USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.12) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0197 (180deg=-0.21) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0243 (180deg=-0.491) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -51:sc= 0.173 USER MOD Single : A 17 LYS NZ :NH3+ -166:sc=-0.000258 (180deg=-0.0899) USER MOD Single : A 20 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 25 ASN : amide:sc= -2.44 K(o=-2.4,f=-6!) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0596) USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= 0.0147 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 44 SER OG : rot 96:sc= 0.572 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0.684 (180deg=0.589) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0346) USER MOD Single : A 48 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.6) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.0507 (180deg=-0.359) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.087 -1.660 -1.136 1.00 52.24 N ATOM 2 CA MET A 1 2.027 -1.105 -0.170 1.00 2.50 C ATOM 3 C MET A 1 3.466 -1.301 -0.637 1.00 0.01 C ATOM 4 O MET A 1 4.331 -1.702 0.141 1.00 63.23 O ATOM 5 CB MET A 1 1.829 -1.757 1.199 1.00 24.54 C ATOM 6 CG MET A 1 1.899 -3.276 1.165 1.00 52.55 C ATOM 7 SD MET A 1 1.979 -4.005 2.811 1.00 23.24 S ATOM 8 CE MET A 1 1.602 -5.717 2.442 1.00 12.32 C ATOM 0 H1 MET A 1 0.126 -1.638 -0.738 1.00 52.24 H new ATOM 0 H2 MET A 1 1.113 -1.096 -2.009 1.00 52.24 H new ATOM 0 H3 MET A 1 1.350 -2.643 -1.351 1.00 52.24 H new ATOM 0 HA MET A 1 1.834 -0.036 -0.086 1.00 2.50 H new ATOM 0 HB2 MET A 1 2.589 -1.382 1.884 1.00 24.54 H new ATOM 0 HB3 MET A 1 0.861 -1.455 1.600 1.00 24.54 H new ATOM 0 HG2 MET A 1 1.025 -3.664 0.642 1.00 52.55 H new ATOM 0 HG3 MET A 1 2.775 -3.583 0.593 1.00 52.55 H new ATOM 0 HE1 MET A 1 1.614 -6.299 3.364 1.00 12.32 H new ATOM 0 HE2 MET A 1 0.615 -5.782 1.984 1.00 12.32 H new ATOM 0 HE3 MET A 1 2.348 -6.114 1.753 1.00 12.32 H new ATOM 18 N ALA A 2 3.714 -1.016 -1.911 1.00 41.00 N ATOM 19 CA ALA A 2 5.048 -1.160 -2.480 1.00 43.22 C ATOM 20 C ALA A 2 5.949 -0.001 -2.067 1.00 63.01 C ATOM 21 O ALA A 2 6.373 0.797 -2.902 1.00 60.21 O ATOM 22 CB ALA A 2 4.968 -1.254 -3.997 1.00 12.33 C ATOM 0 H ALA A 2 3.008 -0.684 -2.569 1.00 41.00 H new ATOM 0 HA ALA A 2 5.484 -2.081 -2.092 1.00 43.22 H new ATOM 0 HB1 ALA A 2 5.972 -1.361 -4.408 1.00 12.33 H new ATOM 0 HB2 ALA A 2 4.367 -2.119 -4.277 1.00 12.33 H new ATOM 0 HB3 ALA A 2 4.508 -0.349 -4.394 1.00 12.33 H new ATOM 28 N GLY A 3 6.238 0.086 -0.772 1.00 71.20 N ATOM 29 CA GLY A 3 7.086 1.151 -0.271 1.00 4.21 C ATOM 30 C GLY A 3 8.558 0.888 -0.523 1.00 54.04 C ATOM 31 O GLY A 3 9.375 1.808 -0.488 1.00 63.21 O ATOM 0 H GLY A 3 5.900 -0.562 -0.061 1.00 71.20 H new ATOM 0 HA2 GLY A 3 6.802 2.091 -0.745 1.00 4.21 H new ATOM 0 HA3 GLY A 3 6.920 1.271 0.800 1.00 4.21 H new ATOM 35 N PHE A 4 8.897 -0.372 -0.778 1.00 13.55 N ATOM 36 CA PHE A 4 10.280 -0.754 -1.034 1.00 43.12 C ATOM 37 C PHE A 4 10.893 0.120 -2.125 1.00 74.00 C ATOM 38 O PHE A 4 11.884 0.815 -1.897 1.00 14.04 O ATOM 39 CB PHE A 4 10.358 -2.227 -1.442 1.00 15.34 C ATOM 40 CG PHE A 4 11.717 -2.645 -1.924 1.00 2.21 C ATOM 41 CD1 PHE A 4 12.688 -3.059 -1.026 1.00 41.14 C ATOM 42 CD2 PHE A 4 12.024 -2.623 -3.275 1.00 25.12 C ATOM 43 CE1 PHE A 4 13.940 -3.445 -1.467 1.00 2.42 C ATOM 44 CE2 PHE A 4 13.275 -3.008 -3.721 1.00 74.11 C ATOM 45 CZ PHE A 4 14.234 -3.418 -2.816 1.00 30.20 C ATOM 0 H PHE A 4 8.233 -1.145 -0.813 1.00 13.55 H new ATOM 0 HA PHE A 4 10.847 -0.608 -0.114 1.00 43.12 H new ATOM 0 HB2 PHE A 4 10.077 -2.847 -0.591 1.00 15.34 H new ATOM 0 HB3 PHE A 4 9.628 -2.417 -2.229 1.00 15.34 H new ATOM 0 HD1 PHE A 4 12.464 -3.080 0.030 1.00 41.14 H new ATOM 0 HD2 PHE A 4 11.278 -2.302 -3.987 1.00 25.12 H new ATOM 0 HE1 PHE A 4 14.687 -3.767 -0.757 1.00 2.42 H new ATOM 0 HE2 PHE A 4 13.502 -2.988 -4.777 1.00 74.11 H new ATOM 0 HZ PHE A 4 15.212 -3.717 -3.163 1.00 30.20 H new ATOM 55 N LEU A 5 10.296 0.079 -3.311 1.00 43.34 N ATOM 56 CA LEU A 5 10.782 0.867 -4.439 1.00 62.53 C ATOM 57 C LEU A 5 10.797 2.353 -4.100 1.00 14.54 C ATOM 58 O LEU A 5 11.534 3.133 -4.703 1.00 64.54 O ATOM 59 CB LEU A 5 9.909 0.622 -5.671 1.00 61.33 C ATOM 60 CG LEU A 5 10.221 -0.642 -6.474 1.00 55.23 C ATOM 61 CD1 LEU A 5 8.936 -1.306 -6.944 1.00 53.35 C ATOM 62 CD2 LEU A 5 11.118 -0.313 -7.659 1.00 33.43 C ATOM 0 H LEU A 5 9.475 -0.491 -3.517 1.00 43.34 H new ATOM 0 HA LEU A 5 11.803 0.553 -4.656 1.00 62.53 H new ATOM 0 HB2 LEU A 5 8.868 0.577 -5.351 1.00 61.33 H new ATOM 0 HB3 LEU A 5 10.002 1.482 -6.334 1.00 61.33 H new ATOM 0 HG LEU A 5 10.751 -1.340 -5.826 1.00 55.23 H new ATOM 0 HD11 LEU A 5 9.177 -2.203 -7.514 1.00 53.35 H new ATOM 0 HD12 LEU A 5 8.329 -1.577 -6.080 1.00 53.35 H new ATOM 0 HD13 LEU A 5 8.379 -0.614 -7.576 1.00 53.35 H new ATOM 0 HD21 LEU A 5 11.330 -1.224 -8.219 1.00 33.43 H new ATOM 0 HD22 LEU A 5 10.615 0.403 -8.308 1.00 33.43 H new ATOM 0 HD23 LEU A 5 12.053 0.117 -7.299 1.00 33.43 H new ATOM 74 N LYS A 6 9.978 2.741 -3.127 1.00 72.25 N ATOM 75 CA LYS A 6 9.898 4.134 -2.703 1.00 72.44 C ATOM 76 C LYS A 6 11.065 4.492 -1.790 1.00 3.14 C ATOM 77 O LYS A 6 11.602 5.598 -1.857 1.00 25.22 O ATOM 78 CB LYS A 6 8.573 4.393 -1.982 1.00 43.31 C ATOM 79 CG LYS A 6 7.364 3.836 -2.712 1.00 54.23 C ATOM 80 CD LYS A 6 7.128 4.555 -4.030 1.00 60.22 C ATOM 81 CE LYS A 6 6.484 5.916 -3.815 1.00 75.35 C ATOM 82 NZ LYS A 6 5.067 5.795 -3.374 1.00 34.14 N ATOM 0 H LYS A 6 9.360 2.109 -2.617 1.00 72.25 H new ATOM 0 HA LYS A 6 9.950 4.763 -3.592 1.00 72.44 H new ATOM 0 HB2 LYS A 6 8.619 3.954 -0.986 1.00 43.31 H new ATOM 0 HB3 LYS A 6 8.444 5.467 -1.851 1.00 43.31 H new ATOM 0 HG2 LYS A 6 7.509 2.772 -2.898 1.00 54.23 H new ATOM 0 HG3 LYS A 6 6.481 3.932 -2.081 1.00 54.23 H new ATOM 0 HD2 LYS A 6 8.076 4.679 -4.553 1.00 60.22 H new ATOM 0 HD3 LYS A 6 6.489 3.946 -4.669 1.00 60.22 H new ATOM 0 HE2 LYS A 6 7.051 6.472 -3.068 1.00 75.35 H new ATOM 0 HE3 LYS A 6 6.529 6.489 -4.741 1.00 75.35 H new ATOM 0 HZ1 LYS A 6 4.586 6.709 -3.498 1.00 34.14 H new ATOM 0 HZ2 LYS A 