 -11.638 -13.551 1.00 3.11 H new ATOM 0 HG3 MET A 46 28.738 -11.983 -14.250 1.00 3.11 H new ATOM 0 HE1 MET A 46 29.077 -11.313 -17.965 1.00 33.24 H new ATOM 0 HE2 MET A 46 28.018 -11.479 -16.545 1.00 33.24 H new ATOM 0 HE3 MET A 46 28.712 -9.893 -16.957 1.00 33.24 H new ATOM 703 N ASP A 47 27.939 -12.177 -11.984 1.00 54.22 N ATOM 704 CA ASP A 47 27.111 -13.367 -11.824 1.00 2.14 C ATOM 705 C ASP A 47 26.163 -13.214 -10.638 1.00 41.43 C ATOM 706 O ASP A 47 24.997 -13.602 -10.709 1.00 12.24 O ATOM 707 CB ASP A 47 27.991 -14.604 -11.633 1.00 13.55 C ATOM 708 CG ASP A 47 27.185 -15.838 -11.277 1.00 0.41 C ATOM 709 OD1 ASP A 47 26.356 -16.265 -12.108 1.00 24.41 O ATOM 710 OD2 ASP A 47 27.384 -16.376 -10.168 1.00 73.01 O ATOM 0 H ASP A 47 28.923 -12.313 -11.750 1.00 54.22 H new ATOM 0 HA ASP A 47 26.515 -13.490 -12.729 1.00 2.14 H new ATOM 0 HB2 ASP A 47 28.552 -14.792 -12.548 1.00 13.55 H new ATOM 0 HB3 ASP A 47 28.720 -14.410 -10.846 1.00 13.55 H new ATOM 715 N PHE A 48 26.672 -12.646 -9.550 1.00 31.23 N ATOM 716 CA PHE A 48 25.871 -12.444 -8.348 1.00 2.41 C ATOM 717 C PHE A 48 24.830 -11.350 -8.566 1.00 75.23 C ATOM 718 O PHE A 48 23.663 -11.509 -8.207 1.00 34.42 O ATOM 719 CB PHE A 48 26.771 -12.077 -7.166 1.00 20.53 C ATOM 720 CG PHE A 48 26.018 -11.535 -5.985 1.00 20.14 C ATOM 721 CD1 PHE A 48 25.519 -12.388 -5.013 1.00 41.13 C ATOM 722 CD2 PHE A 48 25.809 -10.172 -5.846 1.00 74.42 C ATOM 723 CE1 PHE A 48 24.826 -11.892 -3.925 1.00 20.10 C ATOM 724 CE2 PHE A 48 25.117 -9.671 -4.760 1.00 12.10 C ATOM 725 CZ PHE A 48 24.624 -10.532 -3.799 1.00 12.31 C ATOM 0 H PHE A 48 27.635 -12.318 -9.476 1.00 31.23 H new ATOM 0 HA PHE A 48 25.352 -13.377 -8.126 1.00 2.41 H new ATOM 0 HB2 PHE A 48 27.329 -12.961 -6.857 1.00 20.53 H new ATOM 0 HB3 PHE A 48 27.501 -11.337 -7.492 1.00 20.53 H new ATOM 0 HD1 PHE A 48 25.674 -13.453 -5.107 1.00 41.13 H new ATOM 0 HD2 PHE A 48 26.191 -9.494 -6.595 1.00 74.42 H new ATOM 0 HE1 PHE A 48 24.443 -12.567 -3.174 1.00 20.10 H new ATOM 0 HE2 PHE A 48 24.962 -8.607 -4.663 1.00 12.10 H new ATOM 0 HZ PHE A 48 24.081 -10.142 -2.950 1.00 12.31 H new ATOM 735 N ILE A 49 25.260 -10.241 -9.157 1.00 42.31 N ATOM 736 CA ILE A 49 24.366 -9.121 -9.424 1.00 34.30 C ATOM 737 C ILE A 49 23.264 -9.519 -10.400 1.00 55.01 C ATOM 738 O ILE A 49 22.084 -9.259 -10.160 1.00 64.05 O ATOM 739 CB ILE A 49 25.131 -7.913 -9.996 1.00 34.14 C ATOM 740 CG1 ILE A 49 25.506 -6.942 -8.874 1.00 21.41 C ATOM 741 CG2 ILE A 49 24.295 -7.210 -11.054 1.00 51.45 C ATOM 742 CD1 ILE A 49 26.833 -7.258 -8.221 1.00 24.23 C ATOM 0 H ILE A 49 26.223 -10.094 -9.460 1.00 42.31 H new ATOM 0 HA ILE A 49 23.920 -8.839 -8.470 1.00 34.30 H new ATOM 0 HB ILE A 49 26.048 -8.270 -10.464 1.00 34.14 H new ATOM 0 HG12 ILE A 49 25.540 -5.930 -9.277 1.00 21.41 H new ATOM 0 HG13 ILE A 49 24.724 -6.957 -8.115 1.00 21.41 H new ATOM 0 HG21 ILE A 49 24.849 -6.358 -11.449 1.00 51.45 H new ATOM 0 HG22 ILE A 49 24.073 -7.905 -11.863 1.00 51.45 H new ATOM 0 HG23 ILE A 49 23.363 -6.862 -10.609 1.00 51.45 H new ATOM 0 HD11 ILE A 49 27.035 -6.530 -7.435 1.00 24.23 H new ATOM 0 HD12 ILE A 49 26.797 -8.258 -7.788 1.00 24.23 H new ATOM 0 HD13 ILE A 49 27.626 -7.215 -8.968 1.00 24.23 H new ATOM 754 N SER A 50 23.656 -10.153 -11.501 1.00 13.42 N ATOM 755 CA SER A 50 22.701 -10.585 -12.515 1.00 24.11 C ATOM 756 C SER A 50 21.734 -11.618 -11.945 1.00 13.20 C ATOM 757 O SER A 50 20.547 -11.618 -12.271 1.00 35.32 O ATOM 758 CB SER A 50 23.438 -11.171 -13.722 1.00 15.45 C ATOM 759 OG SER A 50 22.601 -11.200 -14.865 1.00 14.43 O ATOM 0 H SER A 50 24.628 -10.379 -11.713 1.00 13.42 H new ATOM 0 HA SER A 50 22.128 -9.714 -12.835 1.00 24.11 H new ATOM 0 HB2 SER A 50 24.327 -10.577 -13.933 1.00 15.45 H new ATOM 0 HB3 SER A 50 23.777 -12.181 -13.490 1.00 15.45 H new ATOM 0 HG SER A 50 23.095 -11.577 -15.623 1.00 14.43 H new ATOM 765 N ARG A 51 22.251 -12.496 -11.092 1.00 74.31 N ATOM 766 CA ARG A 51 21.434 -13.536 -10.477 1.00 52.41 C ATOM 767 C ARG A 51 20.516 -12.946 -9.410 1.00 43.31 C ATOM 768 O ARG A 51 19.425 -13.460 -9.161 1.00 45.43 O ATOM 769 CB ARG A 51 22.324 -14.615 -9.859 1.00 45.11 C ATOM 770 CG ARG A 51 22.860 -15.615 -10.870 1.00 64.04 C ATOM 771 CD ARG A 51 21.742 -16.451 -11.473 1.00 25.40 C ATOM 772 NE ARG A 51 22.136 -17.847 -11.648 1.00 2.21 N ATOM 773 CZ ARG A 51 22.238 -18.713 -10.646 1.00 2.22 C ATOM 774 NH1 ARG A 51 21.976 -18.329 -9.404 1.00 44.21 N ATOM 775 NH2 ARG A 51 22.602 -19.966 -10.885 1.00 23.20 N ATOM 0 H ARG A 51 23.231 -12.508 -10.811 1.00 74.31 H new ATOM 0 HA ARG A 51 20.817 -13.986 -11.255 1.00 52.41 H new ATOM 0 HB2 ARG A 51 23.163 -14.137 -9.354 1.00 45.11 H new ATOM 0 HB3 ARG A 51 21.757 -15.150 -9.097 1.00 45.11 H new ATOM 0 HG2 ARG A 51 23.388 -15.085 -11.663 1.00 64.04 H new ATOM 0 HG3 ARG A 51 23.585 -16.270 -10.387 1.00 64.04 H new ATOM 0 HD2 ARG A 51 20.864 -16.400 -10.829 1.00 25.40 H new ATOM 0 HD3 ARG A 51 21.455 -16.032 -12.437 1.00 25.40 H new ATOM 0 HE ARG A 51 22.344 -18.175 -12.591 1.00 2.21 H new ATOM 0 HH11 ARG A 51 21.695 -17.367 -9.216 1.00 44.21 H new ATOM 0 HH12 ARG A 51 22.055 -18.996 -8.636 1.00 44.21 H new ATOM 0 HH21 ARG A 51 22.804 -20.265 -11.839 1.00 23.20 H new ATOM 0 HH22 ARG A 51 22.680 -20.630 -10.115 1.00 23.20 H new ATOM 789 N PHE A 52 20.966 -11.864 -8.782 1.00 62.32 N ATOM 790 CA PHE A 52 20.187 -11.205 -7.741 1.00 33.22 C ATOM 791 C PHE A 52 19.262 -10.149 -8.340 1.00 22.24 C ATOM 792 O PHE A 52 18.332 -9.680 -7.684 1.00 43.35 O ATOM 793 CB PHE A 52 21.116 -10.561 -6.710 1.00 14.32 C ATOM 794 CG PHE A 52 21.393 -11.437 -5.522 1.00 72.20 C ATOM 795 CD1 PHE A 52 21.590 -12.799 -5.681 1.00 23.44 C ATOM 796 CD2 PHE A 52 21.455 -10.899 -4.247 1.00 4.12 C ATOM 797 CE1 PHE A 52 21.846 -13.609 -4.590 1.00 0.23 C ATOM 798 CE2 PHE A 52 21.711 -11.703 -3.152 1.00 62.13 C ATOM 799 CZ PHE A 52 21.905 -13.060 -3.324 1.00 5.12 C ATOM 0 H PHE A 52 21.866 -11.426 -8.976 1.00 62.32 H new ATOM 0 HA PHE A 52 19.575 -11.960 -7.247 1.00 33.22 H new ATOM 0 HB2 PHE A 52 22.060 -10.307 -7.192 1.00 14.32 H new ATOM 0 HB3 PHE A 52 20.672 -9.627 -6.367 1.00 14.32 H new ATOM 0 HD1 PHE A 52 21.543 -13.233 -6.669 1.00 23.44 H new ATOM 0 HD2 PHE A 52 21.302 -9.839 -4.107 1.00 4.12 H new ATOM 0 HE1 PHE A 52 22.000 -14.669 -4.728 1.00 0.23 H new ATOM 0 HE2 PHE A 52 21.759 -11.271 -2.163 1.00 62.13 H new ATOM 0 HZ PHE A 52 22.103 -13.691 -2.470 1.00 5.12 H new ATOM 809 N ALA A 53 19.526 -9.780 -9.589 1.00 20.22 N ATOM 810 CA ALA A 53 18.718 -8.781 -10.277 1.00 71.31 C ATOM 811 C ALA A 53 17.914 -9.411 -11.410 1.00 4.21 C ATOM 812 O ALA A 53 18.236 -10.502 -11.880 1.00 22.32 O ATOM 813 CB ALA A 53 19.602 -7.664 -10.812 1.00 21.42 C ATOM 0 H ALA A 53 20.293 -10.158 -10.145 1.00 20.22 H new ATOM 0 HA ALA A 53 18.015 -8.360 -9.558 1.00 71.31 H new ATOM 0 HB1 ALA A 53 18.985 -6.925 -11.323 1.00 21.42 H new ATOM 0 HB2 ALA A 53 20.127 -7.188 -9.984 1.00 21.42 H new ATOM 0 HB3 ALA A 53 20.328 -8.078 -11.512 1.00 21.42 H new ATOM 819 N ARG A 54 16.867 -8.716 -11.844 1.00 25.45 N ATOM 820 CA ARG A 54 16.017 -9.209 -12.920 1.00 72.02 C ATOM 821 C ARG A 54 15.425 -8.051 -13.718 1.00 72.14 C ATOM 822 O ARG A 54 14.416 -8.208 -14.407 1.00 70.40 O ATOM 823 CB ARG A 54 14.893 -10.079 -12.354 1.00 22.03 C ATOM 824 CG ARG A 54 15.339 -11.484 -11.983 1.00 73.35 C ATOM 825 CD ARG A 54 14.151 -12.381 -11.672 1.00 30.23 C ATOM 826 NE ARG A 54 13.334 -12.638 -12.854 1.00 74.04 N ATOM 827 CZ ARG A 54 13.671 -13.499 -13.808 1.00 31.21 C ATOM 828 NH1 ARG A 54 14.803 -14.183 -13.718 1.00 22.00 N ATOM 829 NH2 ARG A 54 12.874 -13.678 -14.854 1.00 24.10 N ATOM 0 H ARG A 54 16.588 -7.810 -11.467 1.00 25.45 H new ATOM 0 HA ARG A 54 16.632 -9.812 -13.588 1.00 72.02 H new ATOM 0 HB2 ARG A 54 14.479 -9.593 -11.471 1.00 22.03 H new ATOM 0 HB3 ARG A 54 14.090 -10.144 -13.088 1.00 22.03 H new ATOM 0 HG2 ARG A 54 15.915 -11.913 -12.803 1.00 73.35 H new ATOM 0 HG3 ARG A 54 16.000 -11.441 -11.117 1.00 73.35 H new ATOM 0 HD2 ARG A 54 14.508 -13.327 -11.266 1.00 30.23 H new ATOM 0 HD3 ARG A 54 13.537 -11.915 -10.902 1.00 30.23 H new ATOM 0 HE ARG A 54 12.456 -12.128 -12.953 1.00 74.04 H new ATOM 0 HH11 ARG A 54 15.417 -14.049 -12.915 1.00 22.00 H new ATOM 0 HH12 ARG A 54 15.059 -14.843 -14.452 1.00 22.00 H new ATOM 0 HH21 ARG A 54 12.002 -13.154 -14.926 1.00 24.10 H new ATOM 0 HH22 ARG A 54 13.134 -14.339 -15.586 1.00 24.10 H new ATOM 843 N THR A 55 16.059 -6.887 -13.621 1.00 13.51 N ATOM 844 CA THR A 55 15.595 -5.702 -14.332 1.00 14.13 C ATOM 845 C THR A 55 14.097 -5.494 -14.135 1.00 4.24 C ATOM 846 O THR A 55 13.285 -5.973 -14.926 1.00 0.11 O ATOM 847 CB THR A 55 15.894 -5.798 -15.840 1.00 31.24 C ATOM 848 OG1 THR A 55 15.883 -7.169 -16.255 1.00 2.44 O ATOM 849 CG2 THR A 55 17.243 -5.175 -16.164 1.00 62.33 C ATOM 0 H THR A 55 16.896 -6.739 -13.057 1.00 13.51 H new ATOM 0 HA THR A 55 16.135 -4.852 -13.915 1.00 14.13 H new ATOM 0 HB THR A 55 15.120 -5.250 -16.378 1.00 31.24 H new ATOM 0 HG1 THR A 55 15.041 -7.587 -15.979 1.00 2.44 H new ATOM 0 HG21 THR A 55 17.433 -5.254 -17.234 1.00 62.33 H new ATOM 0 HG22 THR A 55 17.238 -4.124 -15.873 1.00 62.33 H new ATOM 0 HG23 THR A 55 18.027 -5.699 -15.617 1.00 62.33 H new ATOM 857 N ASP A 56 13.739 -4.776 -13.076 1.00 20.33 N ATOM 858 CA ASP A 56 12.338 -4.503 -12.776 1.00 23.13 C ATOM 859 C ASP A 56 12.111 -3.011 -12.553 1.00 22.11 C ATOM 860 O ASP A 56 13.055 -2.260 -12.312 1.00 3.33 O ATOM 861 CB ASP A 56 11.896 -5.289 -11.540 1.00 45.12 C ATOM 862 CG ASP A 56 10.890 -6.373 -11.873 1.00 0.22 C ATOM 863 OD1 ASP A 56 11.082 -7.067 -12.893 1.00 31.35 O ATOM 864 OD2 ASP A 56 9.910 -6.526 -11.114 1.00 31.12 O ATOM 0 H ASP A 56 14.399 -4.373 -12.411 1.00 20.33 H new ATOM 0 HA ASP A 56 11.741 -4.820 -13.631 1.00 23.13 H new ATOM 0 HB2 ASP A 56 12.769 -5.740 -11.068 1.00 45.12 H new ATOM 0 HB3 ASP A 56 11.460 -4.603 -10.814 1.00 45.12 H new ATOM 869 N GLU A 57 10.853 -2.590 -12.637 1.00 21.04 N ATOM 870 CA GLU A 57 10.503 -1.187 -12.446 1.00 24.32 C ATOM 871 C GLU A 57 9.462 -1.032 -11.342 1.00 14.43 C ATOM 872 O GLU A 57 9.090 -2.003 -10.683 1.00 71.43 O ATOM 873 CB GLU A 57 9.973 -0.589 -13.750 1.00 43.15 C ATOM 874 CG GLU A 57 8.740 -1.296 -14.287 1.00 52.52 C ATOM 875 CD GLU A 57 8.562 -1.105 -15.781 1.00 11.30 C ATOM 876 OE1 GLU A 57 9.396 -1.627 -16.550 1.00 15.01 O ATOM 877 OE2 GLU A 57 7.588 -0.433 -16.181 1.00 11.34 O ATOM 0 H GLU A 57 10.060 -3.200 -12.836 1.00 21.04 H new ATOM 0 HA GLU A 57 11.404 -0.651 -12.149 1.00 24.32 H new ATOM 0 HB2 GLU A 57 9.737 0.463 -13.588 1.00 43.15 H new ATOM 0 HB3 GLU A 57 10.760 -0.626 -14.503 1.00 43.15 H new ATOM 0 HG2 GLU A 57 8.812 -2.361 -14.067 1.00 52.52 H new ATOM 0 HG3 GLU A 57 7.857 -0.922 -13.769 1.00 52.52 H new ATOM 884 N ILE A 58 8.996 0.197 -11.145 1.00 54.13 N ATOM 885 CA ILE A 58 7.997 0.480 -10.122 1.00 51.31 C ATOM 886 C ILE A 58 6.646 0.809 -10.748 1.00 70.04 C ATOM 887 O ILE A 58 6.555 1.640 -11.652 1.00 20.15 O ATOM 888 CB ILE A 58 8.431 1.651 -9.221 1.00 12.42 C ATOM 889 CG1 ILE A 58 9.156 2.717 -10.046 1.00 21.35 C ATOM 890 CG2 ILE A 58 9.320 1.150 -8.093 1.00 3.41 C ATOM 891 CD1 ILE A 58 10.646 2.481 -10.161 1.00 32.01 C ATOM 0 H ILE A 58 9.294 1.012 -11.680 1.00 54.13 H new ATOM 0 HA ILE A 58 7.903 -0.420 -9.515 1.00 51.31 H new ATOM 0 HB ILE A 58 7.541 2.102 -8.782 1.00 12.42 H new ATOM 0 HG12 ILE A 58 8.723 2.748 -11.046 1.00 21.35 H new ATOM 0 HG13 ILE A 58 8.985 3.694 -9.594 1.00 21.35 H new ATOM 0 HG21 ILE A 58 9.619 1.989 -7.465 1.00 3.41 H new ATOM 0 HG22 ILE A 58 8.772 0.424 -7.492 1.00 3.41 H new ATOM 0 HG23 ILE A 58 10.208 0.677 -8.512 1.00 3.41 H new ATOM 0 HD11 ILE A 58 11.095 3.274 -10.759 1.00 32.01 H new ATOM 0 HD12 ILE A 58 11.092 2.479 -9.166 1.00 32.01 H new ATOM 0 HD13 ILE A 58 10.826 1.519 -10.641 1.00 32.01 H new ATOM 903 N MET A 59 5.598 0.152 -10.261 1.00 45.11 N ATOM 904 CA MET A 59 4.251 0.377 -10.771 1.00 70.04 C ATOM 905 C MET A 59 3.685 1.694 -10.249 1.00 73.34 C ATOM 906 O MET A 59 4.196 2.282 -9.296 1.00 55.33 O ATOM 907 CB MET A 59 3.332 -0.780 -10.374 1.00 4.02 C ATOM 908 CG MET A 59 3.034 -1.739 -11.515 1.00 11.21 C ATOM 909 SD MET A 59 3.110 -3.467 -11.008 1.00 31.43 S ATOM 910 CE MET A 59 1.655 -4.123 -11.822 1.00 25.33 C ATOM 0 H MET A 59 5.656 -0.540 -9.514 1.00 45.11 H new ATOM 0 HA MET A 59 4.305 0.431 -11.858 1.00 70.04 H new ATOM 0 HB2 MET A 59 3.792 -1.334 -9.556 1.00 4.02 H new ATOM 0 HB3 MET A 59 2.393 -0.374 -9.997 1.00 4.02 H new ATOM 0 HG2 MET A 59 2.043 -1.525 -11.915 1.00 11.21 H new ATOM 0 HG3 MET A 59 3.747 -1.570 -12.322 1.00 11.21 H new ATOM 0 HE1 MET A 59 1.564 -5.187 -11.603 1.00 25.33 H new ATOM 0 HE2 MET A 59 0.769 -3.601 -11.460 1.00 25.33 H new ATOM 0 HE3 MET A 59 1.745 -3.981 -12.899 1.00 25.33 H new ATOM 920 N PRO A 60 2.605 2.169 -10.887 1.00 75.41 N ATOM 921 CA PRO A 60 1.946 3.421 -10.504 1.00 32.23 C ATOM 922 C PRO A 60 1.227 3.311 -9.163 1.00 44.12 C ATOM 923 O PRO A 60 0.917 4.320 -8.531 1.00 42.32 O ATOM 924 CB PRO A 60 0.939 3.652 -11.633 1.00 35.11 C ATOM 925 CG PRO A 60 0.662 2.293 -12.177 1.00 54.25 C ATOM 926 CD PRO A 60 1.943 1.519 -12.031 1.00 53.42 C ATOM 0 HA PRO A 60 2.660 4.235 -10.378 1.00 32.23 H new ATOM 0 HB2 PRO A 60 0.029 4.123 -11.262 1.00 35.11 H new ATOM 0 HB3 PRO A 60 1.348 4.310 -12.400 1.00 35.11 H new ATOM 0 HG2 PRO A 60 -0.149 1.812 -11.630 1.00 54.25 H new ATOM 0 HG3 PRO A 60 0.355 2.346 -13.222 1.00 54.25 H new ATOM 0 HD2 PRO A 60 1.755 0.463 -11.839 1.00 53.42 H new ATOM 0 HD3 PRO A 60 2.552 1.576 -12.933 1.00 53.42 H new ATOM 934 N GLU A 61 0.967 2.080 -8.736 1.00 34.43 N ATOM 935 CA GLU A 61 0.284 1.840 -7.470 1.00 21.24 C ATOM 936 C GLU A 61 1.279 1.810 -6.313 1.00 35.14 C ATOM 937 O GLU A 61 0.902 1.973 -5.152 1.00 12.11 O ATOM 938 CB GLU A 61 -0.491 0.522 -7.524 1.00 72.24 C ATOM 939 CG GLU A 61 0.388 -0.708 -7.375 1.00 21.35 C ATOM 940 CD GLU A 61 -0.262 -1.961 -7.929 1.00 31.13 C ATOM 941 OE1 GLU A 61 -1.448 -1.894 -8.315 1.00 23.05 O ATOM 942 OE2 GLU A 61 0.416 -3.009 -7.976 1.00 51.05 O ATOM 0 H GLU A 61 1.218 1.234 -9.247 1.00 34.43 H new ATOM 0 HA GLU A 61 -0.417 2.658 -7.304 1.00 21.24 H new ATOM 0 HB2 GLU A 61 -1.242 0.519 -6.734 1.00 72.24 H new ATOM 0 HB3 GLU A 61 -1.026 0.463 -8.472 1.00 72.24 H new ATOM 0 HG2 GLU A 61 1.335 -0.537 -7.888 1.00 21.35 H new ATOM 0 HG3 GLU A 61 0.619 -0.859 -6.321 1.00 21.35 H new ATOM 949 N ASP A 62 2.549 1.600 -6.638 1.00 22.31 N ATOM 950 CA ASP A 62 3.599 1.549 -5.627 1.00 31.42 C ATOM 951 C ASP A 62 4.604 2.678 -5.830 1.00 22.04 C ATOM 952 O ASP A 62 4.376 3.592 -6.623 1.00 25.32 O ATOM 953 CB ASP A 62 