USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot -120:sc= 0.422 USER MOD Set 1.2: A 18 THR OG1 : rot 118:sc= 0.725 USER MOD Set 2.1: A 2 THR OG1 : rot 19:sc= 0.545 USER MOD Set 2.2: A 4 THR OG1 : rot -121:sc= 1.3 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 30:sc= -0.245 USER MOD Single : A 8 MET CE :methyl 149:sc= -0.309 (180deg=-1.28!) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0646 (180deg=-0.733) USER MOD Single : A 13 CYS SG : rot 113:sc= -0.733 USER MOD Single : A 14 THR OG1 : rot -6:sc= -0.155 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -9.16! C(o=-9.2!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.2 (180deg=-0.794) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -167:sc= -4.68! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-4.6!) USER MOD Single : A 50 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 51 MET CE :methyl -158:sc= -0.185 (180deg=-1.16) USER MOD Single : A 52 ASN : amide:sc= -2.95! C(o=-3!,f=-10!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 58:sc= 0.609 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 65 HIS : no HE2:sc= 0.283 K(o=0.28,f=-2.7!) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.204 (180deg=-0.914) USER MOD Single : A 68 HIS : no HD1:sc= 0.0104 K(o=0.01,f=-0.66) USER MOD Single : A 69 HIS : no HE2:sc= -0.0897 K(o=-0.09,f=-7.4!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.33 F(o=-4.6!,f=-3.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 72.778 -9.800 1.949 1.00 1.00 N ATOM 2 CA GLY A 1 72.181 -8.852 0.966 1.00 1.00 C ATOM 3 C GLY A 1 72.317 -7.424 1.482 1.00 1.00 C ATOM 4 O GLY A 1 71.321 -6.764 1.781 1.00 1.00 O ATOM 0 H1 GLY A 1 72.684 -10.773 1.594 1.00 1.00 H new ATOM 0 H2 GLY A 1 73.785 -9.575 2.080 1.00 1.00 H new ATOM 0 H3 GLY A 1 72.283 -9.714 2.859 1.00 1.00 H new ATOM 0 HA2 GLY A 1 72.681 -8.950 0.002 1.00 1.00 H new ATOM 0 HA3 GLY A 1 71.130 -9.093 0.806 1.00 1.00 H new ATOM 10 N THR A 2 73.558 -6.947 1.579 1.00 1.00 N ATOM 11 CA THR A 2 73.813 -5.588 2.052 1.00 1.00 C ATOM 12 C THR A 2 73.515 -4.590 0.941 1.00 1.00 C ATOM 13 O THR A 2 73.463 -4.960 -0.228 1.00 1.00 O ATOM 14 CB THR A 2 75.275 -5.458 2.490 1.00 1.00 C ATOM 15 OG1 THR A 2 76.122 -5.639 1.363 1.00 1.00 O ATOM 16 CG2 THR A 2 75.589 -6.522 3.544 1.00 1.00 C ATOM 0 H THR A 2 74.396 -7.477 1.338 1.00 1.00 H new ATOM 0 HA THR A 2 73.165 -5.378 2.903 1.00 1.00 H new ATOM 0 HB THR A 2 75.442 -4.468 2.915 1.00 1.00 H new ATOM 0 HG1 THR A 2 75.607 -5.498 0.541 1.00 1.00 H new ATOM 0 HG21 THR A 2 76.629 -6.430 3.856 1.00 1.00 H new ATOM 0 HG22 THR A 2 74.938 -6.383 4.407 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.424 -7.513 3.121 1.00 1.00 H new ATOM 24 N LYS A 3 73.317 -3.327 1.318 1.00 1.00 N ATOM 25 CA LYS A 3 73.007 -2.259 0.356 1.00 1.00 C ATOM 26 C LYS A 3 74.137 -2.081 -0.680 1.00 1.00 C ATOM 27 O LYS A 3 73.919 -1.467 -1.721 1.00 1.00 O ATOM 28 CB LYS A 3 72.590 -0.945 1.040 1.00 1.00 C ATOM 29 CG LYS A 3 71.681 -0.113 0.119 1.00 1.00 C ATOM 30 CD LYS A 3 71.437 1.304 0.711 1.00 1.00 C ATOM 31 CE LYS A 3 70.354 1.254 1.796 1.00 1.00 C ATOM 32 NZ LYS A 3 70.074 2.638 2.277 1.00 1.00 N ATOM 0 H LYS A 3 73.365 -3.013 2.287 1.00 1.00 H new ATOM 0 HA LYS A 3 72.127 -2.577 -0.204 1.00 1.00 H new ATOM 0 HB2 LYS A 3 72.068 -1.165 1.971 1.00 1.00 H new ATOM 0 HB3 LYS A 3 73.477 -0.368 1.300 1.00 1.00 H new ATOM 0 HG2 LYS A 3 72.138 -0.026 -0.867 1.00 1.00 H new ATOM 0 HG3 LYS A 3 70.728 -0.624 -0.016 1.00 1.00 H new ATOM 0 HD2 LYS A 3 72.364 1.693 1.132 1.00 1.00 H new ATOM 0 HD3 LYS A 3 71.135 1.989 -0.082 1.00 1.00 H new ATOM 0 HE2 LYS A 3 69.445 0.804 1.398 1.00 1.00 H new ATOM 0 HE3 LYS A 3 70.683 0.628 2.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 69.340 2.608 3.013 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 70.943 3.051 2.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 69.743 3.222 1.482 1.00 1.00 H new ATOM 46 N THR A 4 75.315 -2.638 -0.446 1.00 1.00 N ATOM 47 CA THR A 4 76.382 -2.530 -1.451 1.00 1.00 C ATOM 48 C THR A 4 75.853 -2.980 -2.838 1.00 1.00 C ATOM 49 O THR A 4 75.897 -2.216 -3.801 1.00 1.00 O ATOM 50 CB THR A 4 77.505 -3.478 -1.031 1.00 1.00 C ATOM 51 OG1 THR A 4 76.971 -4.774 -0.799 1.00 1.00 O ATOM 52 CG2 THR A 4 78.165 -2.958 0.249 1.00 1.00 C ATOM 0 H THR A 4 75.560 -3.155 0.399 1.00 1.00 H new ATOM 0 HA THR A 4 76.730 -1.499 -1.518 1.00 1.00 H new ATOM 0 HB THR A 4 78.250 -3.530 -1.825 1.00 1.00 H new ATOM 0 HG1 THR A 4 77.151 -5.041 0.126 1.00 1.00 H new ATOM 0 HG21 THR A 4 78.965 -3.635 0.547 1.00 1.00 H new ATOM 0 HG22 THR A 4 78.578 -1.966 0.068 1.00 1.00 H new ATOM 0 HG23 THR A 4 77.422 -2.902 1.045 1.00 1.00 H new ATOM 60 N ASP A 5 75.349 -4.209 -2.919 1.00 1.00 N ATOM 61 CA ASP A 5 74.797 -4.779 -4.171 1.00 1.00 C ATOM 62 C ASP A 5 73.743 -3.884 -4.827 1.00 1.00 C ATOM 63 O ASP A 5 73.692 -3.741 -6.049 1.00 1.00 O ATOM 64 CB ASP A 5 74.081 -6.082 -3.810 1.00 1.00 C ATOM 65 CG ASP A 5 75.042 -7.035 -3.109 1.00 1.00 C ATOM 66 OD1 ASP A 5 76.230 -6.760 -3.116 1.00 1.00 O ATOM 67 OD2 ASP A 5 74.575 -8.028 -2.576 1.00 1.00 O ATOM 0 H ASP A 5 75.306 -4.848 -2.125 1.00 1.00 H new ATOM 0 HA ASP A 5 75.630 -4.904 -4.863 1.00 1.00 H new ATOM 0 HB2 ASP A 5 73.230 -5.870 -3.162 1.00 1.00 H new ATOM 0 HB3 ASP A 5 73.686 -6.550 -4.712 1.00 1.00 H new ATOM 72 N TYR A 6 72.910 -3.305 -3.992 1.00 1.00 N ATOM 73 CA TYR A 6 71.826 -2.425 -4.417 1.00 1.00 C ATOM 74 C TYR A 6 72.339 -1.137 -5.039 1.00 1.00 C ATOM 75 O TYR A 6 72.075 -0.853 -6.199 1.00 1.00 O ATOM 76 CB TYR A 6 71.010 -2.072 -3.158 1.00 1.00 C ATOM 77 CG TYR A 6 70.244 -3.310 -2.688 1.00 1.00 C ATOM 78 CD1 TYR A 6 70.925 -4.364 -2.075 1.00 1.00 C ATOM 79 CD2 TYR A 6 68.863 -3.402 -2.881 1.00 1.00 C ATOM 80 CE1 TYR A 6 70.237 -5.500 -1.652 1.00 1.00 C ATOM 81 CE2 TYR A 6 68.170 -4.544 -2.457 1.00 1.00 C ATOM 82 CZ TYR A 6 68.861 -5.591 -1.840 1.00 1.00 C ATOM 83 OH TYR A 6 68.186 -6.717 -1.423 1.00 1.00 O ATOM 0 H TYR A 6 72.961 -3.429 -2.981 1.00 1.00 H new ATOM 0 HA TYR A 6 71.230 -2.937 -5.173 1.00 1.00 H new ATOM 0 HB2 TYR A 6 71.673 -1.719 -2.368 1.00 1.00 H new ATOM 0 HB3 TYR A 6 70.315 -1.261 -3.377 1.00 1.00 H new ATOM 0 HD1 TYR A 6 71.993 -4.298 -1.928 1.00 1.00 H new ATOM 0 HD2 TYR A 6 68.329 -2.593 -3.357 1.00 1.00 H new ATOM 0 HE1 TYR A 6 70.772 -6.310 -1.178 1.00 1.00 H new ATOM 0 HE2 TYR A 6 67.103 -4.615 -2.607 1.00 1.00 H new ATOM 0 HH TYR A 6 68.644 -7.105 -0.648 1.00 1.00 H new ATOM 93 N LEU A 7 73.062 -0.360 -4.255 1.00 1.00 N ATOM 94 CA LEU A 7 73.590 0.911 -4.721 1.00 1.00 C ATOM 95 C LEU A 7 74.522 0.737 -5.907 1.00 1.00 C ATOM 96 O LEU A 7 74.552 1.581 -6.796 1.00 1.00 O ATOM 97 CB LEU A 7 74.372 1.590 -3.573 1.00 1.00 C ATOM 98 CG LEU A 7 73.402 2.239 -2.539 1.00 1.00 C ATOM 99 CD1 LEU A 7 74.089 2.344 -1.166 1.00 1.00 C ATOM 100 CD2 LEU A 7 72.987 3.653 -2.987 1.00 1.00 C ATOM 0 H LEU A 7 73.298 -0.587 -3.289 1.00 1.00 H new ATOM 0 HA LEU A 7 72.746 1.525 -5.036 1.00 1.00 H new ATOM 0 HB2 LEU A 7 75.002 0.854 -3.073 1.00 1.00 H new ATOM 0 HB3 LEU A 7 75.035 2.352 -3.982 1.00 1.00 H new ATOM 0 HG LEU A 7 72.516 1.607 -2.471 1.00 1.00 H new ATOM 0 HD11 LEU A 7 73.404 2.798 -0.450 1.00 1.00 H new ATOM 0 HD12 LEU A 7 74.366 1.348 -0.821 1.00 1.00 H new ATOM 0 HD13 LEU A 7 74.984 2.960 -1.253 1.00 1.00 H new ATOM 0 HD21 LEU A 7 72.310 4.084 -2.249 1.00 1.00 H new ATOM 0 HD22 LEU A 7 73.873 4.281 -3.077 1.00 1.00 H new ATOM 0 HD23 LEU A 7 72.483 3.596 -3.952 1.00 1.00 H new ATOM 112 N MET A 8 75.326 -0.333 -5.910 1.00 1.00 N ATOM 113 CA MET A 8 76.274 -0.488 -7.027 1.00 1.00 C ATOM 114 C MET A 8 75.477 -0.860 -8.275 1.00 1.00 C ATOM 115 O MET A 8 75.530 -0.166 -9.289 1.00 1.00 O ATOM 116 CB MET A 8 77.343 -1.535 -6.704 1.00 1.00 C ATOM 117 CG MET A 8 78.293 -1.014 -5.602 1.00 1.00 C ATOM 118 SD MET A 8 79.776 -2.058 -5.535 1.00 1.00 S ATOM 119 CE MET A 8 80.502 -1.609 -7.135 1.00 1.00 C ATOM 0 H MET A 8 75.346 -1.065 -5.200 1.00 1.00 H new ATOM 0 HA MET A 8 76.806 0.448 -7.200 1.00 1.00 H new ATOM 0 HB2 MET A 8 76.868 -2.460 -6.376 1.00 1.00 H new ATOM 0 HB3 MET A 8 77.913 -1.771 -7.603 1.00 1.00 H new ATOM 0 HG2 MET A 8 78.572 0.019 -5.807 1.00 1.00 H new ATOM 0 HG3 MET A 8 77.786 -1.022 -4.637 1.00 1.00 H new ATOM 0 HE1 MET A 8 81.588 -1.671 -7.072 1.00 1.00 H new ATOM 0 HE2 MET A 8 80.143 -2.295 -7.903 1.00 1.00 H new ATOM 0 HE3 MET A 8 80.211 -0.591 -7.394 1.00 1.00 H new ATOM 129 N ARG A 9 74.780 -1.989 -8.203 1.00 1.00 N ATOM 130 CA ARG A 9 74.020 -2.493 -9.342 1.00 1.00 C ATOM 131 C ARG A 9 73.052 -1.434 -9.879 1.00 1.00 C ATOM 132 O ARG A 9 73.002 -1.188 -11.084 1.00 1.00 O ATOM 133 CB ARG A 9 73.230 -3.719 -8.864 1.00 1.00 C ATOM 134 CG ARG A 9 72.573 -4.457 -10.047 1.00 1.00 C ATOM 135 CD ARG A 9 71.466 -5.396 -9.536 1.00 1.00 C ATOM 136 NE ARG A 9 71.026 -6.286 -10.605 1.00 1.00 N ATOM 137 CZ ARG A 9 71.799 -7.279 -11.034 1.00 1.00 C ATOM 138 NH1 ARG A 9 72.976 -7.462 -10.504 1.00 1.00 N ATOM 139 NH2 ARG A 9 71.380 -8.068 -11.985 1.00 1.00 N ATOM 0 H ARG A 9 74.725 -2.573 -7.368 1.00 1.00 H new ATOM 0 HA ARG A 9 74.703 -2.753 -10.151 1.00 1.00 H new ATOM 0 HB2 ARG A 9 73.896 -4.399 -8.333 1.00 1.00 H new ATOM 0 HB3 ARG A 9 72.463 -3.407 -8.156 1.00 1.00 H new ATOM 0 HG2 ARG A 9 72.154 -3.735 -10.748 1.00 1.00 H new ATOM 0 HG3 ARG A 9 73.324 -5.030 -10.591 1.00 1.00 H new ATOM 0 HD2 ARG A 9 71.836 -5.982 -8.695 1.00 1.00 H new ATOM 0 HD3 ARG A 9 70.623 -4.810 -9.170 1.00 1.00 H new ATOM 0 HE ARG A 9 70.110 -6.144 -11.030 1.00 1.00 H new ATOM 0 HH11 ARG A 9 73.303 -6.844 -9.761 1.00 1.00 H new ATOM 0 HH12 ARG A 9 73.570 -8.223 -10.832 1.00 1.00 H new ATOM 0 HH21 ARG A 9 70.459 -7.923 -12.399 1.00 1.00 H new ATOM 0 HH22 ARG A 9 71.973 -8.830 -12.314 1.00 1.00 H new ATOM 153 N LEU A 10 72.267 -0.838 -8.998 1.00 1.00 N ATOM 154 CA LEU A 10 71.282 0.160 -9.413 1.00 1.00 C ATOM 155 C LEU A 10 71.896 1.380 -10.096 1.00 1.00 C ATOM 156 O LEU A 10 71.210 2.030 -10.884 1.00 1.00 O ATOM 157 CB LEU A 10 70.502 0.671 -8.176 1.00 1.00 C ATOM 158 CG LEU A 10 69.567 -0.428 -7.627 1.00 1.00 C ATOM 159 CD1 LEU A 10 68.995 0.051 -6.276 1.00 1.00 C ATOM 160 CD2 LEU A 10 68.405 -0.727 -8.627 1.00 1.00 C ATOM 0 H LEU A 10 72.288 -1.023 -7.995 1.00 1.00 H new ATOM 0 HA LEU A 10 70.635 -0.345 -10.131 1.00 1.00 H new ATOM 0 HB2 LEU A 10 71.203 0.980 -7.400 1.00 1.00 H new ATOM 0 HB3 LEU A 10 69.918 1.551 -8.446 1.00 1.00 H new ATOM 0 HG LEU A 10 70.132 -1.350 -7.493 1.00 1.00 H new ATOM 0 HD11 LEU A 10 68.331 -0.712 -5.871 1.00 1.00 H new ATOM 0 HD12 LEU A 10 69.812 0.229 -5.577 1.00 1.00 H new ATOM 0 HD13 LEU A 10 68.437 0.976 -6.424 1.00 1.00 H new ATOM 0 HD21 LEU A 10 67.762 -1.505 -8.215 1.00 1.00 H new ATOM 0 HD22 LEU A 10 67.821 0.179 -8.788 1.00 1.00 H new ATOM 0 HD23 LEU A 10 68.820 -1.065 -9.577 1.00 1.00 H new ATOM 172 N ARG A 11 73.138 1.762 -9.783 1.00 1.00 N ATOM 173 CA ARG A 11 73.734 2.969 -10.359 1.00 1.00 C ATOM 174 C ARG A 11 74.218 2.807 -11.802 1.00 1.00 C ATOM 175 O ARG A 11 74.561 3.803 -12.439 1.00 1.00 O ATOM 176 CB ARG A 11 74.913 3.328 -9.419 1.00 1.00 C ATOM 177 CG ARG A 11 75.596 4.722 -9.732 1.00 1.00 C ATOM 178 CD ARG A 11 75.382 5.726 -8.540 1.00 1.00 C ATOM 179 NE ARG A 11 76.048 5.220 -7.341 1.00 1.00 N ATOM 180 CZ ARG A 11 77.374 5.180 -7.239 1.00 1.00 C ATOM 181 NH1 ARG A 11 78.124 5.582 -8.227 1.00 1.00 N ATOM 182 NH2 ARG A 11 77.926 4.734 -6.145 1.00 1.00 N ATOM 0 H ARG A 11 73.746 1.256 -9.139 1.00 1.00 H new ATOM 0 HA ARG A 11 72.981 3.754 -10.423 1.00 1.00 H new ATOM 0 HB2 ARG A 11 74.552 3.336 -8.390 1.00 1.00 H new ATOM 0 HB3 ARG A 11 75.667 2.544 -9.486 1.00 1.00 H new ATOM 0 HG2 ARG A 11 76.662 4.579 -9.907 1.00 1.00 H new ATOM 0 HG3 ARG A 11 75.177 5.141 -10.647 1.00 1.00 H new ATOM 0 HD2 ARG A 11 75.780 6.706 -8.802 1.00 1.00 H new ATOM 0 HD3 ARG A 11 74.317 5.856 -8.348 1.00 1.00 H new ATOM 0 HE ARG A 11 75.480 4.888 -6.561 1.00 1.00 H new ATOM 0 HH11 ARG A 11 77.695 5.930 -9.084 1.00 1.00 H new ATOM 0 HH12 ARG A 11 79.140 5.549 -8.142 1.00 1.00 H new ATOM 0 HH21 ARG A 11 77.342 4.417 -5.371 1.00 1.00 H new ATOM 0 HH22 ARG A 11 78.942 4.702 -6.063 1.00 1.00 H new ATOM 196 N LYS A 12 74.254 1.572 -12.346 1.00 1.00 N ATOM 197 CA LYS A 12 74.735 1.373 -13.746 1.00 1.00 C ATOM 198 C LYS A 12 73.575 1.334 -14.738 1.00 1.00 C ATOM 199 O LYS A 12 73.821 1.238 -15.933 1.00 1.00 O ATOM 200 CB LYS A 12 75.633 0.117 -13.858 1.00 1.00 C ATOM 201 CG LYS A 12 77.083 0.447 -13.433 1.00 1.00 C ATOM 202 CD LYS A 12 77.087 1.101 -12.039 1.00 1.00 C ATOM 203 CE LYS A 12 78.513 1.093 -11.450 1.00 1.00 C ATOM 204 NZ LYS A 12 79.500 1.303 -12.546 1.00 1.00 N ATOM 0 H LYS A 12 73.968 0.720 -11.864 1.00 1.00 H new ATOM 0 HA LYS A 12 75.349 2.234 -14.009 1.00 1.00 H new ATOM 0 HB2 LYS A 12 75.235 -0.679 -13.228 1.00 1.00 H new ATOM 0 HB3 LYS A 12 75.624 -0.253 -14.883 1.00 1.00 H new ATOM 0 HG2 LYS A 12 77.683 -0.463 -13.419 1.00 1.00 H new ATOM 0 HG3 LYS A 12 77.540 1.118 -14.160 1.00 1.00 H new ATOM 0 HD2 LYS A 12 76.720 2.125 -12.109 1.00 1.00 H new ATOM 0 HD3 LYS A 12 76.409 0.564 -11.376 1.00 1.00 H new ATOM 0 HE2 LYS A 12 78.613 1.877 -10.700 1.00 1.00 H new ATOM 0 HE3 LYS A 12 78.706 0.145 -10.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 80.411 1.600 -12.141 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 79.628 0.415 -13.072 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 79.151 2.040 -13.191 1.00 1.00 H new ATOM 218 N CYS A 13 72.316 1.408 -14.282 1.00 1.00 N ATOM 219 CA CYS A 13 71.185 1.395 -15.232 1.00 1.00 C ATOM 220 C CYS A 13 71.466 2.355 -16.399 1.00 1.00 C ATOM 221 O CYS A 13 71.135 2.080 -17.552 1.00 1.00 O ATOM 222 CB CYS A 13 69.893 1.817 -14.522 1.00 1.00 C ATOM 223 SG CYS A 13 70.027 3.545 -13.997 1.00 1.00 S ATOM 0 H CYS A 13 72.056 1.475 -13.298 1.00 1.00 H new ATOM 0 HA CYS A 13 71.067 0.383 -15.619 1.00 1.00 H new ATOM 0 HB2 CYS A 13 69.041 1.694 -15.191 1.00 1.00 H new ATOM 0 HB3 CYS A 13 69.715 1.176 -13.658 1.00 1.00 H new ATOM 0 HG CYS A 13 69.191 4.271 -14.678 1.00 1.00 H new ATOM 229 N THR A 14 72.131 3.457 -16.066 1.00 1.00 N ATOM 230 CA THR A 14 72.537 4.466 -17.045 1.00 1.00 C ATOM 231 C THR A 14 71.370 5.301 -17.588 1.00 1.00 C ATOM 232 O THR A 14 71.608 6.330 -18.221 1.00 1.00 O ATOM 233 CB THR A 14 73.287 3.796 -18.223 1.00 1.00 C ATOM 234 OG1 THR A 14 74.096 2.744 -17.733 1.00 1.00 O ATOM 235 CG2 THR A 14 74.187 4.812 -18.935 1.00 1.00 C ATOM 0 H THR A 14 72.405 3.678 -15.109 1.00 1.00 H new ATOM 0 HA THR A 14 73.196 5.154 -16.515 1.00 1.00 H new ATOM 0 HB THR A 14 72.548 3.411 -18.926 1.00 1.00 H new ATOM 0 HG1 THR A 14 74.071 2.741 -16.753 1.00 1.00 H new ATOM 0 HG21 THR A 14 74.706 4.323 -19.760 1.00 1.00 H new ATOM 0 HG22 THR A 14 73.578 5.629 -19.323 1.00 1.00 H new ATOM 0 HG23 THR A 14 74.918 5.207 -18.230 1.00 1.00 H new ATOM 243 N THR A 15 70.111 4.885 -17.359 1.00 1.00 N ATOM 244 CA THR A 15 68.953 5.658 -17.864 1.00 1.00 C ATOM 245 C THR A 15 67.829 5.701 -16.831 1.00 1.00 C ATOM 246 O THR A 15 67.499 4.702 -16.193 1.00 1.00 O ATOM 247 CB THR A 15 68.441 5.015 -19.168 1.00 1.00 C ATOM 248 OG1 THR A 15 68.378 3.611 -18.998 1.00 1.00 O ATOM 249 CG2 THR A 15 69.397 5.330 -20.328 1.00 1.00 C ATOM 0 H THR A 15 69.869 4.040 -16.841 1.00 1.00 H new ATOM 0 HA THR A 15 69.275 6.681 -18.057 1.00 1.00 H new ATOM 0 HB THR A 15 67.454 5.416 -19.397 1.00 1.00 H new ATOM 0 HG1 THR A 15 68.960 3.175 -19.656 1.00 1.00 H new ATOM 0 HG21 THR A 15 69.023 4.870 -21.243 1.00 1.00 H new ATOM 0 HG22 THR A 15 69.460 6.410 -20.465 1.00 1.00 H new ATOM 0 HG23 THR A 15 70.387 4.934 -20.101 