USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 468 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 44 THR OG1 : rot -140:sc= 0.555 USER MOD Set 1.2: A 58 THR OG1 : rot -74:sc= 0.739 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -5:sc= 0.321 USER MOD Single : A 3 SER OG : rot -59:sc= 0.19 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.705 USER MOD Single : A 9 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.072) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.713 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 160:sc= -0.248 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 159:sc= -0.934 (180deg=-2.35) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -125:sc= -0.0992 (180deg=-0.992) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 37:sc= 1.17 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.589 7.156 9.998 1.00 0.00 N ATOM 2 CA GLY A 1 -21.879 6.399 8.985 1.00 0.00 C ATOM 3 C GLY A 1 -22.065 6.973 7.594 1.00 0.00 C ATOM 4 O GLY A 1 -21.100 7.135 6.848 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.430 6.723 10.930 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.240 8.136 10.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.607 7.153 9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.817 6.381 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.227 5.366 8.998 1.00 0.00 H new ATOM 8 N SER A 2 -23.310 7.280 7.245 1.00 0.00 N ATOM 9 CA SER A 2 -23.621 7.835 5.933 1.00 0.00 C ATOM 10 C SER A 2 -22.795 7.154 4.846 1.00 0.00 C ATOM 11 O SER A 2 -22.268 7.811 3.948 1.00 0.00 O ATOM 12 CB SER A 2 -23.361 9.342 5.918 1.00 0.00 C ATOM 13 OG SER A 2 -21.975 9.622 6.020 1.00 0.00 O ATOM 0 H SER A 2 -24.120 7.154 7.852 1.00 0.00 H new ATOM 0 HA SER A 2 -24.677 7.654 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.755 9.773 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.892 9.814 6.744 1.00 0.00 H new ATOM 0 HG SER A 2 -21.482 8.786 6.158 1.00 0.00 H new ATOM 19 N SER A 3 -22.687 5.832 4.934 1.00 0.00 N ATOM 20 CA SER A 3 -21.922 5.061 3.961 1.00 0.00 C ATOM 21 C SER A 3 -20.674 5.822 3.525 1.00 0.00 C ATOM 22 O SER A 3 -20.338 5.859 2.342 1.00 0.00 O ATOM 23 CB SER A 3 -22.788 4.737 2.742 1.00 0.00 C ATOM 24 OG SER A 3 -22.178 3.747 1.932 1.00 0.00 O ATOM 0 H SER A 3 -23.120 5.273 5.669 1.00 0.00 H new ATOM 0 HA SER A 3 -21.611 4.130 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.768 4.390 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.950 5.642 2.156 1.00 0.00 H new ATOM 0 HG SER A 3 -21.297 4.061 1.638 1.00 0.00 H new ATOM 30 N GLY A 4 -19.991 6.429 4.491 1.00 0.00 N ATOM 31 CA GLY A 4 -18.787 7.181 4.188 1.00 0.00 C ATOM 32 C GLY A 4 -17.559 6.298 4.095 1.00 0.00 C ATOM 33 O GLY A 4 -17.658 5.119 3.754 1.00 0.00 O ATOM 0 H GLY A 4 -20.250 6.413 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.921 7.711 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.630 7.936 4.959 1.00 0.00 H new ATOM 37 N SER A 5 -16.397 6.868 4.397 1.00 0.00 N ATOM 38 CA SER A 5 -15.143 6.126 4.341 1.00 0.00 C ATOM 39 C SER A 5 -15.109 5.209 3.122 1.00 0.00 C ATOM 40 O SER A 5 -14.660 4.066 3.204 1.00 0.00 O ATOM 41 CB SER A 5 -14.956 5.304 5.617 1.00 0.00 C ATOM 42 OG SER A 5 -14.619 6.135 6.715 1.00 0.00 O ATOM 0 H SER A 5 -16.298 7.842 4.683 1.00 0.00 H new ATOM 0 HA SER A 5 -14.327 6.844 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.873 4.757 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.172 4.563 5.464 1.00 0.00 H new ATOM 0 HG SER A 5 -14.507 5.586 7.519 1.00 0.00 H new ATOM 48 N SER A 6 -15.587 5.720 1.992 1.00 0.00 N ATOM 49 CA SER A 6 -15.615 4.947 0.755 1.00 0.00 C ATOM 50 C SER A 6 -14.367 5.213 -0.080 1.00 0.00 C ATOM 51 O SER A 6 -14.165 6.318 -0.581 1.00 0.00 O ATOM 52 CB SER A 6 -16.867 5.288 -0.056 1.00 0.00 C ATOM 53 OG SER A 6 -16.842 6.637 -0.490 1.00 0.00 O ATOM 0 H SER A 6 -15.960 6.666 1.907 1.00 0.00 H new ATOM 0 HA SER A 6 -15.637 3.889 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.936 4.626 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.756 5.114 0.551 1.00 0.00 H new ATOM 0 HG SER A 6 -15.924 6.890 -0.720 1.00 0.00 H new ATOM 59 N GLY A 7 -13.531 4.189 -0.225 1.00 0.00 N ATOM 60 CA GLY A 7 -12.312 4.331 -1.000 1.00 0.00 C ATOM 61 C GLY A 7 -11.691 2.994 -1.355 1.00 0.00 C ATOM 62 O GLY A 7 -12.391 2.063 -1.751 1.00 0.00 O ATOM 0 H GLY A 7 -13.676 3.264 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.529 4.882 -1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.593 4.923 -0.435 1.00 0.00 H new ATOM 66 N GLY A 8 -10.373 2.899 -1.216 1.00 0.00 N ATOM 67 CA GLY A 8 -9.680 1.664 -1.530 1.00 0.00 C ATOM 68 C GLY A 8 -9.083 1.005 -0.303 1.00 0.00 C ATOM 69 O GLY A 8 -8.709 1.683 0.655 1.00 0.00 O ATOM 0 H GLY A 8 -9.772 3.656 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.374 0.973 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.888 1.869 -2.250 1.00 0.00 H new ATOM 73 N HIS A 9 -8.993 -0.321 -0.329 1.00 0.00 N ATOM 74 CA HIS A 9 -8.437 -1.072 0.791 1.00 0.00 C ATOM 75 C HIS A 9 -7.193 -1.845 0.363 1.00 0.00 C ATOM 76 O HIS A 9 -7.255 -2.699 -0.522 1.00 0.00 O ATOM 77 CB HIS A 9 -9.482 -2.036 1.354 1.00 0.00 C ATOM 78 CG HIS A 9 -10.355 -1.425 2.407 1.00 0.00 C ATOM 79 ND1 HIS A 9 -11.623 -1.885 2.694 1.00 0.00 N ATOM 80 CD2 HIS A 9 -10.134 -0.386 3.246 1.00 0.00 C ATOM 81 CE1 HIS A 9 -12.145 -1.154 3.662 1.00 0.00 C ATOM 82 NE2 HIS A 9 -11.262 -0.238 4.015 1.00 0.00 N ATOM 0 H HIS A 9 -9.298 -0.897 -1.113 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.152 -0.362 1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.109 -2.396 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.974 -2.905 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.238 0.214 3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.127 -1.283 4.092 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -11.396 0.466 4.741 1.00 0.00 H new ATOM 91 N CYS A 10 -6.066 -1.539 0.996 1.00 0.00 N ATOM 92 CA CYS A 10 -4.807 -2.203 0.680 1.00 0.00 C ATOM 93 C CYS A 10 -3.953 -2.375 1.932 1.00 0.00 C ATOM 94 O CYS A 10 -3.950 -1.519 2.816 1.00 0.00 O ATOM 95 CB CYS A 10 -4.035 -1.405 -0.372 1.00 0.00 C ATOM 96 SG CYS A 10 -3.255 0.096 0.265 1.00 0.00 S ATOM 0 H CYS A 10 -5.999 -0.835 1.731 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.037 -3.191 0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.266 -2.045 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.716 -1.133 -1.178 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.625 0.700 -0.698 1.00 0.00 H new ATOM 102 N VAL A 11 -3.232 -3.490 2.002 1.00 0.00 N ATOM 103 CA VAL A 11 -2.375 -3.775 3.146 1.00 0.00 C ATOM 104 C VAL A 11 -0.937 -4.029 2.706 1.00 0.00 C ATOM 105 O VAL A 11 -0.694 -4.655 1.675 1.00 0.00 O ATOM 106 CB VAL A 11 -2.881 -4.996 3.936 1.00 0.00 C ATOM 107 CG1 VAL A 11 -4.234 -4.701 4.566 1.00 0.00 C ATOM 108 CG2 VAL A 11 -2.959 -6.219 3.035 1.00 0.00 C ATOM 0 H VAL A 11 -3.225 -4.210 1.280 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.405 -2.896 3.790 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.172 -5.208 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.576 -5.575 