USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 474 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 THR N :NH3+ 165:sc= -0.132 (180deg=-0.589) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= -0.139 (180deg=-0.209) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.309 F(o=-1.5,f=-0.31) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 22:sc= -1.5 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 7:sc= 1.14 USER MOD Single : A 31 LYS NZ :NH3+ 165:sc=-0.00471 (180deg=-0.147) USER MOD Single : A 35 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.03) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.116) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -0.814 (180deg=-2.16) USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= -0.119 (180deg=-3.03!) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.566 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 12.196 20.212 12.551 1.00 0.00 N ATOM 2 CA THR A 1 11.601 20.393 11.205 1.00 0.00 C ATOM 3 C THR A 1 11.740 19.127 10.363 1.00 0.00 C ATOM 4 O THR A 1 12.842 18.759 9.955 1.00 0.00 O ATOM 5 CB THR A 1 12.300 21.567 10.517 1.00 0.00 C ATOM 6 OG1 THR A 1 11.910 21.648 9.152 1.00 0.00 O ATOM 7 CG2 THR A 1 13.805 21.473 10.555 1.00 0.00 C ATOM 0 H1 THR A 1 12.318 21.140 13.004 1.00 0.00 H new ATOM 0 H2 THR A 1 11.566 19.623 13.132 1.00 0.00 H new ATOM 0 H3 THR A 1 13.121 19.746 12.462 1.00 0.00 H new ATOM 0 HA THR A 1 10.536 20.599 11.310 1.00 0.00 H new ATOM 0 HB THR A 1 11.994 22.453 11.073 1.00 0.00 H new ATOM 0 HG1 THR A 1 12.364 22.405 8.726 1.00 0.00 H new ATOM 0 HG21 THR A 1 14.236 22.337 10.050 1.00 0.00 H new ATOM 0 HG22 THR A 1 14.142 21.453 11.591 1.00 0.00 H new ATOM 0 HG23 THR A 1 14.125 20.561 10.052 1.00 0.00 H new ATOM 17 N THR A 2 10.618 18.464 10.106 1.00 0.00 N ATOM 18 CA THR A 2 10.618 17.239 9.313 1.00 0.00 C ATOM 19 C THR A 2 9.877 17.444 7.997 1.00 0.00 C ATOM 20 O THR A 2 8.646 17.487 7.966 1.00 0.00 O ATOM 21 CB THR A 2 9.972 16.096 10.101 1.00 0.00 C ATOM 22 OG1 THR A 2 10.315 16.183 11.477 1.00 0.00 O ATOM 23 CG2 THR A 2 10.385 14.724 9.612 1.00 0.00 C ATOM 0 H THR A 2 9.697 18.754 10.435 1.00 0.00 H new ATOM 0 HA THR A 2 11.653 16.980 9.091 1.00 0.00 H new ATOM 0 HB THR A 2 8.898 16.209 9.951 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.893 15.446 11.967 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.892 13.960 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.095 14.607 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.466 14.615 9.703 1.00 0.00 H new ATOM 31 N TYR A 3 10.632 17.571 6.912 1.00 0.00 N ATOM 32 CA TYR A 3 10.046 17.773 5.592 1.00 0.00 C ATOM 33 C TYR A 3 11.005 17.318 4.497 1.00 0.00 C ATOM 34 O TYR A 3 11.861 18.082 4.049 1.00 0.00 O ATOM 35 CB TYR A 3 9.685 19.245 5.390 1.00 0.00 C ATOM 36 CG TYR A 3 8.595 19.469 4.372 1.00 0.00 C ATOM 37 CD1 TYR A 3 7.252 19.327 4.712 1.00 0.00 C ATOM 38 CD2 TYR A 3 8.898 19.819 3.060 1.00 0.00 C ATOM 39 CE1 TYR A 3 6.254 19.531 3.786 1.00 0.00 C ATOM 40 CE2 TYR A 3 7.905 20.025 2.127 1.00 0.00 C ATOM 41 CZ TYR A 3 6.583 19.878 2.492 1.00 0.00 C ATOM 42 OH TYR A 3 5.591 20.083 1.566 1.00 0.00 O ATOM 0 H TYR A 3 11.651 17.538 6.920 1.00 0.00 H new ATOM 0 HA TYR A 3 9.139 17.172 5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.370 19.667 6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.577 19.789 5.080 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.988 19.051 5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.931 19.931 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.218 19.420 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.161 20.300 1.114 1.00 0.00 H new ATOM 0 HH TYR A 3 5.992 20.322 0.704 1.00 0.00 H new ATOM 52 N LYS A 4 10.859 16.068 4.074 1.00 0.00 N ATOM 53 CA LYS A 4 11.708 15.508 3.026 1.00 0.00 C ATOM 54 C LYS A 4 10.878 15.037 1.839 1.00 0.00 C ATOM 55 O LYS A 4 11.194 14.031 1.205 1.00 0.00 O ATOM 56 CB LYS A 4 12.538 14.348 3.581 1.00 0.00 C ATOM 57 CG LYS A 4 11.695 13.235 4.185 1.00 0.00 C ATOM 58 CD LYS A 4 12.526 12.328 5.074 1.00 0.00 C ATOM 59 CE LYS A 4 12.364 12.684 6.548 1.00 0.00 C ATOM 60 NZ LYS A 4 12.680 14.110 6.810 1.00 0.00 N ATOM 0 H LYS A 4 10.160 15.421 4.440 1.00 0.00 H new ATOM 0 HA LYS A 4 12.379 16.294 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.152 13.935 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.220 14.730 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.880 13.668 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.241 12.647 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.230 11.291 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.576 12.406 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.341 12.475 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.017 12.051 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.674 14.284 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.621 14.333 6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.967 14.713 6.352 1.00 0.00 H new ATOM 74 N LEU A 5 9.821 15.782 1.537 1.00 0.00 N ATOM 75 CA LEU A 5 8.953 15.450 0.418 1.00 0.00 C ATOM 76 C LEU A 5 8.165 14.173 0.696 1.00 0.00 C ATOM 77 O LEU A 5 6.943 14.207 0.848 1.00 0.00 O ATOM 78 CB LEU A 5 9.781 15.288 -0.849 1.00 0.00 C ATOM 79 CG LEU A 5 9.294 16.100 -2.054 1.00 0.00 C ATOM 80 CD1 LEU A 5 9.959 17.467 -2.081 1.00 0.00 C ATOM 81 CD2 LEU A 5 9.562 15.348 -3.349 1.00 0.00 C ATOM 0 H LEU A 5 9.546 16.619 2.052 1.00 0.00 H new ATOM 0 HA LEU A 5 8.242 16.265 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.810 15.573 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.794 14.233 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 5 8.218 16.245 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.601 18.029 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.714 18.009 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.040 17.345 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.209 15.940 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.633 15.171 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.036 14.393 -3.331 1.00 0.00 H new ATOM 93 N ILE A 6 8.869 13.048 0.758 1.00 0.00 N ATOM 94 CA ILE A 6 8.236 11.760 1.017 1.00 0.00 C ATOM 95 C ILE A 6 7.493 11.770 2.349 1.00 0.00 C ATOM 96 O ILE A 6 8.053 11.407 3.385 1.00 0.00 O ATOM 97 CB ILE A 6 9.269 10.618 1.025 1.00 0.00 C ATOM 98 CG1 ILE A 6 10.162 10.694 -0.217 1.00 0.00 C ATOM 99 CG2 ILE A 6 8.568 9.270 1.100 1.00 0.00 C ATOM 100 CD1 ILE A 6 11.640 10.636 0.099 1.00 0.00 C ATOM 0 H ILE A 6 9.880 13.002 0.632 1.00 0.00 H new ATOM 0 HA ILE A 6 7.524 11.589 0.209 1.00 0.00 H new ATOM 0 HB ILE A 6 9.900 10.727 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.909 9.873 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.949 11.619 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.312 8.473 