USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 419 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -125:sc= -0.0343 (180deg=-0.692) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 9 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0206) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.428 K(o=0.43,f=-1.7) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -3.84! C(o=-3.8!,f=-1.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.0911 (180deg=-0.477) USER MOD Single : A 33 ASN : amide:sc= -1.55 K(o=-1.5,f=-7.4!) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.349 (180deg=-0.389) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.02 X(o=-1,f=-0.59) USER MOD Single : A 41 ASN : amide:sc= -3.5 K(o=-3.5,f=-1.8) USER MOD Single : A 42 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.236) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00769 USER MOD Single : A 47 THR OG1 : rot -25:sc= 1.09 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 50 ASN : amide:sc= -1.3! C(o=-1.3!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.601 -0.780 -0.587 1.00 53.04 N ATOM 2 CA ALA A 1 1.535 -0.234 -1.564 1.00 24.15 C ATOM 3 C ALA A 1 2.947 -0.760 -1.326 1.00 72.41 C ATOM 4 O ALA A 1 3.542 -0.521 -0.275 1.00 54.41 O ATOM 5 CB ALA A 1 1.522 1.287 -1.514 1.00 72.42 C ATOM 0 H1 ALA A 1 -0.352 -0.406 -0.771 1.00 53.04 H new ATOM 0 H2 ALA A 1 0.587 -1.817 -0.662 1.00 53.04 H new ATOM 0 H3 ALA A 1 0.901 -0.506 0.371 1.00 53.04 H new ATOM 0 HA ALA A 1 1.216 -0.557 -2.555 1.00 24.15 H new ATOM 0 HB1 ALA A 1 2.224 1.681 -2.249 1.00 72.42 H new ATOM 0 HB2 ALA A 1 0.519 1.650 -1.739 1.00 72.42 H new ATOM 0 HB3 ALA A 1 1.813 1.621 -0.518 1.00 72.42 H new ATOM 11 N LYS A 2 3.478 -1.480 -2.309 1.00 1.32 N ATOM 12 CA LYS A 2 4.820 -2.040 -2.208 1.00 23.31 C ATOM 13 C LYS A 2 5.493 -2.091 -3.576 1.00 30.00 C ATOM 14 O LYS A 2 6.377 -1.288 -3.874 1.00 1.51 O ATOM 15 CB LYS A 2 4.765 -3.445 -1.603 1.00 15.12 C ATOM 16 CG LYS A 2 4.909 -3.462 -0.091 1.00 20.00 C ATOM 17 CD LYS A 2 6.312 -3.867 0.331 1.00 53.34 C ATOM 18 CE LYS A 2 7.342 -2.831 -0.094 1.00 32.30 C ATOM 19 NZ LYS A 2 8.006 -3.203 -1.374 1.00 3.51 N ATOM 0 H LYS A 2 2.999 -1.689 -3.185 1.00 1.32 H new ATOM 0 HA LYS A 2 5.408 -1.393 -1.557 1.00 23.31 H new ATOM 0 HB2 LYS A 2 3.818 -3.912 -1.875 1.00 15.12 H new ATOM 0 HB3 LYS A 2 5.557 -4.052 -2.042 1.00 15.12 H new ATOM 0 HG2 LYS A 2 4.679 -2.474 0.308 1.00 20.00 H new ATOM 0 HG3 LYS A 2 4.185 -4.156 0.337 1.00 20.00 H new ATOM 0 HD2 LYS A 2 6.346 -3.993 1.413 1.00 53.34 H new ATOM 0 HD3 LYS A 2 6.562 -4.832 -0.110 1.00 53.34 H new ATOM 0 HE2 LYS A 2 6.857 -1.861 -0.205 1.00 32.30 H new ATOM 0 HE3 LYS A 2 8.094 -2.724 0.688 1.00 32.30 H new ATOM 0 HZ1 LYS A 2 9.037 -3.217 -1.239 1.00 3.51 H new ATOM 0 HZ2 LYS A 2 7.683 -4.146 -1.671 1.00 3.51 H new ATOM 0 HZ3 LYS A 2 7.762 -2.507 -2.107 1.00 3.51 H new ATOM 33 N TYR A 3 5.068 -3.038 -4.404 1.00 71.52 N ATOM 34 CA TYR A 3 5.630 -3.194 -5.741 1.00 21.04 C ATOM 35 C TYR A 3 4.525 -3.342 -6.782 1.00 65.54 C ATOM 36 O TYR A 3 3.386 -3.677 -6.455 1.00 4.02 O ATOM 37 CB TYR A 3 6.558 -4.409 -5.788 1.00 71.21 C ATOM 38 CG TYR A 3 7.794 -4.194 -6.632 1.00 23.44 C ATOM 39 CD1 TYR A 3 8.920 -3.573 -6.104 1.00 33.21 C ATOM 40 CD2 TYR A 3 7.837 -4.612 -7.956 1.00 51.51 C ATOM 41 CE1 TYR A 3 10.051 -3.374 -6.871 1.00 23.12 C ATOM 42 CE2 TYR A 3 8.965 -4.418 -8.730 1.00 13.00 C ATOM 43 CZ TYR A 3 10.069 -3.799 -8.183 1.00 41.30 C ATOM 44 OH TYR A 3 11.194 -3.603 -8.951 1.00 50.31 O ATOM 0 H TYR A 3 4.336 -3.710 -4.173 1.00 71.52 H new ATOM 0 HA TYR A 3 6.205 -2.298 -5.973 1.00 21.04 H new ATOM 0 HB2 TYR A 3 6.861 -4.664 -4.772 1.00 71.21 H new ATOM 0 HB3 TYR A 3 6.005 -5.263 -6.179 1.00 71.21 H new ATOM 0 HD1 TYR A 3 8.910 -3.241 -5.077 1.00 33.21 H new ATOM 0 HD2 TYR A 3 6.974 -5.097 -8.388 1.00 51.51 H new ATOM 0 HE1 TYR A 3 10.917 -2.888 -6.446 1.00 23.12 H new ATOM 0 HE2 TYR A 3 8.982 -4.749 -9.758 1.00 13.00 H new ATOM 0 HH TYR A 3 11.042 -3.961 -9.851 1.00 50.31 H new ATOM 54 N THR A 4 4.871 -3.092 -8.041 1.00 51.45 N ATOM 55 CA THR A 4 3.911 -3.196 -9.133 1.00 34.22 C ATOM 56 C THR A 4 3.967 -4.573 -9.785 1.00 44.21 C ATOM 57 O THR A 4 4.985 -4.957 -10.359 1.00 42.25 O ATOM 58 CB THR A 4 4.162 -2.121 -10.207 1.00 15.11 C ATOM 59 OG1 THR A 4 4.049 -0.816 -9.629 1.00 5.41 O ATOM 60 CG2 THR A 4 3.172 -2.260 -11.353 1.00 74.15 C ATOM 0 H THR A 4 5.810 -2.816 -8.330 1.00 51.45 H new ATOM 0 HA THR A 4 2.923 -3.042 -8.700 1.00 34.22 H new ATOM 0 HB THR A 4 5.170 -2.259 -10.599 1.00 15.11 H new ATOM 0 HG1 THR A 4 4.212 -0.138 -10.318 1.00 5.41 H new ATOM 0 HG21 THR A 4 3.369 -1.490 -12.099 1.00 74.15 H new ATOM 0 HG22 THR A 4 3.280 -3.244 -11.810 1.00 74.15 H new ATOM 0 HG23 THR A 4 2.157 -2.146 -10.973 1.00 74.15 H new ATOM 68 N GLY A 5 2.866 -5.312 -9.693 1.00 21.30 N ATOM 69 CA GLY A 5 2.812 -6.639 -10.280 1.00 10.54 C ATOM 70 C GLY A 5 1.645 -6.804 -11.232 1.00 54.12 C ATOM 71 O GLY A 5 0.771 -5.940 -11.312 1.00 43.24 O ATOM 0 H GLY A 5 2.011 -5.016 -9.223 1.00 21.30 H new ATOM 0 HA2 GLY A 5 3.742 -6.835 -10.813 1.00 10.54 H new ATOM 0 HA3 GLY A 5 2.737 -7.382 -9.486 1.00 10.54 H new ATOM 75 N LYS A 6 1.629 -7.917 -11.958 1.00 53.54 N ATOM 76 CA LYS A 6 0.561 -8.194 -12.911 1.00 54.55 C ATOM 77 C LYS A 6 0.267 -9.689 -12.980 1.00 50.22 C ATOM 78 O LYS A 6 1.180 -10.506 -13.106 1.00 14.10 O ATOM 79 CB LYS A 6 0.940 -7.673 -14.300 1.00 21.23 C ATOM 80 CG LYS A 6 2.410 -7.314 -14.434 1.00 31.22 C ATOM 81 CD LYS A 6 2.770 -6.966 -15.868 1.00 41.13 C ATOM 82 CE LYS A 6 4.227 -7.281 -16.169 1.00 64.23 C ATOM 83 NZ LYS A 6 5.150 -6.306 -15.525 1.00 43.13 N ATOM 0 H LYS A 6 2.344 -8.642 -11.904 1.00 53.54 H new ATOM 0 HA LYS A 6 -0.338 -7.680 -12.570 1.00 54.55 H new ATOM 0 HB2 LYS A 6 0.690 -8.430 -15.044 1.00 21.23 H new ATOM 0 HB3 LYS A 6 0.338 -6.793 -14.526 1.00 21.23 H new ATOM 0 HG2 LYS A 6 2.640 -6.469 -13.785 1.00 31.22 H new ATOM 0 HG3 LYS A 6 3.022 -8.151 -14.097 1.00 31.22 H new ATOM 0 HD2 LYS A 6 2.128 -7.522 -16.551 1.00 41.13 H new ATOM 0 HD3 LYS A 6 2.582 -5.907 -16.045 1.00 41.13 H new ATOM 0 HE2 LYS A 6 4.461 -8.287 -15.820 1.00 64.23 H new ATOM 0 