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.142 -3.854 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.955 -4.462 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.318 -7.072 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.645 -6.021 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.969 -6.441 2.637 1.00 0.00 H new ATOM 118 N ALA A 12 0.013 -3.538 3.495 1.00 0.00 N ATOM 119 CA ALA A 12 1.427 -3.714 3.189 1.00 0.00 C ATOM 120 C ALA A 12 1.782 -5.192 3.064 1.00 0.00 C ATOM 121 O ALA A 12 1.331 -6.017 3.858 1.00 0.00 O ATOM 122 CB ALA A 12 2.285 -3.052 4.257 1.00 0.00 C ATOM 0 H ALA A 12 -0.171 -3.015 4.351 1.00 0.00 H new ATOM 0 HA ALA A 12 1.628 -3.236 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.339 -3.192 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.060 -1.986 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.072 -3.503 5.226 1.00 0.00 H new ATOM 128 N ILE A 13 2.591 -5.518 2.062 1.00 0.00 N ATOM 129 CA ILE A 13 3.006 -6.897 1.834 1.00 0.00 C ATOM 130 C ILE A 13 4.355 -7.180 2.487 1.00 0.00 C ATOM 131 O ILE A 13 4.565 -8.248 3.063 1.00 0.00 O ATOM 132 CB ILE A 13 3.099 -7.215 0.330 1.00 0.00 C ATOM 133 CG1 ILE A 13 1.914 -6.602 -0.418 1.00 0.00 C ATOM 134 CG2 ILE A 13 3.151 -8.720 0.109 1.00 0.00 C ATOM 135 CD1 ILE A 13 1.997 -6.766 -1.920 1.00 0.00 C ATOM 0 H ILE A 13 2.972 -4.847 1.395 1.00 0.00 H new ATOM 0 HA ILE A 13 2.246 -7.535 2.285 1.00 0.00 H new ATOM 0 HB ILE A 13 4.017 -6.778 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.992 -7.061 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.854 -5.540 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.217 -8.929 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.025 -9.132 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.249 -9.179 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.124 -6.308 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.901 -6.282 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.026 -7.827 -2.169 1.00 0.00 H new ATOM 147 N TYR A 14 5.264 -6.217 2.394 1.00 0.00 N ATOM 148 CA TYR A 14 6.594 -6.362 2.975 1.00 0.00 C ATOM 149 C TYR A 14 7.036 -5.069 3.654 1.00 0.00 C ATOM 150 O TYR A 14 6.626 -3.976 3.261 1.00 0.00 O ATOM 151 CB TYR A 14 7.604 -6.757 1.897 1.00 0.00 C ATOM 152 CG TYR A 14 7.059 -7.741 0.887 1.00 0.00 C ATOM 153 CD1 TYR A 14 7.001 -9.100 1.172 1.00 0.00 C ATOM 154 CD2 TYR A 14 6.600 -7.312 -0.352 1.00 0.00 C ATOM 155 CE1 TYR A 14 6.504 -10.002 0.252 1.00 0.00 C ATOM 156 CE2 TYR A 14 6.100 -8.207 -1.278 1.00 0.00 C ATOM 157 CZ TYR A 14 6.054 -9.551 -0.971 1.00 0.00 C ATOM 158 OH TYR A 14 5.557 -10.447 -1.890 1.00 0.00 O ATOM 0 H TYR A 14 5.105 -5.327 1.922 1.00 0.00 H new ATOM 0 HA TYR A 14 6.550 -7.149 3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.935 -5.859 1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.483 -7.190 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.351 -9.457 2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.635 -6.260 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.468 -11.055 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.747 -7.856 -2.237 1.00 0.00 H new ATOM 0 HH TYR A 14 5.282 -9.967 -2.699 1.00 0.00 H new ATOM 168 N HIS A 15 7.876 -5.202 4.676 1.00 0.00 N ATOM 169 CA HIS A 15 8.376 -4.045 5.409 1.00 0.00 C ATOM 170 C HIS A 15 8.971 -3.013 4.456 1.00 0.00 C ATOM 171 O HIS A 15 9.921 -3.300 3.728 1.00 0.00 O ATOM 172 CB HIS A 15 9.428 -4.479 6.431 1.00 0.00 C ATOM 173 CG HIS A 15 9.602 -3.509 7.559 1.00 0.00 C ATOM 174 ND1 HIS A 15 10.685 -2.662 7.663 1.00 0.00 N ATOM 175 CD2 HIS A 15 8.823 -3.255 8.636 1.00 0.00 C ATOM 176 CE1 HIS A 15 10.565 -1.929 8.755 1.00 0.00 C ATOM 177 NE2 HIS A 15 9.443 -2.269 9.364 1.00 0.00 N ATOM 0 H HIS A 15 8.224 -6.099 5.015 1.00 0.00 H new ATOM 0 HA HIS A 15 7.537 -3.587 5.933 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.148 -5.451 6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.384 -4.609 5.924 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.888 -3.738 8.878 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.265 -1.179 9.093 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.094 -1.865 10.233 1.00 0.00 H new ATOM 186 N PHE A 16 8.405 -1.811 4.466 1.00 0.00 N ATOM 187 CA PHE A 16 8.878 -0.736 3.601 1.00 0.00 C ATOM 188 C PHE A 16 9.037 0.563 4.385 1.00 0.00 C ATOM 189 O PHE A 16 8.052 1.174 4.800 1.00 0.00 O ATOM 190 CB PHE A 16 7.908 -0.526 2.436 1.00 0.00 C ATOM 191 CG PHE A 16 8.351 0.537 1.472 1.00 0.00 C ATOM 192 CD1 PHE A 16 9.231 0.236 0.444 1.00 0.00 C ATOM 193 CD2 PHE A 16 7.888 1.837 1.593 1.00 0.00 C ATOM 194 CE1 PHE A 16 9.640 1.212 -0.445 1.00 0.00 C ATOM 195 CE2 PHE A 16 8.293 2.817 0.706 1.00 0.00 C ATOM 196 CZ PHE A 16 9.171 2.504 -0.313 1.00 0.00 C ATOM 0 H PHE A 16 7.618 -1.557 5.063 1.00 0.00 H new ATOM 0 HA PHE A 16 9.853 -1.023 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.790 -1.467 1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.928 -0.260 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.601 -0.773 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.203 2.088 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.326 0.964 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.923 3.826 0.810 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.490 3.269 -1.006 1.00 0.00 H new ATOM 206 N GLU A 17 10.284 0.978 4.584 1.00 0.00 N ATOM 207 CA GLU A 17 10.572 2.204 5.320 1.00 0.00 C ATOM 208 C GLU A 17 10.919 3.343 4.365 1.00 0.00 C ATOM 209 O GLU A 17 11.967 3.329 3.721 1.00 0.00 O ATOM 210 CB GLU A 17 11.724 1.977 6.302 1.00 0.00 C ATOM 211 CG GLU A 17 12.120 3.225 7.073 1.00 0.00 C ATOM 212 CD GLU A 17 12.870 2.906 8.352 1.00 0.00 C ATOM 213 OE1 GLU A 17 12.236 2.391 9.298 1.00 0.00 O ATOM 214 OE2 GLU A 17 14.088 3.171 8.408 1.00 0.00 O ATOM 0 H GLU A 17 11.110 0.484 4.246 1.00 0.00 H new ATOM 0 HA GLU A 17 9.678 2.481 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.439 1.198 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.591 1.608 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.742 3.857 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.225 3.798 7.314 1.00 0.00 H new ATOM 221 N GLY A 18 10.030 4.328 4.280 1.00 0.00 N ATOM 222 CA GLY A 18 10.259 5.460 3.402 1.00 0.00 C ATOM 223 C GLY A 18 11.486 6.259 3.795 1.00 0.00 C ATOM 224 O GLY A 18 11.396 7.197 4.588 1.00 0.00 O ATOM 0 H GLY A 18 9.155 4.362 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.373 5.104 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.385 6.111 3.418 1.00 0.00 H new ATOM 228 N SER A 19 12.635 5.888 3.241 1.00 0.00 N ATOM 229 CA SER A 19 13.886 6.573 3.542 1.00 0.00 C ATOM 230 C SER A 19 13.947 7.927 2.841 1.00 0.00 C ATOM 231 O SER A 19 14.260 8.945 3.458 1.00 0.00 O ATOM 232 CB SER A 19 15.079 5.713 3.119 1.00 0.00 C ATOM 233 OG SER A 19 15.042 5.439 1.729 1.00 0.00 O ATOM 0 H SER A 19 12.726 5.116 2.581 1.00 0.00 H new ATOM 0 HA SER A 19 13.930 6.738 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.008 6.227 3.367 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.073 4.777 3.678 1.00 0.00 H new ATOM 0 HG SER A 19 15.815 4.890 1.483 1.00 0.00 H new ATOM 