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.975 9.219 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.914 9.151 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.213 10.695 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 6 11.907 11.473 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.867 9.699 0.607 1.00 0.00 H new ATOM 112 N LEU A 7 6.231 12.186 2.316 1.00 0.00 N ATOM 113 CA LEU A 7 5.413 12.242 3.520 1.00 0.00 C ATOM 114 C LEU A 7 4.054 11.591 3.285 1.00 0.00 C ATOM 115 O LEU A 7 3.514 11.649 2.180 1.00 0.00 O ATOM 116 CB LEU A 7 5.225 13.691 3.972 1.00 0.00 C ATOM 117 CG LEU A 7 5.324 13.917 5.481 1.00 0.00 C ATOM 118 CD1 LEU A 7 6.765 13.834 5.932 1.00 0.00 C ATOM 119 CD2 LEU A 7 4.717 15.261 5.859 1.00 0.00 C ATOM 0 H LEU A 7 5.753 12.489 1.467 1.00 0.00 H new ATOM 0 HA LEU A 7 5.931 11.690 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.974 14.310 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.249 14.038 3.631 1.00 0.00 H new ATOM 0 HG LEU A 7 4.760 13.134 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.819 13.997 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.165 12.848 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.351 14.597 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.796 15.406 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.253 16.059 5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.667 15.281 5.566 1.00 0.00 H new ATOM 131 N ASN A 8 3.511 10.970 4.334 1.00 0.00 N ATOM 132 CA ASN A 8 2.196 10.289 4.252 1.00 0.00 C ATOM 133 C ASN A 8 2.342 8.859 3.734 1.00 0.00 C ATOM 134 O ASN A 8 1.437 8.040 3.897 1.00 0.00 O ATOM 135 CB ASN A 8 1.241 11.072 3.341 1.00 0.00 C ATOM 136 CG ASN A 8 -0.170 11.125 3.893 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.956 10.092 3.609 1.00 0.00 O flip ATOM 138 ND2 ASN A 8 -0.551 12.083 4.567 1.00 0.00 N flip ATOM 0 H ASN A 8 3.952 10.919 5.252 1.00 0.00 H new ATOM 0 HA ASN A 8 1.783 10.251 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.616 12.087 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.225 10.611 2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.086 12.856 4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.504 12.104 4.931 1.00 0.00 H new ATOM 145 N LEU A 9 3.487 8.553 3.128 1.00 0.00 N ATOM 146 CA LEU A 9 3.745 7.215 2.613 1.00 0.00 C ATOM 147 C LEU A 9 4.352 6.363 3.710 1.00 0.00 C ATOM 148 O LEU A 9 4.019 5.191 3.868 1.00 0.00 O ATOM 149 CB LEU A 9 4.679 7.266 1.404 1.00 0.00 C ATOM 150 CG LEU A 9 4.021 7.720 0.100 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.965 6.719 -0.341 1.00 0.00 C ATOM 152 CD2 LEU A 9 3.410 9.103 0.266 1.00 0.00 C ATOM 0 H LEU A 9 4.249 9.215 2.983 1.00 0.00 H new ATOM 0 HA LEU A 9 2.802 6.774 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.506 7.939 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.107 6.275 1.252 1.00 0.00 H new ATOM 0 HG LEU A 9 4.788 7.773 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.507 7.058 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.430 5.746 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.200 6.634 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.946 9.411 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.656 9.076 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.190 9.815 0.536 1.00 0.00 H new ATOM 164 N LYS A 10 5.237 6.989 4.477 1.00 0.00 N ATOM 165 CA LYS A 10 5.902 6.336 5.594 1.00 0.00 C ATOM 166 C LYS A 10 4.890 5.539 6.408 1.00 0.00 C ATOM 167 O LYS A 10 5.181 4.452 6.907 1.00 0.00 O ATOM 168 CB LYS A 10 6.576 7.394 6.464 1.00 0.00 C ATOM 169 CG LYS A 10 8.073 7.198 6.606 1.00 0.00 C ATOM 170 CD LYS A 10 8.553 7.551 8.009 1.00 0.00 C ATOM 171 CE LYS A 10 9.787 8.438 7.974 1.00 0.00 C ATOM 172 NZ LYS A 10 11.016 7.666 7.646 1.00 0.00 N ATOM 0 H LYS A 10 5.512 7.962 4.341 1.00 0.00 H new ATOM 0 HA LYS A 10 6.659 5.647 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.386 8.379 6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.121 7.382 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.328 6.162 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.593 7.818 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.755 8.059 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.778 6.636 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.646 9.227 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.912 8.925 8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.835 8.307 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.165 6.929 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.908 7.222 6.712 1.00 0.00 H new ATOM 186 N GLN A 11 3.689 6.097 6.517 1.00 0.00 N ATOM 187 CA GLN A 11 2.601 5.464 7.244 1.00 0.00 C ATOM 188 C GLN A 11 2.037 4.298 6.436 1.00 0.00 C ATOM 189 O GLN A 11 1.754 3.231 6.979 1.00 0.00 O ATOM 190 CB GLN A 11 1.505 6.494 7.534 1.00 0.00 C ATOM 191 CG GLN A 11 0.197 5.888 8.023 1.00 0.00 C ATOM 192 CD GLN A 11 -0.824 6.940 8.408 1.00 0.00 C ATOM 193 OE1 GLN A 11 -0.848 8.034 7.844 1.00 0.00 O ATOM 194 NE2 GLN A 11 -1.673 6.615 9.375 1.00 0.00 N ATOM 0 H GLN A 11 3.446 6.998 6.105 1.00 0.00 H new ATOM 0 HA GLN A 11 2.980 5.077 8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.870 7.196 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.311 7.067 6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.219 5.252 7.242 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.396 5.248 8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.617 5.697 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.381 7.284 9.678 1.00 0.00 H new ATOM 203 N ALA A 12 1.886 4.514 5.133 1.00 0.00 N ATOM 204 CA ALA A 12 1.365 3.486 4.241 1.00 0.00 C ATOM 205 C ALA A 12 2.318 2.299 4.175 1.00 0.00 C ATOM 206 O ALA A 12 1.897 1.147 4.272 1.00 0.00 O ATOM 207 CB ALA A 12 1.138 4.058 2.850 1.00 0.00 C ATOM 0 H ALA A 12 2.118 5.394 4.671 1.00 0.00 H new ATOM 0 HA ALA A 12 0.410 3.140 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.749 3.278 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.420 4.877 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.082 4.429 2.451 1.00 0.00 H new ATOM 213 N LYS A 13 3.605 2.591 4.013 1.00 0.00 N ATOM 214 CA LYS A 13 4.617 1.544 3.941 1.00 0.00 C ATOM 215 C LYS A 13 4.679 0.770 5.253 1.00 0.00 C ATOM 216 O LYS A 13 4.798 -0.456 5.260 1.00 0.00 O ATOM 217 CB LYS A 13 5.986 2.145 3.621 1.00 0.00 C ATOM 218 CG LYS A 13 6.456 3.162 4.647 1.00 0.00 C ATOM 219 CD LYS A 13 7.854 3.669 4.326 1.00 0.00 C ATOM 220 CE LYS A 13 7.849 4.588 3.116 1.00 0.00 C ATOM 221 NZ LYS A 13 9.155 4.577 2.403 1.00 0.00 N ATOM 0 H LYS A 13 3.970 3.540 3.929 1.00 0.00 H new ATOM 0 HA LYS A 13 4.341 0.856 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.720 1.342 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.945 2.621 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.761 4.001 