4.315 0.198 -5.672 1.00 73.30 C ATOM 954 CG ASP A 62 3.404 -0.925 -6.128 1.00 32.21 C ATOM 955 OD1 ASP A 62 2.600 -1.410 -5.303 1.00 44.33 O ATOM 956 OD2 ASP A 62 3.494 -1.319 -7.309 1.00 53.24 O ATOM 0 H ASP A 62 2.877 1.462 -7.594 1.00 22.31 H new ATOM 0 HA ASP A 62 3.134 1.672 -4.649 1.00 31.42 H new ATOM 0 HB2 ASP A 62 5.169 0.265 -6.346 1.00 73.30 H new ATOM 0 HB3 ASP A 62 4.707 -0.035 -4.682 1.00 73.30 H new ATOM 961 N LYS A 63 5.717 2.610 -5.107 1.00 31.44 N ATOM 962 CA LYS A 63 6.758 3.625 -5.206 1.00 42.32 C ATOM 963 C LYS A 63 8.138 3.013 -4.990 1.00 63.33 C ATOM 964 O LYS A 63 8.272 1.799 -4.828 1.00 44.24 O ATOM 965 CB LYS A 63 6.516 4.736 -4.182 1.00 34.03 C ATOM 966 CG LYS A 63 5.328 4.475 -3.271 1.00 25.30 C ATOM 967 CD LYS A 63 4.960 5.710 -2.467 1.00 11.21 C ATOM 968 CE LYS A 63 5.700 5.752 -1.139 1.00 11.13 C ATOM 969 NZ LYS A 63 5.442 7.019 -0.400 1.00 3.20 N ATOM 0 H LYS A 63 5.921 1.861 -4.445 1.00 31.44 H new ATOM 0 HA LYS A 63 6.721 4.049 -6.209 1.00 42.32 H new ATOM 0 HB2 LYS A 63 7.411 4.858 -3.572 1.00 34.03 H new ATOM 0 HB3 LYS A 63 6.359 5.677 -4.709 1.00 34.03 H new ATOM 0 HG2 LYS A 63 4.472 4.161 -3.869 1.00 25.30 H new ATOM 0 HG3 LYS A 63 5.562 3.655 -2.593 1.00 25.30 H new ATOM 0 HD2 LYS A 63 5.195 6.604 -3.044 1.00 11.21 H new ATOM 0 HD3 LYS A 63 3.885 5.721 -2.286 1.00 11.21 H new ATOM 0 HE2 LYS A 63 5.393 4.905 -0.525 1.00 11.13 H new ATOM 0 HE3 LYS A 63 6.770 5.646 -1.316 1.00 11.13 H new ATOM 0 HZ1 LYS A 63 5.964 7.009 0.499 1.00 3.20 H new ATOM 0 HZ2 LYS A 63 5.758 7.826 -0.974 1.00 3.20 H new ATOM 0 HZ3 LYS A 63 4.424 7.108 -0.208 1.00 3.20 H new ATOM 983 N THR A 64 9.163 3.860 -4.987 1.00 61.44 N ATOM 984 CA THR A 64 10.533 3.402 -4.791 1.00 34.41 C ATOM 985 C THR A 64 11.155 4.042 -3.555 1.00 75.21 C ATOM 986 O THR A 64 11.132 5.263 -3.398 1.00 33.41 O ATOM 987 CB THR A 64 11.412 3.717 -6.016 1.00 34.21 C ATOM 988 OG1 THR A 64 11.674 2.517 -6.753 1.00 12.25 O ATOM 989 CG2 THR A 64 12.726 4.354 -5.590 1.00 32.55 C ATOM 0 H THR A 64 9.070 4.867 -5.118 1.00 61.44 H new ATOM 0 HA THR A 64 10.488 2.322 -4.654 1.00 34.41 H new ATOM 0 HB THR A 64 10.874 4.422 -6.650 1.00 34.21 H new ATOM 0 HG1 THR A 64 12.089 1.854 -6.162 1.00 12.25 H new ATOM 0 HG21 THR A 64 13.330 4.567 -6.472 1.00 32.55 H new ATOM 0 HG22 THR A 64 12.524 5.282 -5.055 1.00 32.55 H new ATOM 0 HG23 THR A 64 13.267 3.670 -4.937 1.00 32.55 H new ATOM 997 N VAL A 65 11.711 3.210 -2.680 1.00 12.31 N ATOM 998 CA VAL A 65 12.341 3.696 -1.458 1.00 62.21 C ATOM 999 C VAL A 65 13.395 4.754 -1.766 1.00 73.23 C ATOM 1000 O VAL A 65 13.448 5.799 -1.119 1.00 62.30 O ATOM 1001 CB VAL A 65 12.998 2.547 -0.671 1.00 24.32 C ATOM 1002 CG1 VAL A 65 13.109 2.904 0.804 1.00 51.24 C ATOM 1003 CG2 VAL A 65 12.214 1.257 -0.858 1.00 24.43 C ATOM 0 H VAL A 65 11.738 2.197 -2.795 1.00 12.31 H new ATOM 0 HA VAL A 65 11.552 4.139 -0.850 1.00 62.21 H new ATOM 0 HB VAL A 65 14.005 2.393 -1.059 1.00 24.32 H new ATOM 0 HG11 VAL A 65 13.576 2.080 1.344 1.00 51.24 H new ATOM 0 HG12 VAL A 65 13.717 3.802 0.916 1.00 51.24 H new ATOM 0 HG13 VAL A 65 12.114 3.086 1.210 1.00 51.24 H new ATOM 0 HG21 VAL A 65 12.692 0.456 -0.295 1.00 24.43 H new ATOM 0 HG22 VAL A 65 11.195 1.395 -0.498 1.00 24.43 H new ATOM 0 HG23 VAL A 65 12.192 0.994 -1.916 1.00 24.43 H new ATOM 1013 N GLY A 66 14.232 4.475 -2.761 1.00 1.41 N ATOM 1014 CA GLY A 66 15.273 5.413 -3.138 1.00 43.14 C ATOM 1015 C GLY A 66 16.442 4.736 -3.827 1.00 31.25 C ATOM 1016 O GLY A 66 16.342 3.582 -4.244 1.00 21.23 O ATOM 0 H GLY A 66 14.208 3.617 -3.312 1.00 1.41 H new ATOM 0 HA2 GLY A 66 14.853 6.170 -3.801 1.00 43.14 H new ATOM 0 HA3 GLY A 66 15.630 5.931 -2.248 1.00 43.14 H new ATOM 1020 N PHE A 67 17.553 5.455 -3.947 1.00 70.23 N ATOM 1021 CA PHE A 67 18.745 4.917 -4.592 1.00 41.14 C ATOM 1022 C PHE A 67 19.963 5.050 -3.682 1.00 74.52 C ATOM 1023 O PHE A 67 20.144 6.067 -3.014 1.00 5.22 O ATOM 1024 CB PHE A 67 19.004 5.639 -5.917 1.00 35.42 C ATOM 1025 CG PHE A 67 17.780 5.768 -6.778 1.00 33.51 C ATOM 1026 CD1 PHE A 67 16.952 4.678 -6.996 1.00 14.24 C ATOM 1027 CD2 PHE A 67 17.458 6.978 -7.370 1.00 54.11 C ATOM 1028 CE1 PHE A 67 15.824 4.793 -7.787 1.00 44.52 C ATOM 1029 CE2 PHE A 67 16.332 7.099 -8.162 1.00 54.52 C ATOM 1030 CZ PHE A 67 15.515 6.006 -8.372 1.00 73.31 C ATOM 0 H PHE A 67 17.653 6.411 -3.606 1.00 70.23 H new ATOM 0 HA PHE A 67 18.574 3.859 -4.790 1.00 41.14 H new ATOM 0 HB2 PHE A 67 19.398 6.634 -5.709 1.00 35.42 H new ATOM 0 HB3 PHE A 67 19.773 5.101 -6.471 1.00 35.42 H new ATOM 0 HD1 PHE A 67 17.191 3.727 -6.542 1.00 14.24 H new ATOM 0 HD2 PHE A 67 18.094 7.836 -7.211 1.00 54.11 H new ATOM 0 HE1 PHE A 67 15.186 3.937 -7.947 1.00 44.52 H new ATOM 0 HE2 PHE A 67 16.091 8.049 -8.617 1.00 54.52 H new ATOM 0 HZ PHE A 67 14.636 6.099 -8.992 1.00 73.31 H new ATOM 1040 N VAL A 68 20.794 4.013 -3.661 1.00 61.55 N ATOM 1041 CA VAL A 68 21.995 4.012 -2.834 1.00 72.14 C ATOM 1042 C VAL A 68 23.253 3.938 -3.692 1.00 51.22 C ATOM 1043 O VAL A 68 23.358 3.102 -4.590 1.00 35.14 O ATOM 1044 CB VAL A 68 21.993 2.833 -1.843 1.00 51.01 C ATOM 1045 CG1 VAL A 68 23.348 2.704 -1.164 1.00 32.10 C ATOM 1046 CG2 VAL A 68 20.886 3.005 -0.814 1.00 73.41 C ATOM 0 H VAL A 68 20.658 3.163 -4.207 1.00 61.55 H new ATOM 0 HA VAL A 68 21.995 4.947 -2.274 1.00 72.14 H new ATOM 0 HB VAL A 68 21.803 1.914 -2.398 1.00 51.01 H new ATOM 0 HG11 VAL A 68 23.328 1.866 -0.467 1.00 32.10 H new ATOM 0 HG12 VAL A 68 24.117 2.532 -1.917 1.00 32.10 H new ATOM 0 HG13 VAL A 68 23.571 3.622 -0.621 1.00 32.10 H new ATOM 0 HG21 VAL A 68 20.899 2.163 -0.122 1.00 73.41 H new ATOM 0 HG22 VAL A 68 21.043 3.932 -0.262 1.00 73.41 H new ATOM 0 HG23 VAL A 68 19.921 3.044 -1.320 1.00 73.41 H new ATOM 1056 N VAL A 69 24.207 4.819 -3.410 1.00 45.20 N ATOM 1057 CA VAL A 69 25.461 4.854 -4.155 1.00 34.54 C ATOM 1058 C VAL A 69 26.619 4.345 -3.304 1.00 43.41 C ATOM 1059 O VAL A 69 26.925 4.907 -2.252 1.00 54.31 O ATOM 1060 CB VAL A 69 25.784 6.278 -4.644 1.00 74.34 C ATOM 1061 CG1 VAL A 69 27.093 6.292 -5.418 1.00 2.31 C ATOM 1062 CG2 VAL A 69 24.645 6.818 -5.497 1.00 4.54 C ATOM 0 H VAL A 69 24.136 5.518 -2.671 1.00 45.20 H new ATOM 0 HA VAL A 69 25.335 4.202 -5.019 1.00 34.54 H new ATOM 0 HB VAL A 69 25.897 6.926 -3.775 1.00 74.34 H new ATOM 0 HG11 VAL A 69 27.305 7.306 -5.756 1.00 2.31 H new ATOM 0 HG12 VAL A 69 27.901 5.948 -4.772 1.00 2.31 H new ATOM 0 HG13 VAL A 69 27.012 5.632 -6.281 1.00 2.31 H new ATOM 0 HG21 VAL A 69 24.889 7.825 -5.835 1.00 4.54 H new ATOM 0 HG22 VAL A 69 24.500 6.171 -6.362 1.00 4.54 H new ATOM 0 HG23 VAL A 69 23.729 6.845 -4.906 1.00 4.54 H new ATOM 1072 N VAL A 70 27.262 3.278 -3.767 1.00 5.20 N ATOM 1073 CA VAL A 70 28.390 2.694 -3.050 1.00 14.22 C ATOM 1074 C VAL A 70 29.623 2.608 -3.941 1.00 43.34 C ATOM 1075 O VAL A 70 29.631 1.889 -4.940 1.00 2.44 O ATOM 1076 CB VAL A 70 28.051 1.287 -2.523 1.00 64.11 C ATOM 1077 CG1 VAL A 70 29.303 0.596 -2.002 1.00 53.45 C ATOM 1078 CG2 VAL A 70 26.986 1.366 -1.440 1.00 21.31 C ATOM 0 H VAL A 70 27.021 2.800 -4.635 1.00 5.20 H new ATOM 0 HA VAL A 70 28.602 3.349 -2.205 1.00 14.22 H new ATOM 0 HB VAL A 70 27.654 0.695 -3.348 1.00 64.11 H new ATOM 0 HG11 VAL A 70 29.044 -0.397 -1.634 1.00 53.45 H new ATOM 0 HG12 VAL A 70 30.031 0.506 -2.808 1.00 53.45 H new