6 4.586 5.071 -3.945 1.00 34.14 H new ATOM 0 HZ3 LYS A 6 5.038 5.521 -2.371 1.00 34.14 H new ATOM 96 N VAL A 7 11.454 3.550 -0.937 1.00 24.33 N ATOM 97 CA VAL A 7 12.560 3.765 -0.011 1.00 42.52 C ATOM 98 C VAL A 7 13.898 3.448 -0.670 1.00 30.32 C ATOM 99 O VAL A 7 14.954 3.846 -0.179 1.00 2.51 O ATOM 100 CB VAL A 7 12.407 2.904 1.257 1.00 42.44 C ATOM 101 CG1 VAL A 7 11.186 3.338 2.053 1.00 41.50 C ATOM 102 CG2 VAL A 7 12.319 1.430 0.892 1.00 45.25 C ATOM 0 H VAL A 7 11.019 2.630 -0.868 1.00 24.33 H new ATOM 0 HA VAL A 7 12.537 4.818 0.270 1.00 42.52 H new ATOM 0 HB VAL A 7 13.288 3.048 1.882 1.00 42.44 H new ATOM 0 HG11 VAL A 7 11.094 2.718 2.945 1.00 41.50 H new ATOM 0 HG12 VAL A 7 11.295 4.382 2.346 1.00 41.50 H new ATOM 0 HG13 VAL A 7 10.292 3.225 1.439 1.00 41.50 H new ATOM 0 HG21 VAL A 7 12.211 0.836 1.800 1.00 45.25 H new ATOM 0 HG22 VAL A 7 11.456 1.266 0.246 1.00 45.25 H new ATOM 0 HG23 VAL A 7 13.226 1.130 0.368 1.00 45.25 H new ATOM 112 N VAL A 8 13.846 2.727 -1.786 1.00 12.14 N ATOM 113 CA VAL A 8 15.053 2.357 -2.514 1.00 24.55 C ATOM 114 C VAL A 8 15.392 3.393 -3.579 1.00 63.44 C ATOM 115 O VAL A 8 16.563 3.657 -3.851 1.00 1.44 O ATOM 116 CB VAL A 8 14.904 0.977 -3.183 1.00 4.41 C ATOM 117 CG1 VAL A 8 16.151 0.636 -3.985 1.00 74.43 C ATOM 118 CG2 VAL A 8 14.622 -0.093 -2.140 1.00 32.04 C ATOM 0 H VAL A 8 12.980 2.388 -2.205 1.00 12.14 H new ATOM 0 HA VAL A 8 15.862 2.313 -1.785 1.00 24.55 H new ATOM 0 HB VAL A 8 14.058 1.014 -3.869 1.00 4.41 H new ATOM 0 HG11 VAL A 8 16.028 -0.342 -4.450 1.00 74.43 H new ATOM 0 HG12 VAL A 8 16.304 1.389 -4.758 1.00 74.43 H new ATOM 0 HG13 VAL A 8 17.016 0.616 -3.322 1.00 74.43 H new ATOM 0 HG21 VAL A 8 14.520 -1.061 -2.630 1.00 32.04 H new ATOM 0 HG22 VAL A 8 15.446 -0.132 -1.427 1.00 32.04 H new ATOM 0 HG23 VAL A 8 13.698 0.147 -1.614 1.00 32.04 H new ATOM 128 N GLN A 9 14.360 3.975 -4.180 1.00 13.53 N ATOM 129 CA GLN A 9 14.549 4.983 -5.217 1.00 13.15 C ATOM 130 C GLN A 9 15.389 6.146 -4.699 1.00 30.10 C ATOM 131 O GLN A 9 16.030 6.856 -5.475 1.00 22.12 O ATOM 132 CB GLN A 9 13.195 5.497 -5.711 1.00 23.32 C ATOM 133 CG GLN A 9 12.346 6.124 -4.617 1.00 43.20 C ATOM 134 CD GLN A 9 11.390 7.172 -5.150 1.00 14.51 C ATOM 135 OE1 GLN A 9 10.227 6.882 -5.433 1.00 31.11 O ATOM 136 NE2 GLN A 9 11.875 8.401 -5.289 1.00 74.35 N ATOM 0 H GLN A 9 13.385 3.766 -3.967 1.00 13.53 H new ATOM 0 HA GLN A 9 15.079 4.518 -6.048 1.00 13.15 H new ATOM 0 HB2 GLN A 9 13.360 6.233 -6.498 1.00 23.32 H new ATOM 0 HB3 GLN A 9 12.643 4.670 -6.159 1.00 23.32 H new ATOM 0 HG2 GLN A 9 11.778 5.343 -4.111 1.00 43.20 H new ATOM 0 HG3 GLN A 9 12.998 6.578 -3.871 1.00 43.20 H new ATOM 0 HE21 GLN A 9 12.845 8.597 -5.042 1.00 74.35 H new ATOM 0 HE22 GLN A 9 11.277 9.148 -5.642 1.00 74.35 H new ATOM 145 N LEU A 10 15.381 6.336 -3.384 1.00 62.52 N ATOM 146 CA LEU A 10 16.143 7.413 -2.762 1.00 52.11 C ATOM 147 C LEU A 10 17.638 7.117 -2.803 1.00 25.32 C ATOM 148 O LEU A 10 18.457 8.020 -2.979 1.00 11.34 O ATOM 149 CB LEU A 10 15.690 7.614 -1.315 1.00 4.42 C ATOM 150 CG LEU A 10 14.554 8.615 -1.100 1.00 5.23 C ATOM 151 CD1 LEU A 10 14.963 9.998 -1.583 1.00 11.22 C ATOM 152 CD2 LEU A 10 13.292 8.151 -1.812 1.00 24.32 C ATOM 0 H LEU A 10 14.855 5.758 -2.728 1.00 62.52 H new ATOM 0 HA LEU A 10 15.958 8.328 -3.325 1.00 52.11 H new ATOM 0 HB2 LEU A 10 15.377 6.649 -0.916 1.00 4.42 H new ATOM 0 HB3 LEU A 10 16.549 7.939 -0.728 1.00 4.42 H new ATOM 0 HG LEU A 10 14.344 8.673 -0.032 1.00 5.23 H new ATOM 0 HD11 LEU A 10 14.142 10.697 -1.422 1.00 11.22 H new ATOM 0 HD12 LEU A 10 15.839 10.333 -1.028 1.00 11.22 H new ATOM 0 HD13 LEU A 10 15.201 9.957 -2.646 1.00 11.22 H new ATOM 0 HD21 LEU A 10 12.494 8.876 -1.648 1.00 24.32 H new ATOM 0 HD22 LEU A 10 13.488 8.063 -2.881 1.00 24.32 H new ATOM 0 HD23 LEU A 10 12.988 7.181 -1.418 1.00 24.32 H new ATOM 164 N LEU A 11 17.989 5.846 -2.641 1.00 71.43 N ATOM 165 CA LEU A 11 19.387 5.429 -2.662 1.00 33.31 C ATOM 166 C LEU A 11 20.052 5.820 -3.977 1.00 45.32 C ATOM 167 O LEU A 11 21.273 5.955 -4.050 1.00 44.42 O ATOM 168 CB LEU A 11 19.492 3.917 -2.454 1.00 73.23 C ATOM 169 CG LEU A 11 19.399 3.430 -1.008 1.00 35.12 C ATOM 170 CD1 LEU A 11 20.501 4.050 -0.164 1.00 23.12 C ATOM 171 CD2 LEU A 11 18.031 3.753 -0.423 1.00 43.22 C ATOM 0 H LEU A 11 17.325 5.086 -2.494 1.00 71.43 H new ATOM 0 HA LEU A 11 19.905 5.938 -1.849 1.00 33.31 H new ATOM 0 HB2 LEU A 11 18.702 3.436 -3.030 1.00 73.23 H new ATOM 0 HB3 LEU A 11 20.441 3.578 -2.870 1.00 73.23 H new ATOM 0 HG LEU A 11 19.529 2.348 -1.000 1.00 35.12 H new ATOM 0 HD11 LEU A 11 20.419 3.692 0.862 1.00 23.12 H new ATOM 0 HD12 LEU A 11 21.472 3.768 -0.570 1.00 23.12 H new ATOM 0 HD13 LEU A 11 20.403 5.135 -0.178 1.00 23.12 H new ATOM 0 HD21 LEU A 11 17.983 3.399 0.607 1.00 43.22 H new ATOM 0 HD22 LEU A 11 17.872 4.831 -0.444 1.00 43.22 H new ATOM 0 HD23 LEU A 11 17.258 3.260 -1.012 1.00 43.22 H new ATOM 183 N ALA A 12 19.241 6.003 -5.014 1.00 0.03 N ATOM 184 CA ALA A 12 19.751 6.383 -6.325 1.00 52.52 C ATOM 185 C ALA A 12 20.661 7.603 -6.228 1.00 22.13 C ATOM 186 O ALA A 12 21.668 7.697 -6.930 1.00 22.11 O ATOM 187 CB ALA A 12 18.599 6.658 -7.280 1.00 75.32 C ATOM 0 H ALA A 12 18.228 5.894 -4.971 1.00 0.03 H new ATOM 0 HA ALA A 12 20.340 5.552 -6.712 1.00 52.52 H new ATOM 0 HB1 ALA A 12 18.995 6.941 -8.255 1.00 75.32 H new ATOM 0 HB2 ALA A 12 17.989 5.761 -7.382 1.00 75.32 H new ATOM 0 HB3 ALA A 12 17.987 7.470 -6.887 1.00 75.32 H new ATOM 193 N LYS A 13 20.301 8.536 -5.353 1.00 53.13 N ATOM 194 CA LYS A 13 21.085 9.751 -5.163 1.00 31.43 C ATOM 195 C LYS A 13 22.417 9.438 -4.489 1.00 31.15 C ATOM 196 O LYS A 13 23.422 10.105 -4.738 1.00 74.53 O ATOM 197 CB LYS A 13 20.301 10.762 -4.323 1.00 61.20 C ATOM 198 CG LYS A 13 20.232 10.405 -2.848 1.00 65.43 C ATOM 199 CD LYS A 13 21.341 11.081 -2.059 1.00 32.43 C ATOM 200 CE LYS A 13 20.901 12.437 -1.530 1.00 13.03 C ATOM 201 NZ LYS A 13 21.193 13.531 -2.497 1.00 32.01 N ATOM 0 H LYS A 13 19.471 8.474 -4.764 1.00 53.13 H new ATOM 0 HA LYS A 13 21.286 10.182 -6.144 1.00 31.43 H new ATOM 0 HB2 LYS A 13 20.761 11.744 -4.429 1.00 61.20 H new