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.450 2.710 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.255 4.202 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.515 2.823 4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.059 4.281 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.618 5.605 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.109 5.217 1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.906 4.895 3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.364 3.612 2.077 1.00 0.00 H new ATOM 235 N GLU A 14 4.586 1.496 6.363 1.00 0.00 N ATOM 236 CA GLU A 14 4.621 0.872 7.685 1.00 0.00 C ATOM 237 C GLU A 14 3.342 0.080 7.925 1.00 0.00 C ATOM 238 O GLU A 14 3.356 -0.964 8.577 1.00 0.00 O ATOM 239 CB GLU A 14 4.806 1.912 8.799 1.00 0.00 C ATOM 240 CG GLU A 14 4.980 1.295 10.176 1.00 0.00 C ATOM 241 CD GLU A 14 5.267 2.329 11.246 1.00 0.00 C ATOM 242 OE1 GLU A 14 4.735 3.455 11.142 1.00 0.00 O ATOM 243 OE2 GLU A 14 6.015 2.011 12.183 1.00 0.00 O ATOM 0 H GLU A 14 4.486 2.511 6.376 1.00 0.00 H new ATOM 0 HA GLU A 14 5.478 0.198 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.677 2.527 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.942 2.576 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.077 0.745 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.796 0.573 10.146 1.00 0.00 H new ATOM 250 N GLU A 15 2.235 0.582 7.386 1.00 0.00 N ATOM 251 CA GLU A 15 0.946 -0.082 7.531 1.00 0.00 C ATOM 252 C GLU A 15 0.855 -1.279 6.592 1.00 0.00 C ATOM 253 O GLU A 15 0.261 -2.303 6.929 1.00 0.00 O ATOM 254 CB GLU A 15 -0.195 0.896 7.246 1.00 0.00 C ATOM 255 CG GLU A 15 -1.535 0.444 7.803 1.00 0.00 C ATOM 256 CD GLU A 15 -2.515 1.590 7.972 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.302 2.647 7.344 1.00 0.00 O ATOM 258 OE2 GLU A 15 -3.492 1.429 8.733 1.00 0.00 O ATOM 0 H GLU A 15 2.206 1.446 6.845 1.00 0.00 H new ATOM 0 HA GLU A 15 0.856 -0.435 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.056 1.868 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.286 1.032 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.967 -0.303 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.379 -0.040 8.767 1.00 0.00 H new ATOM 265 N ALA A 16 1.456 -1.144 5.414 1.00 0.00 N ATOM 266 CA ALA A 16 1.450 -2.218 4.426 1.00 0.00 C ATOM 267 C ALA A 16 2.117 -3.468 4.988 1.00 0.00 C ATOM 268 O ALA A 16 1.563 -4.566 4.914 1.00 0.00 O ATOM 269 CB ALA A 16 2.147 -1.767 3.150 1.00 0.00 C ATOM 0 H ALA A 16 1.953 -0.303 5.120 1.00 0.00 H new ATOM 0 HA ALA A 16 0.415 -2.462 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.135 -2.579 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.627 -0.902 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.179 -1.497 3.375 1.00 0.00 H new ATOM 275 N ILE A 17 3.304 -3.293 5.560 1.00 0.00 N ATOM 276 CA ILE A 17 4.039 -4.409 6.146 1.00 0.00 C ATOM 277 C ILE A 17 3.308 -4.947 7.375 1.00 0.00 C ATOM 278 O ILE A 17 3.116 -6.153 7.523 1.00 0.00 O ATOM 279 CB ILE A 17 5.482 -4.005 6.544 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.178 -5.165 7.276 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.470 -2.759 7.417 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.004 -6.493 6.577 1.00 0.00 C ATOM 0 H ILE A 17 3.777 -2.392 5.630 1.00 0.00 H new ATOM 0 HA ILE A 17 4.098 -5.187 5.384 1.00 0.00 H new ATOM 0 HB ILE A 17 6.039 -3.780 5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.242 -4.945 7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.781 -5.239 8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.492 -2.493 7.685 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.012 -1.935 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.897 -2.955 8.323 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.517 -7.271 7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.943 -6.733 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.426 -6.434 5.574 1.00 0.00 H new ATOM 294 N LYS A 18 2.901 -4.030 8.243 1.00 0.00 N ATOM 295 CA LYS A 18 2.180 -4.368 9.469 1.00 0.00 C ATOM 296 C LYS A 18 0.956 -5.211 9.157 1.00 0.00 C ATOM 297 O LYS A 18 0.741 -6.260 9.766 1.00 0.00 O ATOM 298 CB LYS A 18 1.760 -3.091 10.203 1.00 0.00 C ATOM 299 CG LYS A 18 1.030 -3.351 11.509 1.00 0.00 C ATOM 300 CD LYS A 18 0.478 -2.066 12.104 1.00 0.00 C ATOM 301 CE LYS A 18 1.392 -1.516 13.187 1.00 0.00 C ATOM 302 NZ LYS A 18 1.024 -2.030 14.536 1.00 0.00 N ATOM 0 H LYS A 18 3.060 -3.030 8.119 1.00 0.00 H new ATOM 0 HA LYS A 18 2.846 -4.946 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.647 -2.490 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.118 -2.501 9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.214 -4.054 11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.710 -3.820 12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.356 -1.322 11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.511 -2.253 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.424 -1.787 12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.341 -0.427 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.670 -1.632 15.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.048 -1.750 14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.097 -3.067 14.544 1.00 0.00 H new ATOM 316 N GLU A 19 0.163 -4.767 8.186 1.00 0.00 N ATOM 317 CA GLU A 19 -1.023 -5.510 7.791 1.00 0.00 C ATOM 318 C GLU A 19 -0.608 -6.901 7.357 1.00 0.00 C ATOM 319 O GLU A 19 -1.208 -7.896 7.762 1.00 0.00 O ATOM 320 CB GLU A 19 -1.768 -4.794 6.662 1.00 0.00 C ATOM 321 CG GLU A 19 -2.258 -3.407 7.044 1.00 0.00 C ATOM 322 CD GLU A 19 -3.770 -3.302 7.051 1.00 0.00 C ATOM 323 OE1 GLU A 19 -4.437 -4.341 7.241 1.00 0.00 O ATOM 324 OE2 GLU A 19 -4.290 -2.181 6.867 1.00 0.00 O ATOM 0 H GLU A 19 0.320 -3.905 7.664 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.703 -5.578 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.110 -4.713 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.621 -5.401 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.876 -3.150 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.850 -2.677 6.345 1.00 0.00 H new ATOM 331 N LEU A 20 0.457 -6.968 6.566 1.00 0.00 N ATOM 332 CA LEU A 20 0.981 -8.242 6.129 1.00 0.00 C ATOM 333 C LEU A 20 1.421 -9.033 7.350 1.00 0.00 C ATOM 334 O LEU A 20 1.239 -10.246 7.429 1.00 0.00 O ATOM 335 CB LEU A 20 2.157 -8.034 5.189 1.00 0.00 C ATOM 336 CG LEU A 20 2.133 -8.921 3.955 1.00 0.00 C ATOM 337 CD1 LEU A 20 1.355 -8.234 2.850 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.549 -9.253 3.509 1.00 0.00 C ATOM 0 H LEU A 20 0.967 -6.156 6.220 1.00 0.00 H new ATOM 0 HA LEU A 20 0.208 -8.791 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.175 -6.991 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.082 -8.217 5.736 1.00 0.00 H new ATOM 0 HG LEU A 20 1.636 -9.860 