239 N SER A 20 13.644 7.930 1.546 1.00 0.00 N ATOM 240 CA SER A 20 13.667 9.157 0.759 1.00 0.00 C ATOM 241 C SER A 20 12.898 10.270 1.464 1.00 0.00 C ATOM 242 O SER A 20 12.337 10.065 2.540 1.00 0.00 O ATOM 243 CB SER A 20 13.070 8.909 -0.628 1.00 0.00 C ATOM 244 OG SER A 20 13.858 7.991 -1.366 1.00 0.00 O ATOM 0 H SER A 20 13.380 7.097 1.020 1.00 0.00 H new ATOM 0 HA SER A 20 14.705 9.470 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.056 8.523 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.000 9.852 -1.171 1.00 0.00 H new ATOM 0 HG SER A 20 13.454 7.848 -2.248 1.00 0.00 H new ATOM 250 N GLU A 21 12.878 11.448 0.849 1.00 0.00 N ATOM 251 CA GLU A 21 12.179 12.594 1.419 1.00 0.00 C ATOM 252 C GLU A 21 10.669 12.448 1.252 1.00 0.00 C ATOM 253 O GLU A 21 9.910 12.606 2.207 1.00 0.00 O ATOM 254 CB GLU A 21 12.653 13.890 0.756 1.00 0.00 C ATOM 255 CG GLU A 21 12.265 15.143 1.523 1.00 0.00 C ATOM 256 CD GLU A 21 12.837 16.405 0.906 1.00 0.00 C ATOM 257 OE1 GLU A 21 14.070 16.592 0.975 1.00 0.00 O ATOM 258 OE2 GLU A 21 12.052 17.204 0.355 1.00 0.00 O ATOM 0 H GLU A 21 13.337 11.634 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 21 12.408 12.634 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.738 13.859 0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.237 13.947 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.178 15.221 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.612 15.057 2.553 1.00 0.00 H new ATOM 265 N GLY A 22 10.241 12.147 0.030 1.00 0.00 N ATOM 266 CA GLY A 22 8.824 11.986 -0.241 1.00 0.00 C ATOM 267 C GLY A 22 8.393 10.532 -0.227 1.00 0.00 C ATOM 268 O GLY A 22 8.111 9.950 -1.275 1.00 0.00 O ATOM 0 H GLY A 22 10.850 12.012 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.250 12.539 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.591 12.422 -1.213 1.00 0.00 H new ATOM 272 N THR A 23 8.343 9.943 0.964 1.00 0.00 N ATOM 273 CA THR A 23 7.946 8.548 1.110 1.00 0.00 C ATOM 274 C THR A 23 7.442 8.265 2.520 1.00 0.00 C ATOM 275 O THR A 23 7.723 9.017 3.453 1.00 0.00 O ATOM 276 CB THR A 23 9.114 7.596 0.793 1.00 0.00 C ATOM 277 OG1 THR A 23 10.358 8.211 1.147 1.00 0.00 O ATOM 278 CG2 THR A 23 9.127 7.226 -0.682 1.00 0.00 C ATOM 0 H THR A 23 8.572 10.410 1.841 1.00 0.00 H new ATOM 0 HA THR A 23 7.140 8.372 0.397 1.00 0.00 H new ATOM 0 HB THR A 23 8.980 6.686 1.378 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.046 7.521 1.251 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.961 6.553 -0.881 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.191 6.731 -0.941 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.238 8.129 -1.283 1.00 0.00 H new ATOM 286 N ILE A 24 6.696 7.175 2.669 1.00 0.00 N ATOM 287 CA ILE A 24 6.154 6.792 3.967 1.00 0.00 C ATOM 288 C ILE A 24 6.562 5.369 4.334 1.00 0.00 C ATOM 289 O ILE A 24 6.854 4.551 3.462 1.00 0.00 O ATOM 290 CB ILE A 24 4.618 6.896 3.988 1.00 0.00 C ATOM 291 CG1 ILE A 24 4.063 6.304 5.286 1.00 0.00 C ATOM 292 CG2 ILE A 24 4.022 6.189 2.780 1.00 0.00 C ATOM 293 CD1 ILE A 24 2.610 6.642 5.531 1.00 0.00 C ATOM 0 H ILE A 24 6.453 6.542 1.907 1.00 0.00 H new ATOM 0 HA ILE A 24 6.567 7.486 4.699 1.00 0.00 H new ATOM 0 HB ILE A 24 4.339 7.949 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.176 5.220 5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.658 6.666 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.936 6.272 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.396 6.651 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.307 5.137 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.284 6.190 6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.493 7.724 5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.004 6.256 4.712 1.00 0.00 H new ATOM 305 N SER A 25 6.577 5.080 5.631 1.00 0.00 N ATOM 306 CA SER A 25 6.950 3.756 6.115 1.00 0.00 C ATOM 307 C SER A 25 5.717 2.965 6.540 1.00 0.00 C ATOM 308 O SER A 25 4.780 3.518 7.116 1.00 0.00 O ATOM 309 CB SER A 25 7.924 3.874 7.289 1.00 0.00 C ATOM 310 OG SER A 25 7.300 4.478 8.410 1.00 0.00 O ATOM 0 H SER A 25 6.335 5.745 6.366 1.00 0.00 H new ATOM 0 HA SER A 25 7.438 3.223 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.291 2.885 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.790 4.464 6.989 1.00 0.00 H new ATOM 0 HG SER A 25 7.942 4.541 9.148 1.00 0.00 H new ATOM 316 N MET A 26 5.725 1.668 6.251 1.00 0.00 N ATOM 317 CA MET A 26 4.607 0.800 6.604 1.00 0.00 C ATOM 318 C MET A 26 5.106 -0.515 7.194 1.00 0.00 C ATOM 319 O MET A 26 6.279 -0.861 7.060 1.00 0.00 O ATOM 320 CB MET A 26 3.740 0.524 5.374 1.00 0.00 C ATOM 321 CG MET A 26 4.543 0.252 4.113 1.00 0.00 C ATOM 322 SD MET A 26 3.563 0.442 2.611 1.00 0.00 S ATOM 323 CE MET A 26 4.713 -0.161 1.378 1.00 0.00 C ATOM 0 H MET A 26 6.492 1.195 5.774 1.00 0.00 H new ATOM 0 HA MET A 26 4.006 1.311 7.356 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.097 -0.333 5.577 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.086 1.379 5.201 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.394 0.932 4.075 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.945 -0.760 4.154 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.165 -0.459 0.484 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.420 0.628 1.123 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.255 -1.020 1.775 1.00 0.00 H new ATOM 333 N ALA A 27 4.207 -1.243 7.848 1.00 0.00 N ATOM 334 CA ALA A 27 4.556 -2.521 8.458 1.00 0.00 C ATOM 335 C ALA A 27 3.915 -3.682 7.704 1.00 0.00 C ATOM 336 O ALA A 27 2.795 -3.568 7.208 1.00 0.00 O ATOM 337 CB ALA A 27 4.134 -2.541 9.920 1.00 0.00 C ATOM 0 H ALA A 27 3.232 -0.970 7.969 1.00 0.00 H new ATOM 0 HA ALA A 27 5.638 -2.639 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.401 -3.501 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.643 -1.740 10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.056 -2.396 9.990 1.00 0.00 H new ATOM 343 N GLU A 28 4.634 -4.797 7.623 1.00 0.00 N ATOM 344 CA GLU A 28 4.135 -5.978 6.928 1.00 0.00 C ATOM 345 C GLU A 28 2.728 -6.333 7.401 1.00 0.00 C ATOM 346 O GLU A 28 2.507 -6.599 8.581 1.00 0.00 O ATOM 347 CB GLU A 28 5.075 -7.164 7.152 1.00 0.00 C ATOM 348 CG GLU A 28 4.948 -8.248 6.095 1.00 0.00 C ATOM 349 CD GLU A 28 5.866 -9.427 6.356 1.00 0.00 C ATOM 350 OE1 GLU A 28 7.094 -9.269 6.201 1.00 0.00 O ATOM 351 OE2 GLU A 28 5.354 -10.508 6.716 1.00 0.00 O ATOM 0 H GLU A 28 5.563 -4.907 8.030 1.00 0.00 H new ATOM 0 HA GLU A 28 4.095 -5.752 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.104 -6.804 7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.873 -7.598 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.916 -8.597 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.175 -7.825 5.117 1.00 0.00 H new ATOM 358 N GLY A 29 1.779 -6.334 6.469 1.00 0.00 N ATOM 359 CA GLY A 29 0.406 -6.657 6.809 1.00 0.00 C ATOM 360 C GLY A 29 -0.285 -5.535 7.557 1.00 0.00 C ATOM 361 O GLY A 29 -1.206 -5.776 8.338 1.00 0.00 O ATOM 0 H GLY A 29 1.937 -6.117 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.149 -6.877 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.389 -7.561 7.418 1.00 0.00 H new ATOM 365 N GLU