ATOM 0 HB3 LYS A 13 19.288 10.841 -4.717 1.00 61.20 H new ATOM 0 HG2 LYS A 13 19.264 10.703 -2.445 1.00 65.43 H new ATOM 0 HG3 LYS A 13 20.307 9.324 -2.730 1.00 65.43 H new ATOM 0 HD2 LYS A 13 21.638 10.443 -1.226 1.00 32.43 H new ATOM 0 HD3 LYS A 13 22.218 11.204 -2.694 1.00 32.43 H new ATOM 0 HE2 LYS A 13 19.832 12.415 -1.319 1.00 13.03 H new ATOM 0 HE3 LYS A 13 21.408 12.641 -0.587 1.00 13.03 H new ATOM 0 HZ1 LYS A 13 21.186 14.445 -2.000 1.00 32.01 H new ATOM 0 HZ2 LYS A 13 22.128 13.376 -2.924 1.00 32.01 H new ATOM 0 HZ3 LYS A 13 20.468 13.537 -3.243 1.00 32.01 H new ATOM 215 N TYR A 14 22.418 8.420 -3.635 1.00 1.20 N ATOM 216 CA TYR A 14 23.627 8.020 -2.924 1.00 52.13 C ATOM 217 C TYR A 14 24.583 7.276 -3.852 1.00 1.42 C ATOM 218 O TYR A 14 25.798 7.299 -3.658 1.00 13.04 O ATOM 219 CB TYR A 14 23.271 7.138 -1.727 1.00 30.24 C ATOM 220 CG TYR A 14 22.874 7.920 -0.495 1.00 52.11 C ATOM 221 CD1 TYR A 14 23.834 8.503 0.322 1.00 45.34 C ATOM 222 CD2 TYR A 14 21.537 8.077 -0.149 1.00 21.30 C ATOM 223 CE1 TYR A 14 23.476 9.218 1.448 1.00 51.10 C ATOM 224 CE2 TYR A 14 21.169 8.791 0.975 1.00 43.12 C ATOM 225 CZ TYR A 14 22.142 9.359 1.770 1.00 3.43 C ATOM 226 OH TYR A 14 21.781 10.072 2.891 1.00 70.03 O ATOM 0 H TYR A 14 21.595 7.857 -3.418 1.00 1.20 H new ATOM 0 HA TYR A 14 24.124 8.922 -2.567 1.00 52.13 H new ATOM 0 HB2 TYR A 14 22.452 6.475 -2.006 1.00 30.24 H new ATOM 0 HB3 TYR A 14 24.125 6.505 -1.486 1.00 30.24 H new ATOM 0 HD1 TYR A 14 24.879 8.395 0.072 1.00 45.34 H new ATOM 0 HD2 TYR A 14 20.773 7.633 -0.770 1.00 21.30 H new ATOM 0 HE1 TYR A 14 24.236 9.664 2.073 1.00 51.10 H new ATOM 0 HE2 TYR A 14 20.125 8.904 1.229 1.00 43.12 H new ATOM 0 HH TYR A 14 20.805 10.077 2.975 1.00 70.03 H new ATOM 236 N GLY A 15 24.024 6.617 -4.862 1.00 43.45 N ATOM 237 CA GLY A 15 24.840 5.876 -5.806 1.00 44.12 C ATOM 238 C GLY A 15 24.355 4.453 -6.000 1.00 2.23 C ATOM 239 O GLY A 15 23.323 4.062 -5.454 1.00 4.32 O ATOM 0 H GLY A 15 23.021 6.583 -5.043 1.00 43.45 H new ATOM 0 HA2 GLY A 15 24.838 6.391 -6.766 1.00 44.12 H new ATOM 0 HA3 GLY A 15 25.872 5.860 -5.455 1.00 44.12 H new ATOM 243 N SER A 16 25.100 3.677 -6.780 1.00 73.34 N ATOM 244 CA SER A 16 24.736 2.290 -7.049 1.00 45.33 C ATOM 245 C SER A 16 25.473 1.343 -6.107 1.00 11.23 C ATOM 246 O SER A 16 25.696 0.176 -6.429 1.00 44.24 O ATOM 247 CB SER A 16 25.053 1.930 -8.502 1.00 42.51 C ATOM 248 OG SER A 16 24.359 0.761 -8.901 1.00 51.30 O ATOM 0 H SER A 16 25.959 3.984 -7.237 1.00 73.34 H new ATOM 0 HA SER A 16 23.665 2.182 -6.881 1.00 45.33 H new ATOM 0 HB2 SER A 16 24.779 2.760 -9.154 1.00 42.51 H new ATOM 0 HB3 SER A 16 26.126 1.776 -8.616 1.00 42.51 H new ATOM 0 HG SER A 16 24.508 0.051 -8.242 1.00 51.30 H new ATOM 254 N LYS A 17 25.848 1.854 -4.939 1.00 41.21 N ATOM 255 CA LYS A 17 26.558 1.056 -3.947 1.00 4.12 C ATOM 256 C LYS A 17 25.686 0.811 -2.720 1.00 0.12 C ATOM 257 O LYS A 17 25.753 -0.251 -2.101 1.00 54.25 O ATOM 258 CB LYS A 17 27.855 1.756 -3.533 1.00 32.15 C ATOM 259 CG LYS A 17 28.630 1.013 -2.458 1.00 44.24 C ATOM 260 CD LYS A 17 30.045 1.551 -2.320 1.00 31.35 C ATOM 261 CE LYS A 17 30.982 0.924 -3.341 1.00 11.51 C ATOM 262 NZ LYS A 17 31.321 -0.483 -2.993 1.00 23.04 N ATOM 0 H LYS A 17 25.672 2.818 -4.656 1.00 41.21 H new ATOM 0 HA LYS A 17 26.799 0.093 -4.397 1.00 4.12 H new ATOM 0 HB2 LYS A 17 28.490 1.875 -4.411 1.00 32.15 H new ATOM 0 HB3 LYS A 17 27.619 2.757 -3.173 1.00 32.15 H new ATOM 0 HG2 LYS A 17 28.110 1.104 -1.504 1.00 44.24 H new ATOM 0 HG3 LYS A 17 28.665 -0.049 -2.701 1.00 44.24 H new ATOM 0 HD2 LYS A 17 30.038 2.633 -2.448 1.00 31.35 H new ATOM 0 HD3 LYS A 17 30.415 1.351 -1.314 1.00 31.35 H new ATOM 0 HE2 LYS A 17 30.517 0.952 -4.326 1.00 11.51 H new ATOM 0 HE3 LYS A 17 31.897 1.513 -3.404 1.00 11.51 H new ATOM 0 HZ1 LYS A 17 32.131 -0.796 -3.565 1.00 23.04 H new ATOM 0 HZ2 LYS A 17 31.566 -0.542 -1.984 1.00 23.04 H new ATOM 0 HZ3 LYS A 17 30.503 -1.095 -3.187 1.00 23.04 H new ATOM 276 N ALA A 18 24.868 1.800 -2.374 1.00 73.42 N ATOM 277 CA ALA A 18 23.980 1.689 -1.224 1.00 12.35 C ATOM 278 C ALA A 18 22.633 1.097 -1.624 1.00 60.12 C ATOM 279 O ALA A 18 21.928 0.517 -0.798 1.00 61.01 O ATOM 280 CB ALA A 18 23.787 3.051 -0.573 1.00 41.21 C ATOM 0 H ALA A 18 24.802 2.687 -2.874 1.00 73.42 H new ATOM 0 HA ALA A 18 24.443 1.015 -0.503 1.00 12.35 H new ATOM 0 HB1 ALA A 18 23.121 2.953 0.285 1.00 41.21 H new ATOM 0 HB2 ALA A 18 24.752 3.436 -0.242 1.00 41.21 H new ATOM 0 HB3 ALA A 18 23.350 3.741 -1.295 1.00 41.21 H new ATOM 286 N VAL A 19 22.281 1.247 -2.897 1.00 53.21 N ATOM 287 CA VAL A 19 21.018 0.727 -3.407 1.00 70.34 C ATOM 288 C VAL A 19 21.099 -0.777 -3.645 1.00 23.12 C ATOM 289 O VAL A 19 20.102 -1.488 -3.526 1.00 61.31 O ATOM 290 CB VAL A 19 20.614 1.422 -4.721 1.00 64.44 C ATOM 291 CG1 VAL A 19 21.581 1.057 -5.837 1.00 64.34 C ATOM 292 CG2 VAL A 19 19.187 1.056 -5.100 1.00 43.04 C ATOM 0 H VAL A 19 22.853 1.724 -3.594 1.00 53.21 H new ATOM 0 HA VAL A 19 20.262 0.932 -2.649 1.00 70.34 H new ATOM 0 HB VAL A 19 20.660 2.501 -4.571 1.00 64.44 H new ATOM 0 HG11 VAL A 19 21.280 1.557 -6.757 1.00 64.34 H new ATOM 0 HG12 VAL A 19 22.588 1.374 -5.564 1.00 64.34 H new ATOM 0 HG13 VAL A 19 21.569 -0.022 -5.990 1.00 64.34 H new ATOM 0 HG21 VAL A 19 18.918 1.556 -6.031 1.00 43.04 H new ATOM 0 HG22 VAL A 19 19.111 -0.023 -5.233 1.00 43.04 H new ATOM 0 HG23 VAL A 19 18.508 1.373 -4.309 1.00 43.04 H new ATOM 302 N GLN A 20 22.294 -1.254 -3.980 1.00 52.11 N ATOM 303 CA GLN A 20 22.505 -2.674 -4.234 1.00 71.14 C ATOM 304 C GLN A 20 22.189 -3.502 -2.993 1.00 64.11 C ATOM 305 O GLN A 20 21.715 -4.634 -3.094 1.00 45.32 O ATOM 306 CB GLN A 20 23.947 -2.926 -4.677 1.00 5.43 C ATOM 307 CG GLN A 20 24.149 -4.268 -5.361 1.00 33.11 C ATOM 308 CD GLN A 20 23.245 -4.451 -6.564 1.00 61.13 C ATOM 309 OE1 GLN A 20 23.286 -3.665 -7.511 1.00 13.41 O ATOM 310 NE2 GLN A 20 22.423 -5.493 -6.534 1.00 75.13 N ATOM 0 H GLN A 20 23.130 -0.678 -4.082 1.00 52.11 H new ATOM 0 HA GLN A 20 21.829 -2.979 -5.033 1.00 71.14 H new ATOM 0 HB2 GLN A 20 24.253 -2.131 -5.357 1.00 5.43 H new ATOM 0 HB3 GLN A 20 24.601 -2.870 -3.807 1.00 5.43 H new ATOM 0 HG2 GLN A 20 25.189 -4.359 -5.675 1.00 33.11 H new ATOM 0 HG3 GLN A 20 23.962 -5.068 -4.645 1.00 33.11 H new ATOM 0 HE21 GLN A 20 22.422 -6.119 -5.729 1.00 75.13 H new ATOM 0 HE22 GLN A 20 21.792 -5.668 -7.316 1.00 75.13 H new ATOM 319 N TRP A 21 22.456 -2.931 -1.824 1.00 74.11 N ATOM 320 CA TRP A 21 22.200 -3.617 -0.563 1.00 22.43 C ATOM 321 C TRP A 21 20.744 -4.060 -0.469 1.00 1.43 C ATOM 322 O TRP A 21 20.453 -5.252 -0.375 1.00 52.42 O ATOM 323 CB TRP A 21 22.547 -2.707 0.616 1.00 13.33 C ATOM 324 CG TRP A 21 22.573 -3.423 1.933 1.00 61.14 C ATOM 325 CD1 TRP A 21 23.438 -4.410 2.312 1.00 42.55 C ATOM 326 CD2 TRP A 21 21.694 -3.210 3.042 1.00 12.31 C ATOM 327 NE1 TRP A 21 23.150 -4.822 3.590 1.00 34.30 N ATOM 328 CE2 TRP A 21 22.084 -4.101 4.061 1.00 63.15 C ATOM 329 CE3 TRP A 21 20.616 -2.351 3.275 1.00 21.24 C ATOM 330 CZ2 TRP A 21 21.433 -4.157 5.290 1.00 24.31 C ATOM 331 CZ3 TRP A 21 19.971 -2.408 4.496 1.00 20.41 C ATOM 332 CH2 TRP A 21 20.381 -3.306 5.491 1.00 5.52 C ATOM 0 H TRP A 21 22.849 -1.995 -1.723 1.00 74.11 H new ATOM 0 HA TRP A 21 22.832 -4.504 -0.526 1.00 22.43 H new ATOM 0 HB2 TRP A 21 23.521 -2.251 0.439 1.00 13.33 H new ATOM 0 HB3 TRP A 21 21.820 -1.896 0.666 1.00 13.33 H new ATOM 0 HD1 TRP A 21 24.232 -4.808 1.697 1.00 42.55 H new ATOM 0 HE1 TRP A 21 23.649 -5.547 4.105 1.00 34.30 H new ATOM 0 HE3 TRP A 21 20.293 -1.655 2.515 1.00 21.24 H new ATOM 0 HZ2 TRP A 21 21.747 -4.848 6.058 1.00 24.31 H new ATOM 0 HZ3 TRP A 21 19.137 -1.749 4.687 1.00 20.41 H new ATOM 0 HH2 TRP A 21 19.856 -3.326 6.435 1.00 5.52 H new ATOM 343 N ALA A 22 19.833 -3.092 -0.494 1.00 64.03 N ATOM 344 CA ALA A 22 18.407 -3.383 -0.414 1.00 44.23 C ATOM 345 C ALA A 22 18.002 -4.429 -1.447 1.00 33.44 C ATOM 346 O ALA A 22 17.375 -5.435 -1.112 1.00 4.24 O ATOM 347 CB ALA A 22 17.597 -2.109 -0.605 1.00 4.00 C ATOM 0 H ALA A 22 20.058 -2.100 -0.569 1.00 64.03 H new ATOM 0 HA ALA A 22 18.199 -3.788 0.576 1.00 44.23 H new ATOM 0 HB1 ALA A 22 16.534 -2.341 -0.543 1.00 4.00 H new ATOM 0 HB2 ALA A 22 17.858 -1.392 0.173 1.00 4.00 H new ATOM 0 HB3 ALA A 22 17.818 -1.680 -1.582 1.00 4.00 H new ATOM 353 N TRP A 23 18.362 -4.186 -2.701 1.00 71.04 N ATOM 354 CA TRP A 23 18.034 -5.108 -3.783 1.00 22.20 C ATOM 355 C TRP A 23 18.609 -6.494 -3.510 1.00 44.42 C ATOM 356 O TRP A 23 18.036 -7.504 -3.915 1.00 60.32 O ATOM 357 CB TRP A 23 18.566 -4.575 -5.114 1.00 52.33 C ATOM 358 CG TRP A 23 17.650 -3.582 -5.765 1.00 21.43 C ATOM 359 CD1 TRP A 23 17.748 -2.221 -5.715 1.00 22.14 C ATOM 360 CD2 TRP A 23 16.497 -3.874 -6.561 1.00 73.41 C ATOM 361 NE1 TRP A 23 16.725 -1.649 -6.432 1.00 22.31 N ATOM 362 CE2 TRP A 23 15.944 -2.642 -6.962 1.00 22.13 C ATOM 363 CE3 TRP A 23 15.878 -5.057 -6.976 1.00 41.45 C ATOM 364 CZ2 TRP A 23 14.803 -2.561 -7.756 1.00 22.25 C ATOM 365 CZ3 TRP A 23 14.746 -4.975 -7.764 1.00 54.51 C ATOM 366 CH2 TRP A 23 14.218 -3.734 -8.148 1.00 20.44 C ATOM 0 H TRP A 23 18.881 -3.359 -2.995 1.00 71.04 H new ATOM 0 HA TRP A 23 16.949 -5.190 -3.840 1.00 22.20 H new ATOM 0 HB2 TRP A 23 19.537 -4.109 -4.948 1.00 52.33 H new ATOM 0 HB3 TRP A 23 18.726 -5.411 -5.794 1.00 52.33 H new ATOM 0 HD1 TRP A 23 18.517 -1.674 -5.189 1.00 22.14 H new ATOM 0 HE1 TRP A 23 16.572 -0.648 -6.550 1.00 22.31 H new ATOM 0 HE3 TRP A 23 16.277 -6.018 -6.686 1.00 41.45 H new ATOM 0 HZ2 TRP A 23 14.394 -1.606 -8.052 1.00 22.25 H new ATOM 0 HZ3 TRP A 23 14.259 -5.882 -8.090 1.00 54.51 H new ATOM 0 HH2 TRP A 23 13.332 -3.704 -8.765 1.00 20.44 H new ATOM 377 N ALA A 24 19.745 -6.533 -2.821 1.00 41.12 N ATOM 378 CA ALA A 24 20.396 -7.795 -2.493 1.00 20.13 C ATOM 379 C ALA A 24 19.591 -8.575 -1.459 1.00 21.12 C ATOM 380 O ALA A 24 18.921 -9.552 -1.789 1.00 32.42 O ATOM 381 CB ALA A 24 21.808 -7.544 -1.985 1.00 63.23 C ATOM 0 H ALA A 24 20.233 -5.705 -2.479 1.00 41.12 H new ATOM 0 HA ALA A 24 20.450 -8.395 -3.402 1.00 20.13 H new ATOM 0 HB1 ALA A 24 22.282 -8.495 -1.744 1.00 63.23 H new ATOM 0 HB2 ALA A 24 22.387 -7.035 -2.756 1.00 63.23 H new ATOM 0 HB3 ALA A 24 21.768 -6.922 -1.091 1.00 63.23 H new ATOM 387 N ASN A 25 19.663 -8.137 -0.206 1.00 51.41 N ATOM 388 CA ASN A 25 18.941 -8.795 0.877 1.00 64.23 C ATOM 389 C ASN A 25 17.474 -8.377 0.886 1.00 3.34 C ATOM 390 O ASN A 25 17.135 -7.272 1.311 1.00 51.24 O ATOM 391 CB ASN A 25 19.587 -8.463 2.224 1.00 71.24 C ATOM 392 CG ASN A 25 19.808 -6.974 2.407 1.00 25.32 C ATOM 393 OD1 ASN A 25 18.932 -6.260 2.894 1.00 74.31 O ATOM 394 ND2 ASN A 25 20.985 -6.499 2.017 1.00 44.22 N ATOM 0 H ASN A 25 20.214 -7.329 0.084 1.00 51.41 H new ATOM 0 HA ASN A 25 18.992 -9.871 0.713 1.00 64.23 H new ATOM 0 HB2 ASN A 25 18.954 -8.835 3.029 1.00 71.24 H new ATOM 0 HB3 ASN A 25 20.542 -8.982 2.304 1.00 71.24 H new ATOM 0 HD21 ASN A 25 21.192 -5.505 2.116 1.00 44.22 H new ATOM 0 HD22 ASN A 25 21.682 -7.128 1.618 1.00 44.22 H new ATOM 401 N LYS A 26 16.608 -9.267 0.416 1.00 34.44 N ATOM 402 CA LYS A 26 15.176 -8.993 0.372 1.00 62.21 C ATOM 403 C LYS A 26 14.475 -9.564 1.600 1.00 15.32 C ATOM 404 O LYS A 26 14.023 -10.708 1.594 1.00 64.23 O ATOM 405 CB LYS A 26 14.562 -9.584 -0.900 1.00 3.45 C ATOM 406 CG LYS A 26 14.967 -8.852 -2.167 1.00 44.32 C ATOM 407 CD LYS A 26 14.120 -7.610 -2.389 1.00 42.02 C ATOM 408 CE LYS A 26 12.769 -7.958 -2.994 1.00 32.10 C ATOM 409 NZ LYS A 26 12.880 -8.306 -4.438 1.00 2.13 N ATOM 0 H LYS A 26 16.872 -10.185 0.060 1.00 34.44 H new ATOM 0 HA LYS A 26 15.038 -7.912 0.367 1.00 62.21 H new ATOM 0 HB2 LYS A 26 14.858 -10.630 -0.984 1.00 3.45 H new ATOM 0 HB3 LYS A 26 13.476 -9.566 -0.811 1.00 3.45 H new ATOM 0 HG2 LYS A 26 16.018 -8.570 -2.105 1.00 44.32 H new ATOM 0 HG3 LYS A 26 14.866 -9.520 -3.022 1.00 44.32 H new ATOM 0 HD2 LYS A 26 13.973 -7.094 -1.440 1.00 42.02 H new ATOM 0 HD3 LYS A 26 14.648 -6.921 -3.048 1.00 42.02 H new ATOM 0 HE2 LYS A 26 12.333 -8.797 -2.451 1.00 32.10 H new ATOM 0 HE3 LYS A 26 12.090 -7.114 -2.875 1.00 32.10 H new ATOM 0 HZ1 LYS A 26 11.930 -8.354 -4.857 1.00 2.13 H new ATOM 0 HZ2 LYS A 26 13.438 -7.578 -4.928 1.00 2.13 H new ATOM 0 HZ3 LYS A 26 13.350 -9.229 -4.538 1.00 2.13 H new ATOM 423 N GLY A 27 