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.339 -8.871 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.334 -8.051 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.832 -7.285 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.512 -9.889 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.081 -8.332 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.070 -9.777 4.311 1.00 0.00 H new ATOM 350 N VAL A 21 1.994 -8.310 8.312 1.00 0.00 N ATOM 351 CA VAL A 21 2.453 -8.918 9.551 1.00 0.00 C ATOM 352 C VAL A 21 1.277 -9.521 10.308 1.00 0.00 C ATOM 353 O VAL A 21 1.409 -10.561 10.953 1.00 0.00 O ATOM 354 CB VAL A 21 3.188 -7.916 10.471 1.00 0.00 C ATOM 355 CG1 VAL A 21 3.727 -8.628 11.704 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.314 -7.224 9.716 1.00 0.00 C ATOM 0 H VAL A 21 2.149 -7.304 8.253 1.00 0.00 H new ATOM 0 HA VAL A 21 3.164 -9.696 9.272 1.00 0.00 H new ATOM 0 HB VAL A 21 2.477 -7.156 10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.242 -7.910 12.343 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.901 -9.077 12.255 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.425 -9.408 11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.820 -6.523 10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.027 -7.969 9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.902 -6.684 8.863 1.00 0.00 H new ATOM 366 N ASP A 22 0.121 -8.863 10.221 1.00 0.00 N ATOM 367 CA ASP A 22 -1.078 -9.341 10.897 1.00 0.00 C ATOM 368 C ASP A 22 -1.617 -10.605 10.229 1.00 0.00 C ATOM 369 O ASP A 22 -2.374 -11.362 10.837 1.00 0.00 O ATOM 370 CB ASP A 22 -2.153 -8.253 10.903 1.00 0.00 C ATOM 371 CG ASP A 22 -1.899 -7.200 11.965 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.042 -7.521 13.164 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.555 -6.056 11.599 1.00 0.00 O ATOM 0 H ASP A 22 -0.007 -8.001 9.691 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.811 -9.584 11.925 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.190 -7.777 9.923 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.128 -8.709 11.073 1.00 0.00 H new ATOM 378 N ALA A 23 -1.226 -10.830 8.977 1.00 0.00 N ATOM 379 CA ALA A 23 -1.675 -12.006 8.237 1.00 0.00 C ATOM 380 C ALA A 23 -0.499 -12.740 7.605 1.00 0.00 C ATOM 381 O ALA A 23 0.011 -13.714 8.171 1.00 0.00 O ATOM 382 CB ALA A 23 -2.687 -11.604 7.172 1.00 0.00 C ATOM 0 H ALA A 23 -0.601 -10.215 8.455 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.155 -12.686 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.014 -12.490 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.547 -11.132 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.225 -10.902 6.478 1.00 0.00 H new ATOM 388 N GLY A 24 -0.068 -12.289 6.431 1.00 0.00 N ATOM 389 CA GLY A 24 1.044 -12.922 5.748 1.00 0.00 C ATOM 390 C GLY A 24 0.983 -12.726 4.245 1.00 0.00 C ATOM 391 O GLY A 24 1.668 -11.864 3.698 1.00 0.00 O ATOM 0 H GLY A 24 -0.472 -11.492 5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.981 -12.514 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.046 -13.988 5.973 1.00 0.00 H new ATOM 395 N THR A 25 0.157 -13.530 3.580 1.00 0.00 N ATOM 396 CA THR A 25 -0.010 -13.453 2.127 1.00 0.00 C ATOM 397 C THR A 25 1.318 -13.221 1.404 1.00 0.00 C ATOM 398 O THR A 25 2.394 -13.426 1.970 1.00 0.00 O ATOM 399 CB THR A 25 -1.006 -12.347 1.771 1.00 0.00 C ATOM 400 OG1 THR A 25 -1.463 -12.498 0.439 1.00 0.00 O ATOM 401 CG2 THR A 25 -0.435 -10.952 1.907 1.00 0.00 C ATOM 0 H THR A 25 -0.412 -14.249 4.027 1.00 0.00 H new ATOM 0 HA THR A 25 -0.398 -14.415 1.791 1.00 0.00 H new ATOM 0 HB THR A 25 -1.822 -12.454 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.336 -13.427 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.196 -10.219 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.120 -10.787 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.423 -10.844 1.243 1.00 0.00 H new ATOM 409 N ALA A 26 1.229 -12.805 0.144 1.00 0.00 N ATOM 410 CA ALA A 26 2.408 -12.546 -0.668 1.00 0.00 C ATOM 411 C ALA A 26 3.021 -11.183 -0.349 1.00 0.00 C ATOM 412 O ALA A 26 2.460 -10.150 -0.683 1.00 0.00 O ATOM 413 CB ALA A 26 2.045 -12.623 -2.141 1.00 0.00 C ATOM 0 H ALA A 26 0.345 -12.640 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 26 3.152 -13.307 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.931 -12.428 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.661 -13.617 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.281 -11.879 -2.367 1.00 0.00 H new ATOM 419 N GLU A 27 4.187 -11.202 0.289 1.00 0.00 N ATOM 420 CA GLU A 27 4.883 -9.969 0.639 1.00 0.00 C ATOM 421 C GLU A 27 5.267 -9.206 -0.620 1.00 0.00 C ATOM 422 O GLU A 27 5.360 -7.977 -0.607 1.00 0.00 O ATOM 423 CB GLU A 27 6.135 -10.282 1.469 1.00 0.00 C ATOM 424 CG GLU A 27 7.172 -11.106 0.723 1.00 0.00 C ATOM 425 CD GLU A 27 8.298 -10.258 0.165 1.00 0.00 C ATOM 426 OE1 GLU A 27 8.602 -9.202 0.765 1.00 0.00 O ATOM 427 OE2 GLU A 27 8.873 -10.648 -0.875 1.00 0.00 O ATOM 0 H GLU A 27 4.669 -12.055 0.573 1.00 0.00 H new ATOM 0 HA GLU A 27 4.214 -9.349 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.591 -9.345 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.838 -10.818 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.586 -11.857 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.687 -11.642 -0.093 1.00 0.00 H new ATOM 434 N LYS A 28 5.481 -9.927 -1.713 1.00 0.00 N ATOM 435 CA LYS A 28 5.838 -9.309 -2.982 1.00 0.00 C ATOM 436 C LYS A 28 4.916 -8.137 -3.272 1.00 0.00 C ATOM 437 O LYS A 28 5.305 -7.170 -3.928 1.00 0.00 O ATOM 438 CB LYS A 28 5.760 -10.337 -4.117 1.00 0.00 C ATOM 439 CG LYS A 28 7.071 -11.063 -4.373 1.00 0.00 C ATOM 440 CD LYS A 28 7.056 -12.464 -3.787 1.00 0.00 C ATOM 441 CE LYS A 28 8.117 -12.634 -2.710 1.00 0.00 C ATOM 442 NZ LYS A 28 8.620 -14.029 -2.641 1.00 0.00 N ATOM 0 H LYS A 28 5.413 -10.944 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 28 6.862 -8.942 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.989 -11.070 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.449 -9.833 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.254 -11.118 -5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.893 -10.495 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.073 -12.672 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.223 -13.192 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.948 -11.958 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.701 -12.350 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.341 -14.102 -1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.832 -14.672 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.040 -14.292 -3.555 1.00 0.00 H new ATOM 456 N TYR A 29 3.689 -8.214 -2.759 1.00 0.00 N ATOM 457 CA TYR A 29 2.727 -7.144 -2.948 1.00 0.00 C ATOM 458 C TYR A 29 3.247 -5.869 -2.294 1.00 0.00 C ATOM 459 