1.00 1.00 H new ATOM 257 N ILE A 16 67.297 6.898 -16.651 1.00 1.00 N ATOM 258 CA ILE A 16 66.255 7.083 -15.647 1.00 1.00 C ATOM 259 C ILE A 16 65.089 6.119 -15.936 1.00 1.00 C ATOM 260 O ILE A 16 64.680 5.348 -15.068 1.00 1.00 O ATOM 261 CB ILE A 16 65.756 8.541 -15.629 1.00 1.00 C ATOM 262 CG1 ILE A 16 66.887 9.487 -15.170 1.00 1.00 C ATOM 263 CG2 ILE A 16 64.560 8.671 -14.672 1.00 1.00 C ATOM 264 CD1 ILE A 16 66.518 10.938 -15.506 1.00 1.00 C ATOM 0 H ILE A 16 67.558 7.737 -17.169 1.00 1.00 H new ATOM 0 HA ILE A 16 66.672 6.863 -14.664 1.00 1.00 H new ATOM 0 HB ILE A 16 65.447 8.817 -16.637 1.00 1.00 H new ATOM 0 HG12 ILE A 16 67.049 9.382 -14.097 1.00 1.00 H new ATOM 0 HG13 ILE A 16 67.822 9.217 -15.661 1.00 1.00 H new ATOM 0 HG21 ILE A 16 64.212 9.704 -14.663 1.00 1.00 H new ATOM 0 HG22 ILE A 16 63.753 8.019 -15.007 1.00 1.00 H new ATOM 0 HG23 ILE A 16 64.866 8.383 -13.666 1.00 1.00 H new ATOM 0 HD11 ILE A 16 67.319 11.602 -15.180 1.00 1.00 H new ATOM 0 HD12 ILE A 16 66.379 11.038 -16.582 1.00 1.00 H new ATOM 0 HD13 ILE A 16 65.594 11.206 -14.994 1.00 1.00 H new ATOM 276 N ASP A 17 64.535 6.213 -17.144 1.00 1.00 N ATOM 277 CA ASP A 17 63.379 5.400 -17.551 1.00 1.00 C ATOM 278 C ASP A 17 63.626 3.889 -17.433 1.00 1.00 C ATOM 279 O ASP A 17 62.688 3.101 -17.389 1.00 1.00 O ATOM 280 CB ASP A 17 62.958 5.744 -18.984 1.00 1.00 C ATOM 281 CG ASP A 17 64.022 5.270 -19.968 1.00 1.00 C ATOM 282 OD1 ASP A 17 65.090 4.890 -19.519 1.00 1.00 O ATOM 283 OD2 ASP A 17 63.751 5.293 -21.158 1.00 1.00 O ATOM 0 H ASP A 17 64.869 6.850 -17.868 1.00 1.00 H new ATOM 0 HA ASP A 17 62.576 5.647 -16.856 1.00 1.00 H new ATOM 0 HB2 ASP A 17 62.002 5.273 -19.214 1.00 1.00 H new ATOM 0 HB3 ASP A 17 62.814 6.820 -19.081 1.00 1.00 H new ATOM 288 N THR A 18 64.901 3.501 -17.374 1.00 1.00 N ATOM 289 CA THR A 18 65.235 2.059 -17.236 1.00 1.00 C ATOM 290 C THR A 18 64.926 1.618 -15.801 1.00 1.00 C ATOM 291 O THR A 18 64.320 0.569 -15.582 1.00 1.00 O ATOM 292 CB THR A 18 66.683 1.754 -17.650 1.00 1.00 C ATOM 293 OG1 THR A 18 66.784 1.855 -19.063 1.00 1.00 O ATOM 294 CG2 THR A 18 67.079 0.334 -17.226 1.00 1.00 C ATOM 0 H THR A 18 65.703 4.130 -17.417 1.00 1.00 H new ATOM 0 HA THR A 18 64.618 1.480 -17.923 1.00 1.00 H new ATOM 0 HB THR A 18 67.349 2.466 -17.162 1.00 1.00 H new ATOM 0 HG1 THR A 18 67.411 2.571 -19.296 1.00 1.00 H new ATOM 0 HG21 THR A 18 68.108 0.138 -17.528 1.00 1.00 H new ATOM 0 HG22 THR A 18 66.995 0.241 -16.143 1.00 1.00 H new ATOM 0 HG23 THR A 18 66.416 -0.387 -17.705 1.00 1.00 H new ATOM 302 N LEU A 19 65.381 2.405 -14.833 1.00 1.00 N ATOM 303 CA LEU A 19 65.191 2.077 -13.411 1.00 1.00 C ATOM 304 C LEU A 19 63.758 1.563 -13.173 1.00 1.00 C ATOM 305 O LEU A 19 63.536 0.668 -12.379 1.00 1.00 O ATOM 306 CB LEU A 19 65.450 3.345 -12.567 1.00 1.00 C ATOM 307 CG LEU A 19 65.391 3.028 -11.034 1.00 1.00 C ATOM 308 CD1 LEU A 19 66.750 2.509 -10.541 1.00 1.00 C ATOM 309 CD2 LEU A 19 65.027 4.292 -10.226 1.00 1.00 C ATOM 0 H LEU A 19 65.885 3.276 -14.999 1.00 1.00 H new ATOM 0 HA LEU A 19 65.890 1.294 -13.118 1.00 1.00 H new ATOM 0 HB2 LEU A 19 66.427 3.759 -12.818 1.00 1.00 H new ATOM 0 HB3 LEU A 19 64.709 4.106 -12.812 1.00 1.00 H new ATOM 0 HG LEU A 19 64.626 2.266 -10.884 1.00 1.00 H new ATOM 0 HD11 LEU A 19 66.692 2.294 -9.474 1.00 1.00 H new ATOM 0 HD12 LEU A 19 67.010 1.599 -11.081 1.00 1.00 H new ATOM 0 HD13 LEU A 19 67.514 3.266 -10.717 1.00 1.00 H new ATOM 0 HD21 LEU A 19 64.992 4.048 -9.164 1.00 1.00 H new ATOM 0 HD22 LEU A 19 65.779 5.062 -10.396 1.00 1.00 H new ATOM 0 HD23 LEU A 19 64.052 4.660 -10.546 1.00 1.00 H new ATOM 321 N GLU A 20 62.832 2.065 -13.960 1.00 1.00 N ATOM 322 CA GLU A 20 61.447 1.584 -13.906 1.00 1.00 C ATOM 323 C GLU A 20 61.407 0.107 -14.309 1.00 1.00 C ATOM 324 O GLU A 20 60.800 -0.717 -13.625 1.00 1.00 O ATOM 325 CB GLU A 20 60.598 2.395 -14.882 1.00 1.00 C ATOM 326 CG GLU A 20 60.501 3.859 -14.412 1.00 1.00 C ATOM 327 CD GLU A 20 59.522 3.979 -13.247 1.00 1.00 C ATOM 328 OE1 GLU A 20 58.947 2.969 -12.875 1.00 1.00 O ATOM 329 OE2 GLU A 20 59.362 5.079 -12.745 1.00 1.00 O ATOM 0 H GLU A 20 63.000 2.802 -14.645 1.00 1.00 H new ATOM 0 HA GLU A 20 61.057 1.698 -12.894 1.00 1.00 H new ATOM 0 HB2 GLU A 20 61.037 2.354 -15.879 1.00 1.00 H new ATOM 0 HB3 GLU A 20 59.600 1.962 -14.955 1.00 1.00 H new ATOM 0 HG2 GLU A 20 61.485 4.216 -14.107 1.00 1.00 H new ATOM 0 HG3 GLU A 20 60.174 4.492 -15.237 1.00 1.00 H new ATOM 336 N ARG A 21 61.964 -0.191 -15.467 1.00 1.00 N ATOM 337 CA ARG A 21 61.874 -1.558 -15.995 1.00 1.00 C ATOM 338 C ARG A 21 62.270 -2.593 -14.926 1.00 1.00 C ATOM 339 O ARG A 21 61.555 -3.577 -14.734 1.00 1.00 O ATOM 340 CB ARG A 21 62.776 -1.730 -17.223 1.00 1.00 C ATOM 341 CG ARG A 21 62.567 -3.141 -17.808 1.00 1.00 C ATOM 342 CD ARG A 21 63.263 -3.281 -19.170 1.00 1.00 C ATOM 343 NE ARG A 21 63.142 -4.655 -19.647 1.00 1.00 N ATOM 344 CZ ARG A 21 63.549 -5.001 -20.865 1.00 1.00 C ATOM 345 NH1 ARG A 21 64.061 -4.105 -21.661 1.00 1.00 N ATOM 346 NH2 ARG A 21 63.435 -6.239 -21.264 1.00 1.00 N ATOM 0 H ARG A 21 62.473 0.469 -16.055 1.00 1.00 H new ATOM 0 HA ARG A 21 60.837 -1.726 -16.284 1.00 1.00 H new ATOM 0 HB2 ARG A 21 62.540 -0.974 -17.972 