14.385 -8.757 2.653 1.00 11.14 N ATOM 424 CA GLY A 27 13.736 -9.199 3.873 1.00 35.15 C ATOM 425 C GLY A 27 14.130 -8.364 5.076 1.00 55.15 C ATOM 426 O GLY A 27 13.392 -8.289 6.058 1.00 34.02 O ATOM 0 H GLY A 27 14.750 -7.805 2.683 1.00 11.14 H new ATOM 0 HA2 GLY A 27 12.655 -9.154 3.742 1.00 35.15 H new ATOM 0 HA3 GLY A 27 13.992 -10.242 4.059 1.00 35.15 H new ATOM 430 N LYS A 28 15.297 -7.735 5.000 1.00 43.34 N ATOM 431 CA LYS A 28 15.790 -6.901 6.089 1.00 11.44 C ATOM 432 C LYS A 28 15.111 -5.535 6.079 1.00 43.45 C ATOM 433 O LYS A 28 14.616 -5.069 7.105 1.00 22.24 O ATOM 434 CB LYS A 28 17.307 -6.729 5.982 1.00 31.23 C ATOM 435 CG LYS A 28 18.065 -8.044 5.919 1.00 74.03 C ATOM 436 CD LYS A 28 19.455 -7.916 6.518 1.00 10.11 C ATOM 437 CE LYS A 28 20.478 -7.505 5.470 1.00 21.41 C ATOM 438 NZ LYS A 28 21.851 -7.415 6.040 1.00 33.45 N ATOM 0 H LYS A 28 15.920 -7.787 4.194 1.00 43.34 H new ATOM 0 HA LYS A 28 15.553 -7.398 7.029 1.00 11.44 H new ATOM 0 HB2 LYS A 28 17.536 -6.144 5.091 1.00 31.23 H new ATOM 0 HB3 LYS A 28 17.661 -6.156 6.839 1.00 31.23 H new ATOM 0 HG2 LYS A 28 17.507 -8.813 6.454 1.00 74.03 H new ATOM 0 HG3 LYS A 28 18.143 -8.370 4.882 1.00 74.03 H new ATOM 0 HD2 LYS A 28 19.440 -7.180 7.321 1.00 10.11 H new ATOM 0 HD3 LYS A 28 19.750 -8.867 6.963 1.00 10.11 H new ATOM 0 HE2 LYS A 28 20.471 -8.226 4.653 1.00 21.41 H new ATOM 0 HE3 LYS A 28 20.197 -6.541 5.047 1.00 21.41 H new ATOM 0 HZ1 LYS A 28 22.373 -6.650 5.568 1.00 33.45 H new ATOM 0 HZ2 LYS A 28 21.791 -7.216 7.059 1.00 33.45 H new ATOM 0 HZ3 LYS A 28 22.348 -8.316 5.892 1.00 33.45 H new ATOM 452 N ILE A 29 15.091 -4.898 4.912 1.00 20.42 N ATOM 453 CA ILE A 29 14.471 -3.587 4.769 1.00 74.25 C ATOM 454 C ILE A 29 12.971 -3.713 4.524 1.00 14.33 C ATOM 455 O ILE A 29 12.190 -2.853 4.934 1.00 54.32 O ATOM 456 CB ILE A 29 15.102 -2.789 3.613 1.00 45.01 C ATOM 457 CG1 ILE A 29 16.619 -2.696 3.797 1.00 35.15 C ATOM 458 CG2 ILE A 29 14.487 -1.400 3.530 1.00 4.12 C ATOM 459 CD1 ILE A 29 17.382 -3.794 3.091 1.00 73.44 C ATOM 0 H ILE A 29 15.497 -5.269 4.053 1.00 20.42 H new ATOM 0 HA ILE A 29 14.642 -3.053 5.704 1.00 74.25 H new ATOM 0 HB ILE A 29 14.899 -3.311 2.678 1.00 45.01 H new ATOM 0 HG12 ILE A 29 16.963 -1.730 3.427 1.00 35.15 H new ATOM 0 HG13 ILE A 29 16.850 -2.731 4.862 1.00 35.15 H new ATOM 0 HG21 ILE A 29 14.944 -0.848 2.708 1.00 4.12 H new ATOM 0 HG22 ILE A 29 13.414 -1.487 3.357 1.00 4.12 H new ATOM 0 HG23 ILE A 29 14.662 -0.868 4.465 1.00 4.12 H new ATOM 0 HD11 ILE A 29 18.450 -3.665 3.265 1.00 73.44 H new ATOM 0 HD12 ILE A 29 17.066 -4.763 3.477 1.00 73.44 H new ATOM 0 HD13 ILE A 29 17.181 -3.747 2.021 1.00 73.44 H new ATOM 471 N LEU A 30 12.574 -4.790 3.856 1.00 32.00 N ATOM 472 CA LEU A 30 11.166 -5.030 3.558 1.00 20.33 C ATOM 473 C LEU A 30 10.331 -5.024 4.835 1.00 53.44 C ATOM 474 O LEU A 30 9.134 -4.736 4.804 1.00 71.44 O ATOM 475 CB LEU A 30 10.999 -6.366 2.833 1.00 73.44 C ATOM 476 CG LEU A 30 11.138 -6.326 1.310 1.00 1.54 C ATOM 477 CD1 LEU A 30 9.949 -5.614 0.684 1.00 12.24 C ATOM 478 CD2 LEU A 30 12.439 -5.645 0.912 1.00 5.32 C ATOM 0 H LEU A 30 13.207 -5.511 3.510 1.00 32.00 H new ATOM 0 HA LEU A 30 10.814 -4.226 2.912 1.00 20.33 H new ATOM 0 HB2 LEU A 30 11.737 -7.065 3.227 1.00 73.44 H new ATOM 0 HB3 LEU A 30 10.016 -6.769 3.078 1.00 73.44 H new ATOM 0 HG LEU A 30 11.158 -7.351 0.939 1.00 1.54 H new ATOM 0 HD11 LEU A 30 10.065 -5.595 -0.400 1.00 12.24 H new ATOM 0 HD12 LEU A 30 9.031 -6.143 0.941 1.00 12.24 H new ATOM 0 HD13 LEU A 30 9.897 -4.593 1.061 1.00 12.24 H new ATOM 0 HD21 LEU A 30 12.522 -5.625 -0.175 1.00 5.32 H new ATOM 0 HD22 LEU A 30 12.448 -4.625 1.295 1.00 5.32 H new ATOM 0 HD23 LEU A 30 13.281 -6.197 1.330 1.00 5.32 H new ATOM 490 N ASP A 31 10.970 -5.340 5.955 1.00 11.23 N ATOM 491 CA ASP A 31 10.287 -5.367 7.243 1.00 31.15 C ATOM 492 C ASP A 31 10.130 -3.958 7.805 1.00 0.44 C ATOM 493 O ASP A 31 9.085 -3.612 8.357 1.00 43.40 O ATOM 494 CB ASP A 31 11.056 -6.242 8.234 1.00 4.14 C ATOM 495 CG ASP A 31 10.692 -7.709 8.116 1.00 43.22 C ATOM 496 OD1 ASP A 31 10.689 -8.229 6.981 1.00 51.14 O ATOM 497 OD2 ASP A 31 10.410 -8.337 9.158 1.00 51.40 O ATOM 0 H ASP A 31 11.960 -5.581 5.998 1.00 11.23 H new ATOM 0 HA ASP A 31 9.294 -5.790 7.091 1.00 31.15 H new ATOM 0 HB2 ASP A 31 12.126 -6.122 8.066 1.00 4.14 H new ATOM 0 HB3 ASP A 31 10.853 -5.901 9.249 1.00 4.14 H new ATOM 502 N TRP A 32 11.174 -3.150 7.662 1.00 4.13 N ATOM 503 CA TRP A 32 11.153 -1.778 8.157 1.00 53.11 C ATOM 504 C TRP A 32 9.923 -1.035 7.647 1.00 12.12 C ATOM 505 O TRP A 32 9.321 -0.240 8.371 1.00 61.21 O ATOM 506 CB TRP A 32 12.423 -1.040 7.730 1.00 32.12 C ATOM 507 CG TRP A 32 13.639 -1.456 8.501 1.00 71.30 C ATOM 508 CD1 TRP A 32 13.671 -1.977 9.763 1.00 12.32 C ATOM 509 CD2 TRP A 32 14.999 -1.385 8.060 1.00 61.13 C ATOM 510 NE1 TRP A 32 14.969 -2.233 10.133 1.00 21.32 N ATOM 511 CE2 TRP A 32 15.803 -1.880 9.105 1.00 12.15 C ATOM 512 CE3 TRP A 32 15.616 -0.954 6.883 1.00 42.45 C ATOM 513 CZ2 TRP A 32 17.190 -1.953 9.007 1.00 13.44 C ATOM 514 CZ3 TRP A 32 16.993 -1.026 6.787 1.00 72.11 C ATOM 515 CH2 TRP A 32 17.767 -1.523 7.844 1.00 63.14 C ATOM 0 H TRP A 32 12.046 -3.421 7.207 1.00 4.13 H new ATOM 0 HA TRP A 32 11.110 -1.811 9.246 1.00 53.11 H new ATOM 0 HB2 TRP A 32 12.597 -1.215 6.668 1.00 32.12 H new ATOM 0 HB3 TRP A 32 12.271 0.032 7.855 1.00 32.12 H new ATOM 0 HD1 TRP A 32 12.803 -2.161 10.379 1.00 12.32 H new ATOM 0 HE1 TRP A 32 15.264 -2.623 11.028 1.00 21.32 H new ATOM 0 HE3 TRP A 32 15.027 -0.571 6.062 1.00 42.45 H new ATOM 0 HZ2 TRP A 32 17.789 -2.336 9.820 1.00 13.44 H new ATOM 0 HZ3 TRP A 32 17.480 -0.694 5.882 1.00 72.11 H new ATOM 0 HH2 TRP A 32 18.841 -1.567 7.738 1.00 63.14 H new ATOM 526 N LEU A 33 9.553 -1.298 6.399 1.00 45.24 N ATOM 527 CA LEU A 33 8.394 -0.653 5.792 1.00 73.50 C ATOM 528 C LEU A 33 7.162 -0.803 6.679 1.00 11.43 C ATOM 529 O LEU A 33 6.289 0.065 6.697 1.00 25.55 O ATOM 530 CB LEU A 33 8.117 -1.252 4.411 1.00 2.45 C ATOM 531 CG LEU A 33 9.242 -1.118 3.385 1.00 64.23 C ATOM 532 CD1 LEU A 33 9.021 -2.074 2.223 1.00 54.24 C ATOM 533 CD2 LEU A 33 9.343 0.316 2.886 