O TYR A 29 3.077 -4.772 -2.826 1.00 0.00 O ATOM 460 CB TYR A 29 1.368 -7.539 -2.376 1.00 0.00 C ATOM 461 CG TYR A 29 0.254 -7.461 -3.377 1.00 0.00 C ATOM 462 CD1 TYR A 29 -0.349 -6.255 -3.699 1.00 0.00 C ATOM 463 CD2 TYR A 29 -0.194 -8.610 -4.002 1.00 0.00 C ATOM 464 CE1 TYR A 29 -1.374 -6.200 -4.621 1.00 0.00 C ATOM 465 CE2 TYR A 29 -1.214 -8.566 -4.919 1.00 0.00 C ATOM 466 CZ TYR A 29 -1.804 -7.360 -5.230 1.00 0.00 C ATOM 467 OH TYR A 29 -2.827 -7.314 -6.150 1.00 0.00 O ATOM 0 H TYR A 29 3.345 -9.004 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 29 2.597 -6.962 -4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.427 -8.556 -1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.135 -6.889 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.012 -5.347 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.266 -9.558 -3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.836 -5.255 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.553 -9.474 -5.396 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.059 -6.380 -6.335 1.00 0.00 H new ATOM 477 N ILE A 30 3.919 -6.026 -1.153 1.00 0.00 N ATOM 478 CA ILE A 30 4.504 -4.891 -0.455 1.00 0.00 C ATOM 479 C ILE A 30 5.560 -4.263 -1.345 1.00 0.00 C ATOM 480 O ILE A 30 5.660 -3.044 -1.458 1.00 0.00 O ATOM 481 CB ILE A 30 5.130 -5.306 0.902 1.00 0.00 C ATOM 482 CG1 ILE A 30 4.086 -5.211 2.013 1.00 0.00 C ATOM 483 CG2 ILE A 30 6.342 -4.444 1.243 1.00 0.00 C ATOM 484 CD1 ILE A 30 2.731 -5.743 1.610 1.00 0.00 C ATOM 0 H ILE A 30 4.069 -6.926 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 30 3.713 -4.173 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 30 5.468 -6.339 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.441 -5.763 2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.983 -4.169 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.756 -4.761 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.098 -4.555 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.039 -3.399 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.038 -5.645 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.355 -5.175 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.820 -6.794 1.334 1.00 0.00 H new ATOM 496 N LYS A 31 6.328 -5.119 -2.009 1.00 0.00 N ATOM 497 CA LYS A 31 7.357 -4.652 -2.926 1.00 0.00 C ATOM 498 C LYS A 31 6.736 -3.696 -3.943 1.00 0.00 C ATOM 499 O LYS A 31 7.385 -2.765 -4.420 1.00 0.00 O ATOM 500 CB LYS A 31 8.020 -5.832 -3.639 1.00 0.00 C ATOM 501 CG LYS A 31 9.126 -5.419 -4.600 1.00 0.00 C ATOM 502 CD LYS A 31 10.481 -5.964 -4.169 1.00 0.00 C ATOM 503 CE LYS A 31 11.451 -4.844 -3.829 1.00 0.00 C ATOM 504 NZ LYS A 31 10.972 -4.022 -2.683 1.00 0.00 N ATOM 0 H LYS A 31 6.258 -6.133 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 31 8.125 -4.125 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.433 -6.511 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.260 -6.387 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.891 -5.779 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.172 -4.331 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.354 -6.612 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.898 -6.578 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.426 -5.269 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.588 -4.205 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.756 -3.443 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.200 -3.401 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.625 -4.648 -1.928 1.00 0.00 H new ATOM 518 N LEU A 32 5.464 -3.938 -4.255 1.00 0.00 N ATOM 519 CA LEU A 32 4.727 -3.107 -5.201 1.00 0.00 C ATOM 520 C LEU A 32 4.257 -1.811 -4.543 1.00 0.00 C ATOM 521 O LEU A 32 4.152 -0.775 -5.199 1.00 0.00 O ATOM 522 CB LEU A 32 3.516 -3.875 -5.749 1.00 0.00 C ATOM 523 CG LEU A 32 3.328 -3.791 -7.264 1.00 0.00 C ATOM 524 CD1 LEU A 32 2.151 -4.648 -7.703 1.00 0.00 C ATOM 525 CD2 LEU A 32 3.128 -2.345 -7.695 1.00 0.00 C ATOM 0 H LEU A 32 4.921 -4.708 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 32 5.399 -2.855 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.612 -4.924 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.616 -3.497 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 32 4.228 -4.172 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.032 -4.576 -8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.334 -5.686 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.243 -4.297 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.996 -2.303 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.243 -1.938 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.002 -1.757 -7.413 1.00 0.00 H new ATOM 537 N ILE A 33 3.963 -1.875 -3.245 1.00 0.00 N ATOM 538 CA ILE A 33 3.492 -0.703 -2.513 1.00 0.00 C ATOM 539 C ILE A 33 4.631 0.272 -2.224 1.00 0.00 C ATOM 540 O ILE A 33 4.414 1.482 -2.140 1.00 0.00 O ATOM 541 CB ILE A 33 2.770 -1.091 -1.197 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.770 -1.389 -0.072 1.00 0.00 C ATOM 543 CG2 ILE A 33 1.855 -2.283 -1.430 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.798 -0.327 1.007 1.00 0.00 C ATOM 0 H ILE A 33 4.042 -2.722 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 33 2.768 -0.205 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 33 2.167 -0.239 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.521 -2.349 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.768 -1.488 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.354 -2.545 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.110 -2.028 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.444 -3.132 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.526 -0.602 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.077 0.631 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.811 -0.244 1.461 1.00 0.00 H new ATOM 556 N ALA A 34 5.843 -0.253 -2.079 1.00 0.00 N ATOM 557 CA ALA A 34 7.009 0.582 -1.809 1.00 0.00 C ATOM 558 C ALA A 34 7.158 1.670 -2.869 1.00 0.00 C ATOM 559 O ALA A 34 7.679 2.752 -2.595 1.00 0.00 O ATOM 560 CB ALA A 34 8.266 -0.271 -1.746 1.00 0.00 C ATOM 0 H ALA A 34 6.044 -1.251 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 34 6.865 1.066 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.128 0.365 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.165 -1.009 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.407 -0.782 -2.699 1.00 0.00 H new ATOM 566 N ASN A 35 6.694 1.374 -4.079 1.00 0.00 N ATOM 567 CA ASN A 35 6.769 2.322 -5.188 1.00 0.00 C ATOM 568 C ASN A 35 5.396 2.925 -5.493 1.00 0.00 C ATOM 569 O ASN A 35 5.269 3.779 -6.370 1.00 0.00 O ATOM 570 CB ASN A 35 7.323 1.629 -6.430 1.00 0.00 C ATOM 571 CG ASN A 35 8.734 2.077 -6.756 1.00 0.00 C ATOM 572 OD1 ASN A 35 9.078 2.295 -7.923 1.00 0.00 O ATOM 573 ND2 ASN A 35 9.564 2.219 -5.731 1.00 0.00 N