HE3 LYS A 6 4.385 -7.273 -17.247 1.00 64.23 H new ATOM 0 HZ1 LYS A 6 6.133 -6.555 -15.754 1.00 43.13 H new ATOM 0 HZ2 LYS A 6 4.944 -5.349 -15.877 1.00 43.13 H new ATOM 0 HZ3 LYS A 6 5.018 -6.332 -14.494 1.00 43.13 H new ATOM 97 N CYS A 7 -1.012 -10.040 -12.898 1.00 62.43 N ATOM 98 CA CYS A 7 -1.426 -11.437 -12.952 1.00 74.02 C ATOM 99 C CYS A 7 -2.341 -11.687 -14.148 1.00 64.32 C ATOM 100 O CYS A 7 -3.168 -10.846 -14.499 1.00 13.52 O ATOM 101 CB CYS A 7 -2.143 -11.829 -11.658 1.00 44.52 C ATOM 102 SG CYS A 7 -3.801 -12.540 -11.912 1.00 5.52 S ATOM 0 H CYS A 7 -1.780 -9.376 -12.794 1.00 62.43 H new ATOM 0 HA CYS A 7 -0.532 -12.051 -13.065 1.00 74.02 H new ATOM 0 HB2 CYS A 7 -1.529 -12.550 -11.119 1.00 44.52 H new ATOM 0 HB3 CYS A 7 -2.231 -10.948 -11.023 1.00 44.52 H new ATOM 107 N THR A 8 -2.185 -12.851 -14.772 1.00 32.35 N ATOM 108 CA THR A 8 -2.995 -13.213 -15.928 1.00 42.01 C ATOM 109 C THR A 8 -4.035 -14.266 -15.564 1.00 22.25 C ATOM 110 O THR A 8 -3.695 -15.356 -15.103 1.00 60.44 O ATOM 111 CB THR A 8 -2.122 -13.747 -17.080 1.00 13.41 C ATOM 112 OG1 THR A 8 -2.953 -14.207 -18.151 1.00 54.34 O ATOM 113 CG2 THR A 8 -1.229 -14.881 -16.601 1.00 61.03 C ATOM 0 H THR A 8 -1.505 -13.559 -14.496 1.00 32.35 H new ATOM 0 HA THR A 8 -3.501 -12.305 -16.255 1.00 42.01 H new ATOM 0 HB THR A 8 -1.490 -12.933 -17.435 1.00 13.41 H new ATOM 0 HG1 THR A 8 -2.391 -14.543 -18.880 1.00 54.34 H new ATOM 0 HG21 THR A 8 -0.622 -15.242 -17.431 1.00 61.03 H new ATOM 0 HG22 THR A 8 -0.577 -14.520 -15.805 1.00 61.03 H new ATOM 0 HG23 THR A 8 -1.847 -15.695 -16.222 1.00 61.03 H new ATOM 121 N LYS A 9 -5.304 -13.934 -15.772 1.00 74.44 N ATOM 122 CA LYS A 9 -6.396 -14.852 -15.468 1.00 24.31 C ATOM 123 C LYS A 9 -6.199 -16.186 -16.181 1.00 34.42 C ATOM 124 O LYS A 9 -6.740 -17.210 -15.762 1.00 25.12 O ATOM 125 CB LYS A 9 -7.736 -14.237 -15.875 1.00 51.53 C ATOM 126 CG LYS A 9 -8.715 -14.094 -14.723 1.00 73.10 C ATOM 127 CD LYS A 9 -10.097 -13.692 -15.212 1.00 3.24 C ATOM 128 CE LYS A 9 -10.103 -12.272 -15.757 1.00 53.11 C ATOM 129 NZ LYS A 9 -10.049 -12.249 -17.245 1.00 63.21 N ATOM 0 H LYS A 9 -5.603 -13.035 -16.150 1.00 74.44 H new ATOM 0 HA LYS A 9 -6.398 -15.031 -14.393 1.00 24.31 H new ATOM 0 HB2 LYS A 9 -7.557 -13.255 -16.313 1.00 51.53 H new ATOM 0 HB3 LYS A 9 -8.189 -14.854 -16.651 1.00 51.53 H new ATOM 0 HG2 LYS A 9 -8.780 -15.037 -14.181 1.00 73.10 H new ATOM 0 HG3 LYS A 9 -8.345 -13.347 -14.021 1.00 73.10 H new ATOM 0 HD2 LYS A 9 -10.425 -14.383 -15.989 1.00 3.24 H new ATOM 0 HD3 LYS A 9 -10.812 -13.772 -14.393 1.00 3.24 H new ATOM 0 HE2 LYS A 9 -11.002 -11.757 -15.418 1.00 53.11 H new ATOM 0 HE3 LYS A 9 -9.251 -11.725 -15.354 1.00 53.11 H new ATOM 0 HZ1 LYS A 9 -9.702 -11.322 -17.566 1.00 63.21 H new ATOM 0 HZ2 LYS A 9 -9.406 -12.994 -17.581 1.00 63.21 H new ATOM 0 HZ3 LYS A 9 -11.001 -12.414 -17.630 1.00 63.21 H new ATOM 143 N SER A 10 -5.422 -16.167 -17.259 1.00 33.51 N ATOM 144 CA SER A 10 -5.157 -17.376 -18.031 1.00 42.41 C ATOM 145 C SER A 10 -4.474 -18.433 -17.169 1.00 3.55 C ATOM 146 O SER A 10 -4.835 -19.609 -17.205 1.00 23.13 O ATOM 147 CB SER A 10 -4.284 -17.049 -19.244 1.00 60.35 C ATOM 148 OG SER A 10 -4.651 -17.838 -20.363 1.00 42.34 O ATOM 0 H SER A 10 -4.965 -15.329 -17.618 1.00 33.51 H new ATOM 0 HA SER A 10 -6.111 -17.775 -18.375 1.00 42.41 H new ATOM 0 HB2 SER A 10 -4.382 -15.992 -19.492 1.00 60.35 H new ATOM 0 HB3 SER A 10 -3.236 -17.223 -19.000 1.00 60.35 H new ATOM 0 HG SER A 10 -4.080 -17.609 -21.126 1.00 42.34 H new ATOM 154 N LYS A 11 -3.484 -18.004 -16.393 1.00 23.33 N ATOM 155 CA LYS A 11 -2.749 -18.911 -15.519 1.00 22.03 C ATOM 156 C LYS A 11 -3.130 -18.688 -14.059 1.00 13.02 C ATOM 157 O LYS A 11 -2.654 -19.391 -13.169 1.00 5.22 O ATOM 158 CB LYS A 11 -1.242 -18.716 -15.699 1.00 3.04 C ATOM 159 CG LYS A 11 -0.591 -19.777 -16.569 1.00 24.23 C ATOM 160 CD LYS A 11 -0.228 -21.013 -15.763 1.00 21.40 C ATOM 161 CE LYS A 11 0.752 -21.901 -16.515 1.00 4.34 C ATOM 162 NZ LYS A 11 0.529 -23.344 -16.224 1.00 62.11 N ATOM 0 H LYS A 11 -3.172 -17.034 -16.352 1.00 23.33 H new ATOM 0 HA LYS A 11 -3.013 -19.933 -15.793 1.00 22.03 H new ATOM 0 HB2 LYS A 11 -1.061 -17.736 -16.140 1.00 3.04 H new ATOM 0 HB3 LYS A 11 -0.764 -18.718 -14.719 1.00 3.04 H new ATOM 0 HG2 LYS A 11 -1.270 -20.054 -17.376 1.00 24.23 H new ATOM 0 HG3 LYS A 11 0.306 -19.368 -17.033 1.00 24.23 H new ATOM 0 HD2 LYS A 11 0.209 -20.712 -14.811 1.00 21.40 H new ATOM 0 HD3 LYS A 11 -1.132 -21.578 -15.535 1.00 21.40 H new ATOM 0 HE2 LYS A 11 0.651 -21.727 -17.586 1.00 4.34 H new ATOM 0 HE3 LYS A 11 1.772 -21.629 -16.242 1.00 4.34 H new ATOM 0 HZ1 LYS A 11 1.216 -23.916 -16.755 1.00 62.11 H new ATOM 0 HZ2 LYS A 11 0.650 -23.515 -15.205 1.00 62.11 H new ATOM 0 HZ3 LYS A 11 -0.435 -23.610 -16.508 1.00 62.11 H new ATOM 176 N ASN A 12 -3.994 -17.706 -13.821 1.00 20.11 N ATOM 177 CA ASN A 12 -4.440 -17.392 -12.468 1.00 51.45 C ATOM 178 C ASN A 12 -3.250 -17.200 -11.534 1.00 24.44 C ATOM 179 O ASN A 12 -3.283 -17.620 -10.378 1.00 22.35 O ATOM 180 CB ASN A 12 -5.347 -18.503 -11.937 1.00 30.32 C ATOM 181 CG ASN A 12 -6.647 -17.967 -11.369 1.00 2.12 C ATOM 182 OD1 ASN A 12 -7.263 -17.068 -11.941 1.00 51.11 O ATOM 183 ND2 ASN A 12 -7.069 -18.518 -10.237 1.00 14.33 N ATOM 0 H ASN A 12 -4.399 -17.115 -14.547 1.00 20.11 H new ATOM 0 HA ASN A 12 -5.003 -16.460 -12.505 1.00 51.45 H new ATOM 0 HB2 ASN A 12 -5.567 -19.204 -12.742 1.00 30.32 H new ATOM 0 HB3 ASN A 12 -4.819 -19.061 -11.164 1.00 30.32 H new ATOM 0 HD21 ASN A 12 -7.937 -18.198 -9.807 1.00 14.33 H new ATOM 0 HD22 ASN A 12 -6.525 -19.261 -9.798 1.00 14.33 H new ATOM 190 N GLU A 13 -2.200 -16.563 -12.043 1.00 71.44 N ATOM 191 CA GLU A 13 -0.999 -16.317 -11.254 1.00 33.04 C ATOM 192 C GLU A 13 -0.473 -14.904 -11.490 1.00 32.13 C ATOM 193 O GLU A 13 -0.818 -14.258 -12.479 1.00 75.15 O ATOM 194 CB GLU A 13 0.084 -17.341 -11.599 1.00 41.20 C ATOM 195 CG GLU A 13 1.079 -16.848 -12.636 1.00 41.41 C ATOM 196 CD GLU A 13 0.474 -16.745 -14.023 1.00 13.44 C ATOM 197 OE1 GLU A 13 1.116 -17.212 -14.986 1.00 63.21 O ATOM 198 OE2 GLU A 13 -0.642 -16.197 -14.144 1.00 44.44 O ATOM 0 H GLU A 13 -2.157 -16.208 -12.998 1.00 71.44 H new