ATOM 0 HG13 VAL A 70 29.732 1.184 -1.190 1.00 53.45 H new ATOM 0 HG21 VAL A 70 26.759 0.363 -1.079 1.00 21.31 H new ATOM 0 HG22 VAL A 70 27.352 1.975 -0.613 1.00 21.31 H new ATOM 0 HG23 VAL A 70 26.083 1.817 -1.850 1.00 21.31 H new ATOM 1088 N ASN A 71 30.665 3.347 -3.573 1.00 63.42 N ATOM 1089 CA ASN A 71 31.906 3.354 -4.340 1.00 12.01 C ATOM 1090 C ASN A 71 33.082 2.910 -3.476 1.00 2.43 C ATOM 1091 O ASN A 71 33.504 3.627 -2.568 1.00 73.22 O ATOM 1092 CB ASN A 71 32.172 4.751 -4.905 1.00 71.33 C ATOM 1093 CG ASN A 71 30.997 5.285 -5.702 1.00 4.43 C ATOM 1094 OD1 ASN A 71 30.685 4.783 -6.781 1.00 35.50 O ATOM 1095 ND2 ASN A 71 30.341 6.311 -5.171 1.00 60.24 N ATOM 0 H ASN A 71 30.675 3.948 -2.749 1.00 63.42 H new ATOM 0 HA ASN A 71 31.799 2.650 -5.165 1.00 12.01 H new ATOM 0 HB2 ASN A 71 32.393 5.435 -4.086 1.00 71.33 H new ATOM 0 HB3 ASN A 71 33.056 4.720 -5.542 1.00 71.33 H new ATOM 0 HD21 ASN A 71 29.543 6.715 -5.661 1.00 60.24 H new ATOM 0 HD22 ASN A 71 30.636 6.695 -4.273 1.00 60.24 H new ATOM 1102 N ALA A 72 33.608 1.725 -3.765 1.00 31.40 N ATOM 1103 CA ALA A 72 34.737 1.186 -3.017 1.00 1.44 C ATOM 1104 C ALA A 72 36.014 1.965 -3.314 1.00 10.20 C ATOM 1105 O ALA A 72 36.854 2.158 -2.435 1.00 20.42 O ATOM 1106 CB ALA A 72 34.929 -0.288 -3.338 1.00 72.25 C ATOM 0 H ALA A 72 33.270 1.119 -4.513 1.00 31.40 H new ATOM 0 HA ALA A 72 34.518 1.289 -1.954 1.00 1.44 H new ATOM 0 HB1 ALA A 72 35.776 -0.676 -2.772 1.00 72.25 H new ATOM 0 HB2 ALA A 72 34.028 -0.839 -3.068 1.00 72.25 H new ATOM 0 HB3 ALA A 72 35.121 -0.406 -4.404 1.00 72.25 H new ATOM 1112 N ASP A 73 36.154 2.410 -4.558 1.00 12.02 N ATOM 1113 CA ASP A 73 37.329 3.168 -4.971 1.00 51.51 C ATOM 1114 C ASP A 73 37.465 4.449 -4.153 1.00 35.11 C ATOM 1115 O ASP A 73 38.571 4.862 -3.805 1.00 51.22 O ATOM 1116 CB ASP A 73 37.246 3.506 -6.460 1.00 43.54 C ATOM 1117 CG ASP A 73 38.063 4.731 -6.822 1.00 45.04 C ATOM 1118 OD1 ASP A 73 39.240 4.803 -6.409 1.00 11.21 O ATOM 1119 OD2 ASP A 73 37.527 5.617 -7.520 1.00 30.12 O ATOM 0 H ASP A 73 35.468 2.259 -5.298 1.00 12.02 H new ATOM 0 HA ASP A 73 38.210 2.550 -4.795 1.00 51.51 H new ATOM 0 HB2 ASP A 73 37.596 2.654 -7.043 1.00 43.54 H new ATOM 0 HB3 ASP A 73 36.204 3.674 -6.734 1.00 43.54 H new ATOM 1124 N LYS A 74 36.332 5.074 -3.849 1.00 71.34 N ATOM 1125 CA LYS A 74 36.323 6.307 -3.072 1.00 54.32 C ATOM 1126 C LYS A 74 36.126 6.014 -1.588 1.00 61.03 C ATOM 1127 O LYS A 74 36.305 6.890 -0.742 1.00 40.53 O ATOM 1128 CB LYS A 74 35.215 7.239 -3.570 1.00 5.44 C ATOM 1129 CG LYS A 74 35.505 7.858 -4.926 1.00 61.03 C ATOM 1130 CD LYS A 74 36.606 8.902 -4.840 1.00 22.52 C ATOM 1131 CE LYS A 74 36.055 10.262 -4.440 1.00 31.40 C ATOM 1132 NZ LYS A 74 37.142 11.234 -4.138 1.00 31.43 N ATOM 0 H LYS A 74 35.408 4.746 -4.129 1.00 71.34 H new ATOM 0 HA LYS A 74 37.288 6.796 -3.202 1.00 54.32 H new ATOM 0 HB2 LYS A 74 34.281 6.681 -3.627 1.00 5.44 H new ATOM 0 HB3 LYS A 74 35.066 8.035 -2.841 1.00 5.44 H new ATOM 0 HG2 LYS A 74 35.797 7.077 -5.628 1.00 61.03 H new ATOM 0 HG3 LYS A 74 34.598 8.317 -5.319 1.00 61.03 H new ATOM 0 HD2 LYS A 74 37.355 8.584 -4.114 1.00 22.52 H new ATOM 0 HD3 LYS A 74 37.110 8.981 -5.803 1.00 22.52 H new ATOM 0 HE2 LYS A 74 35.432 10.652 -5.245 1.00 31.40 H new ATOM 0 HE3 LYS A 74 35.414 10.151 -3.566 1.00 31.40 H new ATOM 0 HZ1 LYS A 74 36.725 12.148 -3.870 1.00 31.43 H new ATOM 0 HZ2 LYS A 74 37.722 10.874 -3.353 1.00 31.43 H new ATOM 0 HZ3 LYS A 74 37.739 11.360 -4.980 1.00 31.43 H new ATOM 1146 N LYS A 75 35.758 4.775 -1.278 1.00 43.43 N ATOM 1147 CA LYS A 75 35.540 4.365 0.104 1.00 61.44 C ATOM 1148 C LYS A 75 34.424 5.184 0.745 1.00 64.51 C ATOM 1149 O LYS A 75 34.520 5.579 1.907 1.00 3.34 O ATOM 1150 CB LYS A 75 36.830 4.519 0.913 1.00 71.43 C ATOM 1151 CG LYS A 75 37.784 3.346 0.766 1.00 35.53 C ATOM 1152 CD LYS A 75 39.204 3.732 1.141 1.00 65.10 C ATOM 1153 CE LYS A 75 39.951 4.327 -0.043 1.00 60.32 C ATOM 1154 NZ LYS A 75 40.257 3.301 -1.078 1.00 24.50 N ATOM 0 H LYS A 75 35.605 4.037 -1.966 1.00 43.43 H new ATOM 0 HA LYS A 75 35.242 3.316 0.103 1.00 61.44 H new ATOM 0 HB2 LYS A 75 37.338 5.431 0.600 1.00 71.43 H new ATOM 0 HB3 LYS A 75 36.576 4.640 1.966 1.00 71.43 H new ATOM 0 HG2 LYS A 75 37.451 2.523 1.398 1.00 35.53 H new ATOM 0 HG3 LYS A 75 37.763 2.986 -0.263 1.00 35.53 H new ATOM 0 HD2 LYS A 75 39.182 4.453 1.958 1.00 65.10 H new ATOM 0 HD3 LYS A 75 39.737 2.854 1.505 1.00 65.10 H new ATOM 0 HE2 LYS A 75 39.353 5.123 -0.487 1.00 60.32 H new ATOM 0 HE3 LYS A 75 40.879 4.781 0.304 1.00 60.32 H new ATOM 0 HZ1 LYS A 75 41.020 3.646 -1.694 1.00 24.50 H new ATOM 0 HZ2 LYS A 75 40.558 2.420 -0.615 1.00 24.50 H new ATOM 0 HZ3 LYS A 75 39.407 3.119 -1.649 1.00 24.50 H new ATOM 1168 N LEU A 76 33.366 5.433 -0.019 1.00 4.24 N ATOM 1169 CA LEU A 76 32.231 6.204 0.476 1.00 72.01 C ATOM 1170 C LEU A 76 30.914 5.608 -0.012 1.00 42.13 C ATOM 1171 O LEU A 76 30.846 5.038 -1.101 1.00 15.40 O ATOM 1172 CB LEU A 76 32.343 7.661 0.024 1.00 12.24 C ATOM 1173 CG LEU A 76 33.051 7.898 -1.310 1.00 22.11 C ATOM 1174 CD1 LEU A 76 32.182 7.430 -2.466 1.00 74.44 C ATOM 1175 CD2 LEU A 76 33.409 9.368 -1.470 1.00 52.24 C ATOM 0 H LEU A 76 33.270 5.113 -0.983 1.00 4.24 H new ATOM 0 HA LEU A 76 32.245 6.166 1.565 1.00 72.01 H new ATOM 0 HB2 LEU A 76 31.338 8.078 -0.042 1.00 12.24 H new ATOM 0 HB3 LEU A 76 32.870 8.221 0.797 1.00 12.24 H new ATOM 0 HG LEU A 76 33.973 7.317 -1.318 1.00 22.11 H new ATOM 0 HD11 LEU A 76 32.702 7.607 -3.407 1.00 74.44 H new ATOM 0 HD12 LEU A 76 31.977 6.365 -2.359 1.00 74.44 H new ATOM 0 HD13 LEU A 76 31.242 7.982 -2.462 1.00 74.44 H new ATOM 0 HD21 LEU A 76 33.912 9.518 -2.425 1.00 52.24 H new ATOM 0 HD22 LEU A 76 32.500 9.969 -1.440 1.00 52.24 H new ATOM 0 HD23 LEU A 76 34.071 9.671 -0.659 1.00 52.24 H new ATOM 1187 N MET A 77 29.871 5.746 0.800 1.00 62.14 N ATOM 1188 CA MET A 77 28.556 5.224 0.448 1.00 35.02 C ATOM 1189 C MET A 77 27.453 6.165 0.924 1.00 72.44 C ATOM 1190 O MET A 77 27.406 6.540 2.095 1.00 24.21 O ATOM 1191 CB MET A 77 28.355 3.835 1.057 1.00 11.04 C ATOM 1192 CG MET A 77 29.457 2.851 0.702 1.00 63.40 C ATOM 1193 SD MET A 77 29.537 1.455 1.842 1.00 54.55 S ATOM 1194 CE MET A 77 30.060 2.276 3.345 1.00 20.12 C ATOM 0 H MET A 77 29.911 6.214 1.705 1.00 62.14 H new ATOM 0 HA MET A 77 28.501 5.148 -0.638 1.00 35.02 H new ATOM 0 HB2 MET A 77 28.297 3.928 2.142 1.00 11.04 H new ATOM 0 HB3 MET A 77 27.399 3.434 0.720 1.00 11.04 H new ATOM 0 HG2 MET A 77 29.295 2.480 -0.310 1.00 63.40 H new ATOM 0 HG3 MET A 77 30.416 3.370 0.701 1.00 63.40 H new ATOM 0 HE1 MET A 77 30.540 1.554 4.006 1.00 20.12 H new ATOM 0 HE2 MET A 77 30.766 3.069 3.100 1.00 20.12 H new ATOM 0 HE3 MET A 77 29.192 2.705 3.846 1.00 20.12 H new ATOM 1204 N SER A 78 26.567 6.542 0.007 1.00 2.22 N ATOM 1205 CA SER A 78 25.467 7.442 0.332 1.00 2.54 C ATOM 1206 C SER A 78 24.124 6.802 -0.003 1.00 13.00 C ATOM 1207 O SER A 78 23.960 6.192 -1.060 1.00 22.24 O ATOM 1208 CB SER A 78 25.619 8.762 -0.426 1.00 43.40 C ATOM 1209 OG SER A 78 26.980 9.151 -0.505 1.00 54.32 O ATOM 0 H SER A 78 26.590 6.238 -0.966 1.00 2.22 H new ATOM 0 HA SER A 78 25.498 7.641 1.403 1.00 2.54 H new ATOM 0 HB2 SER A 78 25.208 8.658 -1.430 1.00 43.40 H new ATOM 0 HB3 SER A 78 25.043 9.541 0.074 1.00 43.40 H new ATOM 0 HG SER