ATOM 0 H ASN A 35 6.260 0.482 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 35 7.438 3.132 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.313 0.550 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.673 1.836 -7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.526 2.518 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.240 2.029 -4.783 1.00 0.00 H new ATOM 580 N ALA A 36 4.372 2.467 -4.769 1.00 0.00 N ATOM 581 CA ALA A 36 3.001 2.946 -4.955 1.00 0.00 C ATOM 582 C ALA A 36 2.949 4.442 -5.253 1.00 0.00 C ATOM 583 O ALA A 36 2.081 4.903 -5.996 1.00 0.00 O ATOM 584 CB ALA A 36 2.167 2.628 -3.724 1.00 0.00 C ATOM 0 H ALA A 36 4.469 1.758 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 36 2.588 2.428 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.149 2.988 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.151 1.550 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.602 3.118 -2.853 1.00 0.00 H new ATOM 590 N LYS A 37 3.878 5.195 -4.670 1.00 0.00 N ATOM 591 CA LYS A 37 3.936 6.640 -4.872 1.00 0.00 C ATOM 592 C LYS A 37 2.722 7.324 -4.248 1.00 0.00 C ATOM 593 O LYS A 37 2.841 8.022 -3.241 1.00 0.00 O ATOM 594 CB LYS A 37 4.020 6.974 -6.365 1.00 0.00 C ATOM 595 CG LYS A 37 5.428 7.289 -6.833 1.00 0.00 C ATOM 596 CD LYS A 37 5.445 8.448 -7.821 1.00 0.00 C ATOM 597 CE LYS A 37 5.923 9.732 -7.164 1.00 0.00 C ATOM 598 NZ LYS A 37 5.112 10.081 -5.965 1.00 0.00 N ATOM 0 H LYS A 37 4.602 4.828 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 37 4.834 7.013 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.633 6.133 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.375 7.827 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.051 7.534 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.863 6.405 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.096 8.203 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.444 8.596 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.969 9.624 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.874 10.548 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.332 11.053 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.101 10.011 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.336 9.423 -5.191 1.00 0.00 H new ATOM 612 N THR A 38 1.555 7.114 -4.849 1.00 0.00 N ATOM 613 CA THR A 38 0.321 7.705 -4.346 1.00 0.00 C ATOM 614 C THR A 38 -0.132 6.998 -3.074 1.00 0.00 C ATOM 615 O THR A 38 -0.080 5.772 -2.982 1.00 0.00 O ATOM 616 CB THR A 38 -0.778 7.631 -5.409 1.00 0.00 C ATOM 617 OG1 THR A 38 -0.480 6.633 -6.370 1.00 0.00 O ATOM 618 CG2 THR A 38 -0.981 8.935 -6.150 1.00 0.00 C ATOM 0 H THR A 38 1.439 6.540 -5.684 1.00 0.00 H new ATOM 0 HA THR A 38 0.513 8.752 -4.112 1.00 0.00 H new ATOM 0 HB THR A 38 -1.692 7.394 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.195 6.600 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.773 8.814 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.260 9.716 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.056 9.215 -6.653 1.00 0.00 H new ATOM 626 N VAL A 39 -0.573 7.777 -2.090 1.00 0.00 N ATOM 627 CA VAL A 39 -1.031 7.221 -0.820 1.00 0.00 C ATOM 628 C VAL A 39 -2.104 6.155 -1.030 1.00 0.00 C ATOM 629 O VAL A 39 -2.047 5.079 -0.438 1.00 0.00 O ATOM 630 CB VAL A 39 -1.591 8.319 0.104 1.00 0.00 C ATOM 631 CG1 VAL A 39 -0.476 9.245 0.569 1.00 0.00 C ATOM 632 CG2 VAL A 39 -2.686 9.104 -0.600 1.00 0.00 C ATOM 0 H VAL A 39 -0.623 8.794 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.161 6.764 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.026 7.842 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.890 10.014 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.271 8.669 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.009 9.715 -0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.069 9.875 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.279 9.571 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.496 8.430 -0.878 1.00 0.00 H new ATOM 642 N GLU A 40 -3.083 6.464 -1.875 1.00 0.00 N ATOM 643 CA GLU A 40 -4.169 5.533 -2.159 1.00 0.00 C ATOM 644 C GLU A 40 -3.638 4.238 -2.771 1.00 0.00 C ATOM 645 O GLU A 40 -4.039 3.144 -2.377 1.00 0.00 O ATOM 646 CB GLU A 40 -5.187 6.175 -3.103 1.00 0.00 C ATOM 647 CG GLU A 40 -6.626 5.797 -2.793 1.00 0.00 C ATOM 648 CD GLU A 40 -7.518 5.845 -4.018 1.00 0.00 C ATOM 649 OE1 GLU A 40 -7.058 5.435 -5.105 1.00 0.00 O ATOM 650 OE2 GLU A 40 -8.679 6.289 -3.890 1.00 0.00 O ATOM 0 H GLU A 40 -3.146 7.351 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.658 5.292 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.085 7.259 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.956 5.882 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.651 4.793 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.020 6.473 -2.034 1.00 0.00 H new ATOM 657 N GLY A 41 -2.736 4.372 -3.739 1.00 0.00 N ATOM 658 CA GLY A 41 -2.169 3.207 -4.391 1.00 0.00 C ATOM 659 C GLY A 41 -1.497 2.256 -3.417 1.00 0.00 C ATOM 660 O GLY A 41 -1.378 1.059 -3.687 1.00 0.00 O ATOM 0 H GLY A 41 -2.388 5.267 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.957 2.676 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.442 3.531 -5.135 1.00 0.00 H new ATOM 664 N VAL A 42 -1.060 2.785 -2.280 1.00 0.00 N ATOM 665 CA VAL A 42 -0.398 1.968 -1.269 1.00 0.00 C ATOM 666 C VAL A 42 -1.423 1.265 -0.385 1.00 0.00 C ATOM 667 O VAL A 42 -1.385 0.043 -0.219 1.00 0.00 O ATOM 668 CB VAL A 42 0.556 2.803 -0.373 1.00 0.00 C ATOM 669 CG1 VAL A 42 1.812 2.012 -0.024 1.00 0.00 C ATOM 670 CG2 VAL A 42 0.931 4.120 -1.038 1.00 0.00 C ATOM 0 H VAL A 42 -1.151 3.771 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 42 0.195 1.229 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 42 0.021 3.028 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.462 2.621 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.533 1.105 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.339 1.744 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.600 4.680 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.433 3.920 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.029 4.704 -1.222 1.00 0.00 H new ATOM 680 N TRP A 43 -2.342 2.042 0.179 1.00 0.00 N ATOM 681 CA TRP A 43 -3.382 1.494 1.045 1.00 0.00 C ATOM 682 C TRP A 43 -4.220 0.460 0.298 1.00 0.00 C ATOM 683 O TRP A 43 -4.720 -0.494 0.894 1.00 0.00 O ATOM 684 CB TRP A 43 -4.286 2.610 1.572 1.00 0.00 C ATOM 685 CG TRP A 43 -3.997 2.996 2.994 1.00 0.00 C ATOM 686 CD1 TRP A 43 -4.617 2.508 4.106 1.00 0.00 C ATOM 687 CD2 TRP A 43 -3.023 3.947 3.461 1.00 0.00 C ATOM 688 NE1 TRP A 43 -4.096 3.091 5.236 1.00 0.00 N ATOM 689 CE2 TRP A 43 -3.118 3.976 4.868 1.00 0.00 C ATOM 690 CE3 TRP A 43 -2.081 4.776 2.836 1.00 0.00 C ATOM 691 CZ2 TRP A 43 -2.312 4.797 5.653 1.00 0.00 C ATOM 692 CZ3 TRP A 43 -1.285 5.589 3.622 1.00 0.00 C ATOM 693 CH2 TRP A 43 -1.403 5.594 5.014 1.00 0.00 C ATOM 0 H TRP A 43 -2.388 3.053 0.052 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.893 1.006 1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.174 3.488 0.936 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.325 2.291 1.495 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.405 1.769 4.100 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.390 2.896 6.193 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.979 4.780 1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.402 4.804 6.