ATOM 0 HA GLU A 13 -1.261 -16.417 -10.201 1.00 33.04 H new ATOM 0 HB2 GLU A 13 0.622 -17.609 -10.690 1.00 41.20 H new ATOM 0 HB3 GLU A 13 -0.391 -18.250 -11.967 1.00 41.20 H new ATOM 0 HG2 GLU A 13 1.457 -15.871 -12.335 1.00 41.41 H new ATOM 0 HG3 GLU A 13 1.933 -17.525 -12.666 1.00 41.41 H new ATOM 205 N CYS A 14 0.364 -14.430 -10.573 1.00 71.10 N ATOM 206 CA CYS A 14 0.938 -13.094 -10.679 1.00 32.12 C ATOM 207 C CYS A 14 2.462 -13.152 -10.640 1.00 62.40 C ATOM 208 O CYS A 14 3.046 -14.132 -10.175 1.00 51.41 O ATOM 209 CB CYS A 14 0.422 -12.203 -9.547 1.00 74.50 C ATOM 210 SG CYS A 14 0.554 -10.419 -9.886 1.00 41.52 S ATOM 0 H CYS A 14 0.660 -14.952 -9.748 1.00 71.10 H new ATOM 0 HA CYS A 14 0.632 -12.669 -11.635 1.00 32.12 H new ATOM 0 HB2 CYS A 14 -0.622 -12.449 -9.353 1.00 74.50 H new ATOM 0 HB3 CYS A 14 0.978 -12.431 -8.637 1.00 74.50 H new ATOM 215 N LYS A 15 3.102 -12.096 -11.132 1.00 33.54 N ATOM 216 CA LYS A 15 4.558 -12.025 -11.153 1.00 12.34 C ATOM 217 C LYS A 15 5.043 -10.664 -10.663 1.00 14.11 C ATOM 218 O LYS A 15 4.443 -9.633 -10.969 1.00 73.34 O ATOM 219 CB LYS A 15 5.081 -12.286 -12.567 1.00 5.13 C ATOM 220 CG LYS A 15 4.508 -13.539 -13.206 1.00 53.40 C ATOM 221 CD LYS A 15 3.345 -13.212 -14.129 1.00 5.54 C ATOM 222 CE LYS A 15 3.762 -13.264 -15.590 1.00 62.54 C ATOM 223 NZ LYS A 15 2.630 -13.652 -16.476 1.00 53.24 N ATOM 0 H LYS A 15 2.635 -11.277 -11.522 1.00 33.54 H new ATOM 0 HA LYS A 15 4.945 -12.792 -10.482 1.00 12.34 H new ATOM 0 HB2 LYS A 15 4.846 -11.428 -13.196 1.00 5.13 H new ATOM 0 HB3 LYS A 15 6.167 -12.369 -12.534 1.00 5.13 H new ATOM 0 HG2 LYS A 15 5.288 -14.051 -13.769 1.00 53.40 H new ATOM 0 HG3 LYS A 15 4.174 -14.226 -12.428 1.00 53.40 H new ATOM 0 HD2 LYS A 15 2.532 -13.918 -13.956 1.00 5.54 H new ATOM 0 HD3 LYS A 15 2.961 -12.219 -13.894 1.00 5.54 H new ATOM 0 HE2 LYS A 15 4.143 -12.289 -15.894 1.00 62.54 H new ATOM 0 HE3 LYS A 15 4.578 -13.977 -15.710 1.00 62.54 H new ATOM 0 HZ1 LYS A 15 2.955 -13.676 -17.464 1.00 53.24 H new ATOM 0 HZ2 LYS A 15 2.282 -14.593 -16.203 1.00 53.24 H new ATOM 0 HZ3 LYS A 15 1.861 -12.958 -16.381 1.00 53.24 H new ATOM 237 N TYR A 16 6.132 -10.668 -9.902 1.00 54.34 N ATOM 238 CA TYR A 16 6.696 -9.433 -9.370 1.00 22.42 C ATOM 239 C TYR A 16 8.215 -9.529 -9.268 1.00 5.30 C ATOM 240 O TYR A 16 8.779 -10.622 -9.206 1.00 14.24 O ATOM 241 CB TYR A 16 6.100 -9.127 -7.995 1.00 0.30 C ATOM 242 CG TYR A 16 6.616 -10.029 -6.896 1.00 53.45 C ATOM 243 CD1 TYR A 16 5.966 -11.216 -6.584 1.00 32.42 C ATOM 244 CD2 TYR A 16 7.752 -9.693 -6.171 1.00 12.13 C ATOM 245 CE1 TYR A 16 6.433 -12.043 -5.580 1.00 72.45 C ATOM 246 CE2 TYR A 16 8.227 -10.514 -5.167 1.00 32.51 C ATOM 247 CZ TYR A 16 7.564 -11.688 -4.875 1.00 72.43 C ATOM 248 OH TYR A 16 8.033 -12.509 -3.875 1.00 50.21 O ATOM 0 H TYR A 16 6.641 -11.512 -9.640 1.00 54.34 H new ATOM 0 HA TYR A 16 6.446 -8.623 -10.056 1.00 22.42 H new ATOM 0 HB2 TYR A 16 6.319 -8.091 -7.736 1.00 0.30 H new ATOM 0 HB3 TYR A 16 5.015 -9.219 -8.050 1.00 0.30 H new ATOM 0 HD1 TYR A 16 5.081 -11.497 -7.135 1.00 32.42 H new ATOM 0 HD2 TYR A 16 8.273 -8.774 -6.396 1.00 12.13 H new ATOM 0 HE1 TYR A 16 5.915 -12.962 -5.349 1.00 72.45 H new ATOM 0 HE2 TYR A 16 9.113 -10.238 -4.614 1.00 32.51 H new ATOM 0 HH TYR A 16 8.838 -12.115 -3.479 1.00 50.21 H new ATOM 258 N LYS A 17 8.874 -8.375 -9.251 1.00 2.10 N ATOM 259 CA LYS A 17 10.328 -8.325 -9.155 1.00 2.23 C ATOM 260 C LYS A 17 10.778 -8.344 -7.697 1.00 50.43 C ATOM 261 O LYS A 17 10.277 -7.579 -6.874 1.00 20.43 O ATOM 262 CB LYS A 17 10.863 -7.070 -9.848 1.00 51.23 C ATOM 263 CG LYS A 17 12.284 -7.218 -10.364 1.00 31.33 C ATOM 264 CD LYS A 17 13.304 -6.986 -9.262 1.00 11.53 C ATOM 265 CE LYS A 17 14.174 -5.773 -9.555 1.00 1.12 C ATOM 266 NZ LYS A 17 15.398 -6.140 -10.320 1.00 31.24 N ATOM 0 H LYS A 17 8.424 -7.461 -9.303 1.00 2.10 H new ATOM 0 HA LYS A 17 10.730 -9.207 -9.653 1.00 2.23 H new ATOM 0 HB2 LYS A 17 10.207 -6.818 -10.682 1.00 51.23 H new ATOM 0 HB3 LYS A 17 10.825 -6.235 -9.149 1.00 51.23 H new ATOM 0 HG2 LYS A 17 12.418 -8.216 -10.781 1.00 31.33 H new ATOM 0 HG3 LYS A 17 12.454 -6.508 -11.174 1.00 31.33 H new ATOM 0 HD2 LYS A 17 12.789 -6.845 -8.312 1.00 11.53 H new ATOM 0 HD3 LYS A 17 13.933 -7.869 -9.155 1.00 11.53 H new ATOM 0 HE2 LYS A 17 13.598 -5.041 -10.121 1.00 1.12 H new ATOM 0 HE3 LYS A 17 14.461 -5.297 -8.617 1.00 1.12 H new ATOM 0 HZ1 LYS A 17 15.964 -5.286 -10.500 1.00 31.24 H new ATOM 0 HZ2 LYS A 17 15.961 -6.819 -9.769 1.00 31.24 H new ATOM 0 HZ3 LYS A 17 15.125 -6.571 -11.226 1.00 31.24 H new ATOM 280 N ASN A 18 11.727 -9.221 -7.387 1.00 11.02 N ATOM 281 CA ASN A 18 12.245 -9.338 -6.028 1.00 73.14 C ATOM 282 C ASN A 18 13.710 -8.919 -5.967 1.00 3.31 C ATOM 283 O ASN A 18 14.298 -8.529 -6.976 1.00 21.41 O ATOM 284 CB ASN A 18 12.092 -10.775 -5.524 1.00 40.53 C ATOM 285 CG ASN A 18 12.328 -11.799 -6.617 1.00 62.02 C ATOM 286 OD1 ASN A 18 11.501 -11.969 -7.513 1.00 63.12 O ATOM 287 ND2 ASN A 18 13.461 -12.488 -6.547 1.00 45.23 N ATOM 0 H ASN A 18 12.153 -9.861 -8.058 1.00 11.02 H new ATOM 0 HA ASN A 18 11.668 -8.672 -5.387 1.00 73.14 H new ATOM 0 HB2 ASN A 18 12.795 -10.948 -4.710 1.00 40.53 H new ATOM 0 HB3 ASN A 18 11.091 -10.909 -5.114 1.00 40.53 H new ATOM 0 HD21 ASN A 18 13.675 -13.191 -7.254 1.00 45.23 H new ATOM 0 HD22 ASN A 18 14.118 -12.314 -5.786 1.00 45.23 H new ATOM 294 N SER A 19 14.294 -9.002 -4.776 1.00 4.42 N ATOM 295 CA SER A 19 15.690 -8.628 -4.581 1.00 44.13 C ATOM 296 C SER A 19 16.616 -9.565 -5.351 1.00 70.02 C ATOM 297 O SER A 19 17.639 -9.142 -5.888 1.00 2.41 O ATOM 298 CB SER A 19 16.044 -8.652 -3.093 1.00 63.31 C ATOM 299 OG SER A 19 16.878 -7.559 -2.749 1.00 60.22 O ATOM 0 H SER A 19 13.822 -9.325 -3.931 1.00 4.42 H new ATOM 0 HA SER A 19 15.826 -7.616 -4.963 1.00 44.13 H new ATOM 0 HB2 SER A 19 15.131 -8.618 -2.498 1.00 63.31 H new ATOM 0 HB3 SER A 19 16.548 -9.588 -2.851 1.00 63.31 H new ATOM 0 HG SER A 19 17.088 -7.596 -1.793 1.00 60.22 H new ATOM 305 N ALA A 20 16.248 -10.841 -5.400 1.00 60.14 N ATOM 306 CA ALA A 20 17.043 -11.839 -6.106 1.00 10.24 C ATOM 307 C ALA A 20 17.143 -11.511 -7.591 1.00 45.53 C ATOM 308 O ALA A 20 18.127 -11.852 -8.247 