A 78 27.051 9.996 -0.995 1.00 54.32 H new ATOM 1215 N VAL A 79 23.164 6.946 0.905 1.00 34.41 N ATOM 1216 CA VAL A 79 21.833 6.383 0.707 1.00 64.32 C ATOM 1217 C VAL A 79 20.775 7.479 0.658 1.00 73.42 C ATOM 1218 O VAL A 79 20.589 8.220 1.623 1.00 41.35 O ATOM 1219 CB VAL A 79 21.473 5.386 1.824 1.00 23.05 C ATOM 1220 CG1 VAL A 79 20.057 4.864 1.639 1.00 53.12 C ATOM 1221 CG2 VAL A 79 22.473 4.239 1.858 1.00 54.55 C ATOM 0 H VAL A 79 23.283 7.448 1.785 1.00 34.41 H new ATOM 0 HA VAL A 79 21.851 5.856 -0.247 1.00 64.32 H new ATOM 0 HB VAL A 79 21.520 5.907 2.780 1.00 23.05 H new ATOM 0 HG11 VAL A 79 19.821 4.161 2.438 1.00 53.12 H new ATOM 0 HG12 VAL A 79 19.355 5.697 1.670 1.00 53.12 H new ATOM 0 HG13 VAL A 79 19.978 4.359 0.676 1.00 53.12 H new ATOM 0 HG21 VAL A 79 22.203 3.544 2.653 1.00 54.55 H new ATOM 0 HG22 VAL A 79 22.461 3.717 0.901 1.00 54.55 H new ATOM 0 HG23 VAL A 79 23.472 4.633 2.044 1.00 54.55 H new ATOM 1231 N SER A 80 20.082 7.575 -0.473 1.00 21.43 N ATOM 1232 CA SER A 80 19.043 8.583 -0.649 1.00 62.54 C ATOM 1233 C SER A 80 17.674 7.929 -0.809 1.00 51.01 C ATOM 1234 O SER A 80 17.446 7.158 -1.742 1.00 1.14 O ATOM 1235 CB SER A 80 19.350 9.454 -1.869 1.00 25.22 C ATOM 1236 OG SER A 80 18.794 10.749 -1.724 1.00 34.32 O ATOM 0 H SER A 80 20.221 6.967 -1.280 1.00 21.43 H new ATOM 0 HA SER A 80 19.025 9.211 0.242 1.00 62.54 H new ATOM 0 HB2 SER A 80 20.429 9.531 -2.002 1.00 25.22 H new ATOM 0 HB3 SER A 80 18.951 8.982 -2.767 1.00 25.22 H new ATOM 0 HG SER A 80 19.006 11.286 -2.516 1.00 34.32 H new ATOM 1242 N PHE A 81 16.765 8.243 0.108 1.00 31.00 N ATOM 1243 CA PHE A 81 15.418 7.686 0.071 1.00 55.30 C ATOM 1244 C PHE A 81 14.376 8.763 0.361 1.00 1.15 C ATOM 1245 O PHE A 81 14.674 9.774 0.997 1.00 14.14 O ATOM 1246 CB PHE A 81 15.286 6.547 1.083 1.00 34.25 C ATOM 1247 CG PHE A 81 15.897 6.858 2.420 1.00 41.35 C ATOM 1248 CD1 PHE A 81 15.372 7.860 3.220 1.00 31.11 C ATOM 1249 CD2 PHE A 81 16.997 6.149 2.875 1.00 12.21 C ATOM 1250 CE1 PHE A 81 15.933 8.149 4.449 1.00 23.14 C ATOM 1251 CE2 PHE A 81 17.562 6.433 4.104 1.00 43.50 C ATOM 1252 CZ PHE A 81 17.029 7.434 4.893 1.00 40.05 C ATOM 0 H PHE A 81 16.937 8.880 0.886 1.00 31.00 H new ATOM 0 HA PHE A 81 15.241 7.294 -0.931 1.00 55.30 H new ATOM 0 HB2 PHE A 81 14.230 6.315 1.220 1.00 34.25 H new ATOM 0 HB3 PHE A 81 15.759 5.653 0.676 1.00 34.25 H new ATOM 0 HD1 PHE A 81 14.515 8.421 2.879 1.00 31.11 H new ATOM 0 HD2 PHE A 81 17.418 5.365 2.262 1.00 12.21 H new ATOM 0 HE1 PHE A 81 15.515 8.933 5.063 1.00 23.14 H new ATOM 0 HE2 PHE A 81 18.419 5.873 4.447 1.00 43.50 H new ATOM 0 HZ PHE A 81 17.468 7.657 5.854 1.00 40.05 H new ATOM 1262 N SER A 82 13.154 8.538 -0.110 1.00 12.11 N ATOM 1263 CA SER A 82 12.068 9.490 0.095 1.00 44.22 C ATOM 1264 C SER A 82 11.196 9.074 1.275 1.00 20.12 C ATOM 1265 O SER A 82 11.358 7.985 1.827 1.00 15.42 O ATOM 1266 CB SER A 82 11.215 9.603 -1.170 1.00 60.40 C ATOM 1267 OG SER A 82 10.429 10.781 -1.152 1.00 12.44 O ATOM 0 H SER A 82 12.891 7.705 -0.636 1.00 12.11 H new ATOM 0 HA SER A 82 12.508 10.463 0.316 1.00 44.22 H new ATOM 0 HB2 SER A 82 11.860 9.606 -2.048 1.00 60.40 H new ATOM 0 HB3 SER A 82 10.567 8.731 -1.254 1.00 60.40 H new ATOM 0 HG SER A 82 9.895 10.830 -1.972 1.00 12.44 H new ATOM 1273 N ASP A 83 10.272 9.948 1.657 1.00 54.34 N ATOM 1274 CA ASP A 83 9.372 9.673 2.771 1.00 71.22 C ATOM 1275 C ASP A 83 9.103 8.176 2.895 1.00 42.21 C ATOM 1276 O ASP A 83 8.273 7.623 2.173 1.00 21.00 O ATOM 1277 CB ASP A 83 8.054 10.427 2.588 1.00 32.23 C ATOM 1278 CG ASP A 83 8.264 11.906 2.330 1.00 71.25 C ATOM 1279 OD1 ASP A 83 9.067 12.526 3.056 1.00 3.53 O ATOM 1280 OD2 ASP A 83 7.624 12.443 1.401 1.00 63.33 O ATOM 0 H ASP A 83 10.126 10.854 1.211 1.00 54.34 H new ATOM 0 HA ASP A 83 9.853 10.015 3.687 1.00 71.22 H new ATOM 0 HB2 ASP A 83 7.502 9.991 1.756 1.00 32.23 H new ATOM 0 HB3 ASP A 83 7.440 10.300 3.479 1.00 32.23 H new ATOM 1285 N ILE A 84 9.811 7.527 3.813 1.00 1.42 N ATOM 1286 CA ILE A 84 9.649 6.095 4.031 1.00 14.42 C ATOM 1287 C ILE A 84 9.317 5.795 5.489 1.00 3.42 C ATOM 1288 O ILE A 84 9.654 6.570 6.385 1.00 24.31 O ATOM 1289 CB ILE A 84 10.918 5.318 3.634 1.00 35.04 C ATOM 1290 CG1 ILE A 84 12.157 5.977 4.243 1.00 41.45 C ATOM 1291 CG2 ILE A 84 11.040 5.242 2.120 1.00 43.21 C ATOM 1292 CD1 ILE A 84 13.262 4.998 4.573 1.00 14.23 C ATOM 0 H ILE A 84 10.502 7.970 4.418 1.00 1.42 H new ATOM 0 HA ILE A 84 8.822 5.771 3.399 1.00 14.42 H new ATOM 0 HB ILE A 84 10.842 4.303 4.023 1.00 35.04 H new ATOM 0 HG12 ILE A 84 12.540 6.724 3.548 1.00 41.45 H new ATOM 0 HG13 ILE A 84 11.868 6.506 5.151 1.00 41.45 H new ATOM 0 HG21 ILE A 84 11.942 4.690 1.855 1.00 43.21 H new ATOM 0 HG22 ILE A 84 10.168 4.732 1.710 1.00 43.21 H new ATOM 0 HG23 ILE A 84 11.097 6.250 1.709 1.00 43.21 H new ATOM 0 HD11 ILE A 84 14.108 5.535 5.001 1.00 14.23 H new ATOM 0 HD12 ILE A 84 12.896 4.265 5.292 1.00 14.23 H new ATOM 0 HD13 ILE A 84 13.579 4.487 3.664 1.00 14.23 H new ATOM 1304 N ASP A 85 8.657 4.666 5.720 1.00 53.24 N ATOM 1305 CA ASP A 85 8.282 4.261 7.070 1.00 50.44 C ATOM 1306 C ASP A 85 9.519 3.965 7.911 1.00 3.12 C ATOM 1307 O ASP A 85 10.584 3.655 7.378 1.00 71.31 O ATOM 1308 CB ASP A 85 7.375 3.031 7.023 1.00 61.33 C ATOM 1309 CG ASP A 85 6.067 3.302 6.305 1.00 3.25 C ATOM 1310 OD1 ASP A 85 5.659 4.481 6.241 1.00 44.04 O ATOM 1311 OD2 ASP A 85 5.452 2.336 5.808 1.00 1.13 O ATOM 0 H ASP A 85 8.370 4.014 4.990 1.00 53.24 H new ATOM 0 HA ASP A 85 7.739 5.085 7.533 1.00 50.44 H new ATOM 0 HB2 ASP A 85 7.898 2.216 6.523 1.00 61.33 H new ATOM 0 HB3 ASP A 85 7.166 2.699 8.040 1.00 61.33 H new ATOM 1316 N GLU A 86 9.371 4.064 9.229 1.00 54.35 N ATOM 1317 CA GLU A 86 10.477 3.809 10.143 1.00 62.41 C ATOM 1318 C GLU A 86 10.852 2.329 10.144 1.00 55.22 C ATOM 1319 O GLU A 86 11.997 1.968 10.411 1.00 51.34 O ATOM 1320 CB GLU A 86 10.110 4.254 11.560 1.00 23.01 C ATOM 1321 CG GLU A 86 8.841 3.609 12.091 1.00 11.52 C ATOM 1322 CD GLU A 86 8.564 3.971 13.537 1.00 10.34 C ATOM 1323 OE1 GLU A 86 9.402 4.671 14.144 1.00 12.21 O ATOM 1324 OE2 GLU A 86 7.511 3.555 14.063 1.00 75.34 O ATOM 0 H GLU A 86 8.496 4.319 9.687 1.00 54.35 H new ATOM 0 HA GLU A 86 11.337 4.384 9.801 1.00 62.41 H new ATOM 0 HB2 GLU A 86 10.936 4.018 12.231 1.00 23.01 H new ATOM 0 HB3 GLU A 86 9.989 5.337 11.572 1.00 23.01 H new ATOM 0 HG2 GLU A 86 7.996 3.917 11.475 1.00 11.52 H new ATOM 0 HG3 GLU A 86 8.923 2.526 12.001 1.00 11.52 H new ATOM 1331 N ASN A 87 9.876 1.478 9.844 1.00 70.12 N ATOM 1332 CA ASN A 87 10.102 0.037 9.811 1.00 52.50 C ATOM 1333 C ASN A 87 11.170 -0.322 8.783 1.00 23.30 C ATOM 1334 O ASN A 87 12.110 -1.058 9.082 1.00 44.02 O ATOM 1335 CB ASN A 87 8.799 -0.697 9.487 1.00 1.24 C ATOM 1336 CG ASN A 87 7.957 -0.951 10.722 1.00 33.35 C ATOM 1337 OD1 ASN A 87 8.484 -1.175 11.812 1.00 4.41 O ATOM 1338 ND2 ASN A 87 6.640 -0.919 10.557 1.00 15.10 N ATOM 0 H ASN A 87 8.922 1.761 9.620 1.00 70.12 H new ATOM 0 HA ASN A 87 10.451 -0.274 10.796 1.00 52.50 H new ATOM 0 HB2 ASN A 87 8.223 -0.110 8.772 1.00 1.24 H new ATOM 0 HB3 ASN A 87 9.030 -1.648 9.006 1.00 1.24 H new ATOM 0 HD21 ASN A 87 6.022 -1.084 11.352 1.00 15.10 H new ATOM 0 HD22 ASN A 87 6.246 -0.730 9.635 1.00 15.10 H new ATOM 1345 N MET A 88 11.018 0.202 7.571 1.00 4.35 N ATOM 1346 CA MET A 88 