1.00 15.15 C ATOM 0 H LEU A 33 10.039 -1.954 5.787 1.00 45.24 H new ATOM 0 HA LEU A 33 8.615 0.409 5.683 1.00 73.50 H new ATOM 0 HB2 LEU A 33 7.889 -2.311 4.535 1.00 2.45 H new ATOM 0 HB3 LEU A 33 7.223 -0.779 4.004 1.00 2.45 H new ATOM 0 HG LEU A 33 10.182 -1.379 3.870 1.00 64.23 H new ATOM 0 HD11 LEU A 33 9.832 -1.965 1.503 1.00 54.24 H new ATOM 0 HD12 LEU A 33 9.001 -3.099 2.594 1.00 54.24 H new ATOM 0 HD13 LEU A 33 8.072 -1.845 1.739 1.00 54.24 H new ATOM 0 HD21 LEU A 33 10.149 0.391 2.157 1.00 15.15 H new ATOM 0 HD22 LEU A 33 8.402 0.606 2.418 1.00 15.15 H new ATOM 0 HD23 LEU A 33 9.550 0.980 3.726 1.00 15.15 H new ATOM 545 N ASN A 34 7.100 -1.907 7.415 1.00 35.45 N ATOM 546 CA ASN A 34 5.975 -2.169 8.307 1.00 63.31 C ATOM 547 C ASN A 34 6.347 -1.865 9.755 1.00 70.10 C ATOM 548 O ASN A 34 5.485 -1.551 10.575 1.00 73.31 O ATOM 549 CB ASN A 34 5.525 -3.626 8.179 1.00 21.04 C ATOM 550 CG ASN A 34 5.417 -4.073 6.734 1.00 33.34 C ATOM 551 OD1 ASN A 34 4.390 -3.870 6.085 1.00 4.04 O ATOM 552 ND2 ASN A 34 6.478 -4.686 6.224 1.00 61.43 N ATOM 0 H ASN A 34 7.815 -2.635 7.412 1.00 35.45 H new ATOM 0 HA ASN A 34 5.153 -1.515 8.017 1.00 63.31 H new ATOM 0 HB2 ASN A 34 6.232 -4.269 8.704 1.00 21.04 H new ATOM 0 HB3 ASN A 34 4.559 -3.749 8.668 1.00 21.04 H new ATOM 0 HD21 ASN A 34 6.464 -5.010 5.257 1.00 61.43 H new ATOM 0 HD22 ASN A 34 7.308 -4.833 6.799 1.00 61.43 H new ATOM 559 N ALA A 35 7.637 -1.960 10.062 1.00 54.25 N ATOM 560 CA ALA A 35 8.123 -1.692 11.409 1.00 21.33 C ATOM 561 C ALA A 35 8.887 -0.374 11.466 1.00 41.25 C ATOM 562 O ALA A 35 10.093 -0.354 11.708 1.00 41.34 O ATOM 563 CB ALA A 35 9.004 -2.836 11.889 1.00 64.10 C ATOM 0 H ALA A 35 8.364 -2.221 9.395 1.00 54.25 H new ATOM 0 HA ALA A 35 7.260 -1.610 12.070 1.00 21.33 H new ATOM 0 HB1 ALA A 35 9.360 -2.623 12.897 1.00 64.10 H new ATOM 0 HB2 ALA A 35 8.427 -3.761 11.896 1.00 64.10 H new ATOM 0 HB3 ALA A 35 9.856 -2.945 11.218 1.00 64.10 H new ATOM 569 N GLY A 36 8.176 0.727 11.239 1.00 4.14 N ATOM 570 CA GLY A 36 8.805 2.035 11.268 1.00 31.21 C ATOM 571 C GLY A 36 7.885 3.131 10.769 1.00 41.23 C ATOM 572 O GLY A 36 7.787 4.194 11.382 1.00 74.23 O ATOM 0 H GLY A 36 7.177 0.736 11.036 1.00 4.14 H new ATOM 0 HA2 GLY A 36 9.117 2.262 12.287 1.00 31.21 H new ATOM 0 HA3 GLY A 36 9.707 2.015 10.656 1.00 31.21 H new ATOM 576 N GLN A 37 7.212 2.874 9.652 1.00 34.42 N ATOM 577 CA GLN A 37 6.297 3.849 9.070 1.00 63.21 C ATOM 578 C GLN A 37 7.002 5.180 8.830 1.00 13.14 C ATOM 579 O GLN A 37 6.390 6.244 8.929 1.00 23.50 O ATOM 580 CB GLN A 37 5.088 4.055 9.984 1.00 4.21 C ATOM 581 CG GLN A 37 4.035 2.967 9.854 1.00 14.33 C ATOM 582 CD GLN A 37 2.992 3.030 10.953 1.00 3.22 C ATOM 583 OE1 GLN A 37 3.017 3.926 11.798 1.00 51.25 O ATOM 584 NE2 GLN A 37 2.068 2.077 10.948 1.00 22.34 N ATOM 0 H GLN A 37 7.283 1.999 9.132 1.00 34.42 H new ATOM 0 HA GLN A 37 5.955 3.462 8.110 1.00 63.21 H new ATOM 0 HB2 GLN A 37 5.428 4.098 11.019 1.00 4.21 H new ATOM 0 HB3 GLN A 37 4.632 5.019 9.758 1.00 4.21 H new ATOM 0 HG2 GLN A 37 3.543 3.057 8.886 1.00 14.33 H new ATOM 0 HG3 GLN A 37 4.521 1.992 9.875 1.00 14.33 H new ATOM 0 HE21 GLN A 37 2.085 1.354 10.229 1.00 22.34 H new ATOM 0 HE22 GLN A 37 1.341 2.068 11.663 1.00 22.34 H new ATOM 593 N ALA A 38 8.291 5.113 8.516 1.00 42.44 N ATOM 594 CA ALA A 38 9.078 6.313 8.260 1.00 3.44 C ATOM 595 C ALA A 38 10.087 6.080 7.141 1.00 42.40 C ATOM 596 O ALA A 38 10.303 4.946 6.714 1.00 71.15 O ATOM 597 CB ALA A 38 9.789 6.758 9.530 1.00 0.30 C ATOM 0 H ALA A 38 8.813 4.241 8.433 1.00 42.44 H new ATOM 0 HA ALA A 38 8.398 7.103 7.941 1.00 3.44 H new ATOM 0 HB1 ALA A 38 10.373 7.655 9.325 1.00 0.30 H new ATOM 0 HB2 ALA A 38 9.052 6.974 10.303 1.00 0.30 H new ATOM 0 HB3 ALA A 38 10.452 5.964 9.873 1.00 0.30 H new ATOM 603 N ILE A 39 10.702 7.160 6.670 1.00 15.53 N ATOM 604 CA ILE A 39 11.688 7.072 5.601 1.00 52.43 C ATOM 605 C ILE A 39 13.076 7.459 6.100 1.00 51.13 C ATOM 606 O ILE A 39 14.002 6.648 6.082 1.00 74.42 O ATOM 607 CB ILE A 39 11.312 7.977 4.412 1.00 34.31 C ATOM 608 CG1 ILE A 39 9.888 7.672 3.942 1.00 71.33 C ATOM 609 CG2 ILE A 39 12.303 7.793 3.272 1.00 15.24 C ATOM 610 CD1 ILE A 39 8.831 8.504 4.634 1.00 45.33 C ATOM 0 H ILE A 39 10.534 8.106 7.012 1.00 15.53 H new ATOM 0 HA ILE A 39 11.700 6.034 5.268 1.00 52.43 H new ATOM 0 HB ILE A 39 11.352 9.016 4.738 1.00 34.31 H new ATOM 0 HG12 ILE A 39 9.825 7.841 2.867 1.00 71.33 H new ATOM 0 HG13 ILE A 39 9.676 6.616 4.112 1.00 71.33 H new ATOM 0 HG21 ILE A 39 12.024 8.439 2.440 1.00 15.24 H new ATOM 0 HG22 ILE A 39 13.304 8.055 3.614 1.00 15.24 H new ATOM 0 HG23 ILE A 39 12.292 6.753 2.944 1.00 15.24 H new ATOM 0 HD11 ILE A 39 7.847 8.234 4.251 1.00 45.33 H new ATOM 0 HD12 ILE A 39 8.866 8.318 5.707 1.00 45.33 H new ATOM 0 HD13 ILE A 39 9.017 9.561 4.443 1.00 45.33 H new ATOM 622 N ASP A 40 13.213 8.703 6.546 1.00 33.21 N ATOM 623 CA ASP A 40 14.487 9.197 7.054 1.00 44.15 C ATOM 624 C ASP A 40 15.008 8.305 8.176 1.00 65.33 C ATOM 625 O ASP A 40 16.215 8.222 8.406 1.00 32.33 O ATOM 626 CB ASP A 40 14.338 10.634 7.556 1.00 41.15 C ATOM 627 CG ASP A 40 14.124 11.623 6.426 1.00 31.41 C ATOM 628 OD1 ASP A 40 15.040 11.779 5.592 1.00 24.30 O ATOM 629 OD2 ASP A 40 13.039 12.239 6.376 1.00 44.41 O ATOM 0 H ASP A 40 12.457 9.388 6.566 1.00 33.21 H new ATOM 0 HA ASP A 40 15.207 9.179 6.236 1.00 44.15 H new ATOM 0 HB2 ASP A 40 13.497 10.689 8.247 1.00 41.15 H new ATOM 0 HB3 ASP A 40 15.230 10.914 8.116 1.00 41.15 H new ATOM 634 N TRP A 41 14.092 7.641 8.870 1.00 32.41 N ATOM 635 CA TRP A 41 14.459 6.755 9.969 1.00 1.03 C ATOM 636 C TRP A 41 14.931 5.403 9.445 1.00 41.40 C ATOM 637 O TRP A 41 15.712 4.711 10.098 1.00 10.44 O ATOM 638 CB TRP A 41 13.272 6.563 10.915 1.00 24.00 C ATOM 639 CG TRP A 41 13.576 5.663 12.074 1.00 4.14 C ATOM 640 CD1 TRP A 41 14.064 6.035 13.295 1.00 50.03 C ATOM 641 CD2 TRP A 41 13.415 4.241 12.121 1.00 14.31 C ATOM 642 NE1 TRP A 41 14.215 4.930 14.097 1.00 21.12 N ATOM 643 CE2 TRP A 41 13.823 3.817 13.401 1.00 52.40 C ATOM 644 CE3 TRP A 41 12.963 3.285 11.207 1.00 12.44 C ATOM 645 CZ2 TRP A 41 13.793 2.480 13.786 1.00 30.14 