1.00 74.04 O ATOM 309 CB ALA A 20 16.447 -13.225 -5.908 1.00 55.54 C ATOM 0 H ALA A 20 15.405 -11.208 -4.959 1.00 60.14 H new ATOM 0 HA ALA A 20 18.050 -11.826 -5.690 1.00 10.24 H new ATOM 0 HB1 ALA A 20 17.051 -13.960 -6.440 1.00 55.54 H new ATOM 0 HB2 ALA A 20 16.434 -13.467 -4.845 1.00 55.54 H new ATOM 0 HB3 ALA A 20 15.429 -13.242 -6.296 1.00 55.54 H new ATOM 315 N GLY A 21 16.119 -10.846 -8.117 1.00 14.23 N ATOM 316 CA GLY A 21 16.112 -10.484 -9.522 1.00 15.41 C ATOM 317 C GLY A 21 15.429 -11.526 -10.386 1.00 3.41 C ATOM 318 O GLY A 21 15.058 -11.251 -11.527 1.00 50.12 O ATOM 0 H GLY A 21 15.294 -10.551 -7.595 1.00 14.23 H new ATOM 0 HA2 GLY A 21 15.606 -9.526 -9.645 1.00 15.41 H new ATOM 0 HA3 GLY A 21 17.138 -10.349 -9.864 1.00 15.41 H new ATOM 322 N LYS A 22 15.265 -12.727 -9.842 1.00 54.22 N ATOM 323 CA LYS A 22 14.623 -13.815 -10.570 1.00 60.21 C ATOM 324 C LYS A 22 13.104 -13.685 -10.516 1.00 42.44 C ATOM 325 O LYS A 22 12.520 -13.565 -9.439 1.00 73.45 O ATOM 326 CB LYS A 22 15.050 -15.165 -9.990 1.00 63.54 C ATOM 327 CG LYS A 22 16.491 -15.532 -10.301 1.00 23.14 C ATOM 328 CD LYS A 22 17.147 -16.253 -9.135 1.00 13.04 C ATOM 329 CE LYS A 22 17.617 -17.643 -9.533 1.00 24.53 C ATOM 330 NZ LYS A 22 18.490 -18.253 -8.491 1.00 51.01 N ATOM 0 H LYS A 22 15.568 -12.972 -8.899 1.00 54.22 H new ATOM 0 HA LYS A 22 14.938 -13.757 -11.612 1.00 60.21 H new ATOM 0 HB2 LYS A 22 14.914 -15.146 -8.909 1.00 63.54 H new ATOM 0 HB3 LYS A 22 14.393 -15.943 -10.380 1.00 63.54 H new ATOM 0 HG2 LYS A 22 16.523 -16.167 -11.187 1.00 23.14 H new ATOM 0 HG3 LYS A 22 17.055 -14.629 -10.535 1.00 23.14 H new ATOM 0 HD2 LYS A 22 17.995 -15.670 -8.776 1.00 13.04 H new ATOM 0 HD3 LYS A 22 16.440 -16.329 -8.309 1.00 13.04 H new ATOM 0 HE2 LYS A 22 16.752 -18.284 -9.703 1.00 24.53 H new ATOM 0 HE3 LYS A 22 18.162 -17.586 -10.475 1.00 24.53 H new ATOM 0 HZ1 LYS A 22 18.789 -19.200 -8.800 1.00 51.01 H new ATOM 0 HZ2 LYS A 22 19.328 -17.655 -8.347 1.00 51.01 H new ATOM 0 HZ3 LYS A 22 17.962 -18.331 -7.598 1.00 51.01 H new ATOM 344 N ASP A 23 12.471 -13.709 -11.684 1.00 63.41 N ATOM 345 CA ASP A 23 11.020 -13.596 -11.770 1.00 31.53 C ATOM 346 C ASP A 23 10.341 -14.714 -10.985 1.00 33.41 C ATOM 347 O ASP A 23 10.709 -15.884 -11.103 1.00 2.45 O ATOM 348 CB ASP A 23 10.569 -13.636 -13.231 1.00 3.53 C ATOM 349 CG ASP A 23 11.336 -12.658 -14.099 1.00 51.34 C ATOM 350 OD1 ASP A 23 11.853 -13.080 -15.155 1.00 72.31 O ATOM 351 OD2 ASP A 23 11.418 -11.470 -13.724 1.00 42.31 O ATOM 0 H ASP A 23 12.940 -13.806 -12.584 1.00 63.41 H new ATOM 0 HA ASP A 23 10.728 -12.640 -11.334 1.00 31.53 H new ATOM 0 HB2 ASP A 23 10.701 -14.645 -13.622 1.00 3.53 H new ATOM 0 HB3 ASP A 23 9.504 -13.409 -13.286 1.00 3.53 H new ATOM 356 N THR A 24 9.346 -14.348 -10.182 1.00 44.42 N ATOM 357 CA THR A 24 8.617 -15.318 -9.376 1.00 60.31 C ATOM 358 C THR A 24 7.134 -15.321 -9.727 1.00 73.14 C ATOM 359 O THR A 24 6.469 -14.286 -9.667 1.00 63.34 O ATOM 360 CB THR A 24 8.776 -15.031 -7.871 1.00 71.30 C ATOM 361 OG1 THR A 24 7.909 -15.884 -7.115 1.00 75.05 O ATOM 362 CG2 THR A 24 8.460 -13.576 -7.561 1.00 43.24 C ATOM 0 H THR A 24 9.027 -13.385 -10.073 1.00 44.42 H new ATOM 0 HA THR A 24 9.042 -16.297 -9.599 1.00 60.31 H new ATOM 0 HB THR A 24 9.812 -15.228 -7.594 1.00 71.30 H new ATOM 0 HG1 THR A 24 8.017 -15.696 -6.159 1.00 75.05 H new ATOM 0 HG21 THR A 24 8.579 -13.397 -6.492 1.00 43.24 H new ATOM 0 HG22 THR A 24 9.141 -12.930 -8.115 1.00 43.24 H new ATOM 0 HG23 THR A 24 7.433 -13.356 -7.853 1.00 43.24 H new ATOM 370 N PHE A 25 6.619 -16.490 -10.094 1.00 23.43 N ATOM 371 CA PHE A 25 5.213 -16.627 -10.455 1.00 63.51 C ATOM 372 C PHE A 25 4.527 -17.675 -9.583 1.00 42.10 C ATOM 373 O PHE A 25 4.936 -18.836 -9.551 1.00 43.12 O ATOM 374 CB PHE A 25 5.079 -17.009 -11.931 1.00 11.12 C ATOM 375 CG PHE A 25 5.799 -18.277 -12.290 1.00 71.21 C ATOM 376 CD1 PHE A 25 5.113 -19.478 -12.378 1.00 52.45 C ATOM 377 CD2 PHE A 25 7.162 -18.269 -12.539 1.00 11.10 C ATOM 378 CE1 PHE A 25 5.772 -20.647 -12.709 1.00 42.42 C ATOM 379 CE2 PHE A 25 7.827 -19.434 -12.871 1.00 35.45 C ATOM 380 CZ PHE A 25 7.131 -20.625 -12.955 1.00 1.14 C ATOM 0 H PHE A 25 7.155 -17.356 -10.149 1.00 23.43 H new ATOM 0 HA PHE A 25 4.726 -15.666 -10.289 1.00 63.51 H new ATOM 0 HB2 PHE A 25 4.022 -17.119 -12.175 1.00 11.12 H new ATOM 0 HB3 PHE A 25 5.465 -16.195 -12.545 1.00 11.12 H new ATOM 0 HD1 PHE A 25 4.051 -19.501 -12.186 1.00 52.45 H new ATOM 0 HD2 PHE A 25 7.711 -17.341 -12.473 1.00 11.10 H new ATOM 0 HE1 PHE A 25 5.225 -21.576 -12.775 1.00 42.42 H new ATOM 0 HE2 PHE A 25 8.889 -19.414 -13.065 1.00 35.45 H new ATOM 0 HZ PHE A 25 7.649 -21.537 -13.213 1.00 1.14 H new ATOM 390 N ILE A 26 3.483 -17.256 -8.877 1.00 14.22 N ATOM 391 CA ILE A 26 2.739 -18.157 -8.005 1.00 4.11 C ATOM 392 C ILE A 26 1.260 -18.183 -8.374 1.00 21.20 C ATOM 393 O ILE A 26 0.605 -17.143 -8.432 1.00 55.34 O ATOM 394 CB ILE A 26 2.881 -17.753 -6.526 1.00 12.35 C ATOM 395 CG1 ILE A 26 2.061 -18.691 -5.637 1.00 51.23 C ATOM 396 CG2 ILE A 26 2.443 -16.309 -6.327 1.00 22.23 C ATOM 397 CD1 ILE A 26 2.855 -19.294 -4.500 1.00 65.34 C ATOM 0 H ILE A 26 3.133 -16.298 -8.891 1.00 14.22 H new ATOM 0 HA ILE A 26 3.163 -19.152 -8.144 1.00 4.11 H new ATOM 0 HB ILE A 26 3.930 -17.837 -6.241 1.00 12.35 H new ATOM 0 HG12 ILE A 26 1.214 -18.141 -5.226 1.00 51.23 H new ATOM 0 HG13 ILE A 26 1.652 -19.494 -6.250 1.00 51.23 H new ATOM 0 HG21 ILE A 26 2.549 -16.038 -5.277 1.00 22.23 H new ATOM 0 HG22 ILE A 26 3.065 -15.653 -6.936 1.00 22.23 H new ATOM 0 HG23 ILE A 26 1.400 -16.200 -6.626 1.00 22.23 H new ATOM 0 HD11 ILE A 26 2.210 -19.947 -3.912 1.00 65.34 H new ATOM 0 HD12 ILE A 26 3.686 -19.872 -4.903 1.00 65.34 H new ATOM 0 HD13 ILE A 26 3.241 -18.498 -3.864 1.00 65.34 H new ATOM 409 N LYS A 27 0.739 -19.380 -8.621 1.00 32.22 N ATOM 410 CA LYS A 27 -0.664 -19.545 -8.981 1.00 54.43 C ATOM 411 C LYS A 27 -1.561 -19.407 -7.755 1.00 1.31 C ATOM 412 O LYS A 27 -1.178 -19.786 -6.648 1.00 34.52 O ATOM 413 CB LYS A 27 -0.887 -20.909 -9.638 1.00 51.32 C ATOM 414 CG LYS A 27 -0.646 -22.081 -8.703 1.00 12.12 C ATOM 415 CD LYS A 27 -1.944 -22.582 -8.091 1.00 3.32 C ATOM 416 CE LYS A 27 -1.734 -23.076 -6.668 1.00 14.34 C ATOM 417 NZ LYS A 27 -2.230 -24.468 -6.485 1.00 61.13 N ATOM 0 H LYS A 27 1.268 -20.251 -8.578 1.00 32.22 H new ATOM 0 HA LYS A 27 -0.925 -18.760 -9.691 1.00 54.43 H new ATOM 0 HB2 LYS A 27 -1.909 -20.959 -10.014 1.00 51.32 H new ATOM 0 HB3 LYS A 27 -0.226 -21.000 -10.500 1.00 51.32 H new ATOM 0 HG2 LYS A 27 -0.164 -22.891 -9.250 1.00 12.12 H new ATOM 0 HG3 LYS A 27 0.039 -21.780 -7.910 1.00 12.12 H new ATOM 0 HD2 LYS A 27 -2.682 -21.780 -8.094 1.00 3.32 H new ATOM 0 HD3 LYS A 27 -2.348 -23.389 -8.702 1.00 3.32 H new ATOM 0 HE2 LYS A 27 -0.673 -23.033 -6.422 1.00 14.34 H new ATOM 0 HE3 LYS A 27 -2.249 -22.413 -5.974 1.00 14.34 H new ATOM 0 HZ1 LYS A 27 -2.069 -24.768 -5.502 1.00 61.13 H new ATOM 0 HZ2 LYS A 27 -3.248 -24.504 -6.695 1.00 61.13 H new ATOM 0 HZ3 LYS A 27 -1.720 -25.106 -7.129 1.00 61.13 H new ATOM 431 N CYS A 28 -2.756 -18.863 -7.959 1.00 41.44 N ATOM 432 CA CYS A 28 -3.708 -18.676 -6.871 1.00 42.41 C ATOM 433 C CYS A 28 -4.986 -19.469 -7.124 1.00 73.33 C ATOM 434 O CYS A 28 -5.462 -19.584 -8.254 1.00 63.42 O ATOM 435 CB CYS A 28 -4.040 -17.191 -6.706 1.00 32.31 C ATOM 436 SG CYS A 28 -2.581 -16.101 -6.682 1.00 11.14 S ATOM 0 H CYS A 28 -3.088 -18.544 -8.869 1.00 41.44 H new ATOM 0 HA CYS A 28 -3.249 -19.043 -5.953 1.00 42.41 H new ATOM 0 HB2 CYS A 28 -4.696 -16.884 -7.520 1.00 32.31 H new ATOM 0 HB3 CYS A 28 -4.597 -17.055 -5.779 1.00 32.31 H new ATOM 441 N PRO A 29 -5.557 -20.030 -6.048 1.00 73.20 N ATOM 442 CA PRO A 29 -6.788 -20.822 -6.127 1.00 54.03 C ATOM 443 C PRO A 29 -8.008 -19.966 -6.450 1.00 74.02 C ATOM 444 O PRO A 29 -7.879 -18.824 -6.892 1.00 35.01 O ATOM 445 CB PRO A 29 -6.914 -21.424 -4.726 1.00 24.33 C ATOM 446 CG PRO A 29 -6.173 -20.482 -3.841 1.00 14.22 C ATOM 447 CD PRO A 29 -5.045 -19.934 -4.671 1.00 34.03 C ATOM 0 HA PRO A 29 -6.743 -21.566 -6.923 1.00 54.03 H new ATOM 0 HB2 PRO A 29 -7.958 -21.512 -4.425 1.00 24.33 H new ATOM 0 HB3 PRO A 29 -6.486 -22.425 -4.685 1.00 24.33 H new ATOM 0 HG2 PRO A 29 -6.825 -19.681 -3.491 1.00 14.22 H new ATOM 0 HG3 PRO A 29 -5.794 -20.994 -2.957 1.00 14.22 H new ATOM 0 HD2 PRO A 29 -4.810 -18.905 -4.400 1.00 34.03 H new ATOM 0 HD3 PRO A 29 -4.131 -20.514 -4.541 1.00 34.03 H new ATOM 455 N LYS A 30 -9.193 -20.525 -6.227 1.00 11.53 N ATOM 456 CA LYS A 30 -10.438 -19.812 -6.492 1.00 25.42 C ATOM 457 C LYS A 30 -11.125 -19.415 -5.190 1.00 33.35 C ATOM 458 O LYS A 30 -12.286 -19.004 -5.189 1.00 43.31 O ATOM 459 CB LYS A 30 -11.376 -20.680 -7.333 1.00 35.21 C ATOM 460 CG LYS A 30 -11.061 -20.655 -8.818 1.00 43.23 C ATOM 461 CD LYS A 30 -12.215 -20.083 -9.624 1.00 40.41 C ATOM 462 CE LYS A 30 -11.757 -19.611 -10.996 1.00 34.02 C ATOM 463 NZ LYS A 30 -10.826 -18.453 -10.902 1.00 25.30 N ATOM 0 H LYS A 30 -9.318 -21.470 -5.863 1.00 11.53 H new ATOM 0 HA LYS A 30 -10.198 -18.905 -7.046 1.00 25.42 H new ATOM 0 HB2 LYS A 30 -11.323 -21.709 -6.976 1.00 35.21 H new ATOM 0 HB3 LYS A 30 -12.402 -20.343 -7.182 1.00 35.21 H new ATOM 0 HG2 LYS A 30 -10.165 -20.059 -8.991 1.00 43.23 H new ATOM 0 HG3 LYS A 30 -10.842 -21.666 -9.161 1.00 43.23 H new ATOM 0 HD2 LYS A 30 -12.991 -20.840 -9.739 1.00 40.41 H new ATOM 0 HD3 LYS A 30 -12.661 -19.249 -9.082 1.00 40.41 H new ATOM 0 HE2 LYS A 30 -11.264 -20.432 -11.517 1.00 34.02 H new ATOM 0 HE3 LYS A 30 -12.625 -19.331 -11.592 1.00 34.02 H new ATOM 0 HZ1 LYS A 30 -10.828 -17.932 -11.802 1.00 25.30 H new ATOM 0 HZ2 LYS A 30 -11.134 -17.821 -10.136 1.00 25.30 H new ATOM 0 HZ3 LYS A 30 -9.865 -18.796 -10.702 1.00 25.30 H new ATOM 477 N PHE A 31 -10.402 -19.540 -4.082 1.00 21.02 N ATOM 478 CA PHE A 31 -10.943 -19.193 -2.773 1.00 23.54 C ATOM 479 C PHE A 31 -10.768 -17.704 -2.489 1.00 35.30 C ATOM 480 O PHE A 31 -10.091 -16.995 -3.233 1.00 52.20 O ATOM 481 CB PHE A 31 -10.257 -20.016 -1.680 1.00 4.11 C ATOM 482 CG PHE A 31 -11.186 -20.449 -0.582 1.00 53.34 C ATOM 483 CD1 PHE A 31 -12.257 -21.286 -0.853 1.00 44.21 C ATOM 484 CD2 PHE A 31 -10.990 -20.018 0.720 1.00 51.12 C ATOM 485 CE1 PHE A 31 -13.114 -21.686 0.155 1.00 61.35 C ATOM 486 CE2 PHE A 31 -11.844 -20.415 1.731 1.00 23.45 C ATOM 487 CZ PHE A 31 -12.908 -21.250 1.448 1.00 4.54 C ATOM 0 H PHE A 31 -9.440 -19.879 -4.064 1.00 21.02 H new ATOM 0 HA PHE A 31 -12.009 -19.421 -2.776 1.00 23.54 H new ATOM 0 HB2 PHE A 31 -9.805 -20.899 -2.131 1.00 4.11 H new ATOM 0 HB3 PHE A 31 -9.447 -19.428 -1.249 1.00 4.11 H new ATOM 0 HD1 PHE A 31 -12.424 -21.630 -1.863 1.00 44.21 H new ATOM 0 HD2 PHE A 31 -10.161 -19.365 0.947 1.00 51.12 H new ATOM 0 HE1 PHE A 31 -13.944 -22.339 -0.069 1.00 61.35 H new ATOM 0 HE2 PHE A 31 -11.680 -20.073 2.742 1.00 23.45 H new ATOM 0 HZ PHE A 31 -13.577 -21.561 2.237 1.00 4.54 H new ATOM 497 N ASP A 32 -11.385 -17.238 -1.409 1.00 21.14 N ATOM 498 CA ASP A 32 -11.298 -15.834 -1.025 1.00 55.32 C ATOM 499 C ASP A 32 -9.845 -15.409 -0.843 1.00 43.54 C ATOM 500 O ASP A 32 -8.974 -16.237 -0.579 1.00 12.52 O ATOM 501 CB ASP A 32 -12.080 -15.586 0.266 1.00 74.32 C ATOM 502 CG ASP A 32 -13.524 -15.205 0.004 1.00 32.32 C ATOM 503 OD1 ASP A 32 -14.070 -15.626 -1.038 1.00 21.14 O ATOM 504 OD2 ASP A 32 -14.109 -14.487 0.842 1.00 41.15 O ATOM 0 H ASP A 32 -11.951 -17.812 -0.784 1.00 21.14 H new ATOM 0 HA ASP A 32 -11.735 -15.237 -1.826 1.00 55.32 H new ATOM 0 HB2 ASP A 32 -12.050 -16.484 0.883 1.00 74.32 H new ATOM 0 HB3 ASP A 32 -11.595 -14.792 0.834 1.00 74.32 H new ATOM 509 N ASN A 33 -9.590 -14.112 -0.989 1.00 31.24 N ATOM 510 CA ASN A 33 -8.241 -13.577 -0.842 1.00 73.10 C ATOM 511 C ASN A 33 -7.262 -14.313 -1.752 1.00 54.21 C ATOM 512 O ASN A 33 -6.053 -14.302 -1.520 1.00 52.43 O ATOM 513 CB ASN A 33 -7.782 -13.686 0.613 1.00 33.04 C ATOM 514 CG ASN A 33 -6.565 -12.829 0.901 1.00 1.15 C ATOM 515 OD1 ASN A 33 -6.009 -12.199 0.002 1.00 42.31 O ATOM 516 ND2 ASN A 33 -6.145 -12.802 2.161 1.00 61.10 N ATOM 0 H ASN A 33 -10.299 -13.413 -1.209 1.00 31.24 H new ATOM 0 HA ASN A 33 -8.260 -12.526 -1.132 1.00 73.10 H new ATOM 0 HB2 ASN A 33 -8.597 -13.387 1.272 1.00 33.04 H new ATOM 0 HB3 ASN A 33 -7.552 -14.727 0.842 1.00 33.04 H new ATOM 0 HD21 ASN A 33 -5.331 -12.243 2.415 1.00 61.10 H new ATOM 0 HD22 ASN A 33 -6.637 -13.340 2.874 1.00 61.10 H new