11.971 -0.062 6.500 1.00 64.13 C ATOM 1347 C MET A 88 13.238 0.768 6.681 1.00 0.23 C ATOM 1348 O MET A 88 14.338 0.320 6.357 1.00 2.35 O ATOM 1349 CB MET A 88 11.339 0.241 5.140 1.00 43.31 C ATOM 1350 CG MET A 88 10.771 1.647 5.034 1.00 14.02 C ATOM 1351 SD MET A 88 9.301 1.725 3.993 1.00 52.12 S ATOM 1352 CE MET A 88 9.748 0.580 2.690 1.00 14.00 C ATOM 0 H MET A 88 10.244 0.812 7.306 1.00 4.35 H new ATOM 0 HA MET A 88 12.241 -1.117 6.541 1.00 64.13 H new ATOM 0 HB2 MET A 88 12.088 0.101 4.361 1.00 43.31 H new ATOM 0 HB3 MET A 88 10.543 -0.479 4.950 1.00 43.31 H new ATOM 0 HG2 MET A 88 10.525 2.012 6.031 1.00 14.02 H new ATOM 0 HG3 MET A 88 11.533 2.313 4.630 1.00 14.02 H new ATOM 0 HE1 MET A 88 8.929 0.506 1.974 1.00 14.00 H new ATOM 0 HE2 MET A 88 10.643 0.939 2.182 1.00 14.00 H new ATOM 0 HE3 MET A 88 9.944 -0.402 3.120 1.00 14.00 H new ATOM 1362 N LYS A 89 13.076 1.980 7.201 1.00 41.42 N ATOM 1363 CA LYS A 89 14.206 2.874 7.427 1.00 60.33 C ATOM 1364 C LYS A 89 15.289 2.184 8.250 1.00 30.20 C ATOM 1365 O LYS A 89 16.481 2.365 8.003 1.00 5.54 O ATOM 1366 CB LYS A 89 13.742 4.146 8.139 1.00 41.30 C ATOM 1367 CG LYS A 89 14.754 5.277 8.084 1.00 3.43 C ATOM 1368 CD LYS A 89 15.640 5.293 9.319 1.00 51.41 C ATOM 1369 CE LYS A 89 16.204 6.681 9.582 1.00 45.11 C ATOM 1370 NZ LYS A 89 15.244 7.538 10.330 1.00 11.05 N ATOM 0 H LYS A 89 12.172 2.366 7.474 1.00 41.42 H new ATOM 0 HA LYS A 89 14.626 3.141 6.457 1.00 60.33 H new ATOM 0 HB2 LYS A 89 12.808 4.483 7.690 1.00 41.30 H new ATOM 0 HB3 LYS A 89 13.528 3.911 9.182 1.00 41.30 H new ATOM 0 HG2 LYS A 89 15.372 5.170 7.193 1.00 3.43 H new ATOM 0 HG3 LYS A 89 14.232 6.230 7.997 1.00 3.43 H new ATOM 0 HD2 LYS A 89 15.066 4.962 10.184 1.00 51.41 H new ATOM 0 HD3 LYS A 89 16.459 4.585 9.190 1.00 51.41 H new ATOM 0 HE2 LYS A 89 17.131 6.595 10.149 1.00 45.11 H new ATOM 0 HE3 LYS A 89 16.453 7.157 8.634 1.00 45.11 H new ATOM 0 HZ1 LYS A 89 15.666 8.475 10.489 1.00 11.05 H new ATOM 0 HZ2 LYS A 89 14.369 7.642 9.778 1.00 11.05 H new ATOM 0 HZ3 LYS A 89 15.026 7.097 11.246 1.00 11.05 H new ATOM 1384 N LYS A 90 14.866 1.390 9.228 1.00 5.24 N ATOM 1385 CA LYS A 90 15.799 0.670 10.087 1.00 44.01 C ATOM 1386 C LYS A 90 16.702 -0.244 9.264 1.00 52.32 C ATOM 1387 O LYS A 90 17.884 -0.404 9.569 1.00 74.50 O ATOM 1388 CB LYS A 90 15.036 -0.152 11.128 1.00 61.34 C ATOM 1389 CG LYS A 90 14.501 -1.468 10.590 1.00 64.41 C ATOM 1390 CD LYS A 90 15.497 -2.598 10.790 1.00 65.32 C ATOM 1391 CE LYS A 90 15.237 -3.348 12.088 1.00 44.54 C ATOM 1392 NZ LYS A 90 13.982 -4.146 12.025 1.00 11.22 N ATOM 0 H LYS A 90 13.883 1.229 9.446 1.00 5.24 H new ATOM 0 HA LYS A 90 16.423 1.403 10.598 1.00 44.01 H new ATOM 0 HB2 LYS A 90 15.695 -0.355 11.972 1.00 61.34 H new ATOM 0 HB3 LYS A 90 14.204 0.441 11.508 1.00 61.34 H new ATOM 0 HG2 LYS A 90 13.565 -1.714 11.092 1.00 64.41 H new ATOM 0 HG3 LYS A 90 14.276 -1.364 9.529 1.00 64.41 H new ATOM 0 HD2 LYS A 90 15.437 -3.290 9.950 1.00 65.32 H new ATOM 0 HD3 LYS A 90 16.510 -2.195 10.798 1.00 65.32 H new ATOM 0 HE2 LYS A 90 16.077 -4.009 12.300 1.00 44.54 H new ATOM 0 HE3 LYS A 90 15.175 -2.637 12.912 1.00 44.54 H new ATOM 0 HZ1 LYS A 90 14.011 -4.896 12.744 1.00 11.22 H new ATOM 0 HZ2 LYS A 90 13.167 -3.526 12.205 1.00 11.22 H new ATOM 0 HZ3 LYS A 90 13.890 -4.574 11.082 1.00 11.22 H new ATOM 1406 N VAL A 91 16.138 -0.839 8.218 1.00 74.31 N ATOM 1407 CA VAL A 91 16.892 -1.735 7.349 1.00 1.22 C ATOM 1408 C VAL A 91 17.872 -0.958 6.477 1.00 31.01 C ATOM 1409 O VAL A 91 18.983 -1.419 6.212 1.00 13.21 O ATOM 1410 CB VAL A 91 15.957 -2.558 6.444 1.00 71.04 C ATOM 1411 CG1 VAL A 91 14.593 -2.725 7.095 1.00 12.15 C ATOM 1412 CG2 VAL A 91 15.827 -1.903 5.077 1.00 63.13 C ATOM 0 H VAL A 91 15.161 -0.717 7.952 1.00 74.31 H new ATOM 0 HA VAL A 91 17.446 -2.413 7.998 1.00 1.22 H new ATOM 0 HB VAL A 91 16.391 -3.548 6.308 1.00 71.04 H new ATOM 0 HG11 VAL A 91 13.946 -3.309 6.440 1.00 12.15 H new ATOM 0 HG12 VAL A 91 14.706 -3.241 8.048 1.00 12.15 H new ATOM 0 HG13 VAL A 91 14.148 -1.744 7.264 1.00 12.15 H new ATOM 0 HG21 VAL A 91 15.163 -2.498 4.450 1.00 63.13 H new ATOM 0 HG22 VAL A 91 15.416 -0.900 5.192 1.00 63.13 H new ATOM 0 HG23 VAL A 91 16.809 -1.841 4.608 1.00 63.13 H new ATOM 1422 N ILE A 92 17.453 0.223 6.034 1.00 25.31 N ATOM 1423 CA ILE A 92 18.295 1.065 5.193 1.00 62.50 C ATOM 1424 C ILE A 92 19.493 1.597 5.972 1.00 64.52 C ATOM 1425 O ILE A 92 20.632 1.522 5.509 1.00 31.41 O ATOM 1426 CB ILE A 92 17.504 2.253 4.615 1.00 21.12 C ATOM 1427 CG1 ILE A 92 16.098 1.808 4.209 1.00 54.23 C ATOM 1428 CG2 ILE A 92 18.241 2.851 3.426 1.00 14.51 C ATOM 1429 CD1 ILE A 92 15.368 2.820 3.353 1.00 72.42 C ATOM 0 H ILE A 92 16.536 0.618 6.243 1.00 25.31 H new ATOM 0 HA ILE A 92 18.647 0.440 4.372 1.00 62.50 H new ATOM 0 HB ILE A 92 17.414 3.020 5.384 1.00 21.12 H new ATOM 0 HG12 ILE A 92 16.167 0.866 3.665 1.00 54.23 H new ATOM 0 HG13 ILE A 92 15.513 1.615 5.108 1.00 54.23 H new ATOM 0 HG21 ILE A 92 17.670 3.690 3.028 1.00 14.51 H new ATOM 0 HG22 ILE A 92 19.223 3.200 3.745 1.00 14.51 H new ATOM 0 HG23 ILE A 92 18.359 2.093 2.652 1.00 14.51 H new ATOM 0 HD11 ILE A 92 14.378 2.438 3.103 1.00 72.42 H new ATOM 0 HD12 ILE A 92 15.268 3.756 3.902 1.00 72.42 H new ATOM 0 HD13 ILE A 92 15.932 2.996 2.437 1.00 72.42 H new ATOM 1441 N LYS A 93 19.230 2.133 7.158 1.00 31.15 N ATOM 1442 CA LYS A 93 20.286 2.675 8.005 1.00 11.21 C ATOM 1443 C LYS A 93 21.235 1.573 8.464 1.00 44.11 C ATOM 1444 O LYS A 93 22.451 1.761 8.493 1.00 22.21 O ATOM 1445 CB LYS A 93 19.681 3.381 9.221 1.00 63.11 C ATOM 1446 CG LYS A 93 20.613 4.394 9.862 1.00 45.41 C ATOM 1447 CD LYS A 93 19.907 5.198 10.941 1.00 72.22 C ATOM 1448 CE LYS A 93 20.819 6.263 11.530 1.00 30.22 C ATOM 1449 NZ LYS A 93 20.175 6.978 12.667 1.00 71.43 N ATOM 0 H LYS A 93 18.293 2.204 7.555 1.00 31.15 H new ATOM 0 HA LYS A 93 20.853 3.397 7.418 1.00 11.21 H new ATOM 0 HB2 LYS A 93 18.763 3.885 8.919 1.00 63.11 H new ATOM 0 HB3 LYS A 93 19.404 2.633 9.964 1.00 63.11 H new ATOM 0 HG2 LYS A 93 21.471 3.878 10.294 1.00 45.41 H new ATOM 0 HG3 LYS A 93 20.999 5.069 9.098 1.00 45.41 H new ATOM 0 HD2 LYS A 93 19.018 5.670 10.522 1.00 72.22 H new ATOM 0 HD3 LYS A 93 19.569 4.529 11.732 1.00 72.22 H new ATOM 0 HE2 LYS A 93 21.745 5.800 11.870 1.00 30.22 H new ATOM 0 HE3 LYS A 93 21.087 6.981 10.755 1.00 30.22 H new ATOM 0 HZ1 LYS A 93 20.829 7.696 13.041 1.00 71.43 H new ATOM 0 HZ2 LYS A 93 19.304 7.441 12.337 1.00 71.43 H new ATOM 0 HZ3 LYS A 93 19.942 6.297 13.418 1.00 71.43 H new ATOM 1463 N ALA A 94 20.672 0.423 8.820 1.00 50.31 N ATOM 1464 CA ALA A 94 21.469 -0.710 9.274 1.00 50.35 C ATOM 1465 C ALA A 94 22.345 -1.250 8.148 1.00 30.35 C ATOM 1466 O ALA A 94 23.463 -1.711 8.384 1.00 54.12 O ATOM 1467 CB ALA A 94 20.565 -1.807 9.815 1.00 23.43 C ATOM 0 H ALA A 94 19.667 0.251 8.803 1.00 50.31 H new ATOM 0 HA ALA A 94 22.123 -0.366 10.075 1.00 50.35 H new ATOM 0 HB1 ALA A 94 21.173 -2.647 10.151 1.00 23.43 H new ATOM 0 HB2 ALA A 94 19.986 -1.421 10.654 1.00 23.43 H new ATOM 0 HB3 ALA A 94 19.887 -2.141 9.029 1.00 23.43 H new ATOM 1473 N THR A 95 21.831 -1.192 6.924 1.00 74.11 N ATOM 1474 CA THR A 95 22.565 -1.677 5.763 1.00 61.45 C ATOM 1475 C THR A 95 23.764 -0.786 5.459 1.00 61.54 C ATOM 1476 O THR A 95 24.869 -1.275 5.226 1.00 