C ATOM 646 CZ3 TRP A 41 12.934 1.958 11.591 1.00 1.34 C ATOM 647 CH2 TRP A 41 13.346 1.565 12.872 1.00 42.33 C ATOM 0 H TRP A 41 13.089 7.699 8.692 1.00 32.41 H new ATOM 0 HA TRP A 41 15.280 7.218 10.517 1.00 1.03 H new ATOM 0 HB2 TRP A 41 12.956 7.536 11.292 1.00 24.00 H new ATOM 0 HB3 TRP A 41 12.433 6.151 10.355 1.00 24.00 H new ATOM 0 HD1 TRP A 41 14.297 7.049 13.587 1.00 50.03 H new ATOM 0 HE1 TRP A 41 14.563 4.937 15.056 1.00 21.12 H new ATOM 0 HE3 TRP A 41 12.642 3.578 10.218 1.00 12.44 H new ATOM 0 HZ2 TRP A 41 14.111 2.175 14.772 1.00 30.14 H new ATOM 0 HZ3 TRP A 41 12.588 1.211 10.892 1.00 1.34 H new ATOM 0 HH2 TRP A 41 13.310 0.520 13.143 1.00 42.33 H new ATOM 658 N VAL A 42 14.453 5.033 8.261 1.00 32.45 N ATOM 659 CA VAL A 42 14.827 3.764 7.649 1.00 64.40 C ATOM 660 C VAL A 42 16.132 3.893 6.871 1.00 23.24 C ATOM 661 O VAL A 42 16.969 2.990 6.887 1.00 21.12 O ATOM 662 CB VAL A 42 13.727 3.251 6.701 1.00 15.15 C ATOM 663 CG1 VAL A 42 14.149 1.944 6.049 1.00 24.30 C ATOM 664 CG2 VAL A 42 12.414 3.082 7.452 1.00 23.12 C ATOM 0 H VAL A 42 13.806 5.594 7.707 1.00 32.45 H new ATOM 0 HA VAL A 42 14.959 3.049 8.461 1.00 64.40 H new ATOM 0 HB VAL A 42 13.577 3.989 5.913 1.00 15.15 H new ATOM 0 HG11 VAL A 42 13.359 1.598 5.383 1.00 24.30 H new ATOM 0 HG12 VAL A 42 15.063 2.102 5.476 1.00 24.30 H new ATOM 0 HG13 VAL A 42 14.328 1.194 6.820 1.00 24.30 H new ATOM 0 HG21 VAL A 42 11.647 2.719 6.767 1.00 23.12 H new ATOM 0 HG22 VAL A 42 12.547 2.364 8.261 1.00 23.12 H new ATOM 0 HG23 VAL A 42 12.105 4.042 7.866 1.00 23.12 H new ATOM 674 N VAL A 43 16.300 5.022 6.191 1.00 1.40 N ATOM 675 CA VAL A 43 17.504 5.271 5.408 1.00 44.52 C ATOM 676 C VAL A 43 18.706 5.520 6.312 1.00 25.21 C ATOM 677 O VAL A 43 19.767 4.922 6.130 1.00 42.41 O ATOM 678 CB VAL A 43 17.324 6.479 4.469 1.00 12.22 C ATOM 679 CG1 VAL A 43 18.568 6.686 3.619 1.00 2.14 C ATOM 680 CG2 VAL A 43 16.094 6.293 3.593 1.00 44.13 C ATOM 0 H VAL A 43 15.617 5.779 6.166 1.00 1.40 H new ATOM 0 HA VAL A 43 17.682 4.378 4.809 1.00 44.52 H new ATOM 0 HB VAL A 43 17.178 7.371 5.077 1.00 12.22 H new ATOM 0 HG11 VAL A 43 18.421 7.544 2.962 1.00 2.14 H new ATOM 0 HG12 VAL A 43 19.425 6.867 4.267 1.00 2.14 H new ATOM 0 HG13 VAL A 43 18.750 5.795 3.017 1.00 2.14 H new ATOM 0 HG21 VAL A 43 15.982 7.155 2.936 1.00 44.13 H new ATOM 0 HG22 VAL A 43 16.209 5.391 2.992 1.00 44.13 H new ATOM 0 HG23 VAL A 43 15.209 6.199 4.223 1.00 44.13 H new ATOM 690 N SER A 44 18.533 6.405 7.288 1.00 11.31 N ATOM 691 CA SER A 44 19.605 6.736 8.220 1.00 72.31 C ATOM 692 C SER A 44 20.087 5.490 8.957 1.00 62.01 C ATOM 693 O SER A 44 21.235 5.420 9.397 1.00 32.24 O ATOM 694 CB SER A 44 19.129 7.785 9.226 1.00 10.31 C ATOM 695 OG SER A 44 18.926 9.039 8.598 1.00 44.22 O ATOM 0 H SER A 44 17.660 6.906 7.454 1.00 11.31 H new ATOM 0 HA SER A 44 20.438 7.144 7.648 1.00 72.31 H new ATOM 0 HB2 SER A 44 18.201 7.453 9.690 1.00 10.31 H new ATOM 0 HB3 SER A 44 19.865 7.889 10.023 1.00 10.31 H new ATOM 0 HG SER A 44 17.979 9.140 8.367 1.00 44.22 H new ATOM 701 N LYS A 45 19.202 4.508 9.088 1.00 70.24 N ATOM 702 CA LYS A 45 19.535 3.263 9.770 1.00 71.24 C ATOM 703 C LYS A 45 20.462 2.405 8.915 1.00 44.23 C ATOM 704 O LYS A 45 21.014 1.411 9.387 1.00 72.41 O ATOM 705 CB LYS A 45 18.261 2.482 10.100 1.00 70.32 C ATOM 706 CG LYS A 45 18.365 1.659 11.372 1.00 14.04 C ATOM 707 CD LYS A 45 18.894 0.263 11.092 1.00 24.32 C ATOM 708 CE LYS A 45 18.382 -0.743 12.112 1.00 4.21 C ATOM 709 NZ LYS A 45 16.898 -0.859 12.079 1.00 21.24 N ATOM 0 H LYS A 45 18.248 4.550 8.730 1.00 70.24 H new ATOM 0 HA LYS A 45 20.052 3.513 10.697 1.00 71.24 H new ATOM 0 HB2 LYS A 45 17.431 3.182 10.197 1.00 70.32 H new ATOM 0 HB3 LYS A 45 18.025 1.820 9.267 1.00 70.32 H new ATOM 0 HG2 LYS A 45 19.023 2.163 12.080 1.00 14.04 H new ATOM 0 HG3 LYS A 45 17.384 1.590 11.843 1.00 14.04 H new ATOM 0 HD2 LYS A 45 18.593 -0.047 10.091 1.00 24.32 H new ATOM 0 HD3 LYS A 45 19.984 0.276 11.108 1.00 24.32 H new ATOM 0 HE2 LYS A 45 18.827 -1.718 11.915 1.00 4.21 H new ATOM 0 HE3 LYS A 45 18.701 -0.443 13.110 1.00 4.21 H new ATOM 0 HZ1 LYS A 45 16.597 -1.636 12.701 1.00 21.24 H new ATOM 0 HZ2 LYS A 45 16.473 0.032 12.406 1.00 21.24 H new ATOM 0 HZ3 LYS A 45 16.587 -1.054 11.106 1.00 21.24 H new ATOM 723 N ILE A 46 20.631 2.797 7.656 1.00 13.54 N ATOM 724 CA ILE A 46 21.494 2.066 6.738 1.00 73.45 C ATOM 725 C ILE A 46 22.934 2.557 6.827 1.00 44.32 C ATOM 726 O ILE A 46 23.877 1.799 6.598 1.00 74.24 O ATOM 727 CB ILE A 46 21.007 2.198 5.282 1.00 22.23 C ATOM 728 CG1 ILE A 46 19.508 1.905 5.194 1.00 10.31 C ATOM 729 CG2 ILE A 46 21.790 1.260 4.375 1.00 14.10 C ATOM 730 CD1 ILE A 46 18.946 2.045 3.797 1.00 63.34 C ATOM 0 H ILE A 46 20.181 3.617 7.249 1.00 13.54 H new ATOM 0 HA ILE A 46 21.452 1.018 7.033 1.00 73.45 H new ATOM 0 HB ILE A 46 21.178 3.222 4.948 1.00 22.23 H new ATOM 0 HG12 ILE A 46 19.322 0.892 5.552 1.00 10.31 H new ATOM 0 HG13 ILE A 46 18.974 2.582 5.861 1.00 10.31 H new ATOM 0 HG21 ILE A 46 21.435 1.364 3.350 1.00 14.10 H new ATOM 0 HG22 ILE A 46 22.850 1.511 4.419 1.00 14.10 H new ATOM 0 HG23 ILE A 46 21.647 0.231 4.705 1.00 14.10 H new ATOM 0 HD11 ILE A 46 17.879 1.823 3.810 1.00 63.34 H new ATOM 0 HD12 ILE A 46 19.100 3.065 3.443 1.00 63.34 H new ATOM 0 HD13 ILE A 46 19.454 1.349 3.129 1.00 63.34 H new ATOM 742 N LYS A 47 23.099 3.832 7.163 1.00 13.23 N ATOM 743 CA LYS A 47 24.424 4.427 7.287 1.00 64.42 C ATOM 744 C LYS A 47 25.289 3.631 8.260 1.00 52.31 C ATOM 745 O LYS A 47 26.509 3.568 8.110 1.00 33.04 O ATOM 746 CB LYS A 47 24.313 5.879 7.757 1.00 71.22 C ATOM 747 CG LYS A 47 23.878 6.840 6.664 1.00 2.01 C ATOM 748 CD LYS A 47 22.880 7.861 7.184 1.00 34.50 C ATOM 749 CE LYS A 47 23.564 9.164 7.569 1.00 75.53 C ATOM 750 NZ LYS A 47 24.496 8.983 8.716 1.00 54.11 N ATOM 0 H LYS A 47 22.330 4.474 7.355 1.00 13.23 H new ATOM 0 HA LYS A 47 24.897 4.405 6.305 1.00 64.42 H new ATOM 0 HB2 LYS A 47 23.601 5.932 8.581 1.00 71.22 H new ATOM 0 HB3 LYS A 47 25.278 6.200 8.149 1.00 71.22 H new ATOM 0 HG2 LYS A 47 24.751 7.355 6.262 1.00 2.01 H new ATOM 0 HG3 LYS A 47 23.432 6.280 5.842 1.00 2.01 H