ATOM 523 N LYS A 34 -7.793 -14.952 -2.789 1.00 52.32 N ATOM 524 CA LYS A 34 -6.968 -15.692 -3.737 1.00 0.35 C ATOM 525 C LYS A 34 -7.533 -15.585 -5.149 1.00 72.43 C ATOM 526 O LYS A 34 -7.445 -16.527 -5.937 1.00 62.41 O ATOM 527 CB LYS A 34 -6.874 -17.162 -3.323 1.00 30.03 C ATOM 528 CG LYS A 34 -6.113 -17.382 -2.027 1.00 11.34 C ATOM 529 CD LYS A 34 -4.616 -17.475 -2.268 1.00 42.30 C ATOM 530 CE LYS A 34 -3.826 -16.969 -1.071 1.00 23.34 C ATOM 531 NZ LYS A 34 -2.401 -17.398 -1.126 1.00 4.35 N ATOM 0 H LYS A 34 -8.792 -14.972 -2.994 1.00 52.32 H new ATOM 0 HA LYS A 34 -5.970 -15.255 -3.731 1.00 0.35 H new ATOM 0 HB2 LYS A 34 -7.881 -17.566 -3.216 1.00 30.03 H new ATOM 0 HB3 LYS A 34 -6.388 -17.725 -4.120 1.00 30.03 H new ATOM 0 HG2 LYS A 34 -6.321 -16.563 -1.338 1.00 11.34 H new ATOM 0 HG3 LYS A 34 -6.463 -18.297 -1.549 1.00 11.34 H new ATOM 0 HD2 LYS A 34 -4.343 -18.510 -2.474 1.00 42.30 H new ATOM 0 HD3 LYS A 34 -4.352 -16.894 -3.152 1.00 42.30 H new ATOM 0 HE2 LYS A 34 -3.877 -15.881 -1.036 1.00 23.34 H new ATOM 0 HE3 LYS A 34 -4.282 -17.339 -0.152 1.00 23.34 H new ATOM 0 HZ1 LYS A 34 -1.827 -16.772 -0.526 1.00 4.35 H new ATOM 0 HZ2 LYS A 34 -2.320 -18.376 -0.783 1.00 4.35 H new ATOM 0 HZ3 LYS A 34 -2.060 -17.346 -2.107 1.00 4.35 H new ATOM 545 N LYS A 35 -8.113 -14.432 -5.464 1.00 60.14 N ATOM 546 CA LYS A 35 -8.690 -14.201 -6.783 1.00 54.31 C ATOM 547 C LYS A 35 -7.655 -13.609 -7.734 1.00 50.02 C ATOM 548 O LYS A 35 -6.707 -12.951 -7.305 1.00 23.23 O ATOM 549 CB LYS A 35 -9.896 -13.264 -6.677 1.00 43.35 C ATOM 550 CG LYS A 35 -9.528 -11.791 -6.728 1.00 5.11 C ATOM 551 CD LYS A 35 -8.689 -11.384 -5.527 1.00 74.35 C ATOM 552 CE LYS A 35 -8.863 -9.909 -5.201 1.00 2.12 C ATOM 553 NZ LYS A 35 -9.865 -9.694 -4.121 1.00 31.04 N ATOM 0 H LYS A 35 -8.196 -13.643 -4.824 1.00 60.14 H new ATOM 0 HA LYS A 35 -9.017 -15.161 -7.183 1.00 54.31 H new ATOM 0 HB2 LYS A 35 -10.590 -13.485 -7.488 1.00 43.35 H new ATOM 0 HB3 LYS A 35 -10.422 -13.466 -5.744 1.00 43.35 H new ATOM 0 HG2 LYS A 35 -8.977 -11.584 -7.645 1.00 5.11 H new ATOM 0 HG3 LYS A 35 -10.436 -11.189 -6.760 1.00 5.11 H new ATOM 0 HD2 LYS A 35 -8.973 -11.985 -4.663 1.00 74.35 H new ATOM 0 HD3 LYS A 35 -7.638 -11.592 -5.728 1.00 74.35 H new ATOM 0 HE2 LYS A 35 -7.905 -9.489 -4.896 1.00 2.12 H new ATOM 0 HE3 LYS A 35 -9.175 -9.373 -6.098 1.00 2.12 H new ATOM 0 HZ1 LYS A 35 -9.955 -8.676 -3.928 1.00 31.04 H new ATOM 0 HZ2 LYS A 35 -10.786 -10.072 -4.422 1.00 31.04 H new ATOM 0 HZ3 LYS A 35 -9.555 -10.184 -3.257 1.00 31.04 H new ATOM 567 N CYS A 36 -7.843 -13.846 -9.028 1.00 54.31 N ATOM 568 CA CYS A 36 -6.927 -13.336 -10.041 1.00 1.43 C ATOM 569 C CYS A 36 -7.667 -12.476 -11.061 1.00 13.41 C ATOM 570 O CYS A 36 -8.769 -12.815 -11.494 1.00 32.23 O ATOM 571 CB CYS A 36 -6.221 -14.493 -10.750 1.00 34.44 C ATOM 572 SG CYS A 36 -4.467 -14.177 -11.125 1.00 20.24 S ATOM 0 H CYS A 36 -8.622 -14.389 -9.400 1.00 54.31 H new ATOM 0 HA CYS A 36 -6.182 -12.716 -9.542 1.00 1.43 H new ATOM 0 HB2 CYS A 36 -6.293 -15.385 -10.127 1.00 34.44 H new ATOM 0 HB3 CYS A 36 -6.747 -14.710 -11.680 1.00 34.44 H new ATOM 577 N THR A 37 -7.054 -11.359 -11.442 1.00 32.12 N ATOM 578 CA THR A 37 -7.654 -10.450 -12.410 1.00 12.32 C ATOM 579 C THR A 37 -6.639 -10.020 -13.463 1.00 75.21 C ATOM 580 O THR A 37 -5.513 -10.517 -13.494 1.00 52.33 O ATOM 581 CB THR A 37 -8.226 -9.195 -11.723 1.00 20.34 C ATOM 582 OG1 THR A 37 -8.395 -9.438 -10.322 1.00 22.25 O ATOM 583 CG2 THR A 37 -9.560 -8.801 -12.339 1.00 20.45 C ATOM 0 H THR A 37 -6.142 -11.063 -11.094 1.00 32.12 H new ATOM 0 HA THR A 37 -8.466 -10.994 -12.892 1.00 12.32 H new ATOM 0 HB THR A 37 -7.522 -8.376 -11.867 1.00 20.34 H new ATOM 0 HG1 THR A 37 -8.757 -8.635 -9.892 1.00 22.25 H new ATOM 0 HG21 THR A 37 -9.944 -7.913 -11.838 1.00 20.45 H new ATOM 0 HG22 THR A 37 -9.423 -8.588 -13.399 1.00 20.45 H new ATOM 0 HG23 THR A 37 -10.271 -9.619 -12.222 1.00 20.45 H new ATOM 591 N LYS A 38 -7.045 -9.094 -14.325 1.00 44.12 N ATOM 592 CA LYS A 38 -6.170 -8.595 -15.380 1.00 13.00 C ATOM 593 C LYS A 38 -4.809 -8.201 -14.817 1.00 3.51 C ATOM 594 O LYS A 38 -4.700 -7.786 -13.663 1.00 32.03 O ATOM 595 CB LYS A 38 -6.813 -7.394 -16.078 1.00 2.02 C ATOM 596 CG LYS A 38 -6.891 -7.538 -17.588 1.00 2.02 C ATOM 597 CD LYS A 38 -7.858 -6.535 -18.194 1.00 61.24 C ATOM 598 CE LYS A 38 -9.084 -7.224 -18.774 1.00 40.22 C ATOM 599 NZ LYS A 38 -9.919 -7.854 -17.715 1.00 13.15 N ATOM 0 H LYS A 38 -7.974 -8.674 -14.314 1.00 44.12 H new ATOM 0 HA LYS A 38 -6.025 -9.395 -16.106 1.00 13.00 H new ATOM 0 HB2 LYS A 38 -7.819 -7.250 -15.683 1.00 2.02 H new ATOM 0 HB3 LYS A 38 -6.244 -6.496 -15.836 1.00 2.02 H new ATOM 0 HG2 LYS A 38 -5.900 -7.396 -18.020 1.00 2.02 H new ATOM 0 HG3 LYS A 38 -7.208 -8.550 -17.842 1.00 2.02 H new ATOM 0 HD2 LYS A 38 -8.168 -5.820 -17.432 1.00 61.24 H new ATOM 0 HD3 LYS A 38 -7.353 -5.968 -18.976 1.00 61.24 H new ATOM 0 HE2 LYS A 38 -9.682 -6.498 -19.324 1.00 40.22 H new ATOM 0 HE3 LYS A 38 -8.769 -7.984 -19.489 1.00 40.22 H new ATOM 0 HZ1 LYS A 38 -10.744 -8.313 -18.151 1.00 13.15 H new ATOM 0 HZ2 LYS A 38 -9.356 -8.565 -17.206 1.00 13.15 H new ATOM 0 HZ3 LYS A 38 -10.241 -7.125 -17.047 1.00 13.15 H new ATOM 613 N ASP A 39 -3.773 -8.331 -15.639 1.00 54.10 N ATOM 614 CA ASP A 39 -2.419 -7.986 -15.224 1.00 1.55 C ATOM 615 C ASP A 39 -2.366 -6.566 -14.668 1.00 14.14 C ATOM 616 O ASP A 39 -1.915 -6.345 -13.545 1.00 5.00 O ATOM 617 CB ASP A 39 -1.451 -8.122 -16.400 1.00 52.11 C ATOM 618 CG ASP A 39 -2.080 -7.711 -17.717 1.00 44.12 C ATOM 619 OD1 ASP A 39 -2.728 -8.565 -18.358 1.00 2.11 O ATOM 620 OD2 ASP A 39 -1.924 -6.535 -18.107 1.00 10.12 O ATOM 0 H ASP A 39 -3.846 -8.673 -16.597 1.00 54.10 H new ATOM 0 HA ASP A 39 -2.120 -8.677 -14.436 1.00 1.55 H new ATOM 0 HB2 ASP A 39 -0.570 -7.508 -16.214 1.00 52.11 H new ATOM 0 HB3 ASP A 39 -1.111 -9.155 -16.470 1.00 52.11 H new ATOM 625 N ASN A 40 -2.831 -5.607 -15.462 1.00 63.13 N ATOM 626 CA ASN A 40 -2.835 -4.208 -15.050 1.00 70.11 C ATOM 627 C ASN A 40 -4.068 -3.893 -14.209 1.00 54.54 C ATOM 628 O ASN A 40 -4.222 -2.780 -13.709 1.00 14.54 O ATOM 629 CB ASN A 40 -2.792 -3.294 -16.276 1.00 1.40 C ATOM 630 CG ASN A 40 -1.805 -3.775 -17.322 1.00 3.42 C ATOM 631 OD1 ASN A 40 -2.055 -3.670 -18.523 1.00 33.14 O ATOM 632 ND2 ASN A 40 -0.675 -4.306 -16.869 1.00 0.42 N ATOM 0 H ASN A 40 -3.210 -5.773 -16.394 1.00 63.13 H new ATOM 0 HA ASN A 40 -1.948 -4.031 -14.442 1.00 70.11 H new ATOM 0 HB2 ASN A 40 -3.787 -3.237 -16.718 1.00 1.40 H new ATOM 0 HB3 ASN A 40 -2.523 -2.285 -15.964 1.00 1.40 H new ATOM 0 HD21 ASN A 40 0.027 -4.647 -17.525 1.00 0.42 H new ATOM 0 HD22 ASN A 40 -0.510 -4.373 -15.865 1.00 0.42 H new ATOM 639 N ASN A 41 -4.944 -4.881 -14.059 1.00 30.11 N ATOM 640 CA ASN A 41 -6.164 -4.709 -13.279 1.00 32.22 C ATOM 641 C ASN A 41 -5.854 -4.117 -11.907 1.00 70.32 C ATOM 642 O ASN A 41 -5.924 -2.904 -11.712 1.00 43.40 O ATOM 643 CB ASN A 41 -6.884 -6.050 -13.117 1.00 51.53 C ATOM 644 CG ASN A 41 -8.183 -5.919 -12.346 1.00 53.31 C ATOM 645 OD1 ASN A 41 -9.203 -5.497 -12.892 1.00 44.24 O ATOM 646 ND2 ASN A 41 -8.152 -6.281 -11.069 1.00 0.12 N ATOM 0 H ASN A 41 -4.832 -5.809 -14.467 1.00 30.11 H new ATOM 0 HA ASN A 41 -6.814 -4.017 -13.815 1.00 32.22 H new ATOM 0 HB2 ASN A 41 -7.090 -6.470 -14.102 1.00 51.53 H new ATOM 0 HB3 ASN A 41 -6.228 -6.752 -12.602 1.00 51.53 H new ATOM 0 HD21 ASN A 41 -8.996 -6.215 -10.500 1.00 0.12 H new ATOM 0 HD22 ASN A 41 -7.285 -6.625 -10.657 1.00 0.12 H new ATOM 653 N LYS A 42 -5.511 -4.983 -10.959 1.00 44.24 N ATOM 654 CA LYS A 42 -5.187 -4.548 -9.606 1.00 14.51 C ATOM 655 C LYS A 42 -4.247 -5.538 -8.926 1.00 13.22 C ATOM 656 O LYS A 42 -4.342 -5.771 -7.720 1.00 65.55 O ATOM 657 CB LYS A 42 -6.466 -4.392 -8.779 1.00 42.42 C ATOM 658 CG LYS A 42 -7.281 -3.164 -9.146 1.00 13.21 C ATOM 659 CD LYS A 42 -8.245 -2.783 -8.035 1.00 55.41 C ATOM 660 CE LYS A 42 -7.532 -2.065 -6.899 1.00 60.34 C ATOM 661 NZ LYS A 42 -7.411 -2.925 -5.690 1.00 32.05 N ATOM 0 H LYS A 42 -5.450 -5.991 -11.103 1.00 44.24 H new ATOM 0 HA LYS A 42 -4.684 -3.583 -9.672 1.00 14.51 H new ATOM 0 HB2 LYS A 42 -7.084 -5.280 -8.910 1.00 42.42 H new ATOM 0 HB3 LYS A 42 -6.202 -4.340 -7.723 1.00 42.42 H new ATOM 0 HG2 LYS A 42 -6.611 -2.329 -9.350 1.00 13.21 H new ATOM 0 HG3 LYS A 42 -7.838 -3.357 -10.063 1.00 13.21 H new ATOM 0 HD2 LYS A 42 -9.029 -2.141 -8.437 1.00 55.41 H new ATOM 0 HD3 LYS A 42 -8.732 -3.679 -7.651 1.00 55.41 H new ATOM 0 HE2 LYS A 42 -6.539 -1.760 -7.229 1.00 60.34 H new ATOM 0 HE3 LYS A 42 -8.077 -1.156 -6.645 1.00 60.34 H new ATOM 0 HZ1 LYS A 42 -6.526 -2.701 -5.192 1.00 32.05 H new ATOM 0 HZ2 LYS A 42 -8.218 -2.750 -5.057 1.00 32.05 H new ATOM 0 HZ3 LYS A 42 -7.405 -3.925 -5.975 1.00 32.05 H new ATOM 675 N CYS A 43 -3.340 -6.116 -9.705 1.00 60.25 N ATOM 676 CA CYS A 43 -2.382 -7.080 -9.179 1.00 24.41 C ATOM 677 C CYS A 43 -1.217 -6.371 -8.494 1.00 32.25 C ATOM 678 O CYS A 43 -0.572 -5.502 -9.081 1.00 23.23 O ATOM 679 CB CYS A 43 -1.857 -7.976 -10.303 1.00 52.33 C ATOM 680 SG CYS A 43 -0.485 -9.066 -9.807 1.00 31.24 S ATOM 0 H CYS A 43 -3.248 -5.933 -10.704 1.00 60.25 H new ATOM 0 HA CYS A 43 -2.895 -7.697 -8.441 1.00 24.41 H new ATOM 0 HB2 CYS A 43 -2.677 -8.589 -10.677 1.00 52.33 H new ATOM 0 HB3 CYS A 43 -1.526 -7.347 -11.130 1.00 52.33 H new ATOM 685 N THR A 44 -0.953 -6.748 -7.246 1.00 74.22 N ATOM 686 CA THR A 44 0.132 -6.149 -6.480 1.00 12.21 C ATOM 687 C THR A 44 0.696 -7.134 -5.463 1.00 22.11 C ATOM 688 O THR A 44 0.074 -8.152 -5.158 1.00 64.02 O ATOM 689 CB THR A 44 -0.335 -4.879 -5.743 1.00 72.22 C ATOM 690 OG1 THR A 44 -1.708 -4.612 -6.049 1.00 75.50 O ATOM 691 CG2 THR A 44 0.518 -3.682 -6.134 1.00 23.14 C ATOM 0 H THR A 44 -1.477 -7.466 -6.745 1.00 74.22 H new ATOM 0 HA THR A 44 0.912 -5.881 -7.193 1.00 12.21 H new ATOM 0 HB THR A 44 -0.228 -5.048 -4.671 1.00 72.22 H new ATOM 0 HG1 THR A 44 -1.998 -3.804 -5.576 1.00 75.50 H new ATOM 0 HG21 THR A 44 0.169 -2.797 -5.601 1.00 23.14 H new ATOM 0 HG22 THR A 44 1.558 -3.876 -5.874 1.00 23.14 H new ATOM 0 HG23 THR A 44 0.438 -3.514 -7.208 1.00 23.14 H new ATOM 699 N VAL A 45 1.878 -6.825 -4.939 1.00 64.14 N ATOM 700 CA VAL A 45 2.526 -7.683 -3.954 1.00 62.05 C ATOM 701 C VAL A 45 2.446 -7.075 -2.559 1.00 32.23 C ATOM 702 O VAL A 45 3.000 -6.006 -2.303 1.00 53.33 O ATOM 703 CB VAL A 45 4.004 -7.930 -4.311 1.00 3.23 C ATOM 704 CG1 VAL A 45 4.765 -6.614 -4.375 1.00 71.24 C ATOM 705 CG2 VAL A 45 4.643 -8.876 -3.305 1.00 44.33 C ATOM 0 H VAL A 45 2.406 -5.987 -5.180 1.00 64.14 H new ATOM 0 HA VAL A 45 1.994 -8.634 -3.963 1.00 62.05 H new ATOM 0 HB VAL A 45 4.050 -8.397 -5.295 1.00 3.23 H new ATOM 0 HG11 VAL A 45 5.807 -6.808 -4.628 1.00 71.24 H new ATOM 0 HG12 VAL A 45 4.320 -5.973 -5.136 1.00 71.24 H new ATOM 0 HG13 VAL A 45 4.714 -6.117 -3.406 1.00 71.24 H new ATOM 0 HG21 VAL A 45 5.687 -9.040 -3.572 1.00 44.33 H new ATOM 0 HG22 VAL A 45 4.588 -8.439 -2.308 1.00 44.33 H new ATOM 0 HG23 VAL A 45 4.113 -9.828 -3.313 1.00 44.33 H new ATOM 715 N ASP A 46 1.753 -7.764 -1.659 1.00 22.14 N ATOM 716 CA ASP A 46 1.601 -7.293 -0.287 1.00 22.22 C ATOM 717 C ASP A 46 1.698 -8.453 0.700 1.00 41.23 C ATOM 718 O ASP A 46 1.397 -9.598 0.361 1.00 15.20 O ATOM 719 CB ASP A 46 0.262 -6.574 -0.117 1.00 41.23 C ATOM 720 CG ASP A 46 0.089 -5.434 -1.102 1.00 14.03 C ATOM 721 OD1 ASP A 46 -0.356 -5.695 -2.239 1.00 53.44 O ATOM 722 OD2 ASP A 46 0.397 -4.281 -0.734 1.00 71.22 O ATOM 0 H ASP A 46 1.288 -8.650 -1.855 1.00 22.14 H new ATOM 0 HA ASP A 46 2.410 -6.593 -0.078 1.00 22.22 H new ATOM 0 HB2 ASP A 46 -0.550 -7.289 -0.247 1.00 41.23 H new ATOM 0 HB3 ASP A 46 0.187 -6.187 0.899 1.00 41.23 H new ATOM 727 N THR A 47 2.122 -8.149 1.923 1.00 63.14 N ATOM 728 CA THR A 47 2.261 -9.166 2.958 1.00 45.43 C ATOM 729 C THR A 47 1.808 -8.636 4.313 1.00 2.42 C ATOM 730 O THR A 47 1.982 -9.295 5.338 1.00 20.22 O ATOM 731 CB THR A 47 3.717 -9.656 3.072 1.00 43.35 C ATOM 732 OG1 THR A 47 3.813 -10.679 4.069 1.00 42.31 O ATOM 733 CG2 THR A 47 4.649 -8.507 3.425 1.00 1.53 C ATOM 0 H THR A 47 2.375 -7.207 2.221 1.00 63.14 H new ATOM 0 HA THR A 47 1.626 -10.002 2.667 1.00 45.43 H new ATOM 0 HB THR A 47 4.017 -10.062 2.106 1.00 43.35 H new ATOM 0 HG1 THR A 47 3.089 -10.570 4.720 1.00 42.31 H new ATOM 0 HG21 THR A 47 5.671 -8.878 3.500 1.00 1.53 H new ATOM 0 HG22 THR A 47 4.596 -7.744 2.649 1.00 1.53 H new ATOM 0 HG23 THR