62.23 O ATOM 1477 CB THR A 95 21.663 -1.747 4.516 1.00 32.31 C ATOM 1478 OG1 THR A 95 20.688 -2.784 4.674 1.00 20.24 O ATOM 1479 CG2 THR A 95 22.488 -2.007 3.265 1.00 52.34 C ATOM 0 H THR A 95 20.908 -0.813 6.711 1.00 74.11 H new ATOM 0 HA THR A 95 22.914 -2.681 6.007 1.00 61.45 H new ATOM 0 HB THR A 95 21.158 -0.787 4.406 1.00 32.31 H new ATOM 0 HG1 THR A 95 21.104 -3.654 4.500 1.00 20.24 H new ATOM 0 HG21 THR A 95 21.829 -2.052 2.398 1.00 52.34 H new ATOM 0 HG22 THR A 95 23.210 -1.201 3.131 1.00 52.34 H new ATOM 0 HG23 THR A 95 23.017 -2.954 3.369 1.00 52.34 H new ATOM 1487 N ALA A 96 23.538 0.523 5.463 1.00 5.21 N ATOM 1488 CA ALA A 96 24.602 1.482 5.190 1.00 14.45 C ATOM 1489 C ALA A 96 25.643 1.479 6.304 1.00 23.41 C ATOM 1490 O ALA A 96 26.845 1.461 6.041 1.00 23.52 O ATOM 1491 CB ALA A 96 24.021 2.878 5.013 1.00 31.41 C ATOM 0 H ALA A 96 22.628 0.944 5.652 1.00 5.21 H new ATOM 0 HA ALA A 96 25.096 1.185 4.265 1.00 14.45 H new ATOM 0 HB1 ALA A 96 24.826 3.584 4.810 1.00 31.41 H new ATOM 0 HB2 ALA A 96 23.320 2.877 4.178 1.00 31.41 H new ATOM 0 HB3 ALA A 96 23.500 3.174 5.924 1.00 31.41 H new ATOM 1497 N GLU A 97 25.174 1.496 7.548 1.00 53.54 N ATOM 1498 CA GLU A 97 26.066 1.497 8.701 1.00 64.34 C ATOM 1499 C GLU A 97 26.827 0.178 8.800 1.00 62.41 C ATOM 1500 O GLU A 97 27.977 0.142 9.238 1.00 43.11 O ATOM 1501 CB GLU A 97 25.274 1.739 9.987 1.00 41.20 C ATOM 1502 CG GLU A 97 24.573 0.498 10.513 1.00 53.10 C ATOM 1503 CD GLU A 97 25.468 -0.347 11.398 1.00 62.10 C ATOM 1504 OE1 GLU A 97 26.509 0.169 11.855 1.00 2.01 O ATOM 1505 OE2 GLU A 97 25.127 -1.525 11.633 1.00 31.25 O ATOM 0 H GLU A 97 24.181 1.509 7.783 1.00 53.54 H new ATOM 0 HA GLU A 97 26.787 2.304 8.570 1.00 64.34 H new ATOM 0 HB2 GLU A 97 25.950 2.117 10.754 1.00 41.20 H new ATOM 0 HB3 GLU A 97 24.531 2.516 9.806 1.00 41.20 H new ATOM 0 HG2 GLU A 97 23.689 0.796 11.076 1.00 53.10 H new ATOM 0 HG3 GLU A 97 24.228 -0.103 9.672 1.00 53.10 H new ATOM 1512 N LYS A 98 26.176 -0.906 8.391 1.00 64.15 N ATOM 1513 CA LYS A 98 26.789 -2.228 8.432 1.00 63.43 C ATOM 1514 C LYS A 98 28.095 -2.248 7.644 1.00 43.51 C ATOM 1515 O LYS A 98 29.064 -2.893 8.045 1.00 42.15 O ATOM 1516 CB LYS A 98 25.827 -3.277 7.869 1.00 31.05 C ATOM 1517 CG LYS A 98 25.064 -4.038 8.940 1.00 73.13 C ATOM 1518 CD LYS A 98 25.540 -5.477 9.047 1.00 31.04 C ATOM 1519 CE LYS A 98 26.910 -5.563 9.702 1.00 63.12 C ATOM 1520 NZ LYS A 98 27.216 -6.944 10.169 1.00 41.41 N ATOM 0 H LYS A 98 25.223 -0.895 8.027 1.00 64.15 H new ATOM 0 HA LYS A 98 27.009 -2.466 9.473 1.00 63.43 H new ATOM 0 HB2 LYS A 98 25.114 -2.786 7.206 1.00 31.05 H new ATOM 0 HB3 LYS A 98 26.390 -3.986 7.262 1.00 31.05 H new ATOM 0 HG2 LYS A 98 25.190 -3.540 9.901 1.00 73.13 H new ATOM 0 HG3 LYS A 98 23.999 -4.022 8.710 1.00 73.13 H new ATOM 0 HD2 LYS A 98 24.821 -6.057 9.626 1.00 31.04 H new ATOM 0 HD3 LYS A 98 25.582 -5.922 8.053 1.00 31.04 H new ATOM 0 HE2 LYS A 98 27.673 -5.242 8.992 1.00 63.12 H new ATOM 0 HE3 LYS A 98 26.952 -4.876 10.547 1.00 63.12 H new ATOM 0 HZ1 LYS A 98 28.158 -6.961 10.609 1.00 41.41 H new ATOM 0 HZ2 LYS A 98 26.503 -7.241 10.865 1.00 41.41 H new ATOM 0 HZ3 LYS A 98 27.201 -7.596 9.359 1.00 41.41 H new ATOM 1534 N PHE A 99 28.115 -1.535 6.522 1.00 10.03 N ATOM 1535 CA PHE A 99 29.303 -1.470 5.679 1.00 54.14 C ATOM 1536 C PHE A 99 30.471 -0.842 6.432 1.00 3.31 C ATOM 1537 O PHE A 99 31.631 -1.185 6.201 1.00 51.22 O ATOM 1538 CB PHE A 99 29.009 -0.667 4.409 1.00 21.43 C ATOM 1539 CG PHE A 99 28.499 -1.507 3.274 1.00 71.44 C ATOM 1540 CD1 PHE A 99 29.332 -2.413 2.636 1.00 54.34 C ATOM 1541 CD2 PHE A 99 27.187 -1.392 2.844 1.00 34.33 C ATOM 1542 CE1 PHE A 99 28.865 -3.186 1.590 1.00 73.23 C ATOM 1543 CE2 PHE A 99 26.714 -2.164 1.799 1.00 11.51 C ATOM 1544 CZ PHE A 99 27.554 -3.062 1.172 1.00 60.52 C ATOM 0 H PHE A 99 27.322 -0.995 6.176 1.00 10.03 H new ATOM 0 HA PHE A 99 29.578 -2.488 5.402 1.00 54.14 H new ATOM 0 HB2 PHE A 99 28.274 0.104 4.638 1.00 21.43 H new ATOM 0 HB3 PHE A 99 29.919 -0.157 4.093 1.00 21.43 H new ATOM 0 HD1 PHE A 99 30.357 -2.516 2.960 1.00 54.34 H new ATOM 0 HD2 PHE A 99 26.526 -0.691 3.331 1.00 34.33 H new ATOM 0 HE1 PHE A 99 29.524 -3.887 1.100 1.00 73.23 H new ATOM 0 HE2 PHE A 99 25.689 -2.065 1.474 1.00 11.51 H new ATOM 0 HZ PHE A 99 27.187 -3.667 0.356 1.00 60.52 H new ATOM 1554 N LYS A 100 30.158 0.081 7.335 1.00 54.31 N ATOM 1555 CA LYS A 100 31.179 0.759 8.124 1.00 25.43 C ATOM 1556 C LYS A 100 31.965 -0.240 8.969 1.00 14.43 C ATOM 1557 O LYS A 100 33.135 -0.020 9.277 1.00 22.35 O ATOM 1558 CB LYS A 100 30.539 1.815 9.028 1.00 74.33 C ATOM 1559 CG LYS A 100 31.538 2.788 9.629 1.00 33.10 C ATOM 1560 CD LYS A 100 30.916 4.155 9.859 1.00 55.04 C ATOM 1561 CE LYS A 100 31.489 5.195 8.909 1.00 45.31 C ATOM 1562 NZ LYS A 100 31.488 6.557 9.511 1.00 3.14 N ATOM 0 H LYS A 100 29.203 0.377 7.539 1.00 54.31 H new ATOM 0 HA LYS A 100 31.868 1.249 7.436 1.00 25.43 H new ATOM 0 HB2 LYS A 100 29.801 2.374 8.453 1.00 74.33 H new ATOM 0 HB3 LYS A 100 30.002 1.314 9.834 1.00 74.33 H new ATOM 0 HG2 LYS A 100 31.909 2.392 10.575 1.00 33.10 H new ATOM 0 HG3 LYS A 100 32.397 2.885 8.965 1.00 33.10 H new ATOM 0 HD2 LYS A 100 29.836 4.092 9.723 1.00 55.04 H new ATOM 0 HD3 LYS A 100 31.090 4.466 10.889 1.00 55.04 H new ATOM 0 HE2 LYS A 100 32.508 4.918 8.639 1.00 45.31 H new ATOM 0 HE3 LYS A 100 30.907 5.205 7.988 1.00 45.31 H new ATOM 0 HZ1 LYS A 100 30.675 7.095 9.150 1.00 3.14 H new ATOM 0 HZ2 LYS A 100 31.420 6.479 10.546 1.00 3.14 H new ATOM 0 HZ3 LYS A 100 32.369 7.049 9.258 1.00 3.14 H new ATOM 1576 N ASN A 101 31.312 -1.337 9.339 1.00 3.13 N ATOM 1577 CA ASN A 101 31.950 -2.369 10.148 1.00 65.31 C ATOM 1578 C ASN A 101 33.127 -2.993 9.404 1.00 62.22 C ATOM 1579 O ASN A 101 33.976 -3.654 10.003 1.00 11.44 O ATOM 1580 CB ASN A 101 30.937 -3.453 10.522 1.00 52.41 C ATOM 1581 CG ASN A 101 29.730 -2.890 11.247 1.00 12.41 C ATOM 1582 OD1 ASN A 101 29.012 -2.042 10.716 1.00 60.23 O ATOM 1583 ND2 ASN A 101 29.501 -3.359 12.468 1.00 61.20 N ATOM 0 H ASN A 101 30.342 -1.534 9.092 1.00 3.13 H new ATOM 0 HA ASN A 101 32.325 -1.901 11.059 1.00 65.31 H new ATOM 0 HB2 ASN A 101 30.608 -3.966 9.619 1.00 52.41 H new ATOM 0 HB3 ASN A 101 31.422 -4.198 11.153 1.00 52.41 H new ATOM 0 HD21 ASN A 101 28.704 -3.017 13.005 1.00 61.20 H new ATOM 0 HD22 ASN A 101 30.122 -4.062 12.869 1.00 61.20 H new ATOM 1590 N LYS A 102 33.172 -2.779 8.093 1.00 0.13 N ATOM 1591 CA LYS A 102 34.245 -3.318 7.266 1.00 52.53 C ATOM 1592 C LYS A 102 35.326 -2.269 7.026 1.00 50.42 C ATOM 1593 O LYS A 102 36.384 -2.569 6.475 1.00 41.44 O ATOM 1594 CB LYS A 102 33.688 -3.806 5.927 1.00 75.32 C ATOM 1595 CG LYS A 102 34.414 -5.019 5.372 1.00 31.52 C ATOM 1596 CD LYS A 102 34.131 -5.210 3.891 1.00 4.23 C ATOM 1597 CE LYS A 102 35.401 -5.530 3.118 1.00 24.43 C ATOM 1598 NZ LYS A 102 35.104 -6.050 1.754 1.00 5.55 N ATOM 0 H LYS A 102 32.477 -2.236 7.580 1.00 0.13 H new ATOM 0 HA LYS A 102 34.691 -4.160 7.796 1.00 52.53 H new ATOM 0 HB2 LYS A 102 32.633 -4.049 6.049 1.00 75.32 H new ATOM 0 HB3 LYS A 102 33.746 -2.995 5.201 1.00 75.32 H new ATOM 0 HG2 LYS A 102 35.487 -4.904 5.526 1.00 31.52 H new ATOM 0 HG3 LYS A 102 34.107 -5.910 5.920 1.00 31.52 H new ATOM 0 HD2 LYS A 102 33.410 -6.017 3.758 1.00 4.23 H new ATOM 0 HD3 