1.00 1.00 H new ATOM 0 HB3 ARG A 21 63.821 -1.589 -16.945 1.00 1.00 H new ATOM 0 HG2 ARG A 21 62.959 -3.887 -17.117 1.00 1.00 H new ATOM 0 HG3 ARG A 21 61.501 -3.338 -17.918 1.00 1.00 H new ATOM 0 HD2 ARG A 21 62.815 -2.596 -19.890 1.00 1.00 H new ATOM 0 HD3 ARG A 21 64.315 -3.008 -19.081 1.00 1.00 H new ATOM 0 HE ARG A 21 62.738 -5.363 -19.035 1.00 1.00 H new ATOM 0 HH11 ARG A 21 64.150 -3.138 -21.350 1.00 1.00 H new ATOM 0 HH12 ARG A 21 64.373 -4.371 -22.595 1.00 1.00 H new ATOM 0 HH21 ARG A 21 63.034 -6.941 -20.642 1.00 1.00 H new ATOM 0 HH22 ARG A 21 63.747 -6.505 -22.198 1.00 1.00 H new ATOM 360 N VAL A 22 63.390 -2.395 -14.241 1.00 1.00 N ATOM 361 CA VAL A 22 63.821 -3.356 -13.217 1.00 1.00 C ATOM 362 C VAL A 22 62.877 -3.362 -11.989 1.00 1.00 C ATOM 363 O VAL A 22 62.500 -4.420 -11.494 1.00 1.00 O ATOM 364 CB VAL A 22 65.256 -3.002 -12.790 1.00 1.00 C ATOM 365 CG1 VAL A 22 65.694 -3.873 -11.606 1.00 1.00 C ATOM 366 CG2 VAL A 22 66.202 -3.231 -13.975 1.00 1.00 C ATOM 0 H VAL A 22 64.010 -1.595 -14.367 1.00 1.00 H new ATOM 0 HA VAL A 22 63.787 -4.359 -13.642 1.00 1.00 H new ATOM 0 HB VAL A 22 65.289 -1.957 -12.483 1.00 1.00 H new ATOM 0 HG11 VAL A 22 66.711 -3.609 -11.317 1.00 1.00 H new ATOM 0 HG12 VAL A 22 65.023 -3.706 -10.764 1.00 1.00 H new ATOM 0 HG13 VAL A 22 65.660 -4.923 -11.895 1.00 1.00 H new ATOM 0 HG21 VAL A 22 67.221 -2.982 -13.680 1.00 1.00 H new ATOM 0 HG22 VAL A 22 66.157 -4.277 -14.279 1.00 1.00 H new ATOM 0 HG23 VAL A 22 65.901 -2.597 -14.809 1.00 1.00 H new ATOM 376 N ILE A 23 62.595 -2.179 -11.453 1.00 1.00 N ATOM 377 CA ILE A 23 61.797 -2.085 -10.205 1.00 1.00 C ATOM 378 C ILE A 23 60.589 -3.056 -10.248 1.00 1.00 C ATOM 379 O ILE A 23 60.375 -3.803 -9.294 1.00 1.00 O ATOM 380 CB ILE A 23 61.308 -0.629 -9.965 1.00 1.00 C ATOM 381 CG1 ILE A 23 62.509 0.285 -9.586 1.00 1.00 C ATOM 382 CG2 ILE A 23 60.283 -0.598 -8.808 1.00 1.00 C ATOM 383 CD1 ILE A 23 62.154 1.759 -9.838 1.00 1.00 C ATOM 0 H ILE A 23 62.892 -1.284 -11.841 1.00 1.00 H new ATOM 0 HA ILE A 23 62.443 -2.372 -9.375 1.00 1.00 H new ATOM 0 HB ILE A 23 60.844 -0.268 -10.883 1.00 1.00 H new ATOM 0 HG12 ILE A 23 62.769 0.140 -8.537 1.00 1.00 H new ATOM 0 HG13 ILE A 23 63.385 0.009 -10.173 1.00 1.00 H new ATOM 0 HG21 ILE A 23 59.946 0.426 -8.647 1.00 1.00 H new ATOM 0 HG22 ILE A 23 59.429 -1.225 -9.062 1.00 1.00 H new ATOM 0 HG23 ILE A 23 60.750 -0.973 -7.898 1.00 1.00 H new ATOM 0 HD11 ILE A 23 63.002 2.389 -9.569 1.00 1.00 H new ATOM 0 HD12 ILE A 23 61.917 1.901 -10.892 1.00 1.00 H new ATOM 0 HD13 ILE A 23 61.291 2.034 -9.232 1.00 1.00 H new ATOM 395 N GLU A 24 59.831 -3.073 -11.331 1.00 1.00 N ATOM 396 CA GLU A 24 58.688 -3.994 -11.442 1.00 1.00 C ATOM 397 C GLU A 24 59.133 -5.456 -11.218 1.00 1.00 C ATOM 398 O GLU A 24 58.357 -6.310 -10.789 1.00 1.00 O ATOM 399 CB GLU A 24 58.019 -3.846 -12.818 1.00 1.00 C ATOM 400 CG GLU A 24 56.912 -4.902 -12.979 1.00 1.00 C ATOM 401 CD GLU A 24 56.007 -4.553 -14.159 1.00 1.00 C ATOM 402 OE1 GLU A 24 55.797 -3.374 -14.391 1.00 1.00 O ATOM 403 OE2 GLU A 24 55.531 -5.471 -14.807 1.00 1.00 O ATOM 0 H GLU A 24 59.975 -2.472 -12.142 1.00 1.00 H new ATOM 0 HA GLU A 24 57.966 -3.736 -10.668 1.00 1.00 H new ATOM 0 HB2 GLU A 24 57.597 -2.846 -12.921 1.00 1.00 H new ATOM 0 HB3 GLU A 24 58.762 -3.962 -13.607 1.00 1.00 H new ATOM 0 HG2 GLU A 24 57.358 -5.884 -13.133 1.00 1.00 H new ATOM 0 HG3 GLU A 24 56.321 -4.960 -12.065 1.00 1.00 H new ATOM 410 N LYS A 25 60.403 -5.695 -11.512 1.00 1.00 N ATOM 411 CA LYS A 25 60.970 -7.050 -11.334 1.00 1.00 C ATOM 412 C LYS A 25 61.142 -7.341 -9.828 1.00 1.00 C ATOM 413 O LYS A 25 60.589 -8.316 -9.321 1.00 1.00 O ATOM 414 CB LYS A 25 62.307 -7.220 -12.114 1.00 1.00 C ATOM 415 CG LYS A 25 62.648 -8.726 -12.224 1.00 1.00 C ATOM 416 CD LYS A 25 64.023 -8.949 -12.903 1.00 1.00 C ATOM 417 CE LYS A 25 64.091 -8.220 -14.255 1.00 1.00 C ATOM 418 NZ LYS A 25 65.177 -8.820 -15.081 1.00 1.00 N ATOM 0 H LYS A 25 61.057 -4.997 -11.867 1.00 1.00 H new ATOM 0 HA LYS A 25 60.277 -7.780 -11.753 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.219 -6.782 -13.108 1.00 1.00 H new ATOM 0 HB3 LYS A 25 63.110 -6.690 -11.602 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.656 -9.172 -11.229 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.872 -9.235 -12.796 1.00 1.00 H new ATOM 0 HD2 LYS A 25 64.818 -8.589 -12.250 1.00 1.00 H new ATOM 0 HD3 LYS A 25 64.191 -10.016 -13.051 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.136 -8.301 -14.774 1.00 1.00 H new ATOM 0 HE3 LYS A 25 64.280 -7.158 -14.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 65.227 -8.330 -15.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 66.086 -8.721 -14.