A 30 0.161 -4.305 7.321 1.00 0.00 N ATOM 366 CA GLU A 30 -0.421 -3.142 7.981 1.00 0.00 C ATOM 367 C GLU A 30 -1.532 -2.532 7.131 1.00 0.00 C ATOM 368 O GLU A 30 -1.419 -2.453 5.908 1.00 0.00 O ATOM 369 CB GLU A 30 0.658 -2.093 8.258 1.00 0.00 C ATOM 370 CG GLU A 30 0.149 -0.883 9.023 1.00 0.00 C ATOM 371 CD GLU A 30 -0.531 -1.259 10.325 1.00 0.00 C ATOM 372 OE1 GLU A 30 0.171 -1.727 11.246 1.00 0.00 O ATOM 373 OE2 GLU A 30 -1.764 -1.087 10.423 1.00 0.00 O ATOM 0 H GLU A 30 0.923 -4.088 6.678 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.851 -3.471 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.466 -2.556 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.082 -1.761 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.983 -0.214 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.553 -0.331 8.397 1.00 0.00 H new ATOM 380 N ASP A 31 -2.604 -2.105 7.788 1.00 0.00 N ATOM 381 CA ASP A 31 -3.736 -1.502 7.095 1.00 0.00 C ATOM 382 C ASP A 31 -3.370 -0.124 6.552 1.00 0.00 C ATOM 383 O ASP A 31 -2.755 0.686 7.248 1.00 0.00 O ATOM 384 CB ASP A 31 -4.937 -1.391 8.034 1.00 0.00 C ATOM 385 CG ASP A 31 -4.878 -0.152 8.907 1.00 0.00 C ATOM 386 OD1 ASP A 31 -3.843 0.054 9.574 1.00 0.00 O ATOM 387 OD2 ASP A 31 -5.867 0.610 8.923 1.00 0.00 O ATOM 0 H ASP A 31 -2.713 -2.165 8.800 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.000 -2.145 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.854 -1.374 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.982 -2.277 8.668 1.00 0.00 H new ATOM 392 N LEU A 32 -3.751 0.137 5.307 1.00 0.00 N ATOM 393 CA LEU A 32 -3.462 1.417 4.670 1.00 0.00 C ATOM 394 C LEU A 32 -4.697 1.964 3.961 1.00 0.00 C ATOM 395 O LEU A 32 -5.615 1.215 3.628 1.00 0.00 O ATOM 396 CB LEU A 32 -2.312 1.265 3.672 1.00 0.00 C ATOM 397 CG LEU A 32 -1.018 0.669 4.226 1.00 0.00 C ATOM 398 CD1 LEU A 32 -0.122 0.192 3.092 1.00 0.00 C ATOM 399 CD2 LEU A 32 -0.289 1.686 5.091 1.00 0.00 C ATOM 0 H LEU A 32 -4.261 -0.521 4.718 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.169 2.123 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.653 0.639 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.087 2.247 3.255 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.273 -0.190 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.795 -0.229 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.643 -0.570 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.125 1.034 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.630 1.244 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.046 2.564 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.928 1.980 5.924 1.00 0.00 H new ATOM 411 N SER A 33 -4.710 3.273 3.732 1.00 0.00 N ATOM 412 CA SER A 33 -5.833 3.921 3.064 1.00 0.00 C ATOM 413 C SER A 33 -5.418 4.451 1.695 1.00 0.00 C ATOM 414 O SER A 33 -4.768 5.492 1.590 1.00 0.00 O ATOM 415 CB SER A 33 -6.375 5.064 3.924 1.00 0.00 C ATOM 416 OG SER A 33 -7.204 4.573 4.963 1.00 0.00 O ATOM 0 H SER A 33 -3.956 3.906 3.999 1.00 0.00 H new ATOM 0 HA SER A 33 -6.618 3.178 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.545 5.626 4.352 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.940 5.756 3.300 1.00 0.00 H new ATOM 0 HG SER A 33 -7.536 5.323 5.499 1.00 0.00 H new ATOM 422 N LEU A 34 -5.798 3.728 0.648 1.00 0.00 N ATOM 423 CA LEU A 34 -5.466 4.124 -0.716 1.00 0.00 C ATOM 424 C LEU A 34 -5.770 5.601 -0.944 1.00 0.00 C ATOM 425 O LEU A 34 -6.896 6.052 -0.740 1.00 0.00 O ATOM 426 CB LEU A 34 -6.246 3.272 -1.720 1.00 0.00 C ATOM 427 CG LEU A 34 -5.599 3.094 -3.094 1.00 0.00 C ATOM 428 CD1 LEU A 34 -5.214 4.443 -3.681 1.00 0.00 C ATOM 429 CD2 LEU A 34 -4.383 2.185 -2.998 1.00 0.00 C ATOM 0 H LEU A 34 -6.336 2.864 0.717 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.398 3.964 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.403 2.285 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.230 3.720 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.325 2.626 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.755 4.297 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.105 5.061 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.505 4.939 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.936 2.070 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.653 2.624 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.688 1.208 -2.622 1.00 0.00 H new ATOM 441 N MET A 35 -4.757 6.349 -1.368 1.00 0.00 N ATOM 442 CA MET A 35 -4.916 7.776 -1.627 1.00 0.00 C ATOM 443 C MET A 35 -4.886 8.064 -3.124 1.00 0.00 C ATOM 444 O MET A 35 -5.893 8.461 -3.709 1.00 0.00 O ATOM 445 CB MET A 35 -3.816 8.570 -0.920 1.00 0.00 C ATOM 446 CG MET A 35 -3.964 8.599 0.593 1.00 0.00 C ATOM 447 SD MET A 35 -5.080 9.899 1.157 1.00 0.00 S ATOM 448 CE MET A 35 -6.598 8.973 1.369 1.00 0.00 C ATOM 0 H MET A 35 -3.817 5.991 -1.540 1.00 0.00 H new ATOM 0 HA MET A 35 -5.885 8.085 -1.236 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.848 8.139 -1.174 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.818 9.593 -1.297 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.334 7.633 0.937 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.984 8.744 1.047 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.393 9.440 0.788 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.451 7.949 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.875 8.965 2.423 1.00 0.00 H new ATOM 458 N GLU A 36 -3.724 7.861 -3.738 1.00 0.00 N ATOM 459 CA GLU A 36 -3.563 8.101 -5.167 1.00 0.00 C ATOM 460 C GLU A 36 -3.183 6.815 -5.895 1.00 0.00 C ATOM 461 O GLU A 36 -2.248 6.120 -5.500 1.00 0.00 O ATOM 462 CB GLU A 36 -2.498 9.172 -5.411 1.00 0.00 C ATOM 463 CG GLU A 36 -2.728 9.983 -6.675 1.00 0.00 C ATOM 464 CD GLU A 36 -1.435 10.481 -7.292 1.00 0.00 C ATOM 465 OE1 GLU A 36 -0.489 9.675 -7.416 1.00 0.00 O ATOM 466 OE2 GLU A 36 -1.369 11.675 -7.650 1.00 0.00 O ATOM 0 H GLU A 36 -2.881 7.531 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.517 8.452 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.472 9.847 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.520 8.693 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.261 9.371 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.368 10.835 -6.444 1.00 0.00 H new ATOM 473 N GLU A 37 -3.917 6.506 -6.960 1.00 0.00 N ATOM 474 CA GLU A 37 -3.657 5.303 -7.742 1.00 0.00 C ATOM 475 C GLU A 37 -2.354 5.434 -8.526 1.00 0.00 C ATOM 476 O GLU A 37 -1.829 6.534 -8.698 1.00 0.00 O ATOM 477 CB GLU A 37 -4.817 5.033 -8.703 1.00 0.00 C ATOM 478 CG GLU A 37 -6.151 5.572 -8.214 1.00 0.00 C ATOM 479 CD GLU A 37 -7.330 4.969 -8.951 1.00 0.00 C ATOM 480 OE1 GLU A 37 -7.252 3.781 -9.326 1.00 0.00 O ATOM 481 OE2 GLU A 37 -8.333 5.686 -9.153 1.00 0.00 O ATOM 0 H GLU A 37 -4.695 7.071 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.563 4.465 -7.051 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.587 5.479 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.905 3.958 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.252 5.369 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.167 6.655 -8.335 1.00 0.00 H new ATOM 488 N ASP A 38 -1.839 4.304 -8.997 