A 47 4.349 -8.075 4.380 1.00 1.53 H new ATOM 741 N TYR A 48 1.226 -7.442 4.312 1.00 41.44 N ATOM 742 CA TYR A 48 0.749 -6.822 5.542 1.00 22.24 C ATOM 743 C TYR A 48 -0.589 -7.418 5.969 1.00 23.54 C ATOM 744 O TYR A 48 -0.807 -7.701 7.146 1.00 34.15 O ATOM 745 CB TYR A 48 0.610 -5.310 5.357 1.00 63.33 C ATOM 746 CG TYR A 48 1.486 -4.503 6.288 1.00 11.12 C ATOM 747 CD1 TYR A 48 1.466 -4.726 7.660 1.00 71.24 C ATOM 748 CD2 TYR A 48 2.332 -3.516 5.798 1.00 62.45 C ATOM 749 CE1 TYR A 48 2.264 -3.991 8.515 1.00 54.43 C ATOM 750 CE2 TYR A 48 3.134 -2.777 6.645 1.00 63.00 C ATOM 751 CZ TYR A 48 3.096 -3.018 8.003 1.00 43.44 C ATOM 752 OH TYR A 48 3.893 -2.282 8.850 1.00 32.22 O ATOM 0 H TYR A 48 1.073 -6.884 3.472 1.00 41.44 H new ATOM 0 HA TYR A 48 1.481 -7.019 6.325 1.00 22.24 H new ATOM 0 HB2 TYR A 48 0.857 -5.054 4.327 1.00 63.33 H new ATOM 0 HB3 TYR A 48 -0.431 -5.027 5.515 1.00 63.33 H new ATOM 0 HD1 TYR A 48 0.815 -5.487 8.064 1.00 71.24 H new ATOM 0 HD2 TYR A 48 2.363 -3.323 4.736 1.00 62.45 H new ATOM 0 HE1 TYR A 48 2.236 -4.177 9.578 1.00 54.43 H new ATOM 0 HE2 TYR A 48 3.787 -2.015 6.247 1.00 63.00 H new ATOM 0 HH TYR A 48 4.419 -1.640 8.329 1.00 32.22 H new ATOM 762 N ASN A 49 -1.481 -7.607 5.002 1.00 25.22 N ATOM 763 CA ASN A 49 -2.798 -8.170 5.276 1.00 23.03 C ATOM 764 C ASN A 49 -2.821 -9.668 4.985 1.00 2.54 C ATOM 765 O ASN A 49 -3.881 -10.291 4.974 1.00 61.43 O ATOM 766 CB ASN A 49 -3.863 -7.460 4.439 1.00 51.13 C ATOM 767 CG ASN A 49 -3.585 -5.977 4.286 1.00 42.01 C ATOM 768 OD1 ASN A 49 -3.259 -5.292 5.256 1.00 70.14 O ATOM 769 ND2 ASN A 49 -3.713 -5.474 3.064 1.00 63.15 N ATOM 0 H ASN A 49 -1.316 -7.379 4.022 1.00 25.22 H new ATOM 0 HA ASN A 49 -3.017 -8.020 6.333 1.00 23.03 H new ATOM 0 HB2 ASN A 49 -3.913 -7.921 3.453 1.00 51.13 H new ATOM 0 HB3 ASN A 49 -4.839 -7.598 4.905 1.00 51.13 H new ATOM 0 HD21 ASN A 49 -3.539 -4.482 2.900 1.00 63.15 H new ATOM 0 HD22 ASN A 49 -3.985 -6.079 2.289 1.00 63.15 H new ATOM 776 N ASN A 50 -1.643 -10.238 4.751 1.00 11.54 N ATOM 777 CA ASN A 50 -1.528 -11.662 4.460 1.00 2.15 C ATOM 778 C ASN A 50 -2.149 -11.993 3.107 1.00 43.33 C ATOM 779 O ASN A 50 -2.222 -13.157 2.714 1.00 40.53 O ATOM 780 CB ASN A 50 -2.204 -12.484 5.559 1.00 33.50 C ATOM 781 CG ASN A 50 -3.024 -13.632 5.001 1.00 50.45 C ATOM 782 OD1 ASN A 50 -2.550 -14.765 4.916 1.00 1.41 O ATOM 783 ND2 ASN A 50 -4.261 -13.342 4.616 1.00 55.24 N ATOM 0 H ASN A 50 -0.755 -9.736 4.757 1.00 11.54 H new ATOM 0 HA ASN A 50 -0.469 -11.916 4.425 1.00 2.15 H new ATOM 0 HB2 ASN A 50 -1.444 -12.878 6.234 1.00 33.50 H new ATOM 0 HB3 ASN A 50 -2.849 -11.834 6.150 1.00 33.50 H new ATOM 0 HD21 ASN A 50 -4.860 -14.073 4.231 1.00 55.24 H new ATOM 0 HD22 ASN A 50 -4.612 -12.389 4.705 1.00 55.24 H new ATOM 790 N ALA A 51 -2.594 -10.960 2.398 1.00 61.30 N ATOM 791 CA ALA A 51 -3.206 -11.140 1.087 1.00 21.54 C ATOM 792 C ALA A 51 -2.164 -11.530 0.044 1.00 53.10 C ATOM 793 O ALA A 51 -1.039 -11.032 0.060 1.00 45.21 O ATOM 794 CB ALA A 51 -3.931 -9.871 0.664 1.00 24.34 C ATOM 0 H ALA A 51 -2.542 -9.990 2.710 1.00 61.30 H new ATOM 0 HA ALA A 51 -3.930 -11.951 1.160 1.00 21.54 H new ATOM 0 HB1 ALA A 51 -4.383 -10.020 -0.317 1.00 24.34 H new ATOM 0 HB2 ALA A 51 -4.709 -9.637 1.391 1.00 24.34 H new ATOM 0 HB3 ALA A 51 -3.221 -9.046 0.615 1.00 24.34 H new ATOM 800 N VAL A 52 -2.547 -12.424 -0.862 1.00 43.03 N ATOM 801 CA VAL A 52 -1.646 -12.880 -1.914 1.00 24.11 C ATOM 802 C VAL A 52 -1.648 -11.917 -3.096 1.00 32.22 C ATOM 803 O VAL A 52 -2.598 -11.158 -3.289 1.00 3.42 O ATOM 804 CB VAL A 52 -2.029 -14.287 -2.411 1.00 14.41 C ATOM 805 CG1 VAL A 52 -3.323 -14.236 -3.210 1.00 20.34 C ATOM 806 CG2 VAL A 52 -0.903 -14.883 -3.241 1.00 73.43 C ATOM 0 H VAL A 52 -3.475 -12.847 -0.889 1.00 43.03 H new ATOM 0 HA VAL A 52 -0.647 -12.916 -1.480 1.00 24.11 H new ATOM 0 HB VAL A 52 -2.190 -14.929 -1.545 1.00 14.41 H new ATOM 0 HG11 VAL A 52 -3.578 -15.239 -3.553 1.00 20.34 H new ATOM 0 HG12 VAL A 52 -4.125 -13.853 -2.579 1.00 20.34 H new ATOM 0 HG13 VAL A 52 -3.194 -13.580 -4.071 1.00 20.34 H new ATOM 0 HG21 VAL A 52 -1.191 -15.877 -3.584 1.00 73.43 H new ATOM 0 HG22 VAL A 52 -0.708 -14.244 -4.102 1.00 73.43 H new ATOM 0 HG23 VAL A 52 -0.002 -14.956 -2.632 1.00 73.43 H new ATOM 816 N ASP A 53 -0.580 -11.954 -3.884 1.00 62.43 N ATOM 817 CA ASP A 53 -0.459 -11.086 -5.050 1.00 2.15 C ATOM 818 C ASP A 53 -1.157 -11.699 -6.259 1.00 55.01 C ATOM 819 O ASP A 53 -0.582 -12.523 -6.970 1.00 60.32 O ATOM 820 CB ASP A 53 1.014 -10.831 -5.371 1.00 45.41 C ATOM 821 CG ASP A 53 1.761 -12.104 -5.715 1.00 22.40 C ATOM 822 OD1 ASP A 53 1.741 -13.045 -4.893 1.00 2.40 O ATOM 823 OD2 ASP A 53 2.365 -12.161 -6.806 1.00 71.44 O ATOM 0 H ASP A 53 0.215 -12.576 -3.737 1.00 62.43 H new ATOM 0 HA ASP A 53 -0.942 -10.137 -4.817 1.00 2.15 H new ATOM 0 HB2 ASP A 53 1.085 -10.135 -6.206 1.00 45.41 H new ATOM 0 HB3 ASP A 53 1.492 -10.353 -4.516 1.00 45.41 H new ATOM 828 N CYS A 54 -2.402 -11.292 -6.486 1.00 62.04 N ATOM 829 CA CYS A 54 -3.181 -11.802 -7.609 1.00 3.45 C ATOM 830 C CYS A 54 -4.356 -10.879 -7.918 1.00 35.41 C ATOM 831 O CYS A 54 -5.207 -10.633 -7.063 1.00 33.11 O ATOM 832 CB CYS A 54 -3.691 -13.212 -7.304 1.00 44.40 C ATOM 833 SG CYS A 54 -2.589 -14.542 -7.884 1.00 14.20 S ATOM 0 H CYS A 54 -2.893 -10.611 -5.907 1.00 62.04 H new ATOM 0 HA CYS A 54 -2.531 -11.840 -8.484 1.00 3.45 H new ATOM 0 HB2 CYS A 54 -3.829 -13.312 -6.227 1.00 44.40 H new ATOM 0 HB3 CYS A 54 -4.671 -13.340 -7.764 1.00 44.40 H new ATOM 838 N ASP A 55 -4.397 -10.373 -9.145 1.00 62.24 N ATOM 839 CA ASP A 55 -5.468 -9.479 -9.569 1.00 74.30 C ATOM 840 C ASP A 55 -5.215 -8.958 -10.980 1.00 52.01 C ATOM 841 O ASP A 55 -4.777 -7.821 -11.163 1.00 64.52 O ATOM 842 CB ASP A 55 -5.599 -8.307 -8.595 1.00 20.52 C ATOM 843 CG ASP A 55 -6.801 -8.446 -7.681 1.00 3.41 C ATOM 844 OD1 ASP A 55 -7.436 -9.521 -7.694 1.00 54.34 O ATOM 845 OD2 ASP A 55 -7.105 -7.479 -6.951 1.00 41.05 O ATOM 0 H ASP A 55 -3.700 -10.567 -9.864 1.00 62.24 H new ATOM 0 HA ASP A 55 -6.400 -10.045 -9.572 1.00 74.30 H new ATOM 0 HB2 ASP A 55 -4.694 -8.236 -7.992 1.00 20.52 H new ATOM 0 HB3 ASP A 55 -5.680 -7.377 -9.158 1.00 20.52 H new TER 850 ASP A 55