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.977 -9.828 -15.238 1.00 1.00 H new ATOM 432 N ASN A 26 61.895 -6.497 -9.126 1.00 1.00 N ATOM 433 CA ASN A 26 62.142 -6.650 -7.687 1.00 1.00 C ATOM 434 C ASN A 26 60.851 -6.793 -6.888 1.00 1.00 C ATOM 435 O ASN A 26 60.837 -7.276 -5.756 1.00 1.00 O ATOM 436 CB ASN A 26 62.855 -5.387 -7.207 1.00 1.00 C ATOM 437 CG ASN A 26 64.229 -5.307 -7.855 1.00 1.00 C ATOM 438 OD1 ASN A 26 64.344 -4.948 -9.023 1.00 1.00 O ATOM 439 ND2 ASN A 26 65.283 -5.637 -7.163 1.00 1.00 N ATOM 0 H ASN A 26 62.354 -5.684 -9.537 1.00 1.00 H new ATOM 0 HA ASN A 26 62.733 -7.553 -7.534 1.00 1.00 H new ATOM 0 HB2 ASN A 26 62.268 -4.505 -7.463 1.00 1.00 H new ATOM 0 HB3 ASN A 26 62.953 -5.401 -6.121 1.00 1.00 H new ATOM 0 HD21 ASN A 26 66.208 -5.597 -7.592 1.00 1.00 H new ATOM 0 HD22 ASN A 26 65.183 -5.935 -6.193 1.00 1.00 H new ATOM 446 N LYS A 27 59.817 -6.216 -7.455 1.00 1.00 N ATOM 447 CA LYS A 27 58.539 -6.104 -6.769 1.00 1.00 C ATOM 448 C LYS A 27 58.035 -7.420 -6.148 1.00 1.00 C ATOM 449 O LYS A 27 57.718 -7.428 -4.959 1.00 1.00 O ATOM 450 CB LYS A 27 57.505 -5.583 -7.769 1.00 1.00 C ATOM 451 CG LYS A 27 56.197 -5.196 -7.043 1.00 1.00 C ATOM 452 CD LYS A 27 55.290 -4.464 -8.036 1.00 1.00 C ATOM 453 CE LYS A 27 53.958 -4.117 -7.363 1.00 1.00 C ATOM 454 NZ LYS A 27 54.213 -3.509 -6.025 1.00 1.00 N ATOM 0 H LYS A 27 59.830 -5.814 -8.392 1.00 1.00 H new ATOM 0 HA LYS A 27 58.683 -5.420 -5.933 1.00 1.00 H new ATOM 0 HB2 LYS A 27 57.905 -4.717 -8.297 1.00 1.00 H new ATOM 0 HB3 LYS A 27 57.299 -6.346 -8.519 1.00 1.00 H new ATOM 0 HG2 LYS A 27 55.699 -6.086 -6.660 1.00 1.00 H new ATOM 0 HG3 LYS A 27 56.414 -4.558 -6.186 1.00 1.00 H new ATOM 0 HD2 LYS A 27 55.778 -3.555 -8.387 1.00 1.00 H new ATOM 0 HD3 LYS A 27 55.114 -5.089 -8.911 1.00 1.00 H new ATOM 0 HE2 LYS A 27 53.394 -3.423 -7.987 1.00 1.00 H new ATOM 0 HE3 LYS A 27 53.350 -5.015 -7.255 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 53.362 -3.004 -5.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 54.449 -4.258 -5.343 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 55.007 -2.840 -6.093 1.00 1.00 H new ATOM 468 N TYR A 28 57.910 -8.522 -6.903 1.00 1.00 N ATOM 469 CA TYR A 28 57.383 -9.795 -6.343 1.00 1.00 C ATOM 470 C TYR A 28 58.487 -10.810 -5.992 1.00 1.00 C ATOM 471 O TYR A 28 58.185 -11.983 -5.766 1.00 1.00 O ATOM 472 CB TYR A 28 56.423 -10.418 -7.389 1.00 1.00 C ATOM 473 CG TYR A 28 55.092 -9.685 -7.380 1.00 1.00 C ATOM 474 CD1 TYR A 28 54.112 -10.043 -6.448 1.00 1.00 C ATOM 475 CD2 TYR A 28 54.844 -8.650 -8.293 1.00 1.00 C ATOM 476 CE1 TYR A 28 52.886 -9.371 -6.425 1.00 1.00 C ATOM 477 CE2 TYR A 28 53.614 -7.978 -8.271 1.00 1.00 C ATOM 478 CZ TYR A 28 52.636 -8.339 -7.336 1.00 1.00 C ATOM 479 OH TYR A 28 51.425 -7.677 -7.310 1.00 1.00 O ATOM 0 H TYR A 28 58.160 -8.567 -7.891 1.00 1.00 H new ATOM 0 HA TYR A 28 56.871 -9.563 -5.409 1.00 1.00 H new ATOM 0 HB2 TYR A 28 56.870 -10.364 -8.382 1.00 1.00 H new ATOM 0 HB3 TYR A 28 56.267 -11.474 -7.167 1.00 1.00 H new ATOM 0 HD1 TYR A 28 54.303 -10.840 -5.745 1.00 1.00 H new ATOM 0 HD2 TYR A 28 55.600 -8.371 -9.012 1.00 1.00 H new ATOM 0 HE1 TYR A 28 52.132 -9.649 -5.704 1.00 1.00 H new ATOM 0 HE2 TYR A 28 53.421 -7.182 -8.975 1.00 1.00 H new ATOM 0 HH TYR A 28 51.414 -6.988 -8.007 1.00 1.00 H new ATOM 489 N GLU A 29 59.754 -10.398 -6.003 1.00 1.00 N ATOM 490 CA GLU A 29 60.872 -11.335 -5.742 1.00 1.00 C ATOM 491 C GLU A 29 61.868 -10.867 -4.678 1.00 1.00 C ATOM 492 O GLU A 29 62.833 -11.588 -4.420 1.00 1.00 O ATOM 493 CB GLU A 29 61.644 -11.546 -7.053 1.00 1.00 C ATOM 494 CG GLU A 29 62.305 -10.247 -7.499 1.00 1.00 C ATOM 495 CD GLU A 29 62.868 -10.408 -8.907 1.00 1.00 C ATOM 496 OE1 GLU A 29 62.173 -10.962 -9.741 1.00 1.00 O ATOM 497 OE2 GLU A 29 63.988 -9.977 -9.127 1.00 1.00 O ATOM 0 H GLU A 29 60.041 -9.437 -6.186 1.00 1.00 H new ATOM 0 HA GLU A 29 60.417 -12.249 -5.360 1.00 1.00 H new ATOM 0 HB2 GLU A 29 62.401 -12.318 -6.916 1.00 1.00 H new ATOM 0 HB3 GLU A 29 60.965 -11.900 -7.829 1.00 1.00 H new ATOM 0 HG2 GLU A 29 61.579 -9.434 -7.479 1.00 1.00 H new ATOM 0 HG3 GLU A 29 63.103 -9.979 -6.807 1.00 1.00 H new ATOM 504 N LEU A 30 61.685 -9.667 -4.072 1.00 1.00 N ATOM 505 CA LEU A 30 62.648 -9.147 -3.054 1.00 1.00 C ATOM 506 C LEU A 30 61.981 -9.086 -1.671 1.00 1.00 C ATOM 507 O LEU A 30 62.658 -9.179 -0.647 1.00 1.00 O ATOM 508 CB LEU A 30 63.158 -7.773 -3.542 1.00 1.00 C ATOM 509 CG LEU A 30 63.964 -7.021 -2.475 1.00 1.00 C ATOM 510 CD1 LEU A 30 65.271 -7.753 -2.173 1.00 1.00 C ATOM 511 CD2 LEU A 30 64.292 -5.626 -3.008 1.00 1.00 C ATOM 0 H LEU A 30 60.897 -9.048 -4.262 1.00 1.00 H new ATOM 0 HA LEU A 30 63.504 -9.812 -2.943 1.00 1.00 H new ATOM 0 HB2 LEU A 30 63.779 -7.915 -4.426 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.308 -7.162 -3.845 1.00 1.00 H new ATOM 0 HG LEU A 30 63.375 -6.960 -1.560 1.00 1.00 H new ATOM 0 HD11 LEU A 30 65.828 -7.204 -1.414 1.00 1.00 H new ATOM 0 HD12 LEU A 30 65.050 -8.756 -1.807 1.00 1.00 H new ATOM 0 HD13 LEU A 30 65.868 -7.822 -3.082 1.00 1.00 H new ATOM 0 HD21 LEU A 30 64.865 -5.077 -2.261 1.00 1.00 H new ATOM 0 HD22 LEU A 30 64.878 -5.715 -3.923 1.00 1.00 H new ATOM 0 HD23 LEU A 30 63.367 -5.091 -3.220 1.00 1.00 H new ATOM 523 N SER A 31 60.656 -8.968 -1.692 1.00 1.00 N ATOM 524 CA SER A 31 59.771 -8.937 -0.518 1.00 1.00 C ATOM 525 C SER A 31 59.191 -7.539 -0.389 1.00 1.00 C ATOM 526 O SER A 31 59.617 -6.657 -1.116 1.00 1.00 O ATOM 527 CB SER A 31 60.452 -9.381 0.775 1.00 1.00 C ATOM 528 OG SER A 31 61.336 -8.377 1.212 1.00 1.00 O ATOM 0 H SER A 31 60.140 -8.887 -2.568 1.00 1.00 H new ATOM 0 HA SER A 31 58.975 -9.664 -0.677 1.00 1.00 H new