1.00 0.00 N ATOM 489 CA ASP A 38 -0.598 4.291 -9.763 1.00 0.00 C ATOM 490 C ASP A 38 -0.870 3.993 -11.234 1.00 0.00 C ATOM 491 O ASP A 38 -1.347 2.913 -11.582 1.00 0.00 O ATOM 492 CB ASP A 38 0.369 3.254 -9.190 1.00 0.00 C ATOM 493 CG ASP A 38 0.210 1.893 -9.840 1.00 0.00 C ATOM 494 OD1 ASP A 38 0.889 1.639 -10.857 1.00 0.00 O ATOM 495 OD2 ASP A 38 -0.593 1.083 -9.332 1.00 0.00 O ATOM 0 H ASP A 38 -2.261 3.385 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.144 5.279 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.393 3.602 -9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.205 3.162 -8.116 1.00 0.00 H new ATOM 500 N LYS A 39 -0.564 4.959 -12.094 1.00 0.00 N ATOM 501 CA LYS A 39 -0.774 4.801 -13.528 1.00 0.00 C ATOM 502 C LYS A 39 0.556 4.673 -14.263 1.00 0.00 C ATOM 503 O LYS A 39 1.184 5.673 -14.609 1.00 0.00 O ATOM 504 CB LYS A 39 -1.563 5.990 -14.082 1.00 0.00 C ATOM 505 CG LYS A 39 -3.029 5.986 -13.686 1.00 0.00 C ATOM 506 CD LYS A 39 -3.806 4.916 -14.434 1.00 0.00 C ATOM 507 CE LYS A 39 -4.226 5.396 -15.815 1.00 0.00 C ATOM 508 NZ LYS A 39 -4.536 4.259 -16.727 1.00 0.00 N ATOM 0 H LYS A 39 -0.170 5.860 -11.822 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.345 3.887 -13.687 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.104 6.915 -13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.489 5.989 -15.170 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.116 5.817 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.465 6.964 -13.891 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.193 4.020 -14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.690 4.638 -13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.102 6.039 -15.725 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.429 6.001 -16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.818 4.627 -17.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.693 3.659 -16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.314 3.696 -16.328 1.00 0.00 H new ATOM 522 N GLY A 40 0.980 3.435 -14.499 1.00 0.00 N ATOM 523 CA GLY A 40 2.233 3.200 -15.192 1.00 0.00 C ATOM 524 C GLY A 40 3.419 3.806 -14.469 1.00 0.00 C ATOM 525 O GLY A 40 4.478 4.013 -15.062 1.00 0.00 O ATOM 0 H GLY A 40 0.478 2.591 -14.223 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.388 2.127 -15.301 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.172 3.617 -16.197 1.00 0.00 H new ATOM 529 N ASP A 41 3.242 4.094 -13.184 1.00 0.00 N ATOM 530 CA ASP A 41 4.307 4.681 -12.378 1.00 0.00 C ATOM 531 C ASP A 41 4.737 3.727 -11.268 1.00 0.00 C ATOM 532 O ASP A 41 5.874 3.774 -10.802 1.00 0.00 O ATOM 533 CB ASP A 41 3.846 6.009 -11.776 1.00 0.00 C ATOM 534 CG ASP A 41 2.353 6.039 -11.512 1.00 0.00 C ATOM 535 OD1 ASP A 41 1.901 5.333 -10.587 1.00 0.00 O ATOM 536 OD2 ASP A 41 1.637 6.767 -12.232 1.00 0.00 O ATOM 0 H ASP A 41 2.371 3.931 -12.678 1.00 0.00 H new ATOM 0 HA ASP A 41 5.163 4.863 -13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.380 6.186 -10.843 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.109 6.822 -12.453 1.00 0.00 H new ATOM 541 N GLY A 42 3.817 2.863 -10.848 1.00 0.00 N ATOM 542 CA GLY A 42 4.120 1.912 -9.795 1.00 0.00 C ATOM 543 C GLY A 42 4.130 2.551 -8.421 1.00 0.00 C ATOM 544 O GLY A 42 4.586 1.946 -7.450 1.00 0.00 O ATOM 0 H GLY A 42 2.868 2.805 -11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.384 1.108 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.092 1.458 -9.988 1.00 0.00 H new ATOM 548 N TRP A 43 3.628 3.778 -8.338 1.00 0.00 N ATOM 549 CA TRP A 43 3.583 4.501 -7.072 1.00 0.00 C ATOM 550 C TRP A 43 2.144 4.700 -6.610 1.00 0.00 C ATOM 551 O TRP A 43 1.341 5.332 -7.298 1.00 0.00 O ATOM 552 CB TRP A 43 4.279 5.856 -7.209 1.00 0.00 C ATOM 553 CG TRP A 43 5.772 5.751 -7.289 1.00 0.00 C ATOM 554 CD1 TRP A 43 6.554 5.995 -8.382 1.00 0.00 C ATOM 555 CD2 TRP A 43 6.662 5.372 -6.234 1.00 0.00 C ATOM 556 NE1 TRP A 43 7.876 5.791 -8.070 1.00 0.00 N ATOM 557 CE2 TRP A 43 7.969 5.409 -6.758 1.00 0.00 C ATOM 558 CE3 TRP A 43 6.483 5.007 -4.897 1.00 0.00 C ATOM 559 CZ2 TRP A 43 9.088 5.093 -5.991 1.00 0.00 C ATOM 560 CZ3 TRP A 43 7.594 4.694 -4.137 1.00 0.00 C ATOM 561 CH2 TRP A 43 8.883 4.739 -4.685 1.00 0.00 C ATOM 0 H TRP A 43 3.247 4.293 -9.132 1.00 0.00 H new ATOM 0 HA TRP A 43 4.107 3.906 -6.324 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.909 6.358 -8.103 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.011 6.482 -6.358 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.187 6.303 -9.350 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.661 5.905 -8.711 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.494 4.970 -4.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.082 5.126 -6.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.467 4.410 -3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.731 4.489 -4.065 1.00 0.00 H new ATOM 572 N THR A 44 1.821 4.157 -5.440 1.00 0.00 N ATOM 573 CA THR A 44 0.478 4.274 -4.887 1.00 0.00 C ATOM 574 C THR A 44 0.506 4.929 -3.510 1.00 0.00 C ATOM 575 O THR A 44 0.961 4.329 -2.536 1.00 0.00 O ATOM 576 CB THR A 44 -0.206 2.899 -4.775 1.00 0.00 C ATOM 577 OG1 THR A 44 0.081 2.113 -5.938 1.00 0.00 O ATOM 578 CG2 THR A 44 -1.711 3.054 -4.620 1.00 0.00 C ATOM 0 H THR A 44 2.472 3.631 -4.857 1.00 0.00 H new ATOM 0 HA THR A 44 -0.093 4.900 -5.573 1.00 0.00 H new ATOM 0 HB THR A 44 0.184 2.395 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.722 1.620 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.172 2.069 -4.543 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.927 3.627 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.114 3.576 -5.487 1.00 0.00 H new ATOM 586 N ARG A 45 0.015 6.161 -3.436 1.00 0.00 N ATOM 587 CA ARG A 45 -0.016 6.897 -2.177 1.00 0.00 C ATOM 588 C ARG A 45 -1.056 6.308 -1.229 1.00 0.00 C ATOM 589 O ARG A 45 -2.093 5.806 -1.661 1.00 0.00 O ATOM 590 CB ARG A 45 -0.322 8.374 -2.433 1.00 0.00 C ATOM 591 CG ARG A 45 -0.321 9.223 -1.172 1.00 0.00 C ATOM 592 CD ARG A 45 -0.573 10.689 -1.488 1.00 0.00 C ATOM 593 NE ARG A 45 -1.234 11.381 -0.385 1.00 0.00 N ATOM 594 CZ ARG A 45 -1.886 12.530 -0.523 1.00 0.00 C ATOM 595 NH1 ARG A 45 -1.964 13.113 -1.712 1.00 0.00 N ATOM 596 NH2 ARG A 45 -2.462 13.098 0.528 1.00 0.00 N ATOM 0 H ARG A 45 -0.367 6.671 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 45 0.965 6.812 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.414 8.773 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.296 8.456 -2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.087 8.860 -0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.637 9.119 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.375 11.180 -1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.188 10.766 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.193 10.959 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.523 12.679 -2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.465 13.995 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.405 12.653 1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.962 13.980 0.421 1.00 0.00 H new ATOM 610 N VAL A 46 -0.769 6.372 0.068 1.00 0.00 N ATOM 