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.558 6.233 3.150 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.764 6.240 5.597 1.00 0.00 H new ATOM 704 N THR A 44 -4.376 0.659 -1.008 1.00 0.00 N ATOM 705 CA THR A 44 -5.162 -0.255 -1.828 1.00 0.00 C ATOM 706 C THR A 44 -4.393 -1.543 -2.114 1.00 0.00 C ATOM 707 O THR A 44 -4.966 -2.629 -2.085 1.00 0.00 O ATOM 708 CB THR A 44 -5.575 0.416 -3.139 1.00 0.00 C ATOM 709 OG1 THR A 44 -6.492 -0.397 -3.852 1.00 0.00 O ATOM 710 CG2 THR A 44 -4.413 0.708 -4.060 1.00 0.00 C ATOM 0 H THR A 44 -3.970 1.443 -1.519 1.00 0.00 H new ATOM 0 HA THR A 44 -6.060 -0.513 -1.268 1.00 0.00 H new ATOM 0 HB THR A 44 -6.028 1.362 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.745 0.050 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.780 1.183 -4.970 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.711 1.375 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.909 -0.224 -4.316 1.00 0.00 H new ATOM 718 N LEU A 45 -3.095 -1.424 -2.387 1.00 0.00 N ATOM 719 CA LEU A 45 -2.272 -2.603 -2.673 1.00 0.00 C ATOM 720 C LEU A 45 -2.338 -3.606 -1.519 1.00 0.00 C ATOM 721 O LEU A 45 -2.635 -4.786 -1.728 1.00 0.00 O ATOM 722 CB LEU A 45 -0.818 -2.204 -2.957 1.00 0.00 C ATOM 723 CG LEU A 45 -0.604 -1.495 -4.295 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.688 -0.694 -4.279 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.603 -2.497 -5.439 1.00 0.00 C ATOM 0 H LEU A 45 -2.593 -0.536 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.673 -3.081 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.470 -1.552 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.197 -3.100 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.431 -0.802 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.820 -0.198 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.642 0.054 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.529 -1.363 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.449 -1.972 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.200 -3.218 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.559 -3.019 -5.466 1.00 0.00 H new ATOM 736 N LYS A 46 -2.075 -3.135 -0.301 1.00 0.00 N ATOM 737 CA LYS A 46 -2.118 -4.002 0.875 1.00 0.00 C ATOM 738 C LYS A 46 -3.523 -4.569 1.077 1.00 0.00 C ATOM 739 O LYS A 46 -3.706 -5.784 1.193 1.00 0.00 O ATOM 740 CB LYS A 46 -1.678 -3.234 2.127 1.00 0.00 C ATOM 741 CG LYS A 46 -2.364 -1.887 2.301 1.00 0.00 C ATOM 742 CD LYS A 46 -3.431 -1.938 3.384 1.00 0.00 C ATOM 743 CE LYS A 46 -3.615 -0.586 4.053 1.00 0.00 C ATOM 744 NZ LYS A 46 -2.349 -0.085 4.656 1.00 0.00 N ATOM 0 H LYS A 46 -1.831 -2.164 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.428 -4.830 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.877 -3.848 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.600 -3.078 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.622 -1.130 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.817 -1.584 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.377 -2.261 2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.155 -2.680 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.978 0.135 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.379 -0.665 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.568 0.625 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.834 -0.877 5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.760 0.348 3.916 1.00 0.00 H new ATOM 758 N ASP A 47 -4.513 -3.682 1.110 1.00 0.00 N ATOM 759 CA ASP A 47 -5.901 -4.090 1.294 1.00 0.00 C ATOM 760 C ASP A 47 -6.359 -4.977 0.143 1.00 0.00 C ATOM 761 O ASP A 47 -7.197 -5.862 0.322 1.00 0.00 O ATOM 762 CB ASP A 47 -6.806 -2.860 1.399 1.00 0.00 C ATOM 763 CG ASP A 47 -7.922 -3.051 2.408 1.00 0.00 C ATOM 764 OD1 ASP A 47 -7.630 -3.053 3.622 1.00 0.00 O ATOM 765 OD2 ASP A 47 -9.087 -3.197 1.984 1.00 0.00 O ATOM 0 H ASP A 47 -4.379 -2.676 1.012 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.969 -4.661 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.207 -1.994 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.236 -2.644 0.421 1.00 0.00 H new ATOM 770 N GLU A 48 -5.800 -4.737 -1.039 1.00 0.00 N ATOM 771 CA GLU A 48 -6.144 -5.518 -2.220 1.00 0.00 C ATOM 772 C GLU A 48 -5.842 -6.990 -1.982 1.00 0.00 C ATOM 773 O GLU A 48 -6.566 -7.869 -2.451 1.00 0.00 O ATOM 774 CB GLU A 48 -5.372 -5.010 -3.442 1.00 0.00 C ATOM 775 CG GLU A 48 -5.596 -5.840 -4.696 1.00 0.00 C ATOM 776 CD GLU A 48 -5.304 -5.066 -5.967 1.00 0.00 C ATOM 777 OE1 GLU A 48 -6.113 -4.186 -6.327 1.00 0.00 O ATOM 778 OE2 GLU A 48 -4.264 -5.339 -6.601 1.00 0.00 O ATOM 0 H GLU A 48 -5.107 -4.007 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.211 -5.404 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.664 -3.979 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.307 -5.000 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.961 -6.725 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.628 -6.189 -4.717 1.00 0.00 H new ATOM 785 N ILE A 49 -4.772 -7.251 -1.238 1.00 0.00 N ATOM 786 CA ILE A 49 -4.384 -8.619 -0.926 1.00 0.00 C ATOM 787 C ILE A 49 -5.312 -9.210 0.125 1.00 0.00 C ATOM 788 O ILE A 49 -5.629 -10.399 0.091 1.00 0.00 O ATOM 789 CB ILE A 49 -2.937 -8.705 -0.405 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.005 -7.819 -1.232 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.456 -10.148 -0.431 1.00 0.00 C ATOM 792 CD1 ILE A 49 -1.050 -7.006 -0.389 1.00 0.00 C ATOM 0 H ILE A 49 -4.162 -6.536 -0.842 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.456 -9.184 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.921 -8.345 0.624 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.432 -8.445 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.604 -7.144 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.432 -10.197 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.100 -10.758 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.490 -10.525 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.418 -6.400 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.616 -6.355 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.426 -7.676 0.203 1.00 0.00 H new ATOM 804 N LYS A 50 -5.745 -8.370 1.059 1.00 0.00 N ATOM 805 CA LYS A 50 -6.640 -8.813 2.124 1.00 0.00 C ATOM 806 C LYS A 50 -8.029 -9.122 1.573 1.00 0.00 C ATOM 807 O LYS A 50 -8.642 -10.124 1.937 1.00 0.00 O ATOM 808 CB LYS A 50 -6.737 -7.750 3.219 1.00 0.00 C ATOM 809 CG LYS A 50 -5.397 -7.143 3.601 1.00 0.00 C ATOM 810 CD LYS A 50 -4.373 -8.215 3.938 1.00 0.00 C ATOM 811 CE LYS A 50 -3.439 -7.764 5.049 1.00 0.00 C ATOM 812 NZ LYS A 50 -2.297 -8.702 5.229 1.00 0.00 N ATOM 0 H LYS A 50 -5.493 -7.383 1.101 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.227 -9.726 2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.404 -6.955 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.191 -8.194 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.027 -6.531 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.527 -6.481 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.886 -9.128 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.792 -8.457 3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.059 -6.768 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.996 -7.687 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.014 -8.717 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.583 -9.658 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.494 -8.387 4.647 1.00 0.00 H new ATOM 826 N THR A 51 -8.517 -8.253 0.694 1.00 0.00 N ATOM 827 CA THR A 51 -9.834 -8.434 0.094 1.00 0.00 C ATOM 828 C THR A 51 -9.773 -9.426 -1.066 1.00 0.00 C ATOM 829 O THR A 51 -10.759 -10.093 -1.375 1.00 0.00 O ATOM 830 CB THR A 51 -10.383 -7.094 -0.394 1.00 0.00 C ATOM 831 OG1 THR A 51 -10.119 -6.071 0.550 1.00 0.00 O ATOM 832 CG2 THR A 51 -11.875 -7.114 -0.645 1.00 0.00 C ATOM 0 H THR A 51 -8.021 -7.418 0.382 1.00 0.00 H new ATOM 0 HA THR A 51 -10.501 -8.836 0.857 1.00 0.00 H new ATOM 0 HB THR A 51 -9.875 -6.900 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.174 -5.817 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.199 -6.132 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.106 -7.860 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.396 -7.365 0.279 1.00 0.00 H new ATOM 840 N PHE A 52 -8.608 -9.516 -1.702 1.00 0.00 N ATOM 841 CA PHE A 52 -8.419 -10.426 -2.827 1.00 0.00 C ATOM 842 C PHE A 52 -9.325 -10.049 -3.996 1.00 0.00 C ATOM 843 O PHE A 52 -9.684 -10.897 -4.814 1.00 0.00 O ATOM 844 CB PHE A 52 -8.700 -11.867 -2.399 1.00 0.00 C ATOM 845 CG PHE A 52 -7.937 -12.889 -3.193 1.00 0.00 C ATOM 846 CD1 PHE A 52 -6.629 -13.208 -2.861 1.00 0.00 C ATOM 847 CD2 PHE A 52 -8.527 -13.531 -4.269 1.00 0.00 C ATOM 848 CE1 PHE A 52 -5.928 -14.139 -3.589 1.00 0.00 C ATOM 849 CE2 PHE A 52 -7.831 -14.464 -5.001 1.00 0.00 C ATOM 850 CZ PHE A 52 -6.527 -14.776 -4.659 1.00 0.00 C ATOM 0 H PHE A 52 -7.782 -8.970 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.382 -10.344 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.451 -11.979 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -9.767 -12.065 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.156 -12.720 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.547 -13.296 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.907 -14.373 -3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.301 -14.953 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.980 -15.514 -5.226 1.00 0.00 H new ATOM 860 N THR A 53 -9.691 -8.775 -4.069 1.00 0.00 N ATOM 861 CA THR A 53 -10.555 -8.286 -5.138 1.00 0.00 C ATOM 862 C THR A 53 -11.881 -9.043 -5.160 1.00 0.00 C ATOM 863 O THR A 53 -12.025 -10.042 -5.864 1.00 0.00 O ATOM 864 CB THR A 53 -9.855 -8.412 -6.495 1.00 0.00 C ATOM 865 OG1 THR A 53 -8.544 -8.926 -6.341 1.00 0.00 O ATOM 866 CG2 THR A 53 -9.746 -7.099 -7.235 1.00 0.00 C ATOM 0 H THR A 53 -9.403 -8.061 -3.400 1.00 0.00 H new ATOM 0 HA THR A 53 -10.763 -7.234 -4.945 1.00 0.00 H new ATOM 0 HB THR A 53 -10.479 -9.090 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.116 -9.000 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.241 -7.259 -8.187 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.744 -6.700 -7.416 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.175 -6.390 -6.636 1.00 0.00 H new ATOM 874 N VAL A 54 -12.844 -8.561 -4.383 1.00 0.00 N ATOM 875 CA VAL A 54 -14.157 -9.191 -4.313 1.00 0.00 C ATOM 876 C VAL A 54 -15.270 -8.154 -4.421 1.00 0.00 C ATOM 877 O VAL A 54 -15.607 -7.486 -3.443 1.00 0.00 O ATOM 878 CB VAL A 54 -14.333 -9.978 -3.001 1.00 0.00 C ATOM 879 CG1 VAL A 54 -13.540 -11.276 -3.046 1.00 0.00 C ATOM 880 CG2 VAL A 54 -13.915 -9.132 -1.807 1.00 0.00 C ATOM 0 H VAL A 54 -12.740 -7.736 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.222 -9.881 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.388 -10.226 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.677 -11.818 -2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.892 -11.889 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.482 -11.052 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.047 -9.706 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.867 -8.849 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.531 -8.234 -1.764 1.00 0.00 H new ATOM 890 N THR A 55 -15.836 -8.025 -5.617 1.00 0.00 N ATOM 891 CA THR A 55 -16.911 -7.068 -5.853 1.00 0.00 C ATOM 892 C THR A 55 -17.962 -7.655 -6.791 1.00 0.00 C ATOM 893 O THR A 55 -18.440 -6.982 -7.706 1.00 0.00 O ATOM 894 CB THR A 55 -16.347 -5.773 -6.440 1.00 0.00 C ATOM 895 OG1 THR A 55 -15.336 -5.241 -5.601 1.00 0.00 O ATOM 896 CG2 THR A 55 -17.393 -4.697 -6.635 1.00 0.00 C ATOM 0 H THR A 55 -15.569 -8.570 -6.436 1.00 0.00 H new ATOM 0 HA THR A 55 -17.387 -6.846 -4.898 1.00 0.00 H new ATOM 0 HB THR A 55 -15.948 -6.049 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.987 -4.414 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.925 -3.806 -7.054 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.163 -5.057 -7.317 1.00 0.00 H new ATOM 0 HG23 THR A 55 -17.845 -4.451 -5.674 1.00 0.00 H new ATOM 904 N GLU A 56 -18.319 -8.914 -6.557 1.00 0.00 N ATOM 905 CA GLU A 56 -19.313 -9.592 -7.380 1.00 0.00 C ATOM 906 C GLU A 56 -20.292 -10.379 -6.515 1.00 0.00 C ATOM 907 O GLU A 56 -19.866 -11.381 -5.902 1.00 0.00 O ATOM 908 CB GLU A 56 -18.629 -10.529 -8.377 1.00 0.00 C ATOM 909 CG GLU A 56 -19.319 -10.587 -9.731 1.00 0.00 C ATOM 910 CD GLU A 56 -18.459 -11.243 -10.795 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.361 -10.719 -11.079 1.00 0.00 O ATOM 912 OE2 GLU A 56 -18.885 -12.281 -11.343 1.00 0.00 O ATOM 913 OXT GLU A 56 -21.476 -9.988 -6.457 1.00 0.00 O ATOM 0 H GLU A 56 -17.934 -9.485 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.870 -8.833 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.598 -10.206 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.593 -11.533 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.255 -11.138 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.575 -9.576 -10.048 1.00 0.00 H new TER 920 GLU A 56