LYS A 102 33.676 -4.306 3.487 1.00 4.23 H new ATOM 0 HE2 LYS A 102 36.014 -4.632 3.039 1.00 24.43 H new ATOM 0 HE3 LYS A 102 35.985 -6.267 3.669 1.00 24.43 H new ATOM 0 HZ1 LYS A 102 35.995 -6.256 1.259 1.00 5.55 H new ATOM 0 HZ2 LYS A 102 34.541 -6.921 1.830 1.00 5.55 H new ATOM 0 HZ3 LYS A 102 34.568 -5.336 1.219 1.00 5.55 H new ATOM 1612 N GLY A 103 35.053 -1.037 7.445 1.00 13.31 N ATOM 1613 CA GLY A 103 36.013 0.037 7.268 1.00 54.21 C ATOM 1614 C GLY A 103 35.683 0.919 6.080 1.00 63.14 C ATOM 1615 O GLY A 103 36.429 0.958 5.101 1.00 61.03 O ATOM 0 H GLY A 103 34.184 -0.764 7.904 1.00 13.31 H new ATOM 0 HA2 GLY A 103 36.043 0.646 8.172 1.00 54.21 H new ATOM 0 HA3 GLY A 103 37.008 -0.387 7.136 1.00 54.21 H new ATOM 1619 N PHE A 104 34.562 1.628 6.163 1.00 23.33 N ATOM 1620 CA PHE A 104 34.134 2.511 5.085 1.00 2.21 C ATOM 1621 C PHE A 104 33.275 3.651 5.625 1.00 44.32 C ATOM 1622 O PHE A 104 32.855 3.633 6.782 1.00 53.53 O ATOM 1623 CB PHE A 104 33.353 1.724 4.032 1.00 75.53 C ATOM 1624 CG PHE A 104 34.195 0.740 3.271 1.00 23.13 C ATOM 1625 CD1 PHE A 104 34.880 1.130 2.131 1.00 34.42 C ATOM 1626 CD2 PHE A 104 34.304 -0.574 3.697 1.00 74.23 C ATOM 1627 CE1 PHE A 104 35.655 0.226 1.429 1.00 10.23 C ATOM 1628 CE2 PHE A 104 35.078 -1.482 2.999 1.00 30.11 C ATOM 1629 CZ PHE A 104 35.755 -1.081 1.864 1.00 3.14 C ATOM 0 H PHE A 104 33.934 1.608 6.966 1.00 23.33 H new ATOM 0 HA PHE A 104 35.024 2.937 4.623 1.00 2.21 H new ATOM 0 HB2 PHE A 104 32.537 1.191 4.520 1.00 75.53 H new ATOM 0 HB3 PHE A 104 32.901 2.423 3.329 1.00 75.53 H new ATOM 0 HD1 PHE A 104 34.807 2.151 1.787 1.00 34.42 H new ATOM 0 HD2 PHE A 104 33.778 -0.893 4.585 1.00 74.23 H new ATOM 0 HE1 PHE A 104 36.182 0.542 0.541 1.00 10.23 H new ATOM 0 HE2 PHE A 104 35.153 -2.504 3.341 1.00 30.11 H new ATOM 0 HZ PHE A 104 36.361 -1.788 1.318 1.00 3.14 H new ATOM 1639 N LYS A 105 33.020 4.643 4.778 1.00 35.04 N ATOM 1640 CA LYS A 105 32.211 5.792 5.167 1.00 11.25 C ATOM 1641 C LYS A 105 30.796 5.675 4.610 1.00 12.51 C ATOM 1642 O LYS A 105 30.605 5.454 3.414 1.00 1.42 O ATOM 1643 CB LYS A 105 32.859 7.088 4.675 1.00 1.10 C ATOM 1644 CG LYS A 105 32.048 8.332 4.992 1.00 52.54 C ATOM 1645 CD LYS A 105 32.013 8.611 6.485 1.00 21.41 C ATOM 1646 CE LYS A 105 33.345 9.151 6.982 1.00 10.24 C ATOM 1647 NZ LYS A 105 33.231 9.740 8.346 1.00 75.54 N ATOM 0 H LYS A 105 33.362 4.674 3.818 1.00 35.04 H new ATOM 0 HA LYS A 105 32.153 5.812 6.255 1.00 11.25 H new ATOM 0 HB2 LYS A 105 33.847 7.184 5.125 1.00 1.10 H new ATOM 0 HB3 LYS A 105 33.005 7.025 3.597 1.00 1.10 H new ATOM 0 HG2 LYS A 105 32.476 9.189 4.471 1.00 52.54 H new ATOM 0 HG3 LYS A 105 31.031 8.208 4.620 1.00 52.54 H new ATOM 0 HD2 LYS A 105 31.223 9.330 6.704 1.00 21.41 H new ATOM 0 HD3 LYS A 105 31.767 7.695 7.022 1.00 21.41 H new ATOM 0 HE2 LYS A 105 34.081 8.347 6.994 1.00 10.24 H new ATOM 0 HE3 LYS A 105 33.711 9.908 6.289 1.00 10.24 H new ATOM 0 HZ1 LYS A 105 34.160 10.097 8.649 1.00 75.54 H new ATOM 0 HZ2 LYS A 105 32.548 10.524 8.330 1.00 75.54 H new ATOM 0 HZ3 LYS A 105 32.906 9.011 9.013 1.00 75.54 H new ATOM 1661 N VAL A 106 29.806 5.827 5.484 1.00 31.14 N ATOM 1662 CA VAL A 106 28.408 5.741 5.079 1.00 41.01 C ATOM 1663 C VAL A 106 27.638 6.991 5.492 1.00 64.52 C ATOM 1664 O VAL A 106 27.750 7.453 6.627 1.00 41.05 O ATOM 1665 CB VAL A 106 27.722 4.504 5.688 1.00 31.02 C ATOM 1666 CG1 VAL A 106 28.568 3.922 6.810 1.00 1.12 C ATOM 1667 CG2 VAL A 106 26.330 4.860 6.188 1.00 20.45 C ATOM 0 H VAL A 106 29.946 6.010 6.477 1.00 31.14 H new ATOM 0 HA VAL A 106 28.398 5.654 3.992 1.00 41.01 H new ATOM 0 HB VAL A 106 27.622 3.746 4.911 1.00 31.02 H new ATOM 0 HG11 VAL A 106 28.067 3.049 7.228 1.00 1.12 H new ATOM 0 HG12 VAL A 106 29.541 3.628 6.417 1.00 1.12 H new ATOM 0 HG13 VAL A 106 28.703 4.671 7.590 1.00 1.12 H new ATOM 0 HG21 VAL A 106 25.859 3.975 6.615 1.00 20.45 H new ATOM 0 HG22 VAL A 106 26.405 5.635 6.951 1.00 20.45 H new ATOM 0 HG23 VAL A 106 25.727 5.226 5.357 1.00 20.45 H new ATOM 1677 N GLU A 107 26.857 7.532 4.562 1.00 32.34 N ATOM 1678 CA GLU A 107 26.068 8.729 4.831 1.00 64.43 C ATOM 1679 C GLU A 107 24.612 8.524 4.423 1.00 63.30 C ATOM 1680 O GLU A 107 24.317 7.797 3.473 1.00 1.14 O ATOM 1681 CB GLU A 107 26.654 9.930 4.085 1.00 20.31 C ATOM 1682 CG GLU A 107 25.781 11.172 4.151 1.00 23.34 C ATOM 1683 CD GLU A 107 26.436 12.380 3.510 1.00 22.22 C ATOM 1684 OE1 GLU A 107 27.533 12.770 3.963 1.00 31.42 O ATOM 1685 OE2 GLU A 107 25.853 12.935 2.556 1.00 13.22 O ATOM 0 H GLU A 107 26.754 7.161 3.617 1.00 32.34 H new ATOM 0 HA GLU A 107 26.103 8.923 5.903 1.00 64.43 H new ATOM 0 HB2 GLU A 107 27.634 10.163 4.501 1.00 20.31 H new ATOM 0 HB3 GLU A 107 26.807 9.659 3.040 1.00 20.31 H new ATOM 0 HG2 GLU A 107 24.832 10.971 3.654 1.00 23.34 H new ATOM 0 HG3 GLU A 107 25.554 11.397 5.193 1.00 23.34 H new ATOM 1692 N THR A 108 23.704 9.169 5.148 1.00 2.24 N ATOM 1693 CA THR A 108 22.279 9.057 4.865 1.00 40.33 C ATOM 1694 C THR A 108 21.679 10.416 4.521 1.00 35.32 C ATOM 1695 O THR A 108 21.910 11.402 5.220 1.00 3.23 O ATOM 1696 CB THR A 108 21.514 8.458 6.060 1.00 72.25 C ATOM 1697 OG1 THR A 108 21.991 9.028 7.283 1.00 1.31 O ATOM 1698 CG2 THR A 108 21.676 6.946 6.102 1.00 35.20 C ATOM 0 H THR A 108 23.931 9.775 5.936 1.00 2.24 H new ATOM 0 HA THR A 108 22.178 8.391 4.008 1.00 40.33 H new ATOM 0 HB THR A 108 20.456 8.692 5.940 1.00 72.25 H new ATOM 0 HG1 THR A 108 21.498 8.643 8.037 1.00 1.31 H new ATOM 0 HG21 THR A 108 21.127 6.545 6.954 1.00 35.20 H new ATOM 0 HG22 THR A 108 21.285 6.512 5.182 1.00 35.20 H new ATOM 0 HG23 THR A 108 22.732 6.696 6.200 1.00 35.20 H new ATOM 1706 N ASP A 109 20.906 10.460 3.441 1.00 31.45 N ATOM 1707 CA ASP A 109 20.270 11.698 3.006 1.00 20.32 C ATOM 1708 C ASP A 109 18.788 11.476 2.719 1.00 64.25 C ATOM 1709 O ASP A 109 18.292 10.353 2.801 1.00 73.10 O ATOM 1710 CB ASP A 109 20.968 12.244 1.760 1.00 61.34 C ATOM 1711 CG ASP A 109 21.272 13.725 1.868 1.00 23.13 C ATOM 1712 OD1 ASP A 109 21.952 14.121 2.838 1.00 63.14 O ATOM 1713 OD2 ASP A 109 20.829 14.488 0.984 1.00 5.34 O ATOM 0 H ASP A 109 20.705 9.653 2.851 1.00 31.45 H new ATOM 0 HA ASP A 109 20.360 12.427 3.812 1.00 20.32 H new ATOM 0 HB2 ASP A 109 21.897 11.697 1.598 1.00 61.34 H new ATOM 0 HB3 ASP A 109 20.338 12.068 0.888 1.00 61.34 H new ATOM 1718 N MET A 110 18.088 12.554 2.382 1.00 42.01 N ATOM 1719 CA MET A 110 16.663 12.476 2.082 1.00 2.41 C ATOM 1720 C MET A 110 16.341 13.206 0.782 1.00 54.11 C ATOM 1721 O MET A 110 15.229 13.107 0.262 1.00 54.03 O ATOM 1722 CB MET A 110 15.845 13.071 3.230 1.00 25.35 C ATOM 1723 CG MET A 110 16.112 14.549 3.465 1.00 75.15 C ATOM 1724 SD MET A 110 15.003 15.268 4.691 1.00 3.35 S ATOM 1725 CE MET A 110 16.142 16.300 5.613 1.00 73.45 C ATOM 0 H MET A 110 18.484 13.491 2.310 1.00 42.01 H new ATOM 0 HA MET A 110 16.399 11.425 1.964 1.00 2.41 H new ATOM 0 HB2 MET A 110 14.785 12.931 3.020 1.00 25.35 H new ATOM 0 HB3 MET A 110 16.065 12.521 4.145 1.00 25.35 H new ATOM 0 HG2 MET A 110 17.143 14.680 3.792 1.00 75.15 H new ATOM 0 HG3 MET A 110 16.005 15.088 2.524 1.00 75.15 H new ATOM 0 HE1 MET A 110 15.604 16.813 6.410 1.00 73.45 H new ATOM 0 HE2 MET A 110 16.927 15.679 6.046 1.00 73.45 H new ATOM 0 HE3 MET A 110 16.589 17.036 4.945 1.00 73.45 H new TER 1735 MET A 110