new ATOM 0 HD2 LYS A 47 22.127 8.056 6.421 1.00 34.50 H new ATOM 0 HD3 LYS A 47 22.358 7.453 8.050 1.00 34.50 H new ATOM 0 HE2 LYS A 47 24.114 9.553 6.712 1.00 75.53 H new ATOM 0 HE3 LYS A 47 22.810 9.907 7.827 1.00 75.53 H new ATOM 0 HZ1 LYS A 47 24.891 9.905 8.992 1.00 54.11 H new ATOM 0 HZ2 LYS A 47 23.981 8.573 9.521 1.00 54.11 H new ATOM 0 HZ3 LYS A 47 25.269 8.345 8.438 1.00 54.11 H new ATOM 764 N GLN A 48 24.648 3.026 9.254 1.00 22.45 N ATOM 765 CA GLN A 48 25.360 2.234 10.251 1.00 71.22 C ATOM 766 C GLN A 48 25.637 0.827 9.732 1.00 72.25 C ATOM 767 O GLN A 48 26.584 0.170 10.165 1.00 42.32 O ATOM 768 CB GLN A 48 24.552 2.162 11.548 1.00 60.32 C ATOM 769 CG GLN A 48 23.127 1.669 11.351 1.00 65.04 C ATOM 770 CD GLN A 48 22.398 1.453 12.662 1.00 52.51 C ATOM 771 OE1 GLN A 48 21.730 0.437 12.854 1.00 11.01 O ATOM 772 NE2 GLN A 48 22.522 2.411 13.573 1.00 11.41 N ATOM 0 H GLN A 48 23.638 3.069 9.391 1.00 22.45 H new ATOM 0 HA GLN A 48 26.314 2.722 10.452 1.00 71.22 H new ATOM 0 HB2 GLN A 48 25.063 1.501 12.248 1.00 60.32 H new ATOM 0 HB3 GLN A 48 24.525 3.151 12.005 1.00 60.32 H new ATOM 0 HG2 GLN A 48 22.577 2.392 10.748 1.00 65.04 H new ATOM 0 HG3 GLN A 48 23.144 0.734 10.791 1.00 65.04 H new ATOM 0 HE21 GLN A 48 23.086 3.237 13.371 1.00 11.41 H new ATOM 0 HE22 GLN A 48 22.053 2.321 14.474 1.00 11.41 H new ATOM 781 N ILE A 49 24.804 0.370 8.802 1.00 3.11 N ATOM 782 CA ILE A 49 24.961 -0.959 8.224 1.00 55.22 C ATOM 783 C ILE A 49 26.190 -1.025 7.324 1.00 75.55 C ATOM 784 O ILE A 49 27.199 -1.636 7.677 1.00 62.21 O ATOM 785 CB ILE A 49 23.719 -1.368 7.410 1.00 51.14 C ATOM 786 CG1 ILE A 49 22.472 -1.347 8.296 1.00 74.54 C ATOM 787 CG2 ILE A 49 23.918 -2.746 6.797 1.00 33.43 C ATOM 788 CD1 ILE A 49 22.574 -2.251 9.504 1.00 20.42 C ATOM 0 H ILE A 49 24.014 0.900 8.433 1.00 3.11 H new ATOM 0 HA ILE A 49 25.085 -1.653 9.055 1.00 55.22 H new ATOM 0 HB ILE A 49 23.579 -0.650 6.602 1.00 51.14 H new ATOM 0 HG12 ILE A 49 22.291 -0.326 8.631 1.00 74.54 H new ATOM 0 HG13 ILE A 49 21.609 -1.645 7.701 1.00 74.54 H new ATOM 0 HG21 ILE A 49 23.032 -3.021 6.225 1.00 33.43 H new ATOM 0 HG22 ILE A 49 24.785 -2.729 6.137 1.00 33.43 H new ATOM 0 HG23 ILE A 49 24.080 -3.477 7.589 1.00 33.43 H new ATOM 0 HD11 ILE A 49 21.655 -2.185 10.086 1.00 20.42 H new ATOM 0 HD12 ILE A 49 22.724 -3.280 9.177 1.00 20.42 H new ATOM 0 HD13 ILE A 49 23.417 -1.940 10.121 1.00 20.42 H new ATOM 800 N LEU A 50 26.098 -0.392 6.159 1.00 22.33 N ATOM 801 CA LEU A 50 27.204 -0.377 5.208 1.00 72.53 C ATOM 802 C LEU A 50 28.290 0.597 5.650 1.00 4.24 C ATOM 803 O LEU A 50 29.430 0.203 5.894 1.00 1.22 O ATOM 804 CB LEU A 50 26.699 0.003 3.815 1.00 75.42 C ATOM 805 CG LEU A 50 25.384 -0.645 3.378 1.00 63.24 C ATOM 806 CD1 LEU A 50 24.887 -0.023 2.082 1.00 44.10 C ATOM 807 CD2 LEU A 50 25.558 -2.148 3.217 1.00 22.40 C ATOM 0 H LEU A 50 25.270 0.117 5.851 1.00 22.33 H new ATOM 0 HA LEU A 50 27.633 -1.378 5.172 1.00 72.53 H new ATOM 0 HB2 LEU A 50 26.578 1.086 3.777 1.00 75.42 H new ATOM 0 HB3 LEU A 50 27.468 -0.257 3.088 1.00 75.42 H new ATOM 0 HG LEU A 50 24.638 -0.466 4.153 1.00 63.24 H new ATOM 0 HD11 LEU A 50 23.951 -0.497 1.787 1.00 44.10 H new ATOM 0 HD12 LEU A 50 24.723 1.044 2.230 1.00 44.10 H new ATOM 0 HD13 LEU A 50 25.631 -0.170 1.299 1.00 44.10 H new ATOM 0 HD21 LEU A 50 24.613 -2.592 2.906 1.00 22.40 H new ATOM 0 HD22 LEU A 50 26.319 -2.347 2.462 1.00 22.40 H new ATOM 0 HD23 LEU A 50 25.868 -2.582 4.168 1.00 22.40 H new ATOM 819 N GLY A 51 27.928 1.872 5.754 1.00 1.32 N ATOM 820 CA GLY A 51 28.883 2.883 6.170 1.00 52.22 C ATOM 821 C GLY A 51 28.928 4.063 5.220 1.00 40.44 C ATOM 822 O GLY A 51 29.987 4.651 4.999 1.00 5.15 O ATOM 0 H GLY A 51 26.991 2.223 5.558 1.00 1.32 H new ATOM 0 HA2 GLY A 51 28.624 3.234 7.169 1.00 52.22 H new ATOM 0 HA3 GLY A 51 29.875 2.436 6.237 1.00 52.22 H new ATOM 826 N ILE A 52 27.777 4.410 4.654 1.00 13.12 N ATOM 827 CA ILE A 52 27.690 5.527 3.722 1.00 11.41 C ATOM 828 C ILE A 52 27.879 6.859 4.441 1.00 74.11 C ATOM 829 O ILE A 52 27.380 7.055 5.549 1.00 1.24 O ATOM 830 CB ILE A 52 26.338 5.542 2.985 1.00 34.11 C ATOM 831 CG1 ILE A 52 26.312 6.661 1.942 1.00 3.44 C ATOM 832 CG2 ILE A 52 25.196 5.708 3.977 1.00 52.24 C ATOM 833 CD1 ILE A 52 27.260 6.432 0.786 1.00 21.41 C ATOM 0 H ILE A 52 26.892 3.933 4.825 1.00 13.12 H new ATOM 0 HA ILE A 52 28.490 5.393 2.994 1.00 11.41 H new ATOM 0 HB ILE A 52 26.211 4.589 2.470 1.00 34.11 H new ATOM 0 HG12 ILE A 52 25.298 6.762 1.555 1.00 3.44 H new ATOM 0 HG13 ILE A 52 26.564 7.604 2.427 1.00 3.44 H new ATOM 0 HG21 ILE A 52 24.247 5.717 3.441 1.00 52.24 H new ATOM 0 HG22 ILE A 52 25.205 4.879 4.685 1.00 52.24 H new ATOM 0 HG23 ILE A 52 25.317 6.647 4.517 1.00 52.24 H new ATOM 0 HD11 ILE A 52 27.188 7.265 0.086 1.00 21.41 H new ATOM 0 HD12 ILE A 52 28.281 6.360 1.161 1.00 21.41 H new ATOM 0 HD13 ILE A 52 26.995 5.506 0.276 1.00 21.41 H new ATOM 845 N LYS A 53 28.601 7.773 3.802 1.00 73.14 N ATOM 846 CA LYS A 53 28.854 9.088 4.377 1.00 12.50 C ATOM 847 C LYS A 53 28.536 10.192 3.373 1.00 72.10 C ATOM 848 O LYS A 53 28.378 11.355 3.744 1.00 52.32 O ATOM 849 CB LYS A 53 30.312 9.199 4.827 1.00 22.14 C ATOM 850 CG LYS A 53 31.313 8.862 3.736 1.00 40.14 C ATOM 851 CD LYS A 53 31.624 7.375 3.704 1.00 42.22 C ATOM 852 CE LYS A 53 32.931 7.095 2.977 1.00 75.50 C ATOM 853 NZ LYS A 53 34.108 7.594 3.740 1.00 70.32 N ATOM 0 H LYS A 53 29.022 7.627 2.884 1.00 73.14 H new ATOM 0 HA LYS A 53 28.202 9.209 5.242 1.00 12.50 H new ATOM 0 HB2 LYS A 53 30.499 10.214 5.179 1.00 22.14 H new ATOM 0 HB3 LYS A 53 30.473 8.533 5.675 1.00 22.14 H new ATOM 0 HG2 LYS A 53 30.917 9.173 2.769 1.00 40.14 H new ATOM 0 HG3 LYS A 53 32.233 9.424 3.899 1.00 40.14 H new ATOM 0 HD2 LYS A 53 31.684 6.993 4.723 1.00 42.22 H new ATOM 0 HD3 LYS A 53 30.811 6.842 3.211 1.00 42.22 H new ATOM 0 HE2 LYS A 53 33.033 6.022 2.813 1.00 75.50 H new ATOM 0 HE3 LYS A 53 32.908 7.567 1.995 1.00 75.50 H new ATOM 0 HZ1 LYS A 53 34.967 7.108 3.411 1.00 70.32 H new ATOM 0 HZ2 LYS A 53 34.210 8.618 3.590 1.00 70.32 H new ATOM 0 HZ3 LYS A 53 33.970 7.405 4.753 1.00 70.32 H new TER 867 LYS A 53