611 CA VAL A 46 -1.679 5.845 1.079 1.00 0.00 C ATOM 612 C VAL A 46 -1.524 6.590 2.400 1.00 0.00 C ATOM 613 O VAL A 46 -0.563 7.336 2.594 1.00 0.00 O ATOM 614 CB VAL A 46 -1.442 4.342 1.318 1.00 0.00 C ATOM 615 CG1 VAL A 46 -1.447 3.584 0.000 1.00 0.00 C ATOM 616 CG2 VAL A 46 -0.136 4.122 2.065 1.00 0.00 C ATOM 0 H VAL A 46 0.086 6.783 0.443 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.691 5.990 0.701 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.255 3.957 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.278 2.524 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.411 3.716 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.656 3.968 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.016 3.055 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.691 4.522 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.177 4.631 3.028 1.00 0.00 H new ATOM 626 N ARG A 47 -2.474 6.383 3.305 1.00 0.00 N ATOM 627 CA ARG A 47 -2.443 7.035 4.608 1.00 0.00 C ATOM 628 C ARG A 47 -2.438 6.004 5.733 1.00 0.00 C ATOM 629 O ARG A 47 -2.911 4.880 5.560 1.00 0.00 O ATOM 630 CB ARG A 47 -3.646 7.968 4.764 1.00 0.00 C ATOM 631 CG ARG A 47 -3.481 8.994 5.873 1.00 0.00 C ATOM 632 CD ARG A 47 -4.822 9.563 6.309 1.00 0.00 C ATOM 633 NE ARG A 47 -4.669 10.639 7.285 1.00 0.00 N ATOM 634 CZ ARG A 47 -4.301 11.875 6.965 1.00 0.00 C ATOM 635 NH1 ARG A 47 -4.051 12.189 5.701 1.00 0.00 N ATOM 636 NH2 ARG A 47 -4.184 12.799 7.909 1.00 0.00 N ATOM 0 H ARG A 47 -3.275 5.769 3.160 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.526 7.621 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.816 8.488 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.535 7.370 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.986 8.532 6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.836 9.803 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.357 9.938 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.431 8.768 6.739 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.855 10.430 8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.141 11.481 4.972 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.769 13.138 5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.377 12.561 8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.901 13.747 7.662 1.00 0.00 H new ATOM 650 N ARG A 48 -1.899 6.394 6.883 1.00 0.00 N ATOM 651 CA ARG A 48 -1.830 5.503 8.035 1.00 0.00 C ATOM 652 C ARG A 48 -2.818 5.934 9.116 1.00 0.00 C ATOM 653 O ARG A 48 -2.913 7.115 9.450 1.00 0.00 O ATOM 654 CB ARG A 48 -0.411 5.481 8.606 1.00 0.00 C ATOM 655 CG ARG A 48 0.589 4.754 7.723 1.00 0.00 C ATOM 656 CD ARG A 48 2.020 5.013 8.170 1.00 0.00 C ATOM 657 NE ARG A 48 2.317 4.377 9.450 1.00 0.00 N ATOM 658 CZ ARG A 48 3.290 4.776 10.261 1.00 0.00 C ATOM 659 NH1 ARG A 48 4.055 5.806 9.927 1.00 0.00 N ATOM 660 NH2 ARG A 48 3.498 4.146 11.410 1.00 0.00 N ATOM 0 H ARG A 48 -1.504 7.321 7.042 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.096 4.500 7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.073 6.506 8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.430 5.005 9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.387 3.683 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.466 5.077 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.709 4.641 7.412 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.185 6.087 8.252 1.00 0.00 H new ATOM 0 HE ARG A 48 1.746 3.582 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.897 6.294 9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.802 6.110 10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.910 3.354 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.246 4.453 12.032 1.00 0.00 H new ATOM 674 N LYS A 49 -3.552 4.968 9.658 1.00 0.00 N ATOM 675 CA LYS A 49 -4.532 5.246 10.701 1.00 0.00 C ATOM 676 C LYS A 49 -4.058 6.379 11.606 1.00 0.00 C ATOM 677 O LYS A 49 -4.833 7.267 11.960 1.00 0.00 O ATOM 678 CB LYS A 49 -4.791 3.988 11.534 1.00 0.00 C ATOM 679 CG LYS A 49 -3.539 3.173 11.811 1.00 0.00 C ATOM 680 CD LYS A 49 -3.853 1.691 11.927 1.00 0.00 C ATOM 681 CE LYS A 49 -4.169 1.299 13.362 1.00 0.00 C ATOM 682 NZ LYS A 49 -4.539 -0.139 13.476 1.00 0.00 N ATOM 0 H LYS A 49 -3.487 3.985 9.392 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.460 5.554 10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.243 4.277 12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.515 3.361 11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.816 3.331 11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.074 3.521 12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.701 1.446 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.004 1.109 11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.304 1.502 13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.987 1.915 13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.747 -0.366 14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.380 -0.328 12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.749 -0.728 13.144 1.00 0.00 H new ATOM 696 N GLU A 50 -2.781 6.341 11.974 1.00 0.00 N ATOM 697 CA GLU A 50 -2.206 7.366 12.837 1.00 0.00 C ATOM 698 C GLU A 50 -2.383 8.753 12.227 1.00 0.00 C ATOM 699 O GLU A 50 -3.120 9.586 12.754 1.00 0.00 O ATOM 700 CB GLU A 50 -0.720 7.088 13.075 1.00 0.00 C ATOM 701 CG GLU A 50 -0.461 6.022 14.127 1.00 0.00 C ATOM 702 CD GLU A 50 -1.304 4.779 13.919 1.00 0.00 C ATOM 703 OE1 GLU A 50 -0.968 3.977 13.023 1.00 0.00 O ATOM 704 OE2 GLU A 50 -2.301 4.609 14.652 1.00 0.00 O ATOM 0 H GLU A 50 -2.126 5.613 11.689 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.732 7.338 13.791 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.262 6.778 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.230 8.013 13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.594 5.748 14.109 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.666 6.434 15.115 1.00 0.00 H new ATOM 711 N GLY A 51 -1.701 8.994 11.111 1.00 0.00 N ATOM 712 CA GLY A 51 -1.796 10.281 10.448 1.00 0.00 C ATOM 713 C GLY A 51 -0.631 10.538 9.511 1.00 0.00 C ATOM 714 O GLY A 51 -0.139 11.662 9.415 1.00 0.00 O ATOM 0 H GLY A 51 -1.085 8.321 10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.728 10.328 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.836 11.071 11.198 1.00 0.00 H new ATOM 718 N GLY A 52 -0.188 9.492 8.820 1.00 0.00 N ATOM 719 CA GLY A 52 0.924 9.631 7.898 1.00 0.00 C ATOM 720 C GLY A 52 0.548 9.259 6.477 1.00 0.00 C ATOM 721 O GLY A 52 -0.163 8.280 6.253 1.00 0.00 O ATOM 0 H GLY A 52 -0.579 8.552 8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.283 10.660 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.748 9.000 8.230 1.00 0.00 H new ATOM 725 N GLU A 53 1.025 10.043 5.515 1.00 0.00 N ATOM 726 CA GLU A 53 0.731 9.791 4.109 1.00 0.00 C ATOM 727 C GLU A 53 1.982 9.970 3.253 1.00 0.00 C ATOM 728 O GLU A 53 2.815 10.833 3.523 1.00 0.00 O ATOM 729 CB GLU A 53 -0.374 10.730 3.620 1.00 0.00 C ATOM 730 CG GLU A 53 -0.015 12.202 3.731 1.00 0.00 C ATOM 731 CD GLU A 53 -0.287 12.766 5.112 1.00 0.00 C ATOM 732 OE1 GLU A 53 -1.462 12.759 5.536 1.00 0.00 O ATOM 733 OE2 GLU A 53 0.675 13.215 