ATOM 0 HB2 SER A 31 59.704 -9.580 1.542 1.00 1.00 H new ATOM 0 HB3 SER A 31 60.995 -10.312 0.611 1.00 1.00 H new ATOM 0 HG SER A 31 61.923 -8.738 1.909 1.00 1.00 H new ATOM 534 N ASP A 32 58.224 -7.313 0.496 1.00 1.00 N ATOM 535 CA ASP A 32 57.645 -5.957 0.592 1.00 1.00 C ATOM 536 C ASP A 32 58.490 -4.919 1.386 1.00 1.00 C ATOM 537 O ASP A 32 58.829 -3.882 0.838 1.00 1.00 O ATOM 538 CB ASP A 32 56.264 -6.095 1.238 1.00 1.00 C ATOM 539 CG ASP A 32 55.614 -4.729 1.475 1.00 1.00 C ATOM 540 OD1 ASP A 32 55.300 -4.067 0.500 1.00 1.00 O ATOM 541 OD2 ASP A 32 55.441 -4.370 2.628 1.00 1.00 O ATOM 0 H ASP A 32 57.833 -8.007 1.133 1.00 1.00 H new ATOM 0 HA ASP A 32 57.607 -5.558 -0.422 1.00 1.00 H new ATOM 0 HB2 ASP A 32 55.621 -6.699 0.598 1.00 1.00 H new ATOM 0 HB3 ASP A 32 56.356 -6.624 2.186 1.00 1.00 H new ATOM 546 N ASP A 33 58.692 -5.105 2.697 1.00 1.00 N ATOM 547 CA ASP A 33 59.335 -4.035 3.505 1.00 1.00 C ATOM 548 C ASP A 33 60.703 -3.633 2.948 1.00 1.00 C ATOM 549 O ASP A 33 61.211 -2.523 3.106 1.00 1.00 O ATOM 550 CB ASP A 33 59.489 -4.496 4.951 1.00 1.00 C ATOM 551 CG ASP A 33 59.854 -3.311 5.837 1.00 1.00 C ATOM 552 OD1 ASP A 33 60.867 -2.687 5.569 1.00 1.00 O ATOM 553 OD2 ASP A 33 59.112 -3.044 6.768 1.00 1.00 O ATOM 0 H ASP A 33 58.435 -5.946 3.213 1.00 1.00 H new ATOM 0 HA ASP A 33 58.687 -3.160 3.458 1.00 1.00 H new ATOM 0 HB2 ASP A 33 58.560 -4.949 5.298 1.00 1.00 H new ATOM 0 HB3 ASP A 33 60.261 -5.262 5.017 1.00 1.00 H new ATOM 558 N GLU A 34 61.244 -4.646 2.322 1.00 1.00 N ATOM 559 CA GLU A 34 62.569 -4.566 1.715 1.00 1.00 C ATOM 560 C GLU A 34 62.571 -3.395 0.737 1.00 1.00 C ATOM 561 O GLU A 34 63.532 -2.632 0.689 1.00 1.00 O ATOM 562 CB GLU A 34 62.986 -5.885 1.042 1.00 1.00 C ATOM 563 CG GLU A 34 63.445 -6.904 2.112 1.00 1.00 C ATOM 564 CD GLU A 34 63.966 -8.169 1.443 1.00 1.00 C ATOM 565 OE1 GLU A 34 64.791 -8.045 0.556 1.00 1.00 O ATOM 566 OE2 GLU A 34 63.535 -9.241 1.831 1.00 1.00 O ATOM 0 H GLU A 34 60.789 -5.552 2.213 1.00 1.00 H new ATOM 0 HA GLU A 34 63.314 -4.396 2.492 1.00 1.00 H new ATOM 0 HB2 GLU A 34 62.150 -6.293 0.474 1.00 1.00 H new ATOM 0 HB3 GLU A 34 63.793 -5.702 0.333 1.00 1.00 H new ATOM 0 HG2 GLU A 34 64.226 -6.464 2.733 1.00 1.00 H new ATOM 0 HG3 GLU A 34 62.613 -7.149 2.772 1.00 1.00 H new ATOM 573 N LEU A 35 61.539 -3.306 -0.097 1.00 1.00 N ATOM 574 CA LEU A 35 61.491 -2.268 -1.129 1.00 1.00 C ATOM 575 C LEU A 35 61.976 -0.900 -0.576 1.00 1.00 C ATOM 576 O LEU A 35 62.386 -0.048 -1.364 1.00 1.00 O ATOM 577 CB LEU A 35 60.038 -2.131 -1.699 1.00 1.00 C ATOM 578 CG LEU A 35 59.781 -2.977 -2.970 1.00 1.00 C ATOM 579 CD1 LEU A 35 60.778 -2.683 -4.106 1.00 1.00 C ATOM 580 CD2 LEU A 35 59.770 -4.460 -2.624 1.00 1.00 C ATOM 0 H LEU A 35 60.733 -3.930 -0.082 1.00 1.00 H new ATOM 0 HA LEU A 35 62.163 -2.567 -1.933 1.00 1.00 H new ATOM 0 HB2 LEU A 35 59.326 -2.426 -0.928 1.00 1.00 H new ATOM 0 HB3 LEU A 35 59.845 -1.083 -1.927 1.00 1.00 H new ATOM 0 HG LEU A 35 58.800 -2.689 -3.348 1.00 1.00 H new ATOM 0 HD11 LEU A 35 60.543 -3.308 -4.967 1.00 1.00 H new ATOM 0 HD12 LEU A 35 60.707 -1.633 -4.390 1.00 1.00 H new ATOM 0 HD13 LEU A 35 61.791 -2.899 -3.766 1.00 1.00 H new ATOM 0 HD21 LEU A 35 59.588 -5.043 -3.527 1.00 1.00 H new ATOM 0 HD22 LEU A 35 60.733 -4.741 -2.198 1.00 1.00 H new ATOM 0 HD23 LEU A 35 58.981 -4.659 -1.899 1.00 1.00 H new ATOM 592 N GLU A 36 61.957 -0.674 0.746 1.00 1.00 N ATOM 593 CA GLU A 36 62.437 0.622 1.249 1.00 1.00 C ATOM 594 C GLU A 36 63.898 0.788 0.802 1.00 1.00 C ATOM 595 O GLU A 36 64.362 1.859 0.446 1.00 1.00 O ATOM 596 CB GLU A 36 62.334 0.691 2.776 1.00 1.00 C ATOM 597 CG GLU A 36 60.865 0.750 3.209 1.00 1.00 C ATOM 598 CD GLU A 36 60.782 1.010 4.710 1.00 1.00 C ATOM 599 OE1 GLU A 36 61.626 0.497 5.426 1.00 1.00 O ATOM 600 OE2 GLU A 36 59.879 1.720 5.120 1.00 1.00 O ATOM 0 H GLU A 36 61.633 -1.333 1.454 1.00 1.00 H new ATOM 0 HA GLU A 36 61.821 1.427 0.847 1.00 1.00 H new ATOM 0 HB2 GLU A 36 62.816 -0.180 3.219 1.00 1.00 H new ATOM 0 HB3 GLU A 36 62.864 1.570 3.144 1.00 1.00 H new ATOM 0 HG2 GLU A 36 60.347 1.539 2.664 1.00 1.00 H new ATOM 0 HG3 GLU A 36 60.366 -0.187 2.964 1.00 1.00 H new ATOM 607 N LEU A 37 64.583 -0.353 0.835 1.00 1.00 N ATOM 608 CA LEU A 37 65.998 -0.415 0.422 1.00 1.00 C ATOM 609 C LEU A 37 66.061 0.130 -1.006 1.00 1.00 C ATOM 610 O LEU A 37 66.830 1.037 -1.316 1.00 1.00 O ATOM 611 CB LEU A 37 66.520 -1.881 0.405 1.00 1.00 C ATOM 612 CG LEU A 37 66.764 -2.410 1.848 1.00 1.00 C ATOM 613 CD1 LEU A 37 66.728 -3.948 1.852 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.143 -1.963 2.377 1.00 1.00 C ATOM 0 H LEU A 37 64.192 -1.245 1.140 1.00 1.00 H new ATOM 0 HA LEU A 37 66.610 0.156 1.120 1.00 1.00 H new ATOM 0 HB2 LEU A 37 65.798 -2.521 -0.102 1.00 1.00 H new ATOM 0 HB3 LEU A 37 67.447 -1.933 -0.165 1.00 1.00 H new ATOM 0 HG LEU A 37 65.980 -2.003 2.487 1.00 1.00 H new ATOM 0 HD11 LEU A 37 66.899 -4.313 2.865 1.00 1.00 H new ATOM 0 HD12 LEU A 37 65.754 -4.290 1.503 1.00 1.00 H new ATOM 0 HD13 LEU A 37 67.505 -4.332 1.191 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.287 -2.347 3.387 1.00 1.00 H new ATOM 0 HD22 LEU A 37 68.926 -2.352 1.726 