5.769 1.00 0.00 O ATOM 0 H GLU A 53 1.616 10.857 5.683 1.00 0.00 H new ATOM 0 HA GLU A 53 0.390 8.760 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.602 10.498 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.280 10.541 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.040 12.334 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.584 12.768 2.993 1.00 0.00 H new ATOM 740 N GLY A 54 2.105 9.145 2.217 1.00 0.00 N ATOM 741 CA GLY A 54 3.255 9.227 1.336 1.00 0.00 C ATOM 742 C GLY A 54 3.142 8.295 0.146 1.00 0.00 C ATOM 743 O GLY A 54 2.182 7.532 0.035 1.00 0.00 O ATOM 0 H GLY A 54 1.429 8.422 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.365 10.252 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.157 8.986 1.898 1.00 0.00 H new ATOM 747 N TYR A 55 4.122 8.358 -0.748 1.00 0.00 N ATOM 748 CA TYR A 55 4.126 7.516 -1.939 1.00 0.00 C ATOM 749 C TYR A 55 4.831 6.191 -1.667 1.00 0.00 C ATOM 750 O TYR A 55 6.016 6.161 -1.335 1.00 0.00 O ATOM 751 CB TYR A 55 4.809 8.242 -3.099 1.00 0.00 C ATOM 752 CG TYR A 55 3.931 9.274 -3.769 1.00 0.00 C ATOM 753 CD1 TYR A 55 3.106 8.929 -4.832 1.00 0.00 C ATOM 754 CD2 TYR A 55 3.927 10.596 -3.340 1.00 0.00 C ATOM 755 CE1 TYR A 55 2.303 9.869 -5.448 1.00 0.00 C ATOM 756 CE2 TYR A 55 3.126 11.542 -3.948 1.00 0.00 C ATOM 757 CZ TYR A 55 2.316 11.174 -5.002 1.00 0.00 C ATOM 758 OH TYR A 55 1.517 12.114 -5.612 1.00 0.00 O ATOM 0 H TYR A 55 4.924 8.983 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 55 3.091 7.307 -2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.712 8.729 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.124 7.508 -3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.092 7.908 -5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.562 10.888 -2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.669 9.584 -6.274 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.134 12.564 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 55 1.644 12.983 -5.177 1.00 0.00 H new ATOM 768 N VAL A 56 4.093 5.095 -1.811 1.00 0.00 N ATOM 769 CA VAL A 56 4.646 3.765 -1.584 1.00 0.00 C ATOM 770 C VAL A 56 4.589 2.922 -2.853 1.00 0.00 C ATOM 771 O VAL A 56 3.734 3.113 -3.717 1.00 0.00 O ATOM 772 CB VAL A 56 3.894 3.030 -0.458 1.00 0.00 C ATOM 773 CG1 VAL A 56 4.090 3.745 0.870 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.416 2.910 -0.795 1.00 0.00 C ATOM 0 H VAL A 56 3.110 5.102 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 56 5.686 3.901 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 56 4.305 2.025 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.552 3.212 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.152 3.774 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.707 4.763 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.900 2.388 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.988 3.905 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.299 2.350 -1.723 1.00 0.00 H new ATOM 784 N PRO A 57 5.522 1.965 -2.969 1.00 0.00 N ATOM 785 CA PRO A 57 5.599 1.072 -4.129 1.00 0.00 C ATOM 786 C PRO A 57 4.438 0.084 -4.178 1.00 0.00 C ATOM 787 O PRO A 57 4.219 -0.680 -3.237 1.00 0.00 O ATOM 788 CB PRO A 57 6.923 0.332 -3.919 1.00 0.00 C ATOM 789 CG PRO A 57 7.152 0.376 -2.448 1.00 0.00 C ATOM 790 CD PRO A 57 6.572 1.681 -1.977 1.00 0.00 C ATOM 0 HA PRO A 57 5.546 1.620 -5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.864 -0.695 -4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.736 0.814 -4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.670 -0.467 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.215 0.316 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.162 1.599 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.324 2.469 -1.951 1.00 0.00 H new ATOM 798 N THR A 58 3.697 0.103 -5.281 1.00 0.00 N ATOM 799 CA THR A 58 2.558 -0.791 -5.452 1.00 0.00 C ATOM 800 C THR A 58 2.951 -2.239 -5.184 1.00 0.00 C ATOM 801 O THR A 58 2.163 -3.016 -4.645 1.00 0.00 O ATOM 802 CB THR A 58 1.970 -0.685 -6.872 1.00 0.00 C ATOM 803 OG1 THR A 58 2.095 0.657 -7.355 1.00 0.00 O ATOM 804 CG2 THR A 58 0.506 -1.099 -6.883 1.00 0.00 C ATOM 0 H THR A 58 3.865 0.728 -6.070 1.00 0.00 H new ATOM 0 HA THR A 58 1.802 -0.483 -4.729 1.00 0.00 H new ATOM 0 HB THR A 58 2.527 -1.358 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.441 1.230 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.112 -1.016 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.417 -2.131 -6.542 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.061 -0.447 -6.219 1.00 0.00 H new ATOM 812 N SER A 59 4.174 -2.596 -5.562 1.00 0.00 N ATOM 813 CA SER A 59 4.670 -3.953 -5.364 1.00 0.00 C ATOM 814 C SER A 59 4.561 -4.363 -3.899 1.00 0.00 C ATOM 815 O SER A 59 4.516 -5.551 -3.577 1.00 0.00 O ATOM 816 CB SER A 59 6.124 -4.059 -5.828 1.00 0.00 C ATOM 817 OG SER A 59 6.237 -3.799 -7.217 1.00 0.00 O ATOM 0 H SER A 59 4.840 -1.964 -6.007 1.00 0.00 H new ATOM 0 HA SER A 59 4.055 -4.629 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.739 -3.352 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.507 -5.056 -5.609 1.00 0.00 H new ATOM 0 HG SER A 59 7.176 -3.871 -7.488 1.00 0.00 H new ATOM 823 N TYR A 60 4.519 -3.372 -3.015 1.00 0.00 N ATOM 824 CA TYR A 60 4.418 -3.629 -1.584 1.00 0.00 C ATOM 825 C TYR A 60 2.991 -3.407 -1.090 1.00 0.00 C ATOM 826 O TYR A 60 2.765 -3.130 0.089 1.00 0.00 O ATOM 827 CB TYR A 60 5.382 -2.725 -0.813 1.00 0.00 C ATOM 828 CG TYR A 60 6.838 -3.066 -1.034 1.00 0.00 C ATOM 829 CD1 TYR A 60 7.402 -2.999 -2.303 1.00 0.00 C ATOM 830 CD2 TYR A 60 7.650 -3.455 0.024 1.00 0.00 C ATOM 831 CE1 TYR A 60 8.732 -3.309 -2.510 1.00 0.00 C ATOM 832 CE2 TYR A 60 8.982 -3.766 -0.174 1.00 0.00 C ATOM 833 CZ TYR A 60 9.518 -3.692 -1.443 1.00 0.00 C ATOM 834 OH TYR A 60 10.843 -4.002 -1.644 1.00 0.00 O ATOM 0 H TYR A 60 4.553 -2.384 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 60 4.687 -4.671 -1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.211 -1.690 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.159 -2.794 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.790 -2.700 -3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.233 -3.515 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.154 -3.252 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.600 -4.065 0.660 1.00 0.00 H new ATOM 0 HH TYR A 60 11.254 -4.251 -0.790 1.00 0.00 H new ATOM 844 N LEU A 61 2.032 -3.532 -2.000 1.00 0.00 N ATOM 845 CA LEU A 61 0.625 -3.346 -1.660 1.00 0.00 C ATOM 846 C LEU A 61 -0.225 -4.484 -2.217 1.00 0.00 C ATOM 847 O LEU A 61 -0.213 -4.750 -3.419 1.00 0.00 O ATOM 848 CB LEU A 61 0.122 -2.007 -2.200 1.00 0.00 C ATOM 849 CG LEU A 61 0.806 -0.758 -1.642 1.00 0.00 C ATOM 850 CD1 LEU A 61 0.236 0.496 -2.286 1.00 0.00 C ATOM 851 CD2 LEU A 61 0.657 -0.699 -0.129 1.00 0.00 C ATOM 0 H LEU A 61 2.202 -3.761 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 61 0.536 -3.349 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.240 -2.008 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.946 -1.934 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 61 1.868 -0.812 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.735 1.374 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.397 0.457 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.833 0.557 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.150 0.196 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.401 -0.669 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.115 -1.582 0.316 1.00 0.00 H new ATOM 863 N ARG A 62 -0.963 -5.151 -1.335 1.00 0.00 N ATOM 864 CA ARG A 62 -1.820 -6.259 -1.739 1.00 0.00 C ATOM 865 C ARG A 62 -3.288 -5.933 -1.480 1.00 0.00 C ATOM 866 O ARG A 62 -3.764 -6.020 -0.348 1.00 0.00 O ATOM 867 CB ARG A 62 -1.429 -7.533 -0.988 1.00 0.00 C ATOM 868 CG ARG A 62 -2.349 -8.710 -1.267 1.00 0.00 C ATOM 869 CD ARG A 62 -2.081 -9.865 -0.314 1.00 0.00 C ATOM 870 NE ARG A 62 -0.817 -10.534 -0.607 1.00 0.00 N ATOM 871 CZ ARG A 62 -0.187 -11.325 0.255 1.00 0.00 C ATOM 872 NH1 ARG A 62 -0.702 -11.545 1.457 1.00 0.00 N ATOM 873 NH2 ARG A 62 0.960 -11.899 -0.085 1.00 0.00 N ATOM 0 H ARG A 62 -0.984 -4.943 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.685 -6.420 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.410 -7.807 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.429 -7.328 0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.387 -8.392 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.211 -9.045 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.065 -9.493 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.896 -10.586 -0.379 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.394 -10.386 -1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.584 -11.107 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.216 -12.153 2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.359 -11.733 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.443 -12.506 0.578 1.00 0.00 H new ATOM 887 N VAL A 63 -4.001 -5.557 -2.537 1.00 0.00 N ATOM 888 CA VAL A 63 -5.414 -5.219 -2.425 1.00 0.00 C ATOM 889 C VAL A 63 -6.153 -6.227 -1.552 1.00 0.00 C ATOM 890 O VAL A 63 -6.256 -7.405 -1.895 1.00 0.00 O ATOM 891 CB VAL A 63 -6.089 -5.162 -3.808 1.00 0.00 C ATOM 892 CG1 VAL A 63 -7.569 -4.839 -3.667 1.00 0.00 C ATOM 893 CG2 VAL A 63 -5.395 -4.142 -4.698 1.00 0.00 C ATOM 0 H VAL A 63 -3.622 -5.479 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.468 -4.234 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.998 -6.141 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.029 -4.803 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.054 -5.610 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.685 -3.872 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.885 -4.115 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.452 -3.157 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.349 -4.422 -4.826 1.00 0.00 H new ATOM 903 N THR A 64 -6.668 -5.757 -0.420 1.00 0.00 N ATOM 904 CA THR A 64 -7.397 -6.617 0.503 1.00 0.00 C ATOM 905 C THR A 64 -8.900 -6.527 0.268 1.00 0.00 C ATOM 906 O THR A 64 -9.479 -5.441 0.297 1.00 0.00 O ATOM 907 CB THR A 64 -7.095 -6.251 1.969 1.00 0.00 C ATOM 908 OG1 THR A 64 -7.912 -7.034 2.847 1.00 0.00 O ATOM 909 CG2 THR A 64 -7.345 -4.772 2.220 1.00 0.00 C ATOM 0 H THR A 64 -6.593 -4.785 -0.121 1.00 0.00 H new ATOM 0 HA THR A 64 -7.063 -7.637 0.315 1.00 0.00 H new ATOM 0 HB THR A 64 -6.044 -6.464 2.165 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.713 -6.797 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.125 -4.537 3.261 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.701 -4.179 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.388 -4.538 2.008 1.00 0.00 H new ATOM 917 N SER A 65 -9.528 -7.675 0.035 1.00 0.00 N ATOM 918 CA SER A 65 -10.965 -7.725 -0.208 1.00 0.00 C ATOM 919 C SER A 65 -11.596 -8.917 0.506 1.00 0.00 C ATOM 920 O SER A 65 -11.033 -10.011 0.526 1.00 0.00 O ATOM 921 CB SER A 65 -11.246 -7.808 -1.710 1.00 0.00 C ATOM 922 OG SER A 65 -10.710 -6.688 -2.391 1.00 0.00 O ATOM 0 H SER A 65 -9.064 -8.583 0.009 1.00 0.00 H new ATOM 0 HA SER A 65 -11.408 -6.811 0.188 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.815 -8.724 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.321 -7.860 -1.880 1.00 0.00 H new ATOM 0 HG SER A 65 -10.901 -6.765 -3.349 1.00 0.00 H new ATOM 928 N GLY A 66 -12.769 -8.696 1.090 1.00 0.00 N ATOM 929 CA GLY A 66 -13.458 -9.759 1.797 1.00 0.00 C ATOM 930 C GLY A 66 -14.778 -10.126 1.150 1.00 0.00 C ATOM 931 O GLY A 66 -14.835 -10.927 0.217 1.00 0.00 O ATOM 0 H GLY A 66 -13.255 -7.799 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.818 -10.640 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.635 -9.450 2.827 1.00 0.00 H new ATOM 935 N PRO A 67 -15.872 -9.532 1.649 1.00 0.00 N ATOM 936 CA PRO A 67 -17.219 -9.786 1.129 1.00 0.00 C ATOM 937 C PRO A 67 -17.420 -9.204 -0.266 1.00 0.00 C ATOM 938 O PRO A 67 -18.495 -9.331 -0.853 1.00 0.00 O ATOM 939 CB PRO A 67 -18.128 -9.082 2.139 1.00 0.00 C ATOM 940 CG PRO A 67 -17.277 -8.015 2.735 1.00 0.00 C ATOM 941 CD PRO A 67 -15.879 -8.566 2.761 1.00 0.00 C ATOM 0 HA PRO A 67 -17.422 -10.852 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -19.008 -8.661 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.485 -9.775 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.325 -7.101 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.615 -7.762 3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.135 -7.782 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.654 -9.047 3.713 1.00 0.00 H new ATOM 949 N SER A 68 -16.380 -8.565 -0.791 1.00 0.00 N ATOM 950 CA SER A 68 -16.445 -7.959 -2.117 1.00 0.00 C ATOM 951 C SER A 68 -17.239 -8.839 -3.077 1.00 0.00 C ATOM 952 O SER A 68 -16.728 -9.833 -3.593 1.00 0.00 O ATOM 953 CB SER A 68 -15.035 -7.730 -2.665 1.00 0.00 C ATOM 954 OG SER A 68 -14.362 -8.959 -2.873 1.00 0.00 O ATOM 0 H SER A 68 -15.482 -8.453 -0.319 1.00 0.00 H new ATOM 0 HA SER A 68 -16.953 -6.999 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.092 -7.180 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.466 -7.114 -1.968 1.00 0.00 H new ATOM 0 HG SER A 68 -14.997 -9.628 -3.203 1.00 0.00 H new ATOM 960 N SER A 69 -18.493 -8.465 -3.313 1.00 0.00 N ATOM 961 CA SER A 69 -19.360 -9.222 -4.209 1.00 0.00 C ATOM 962 C SER A 69 -20.155 -8.285 -5.114 1.00 0.00 C ATOM 963 O SER A 69 -20.324 -7.105 -4.810 1.00 0.00 O ATOM 964 CB SER A 69 -20.316 -10.103 -3.403 1.00 0.00 C ATOM 965 OG SER A 69 -19.719 -11.349 -3.089 1.00 0.00 O ATOM 0 H SER A 69 -18.931 -7.643 -2.897 1.00 0.00 H new ATOM 0 HA SER A 69 -18.732 -9.857 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 69 -20.600 -9.591 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 69 -21.231 -10.268 -3.972 1.00 0.00 H new ATOM 0 HG SER A 69 -20.350 -11.893 -2.572 1.00 0.00 H new ATOM 971 N GLY A 70 -20.641 -8.822 -6.229 1.00 0.00 N ATOM 972 CA GLY A 70 -21.412 -8.021 -7.163 1.00 0.00 C ATOM 973 C GLY A 70 -22.715 -7.530 -6.566 1.00 0.00 C ATOM 974 O GLY A 70 -23.790 -7.791 -7.107 1.00 0.00 O ATOM 0 H GLY A 70 -20.515 -9.797 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -20.816 -7.165 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -21.624 -8.611 -8.055 1.00 0.00 H new TER 978 GLY A 70