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.191 -0.874 2.392 1.00 1.00 H new ATOM 626 N PHE A 38 65.261 -0.472 -1.860 1.00 1.00 N ATOM 627 CA PHE A 38 65.194 -0.139 -3.277 1.00 1.00 C ATOM 628 C PHE A 38 64.751 1.315 -3.528 1.00 1.00 C ATOM 629 O PHE A 38 65.258 1.975 -4.414 1.00 1.00 O ATOM 630 CB PHE A 38 64.200 -1.155 -3.948 1.00 1.00 C ATOM 631 CG PHE A 38 64.790 -1.793 -5.184 1.00 1.00 C ATOM 632 CD1 PHE A 38 65.785 -2.752 -5.033 1.00 1.00 C ATOM 633 CD2 PHE A 38 64.346 -1.431 -6.449 1.00 1.00 C ATOM 634 CE1 PHE A 38 66.347 -3.358 -6.152 1.00 1.00 C ATOM 635 CE2 PHE A 38 64.898 -2.031 -7.580 1.00 1.00 C ATOM 636 CZ PHE A 38 65.905 -2.999 -7.433 1.00 1.00 C ATOM 0 H PHE A 38 64.625 -1.222 -1.589 1.00 1.00 H new ATOM 0 HA PHE A 38 66.190 -0.217 -3.713 1.00 1.00 H new ATOM 0 HB2 PHE A 38 63.936 -1.932 -3.230 1.00 1.00 H new ATOM 0 HB3 PHE A 38 63.277 -0.638 -4.212 1.00 1.00 H new ATOM 0 HD1 PHE A 38 66.122 -3.027 -4.045 1.00 1.00 H new ATOM 0 HD2 PHE A 38 63.573 -0.685 -6.557 1.00 1.00 H new ATOM 0 HE1 PHE A 38 67.121 -4.102 -6.034 1.00 1.00 H new ATOM 0 HE2 PHE A 38 64.553 -1.753 -8.565 1.00 1.00 H new ATOM 0 HZ PHE A 38 66.338 -3.466 -8.305 1.00 1.00 H new ATOM 646 N TYR A 39 63.858 1.810 -2.686 1.00 1.00 N ATOM 647 CA TYR A 39 63.419 3.223 -2.786 1.00 1.00 C ATOM 648 C TYR A 39 64.436 4.150 -2.113 1.00 1.00 C ATOM 649 O TYR A 39 64.960 5.076 -2.738 1.00 1.00 O ATOM 650 CB TYR A 39 61.993 3.418 -2.266 1.00 1.00 C ATOM 651 CG TYR A 39 61.017 2.913 -3.312 1.00 1.00 C ATOM 652 CD1 TYR A 39 60.859 3.628 -4.504 1.00 1.00 C ATOM 653 CD2 TYR A 39 60.295 1.729 -3.104 1.00 1.00 C ATOM 654 CE1 TYR A 39 59.975 3.162 -5.488 1.00 1.00 C ATOM 655 CE2 TYR A 39 59.414 1.262 -4.087 1.00 1.00 C ATOM 656 CZ TYR A 39 59.253 1.980 -5.278 1.00 1.00 C ATOM 657 OH TYR A 39 58.385 1.523 -6.249 1.00 1.00 O ATOM 0 H TYR A 39 63.420 1.279 -1.933 1.00 1.00 H new ATOM 0 HA TYR A 39 63.384 3.497 -3.840 1.00 1.00 H new ATOM 0 HB2 TYR A 39 61.856 2.877 -1.330 1.00 1.00 H new ATOM 0 HB3 TYR A 39 61.809 4.472 -2.056 1.00 1.00 H new ATOM 0 HD1 TYR A 39 61.417 4.538 -4.666 1.00 1.00 H new ATOM 0 HD2 TYR A 39 60.419 1.177 -2.184 1.00 1.00 H new ATOM 0 HE1 TYR A 39 59.851 3.714 -6.408 1.00 1.00 H new ATOM 0 HE2 TYR A 39 58.859 0.349 -3.927 1.00 1.00 H new ATOM 0 HH TYR A 39 57.965 0.691 -5.947 1.00 1.00 H new ATOM 667 N SER A 40 64.721 3.904 -0.866 1.00 1.00 N ATOM 668 CA SER A 40 65.681 4.718 -0.139 1.00 1.00 C ATOM 669 C SER A 40 67.035 4.767 -0.865 1.00 1.00 C ATOM 670 O SER A 40 67.723 5.788 -0.855 1.00 1.00 O ATOM 671 CB SER A 40 65.872 4.115 1.252 1.00 1.00 C ATOM 672 OG SER A 40 66.560 5.041 2.083 1.00 1.00 O ATOM 0 H SER A 40 64.307 3.147 -0.322 1.00 1.00 H new ATOM 0 HA SER A 40 65.300 5.737 -0.070 1.00 1.00 H new ATOM 0 HB2 SER A 40 64.904 3.869 1.689 1.00 1.00 H new ATOM 0 HB3 SER A 40 66.436 3.185 1.182 1.00 1.00 H new ATOM 0 HG SER A 40 66.680 4.653 2.975 1.00 1.00 H new ATOM 678 N ALA A 41 67.414 3.630 -1.471 1.00 1.00 N ATOM 679 CA ALA A 41 68.719 3.546 -2.179 1.00 1.00 C ATOM 680 C ALA A 41 68.647 4.175 -3.578 1.00 1.00 C ATOM 681 O ALA A 41 69.435 5.056 -3.912 1.00 1.00 O ATOM 682 CB ALA A 41 69.185 2.093 -2.289 1.00 1.00 C ATOM 0 H ALA A 41 66.859 2.774 -1.491 1.00 1.00 H new ATOM 0 HA ALA A 41 69.441 4.110 -1.588 1.00 1.00 H new ATOM 0 HB1 ALA A 41 70.141 2.056 -2.810 1.00 1.00 H new ATOM 0 HB2 ALA A 41 69.300 1.671 -1.291 1.00 1.00 H new ATOM 0 HB3 ALA A 41 68.446 1.515 -2.845 1.00 1.00 H new ATOM 688 N ALA A 42 67.763 3.642 -4.415 1.00 1.00 N ATOM 689 CA ALA A 42 67.660 4.070 -5.814 1.00 1.00 C ATOM 690 C ALA A 42 67.541 5.585 -6.018 1.00 1.00 C ATOM 691 O ALA A 42 68.040 6.113 -7.002 1.00 1.00 O ATOM 692 CB ALA A 42 66.412 3.444 -6.432 1.00 1.00 C ATOM 0 H ALA A 42 67.103 2.910 -4.152 1.00 1.00 H new ATOM 0 HA ALA A 42 68.590 3.747 -6.283 1.00 1.00 H new ATOM 0 HB1 ALA A 42 66.326 3.756 -7.473 1.00 1.00 H new ATOM 0 HB2 ALA A 42 66.488 2.358 -6.384 1.00 1.00 H new ATOM 0 HB3 ALA A 42 65.530 3.771 -5.881 1.00 1.00 H new ATOM 698 N ASP A 43 66.849 6.289 -5.125 1.00 1.00 N ATOM 699 CA ASP A 43 66.673 7.736 -5.306 1.00 1.00 C ATOM 700 C ASP A 43 68.037 8.396 -5.524 1.00 1.00 C ATOM 701 O ASP A 43 68.200 9.216 -6.407 1.00 1.00 O ATOM 702 CB ASP A 43 65.946 8.340 -4.081 1.00 1.00 C ATOM 703 CG ASP A 43 65.211 9.631 -4.455 1.00 1.00 C ATOM 704 OD1 ASP A 43 65.494 10.166 -5.513 1.00 1.00 O ATOM 705 OD2 ASP A 43 64.378 10.060 -3.674 1.00 1.00 O ATOM 0 H ASP A 43 66.411 5.900 -4.290 1.00 1.00 H new ATOM 0 HA ASP A 43 66.057 7.922 -6.186 1.00 1.00 H new ATOM 0 HB2 ASP A 43 65.235 7.616 -3.683 1.00 1.00 H new ATOM 0 HB3 ASP A 43 66.668 8.545 -3.291 1.00 1.00 H new ATOM 710 N HIS A 44 68.965 8.042 -4.651 1.00 1.00 N ATOM 711 CA HIS A 44 70.318 8.613 -4.667 1.00 1.00 C ATOM 712 C HIS A 44 70.854 8.708 -6.114 1.00 1.00 C ATOM 713 O HIS A 44 71.488 9.695 -6.488 1.00 1.00 O ATOM 714 CB HIS A 44 71.231 7.722 -3.831 1.00 1.00 C ATOM 715 CG HIS A 44 70.832 7.812 -2.379 1.00 1.00 C ATOM 716 ND1 HIS A 44 69.508 7.759 -1.970 1.00 1.00 N ATOM 717 CD2 HIS A 44 71.573 7.956 -1.232 1.00 1.00 C ATOM 718 CE1 HIS A 44 69.493 7.868 -0.629 1.00 1.00 C ATOM 719 NE2 HIS A 44 70.725 7.990 -0.128 1.00 1.00 N ATOM 0 H HIS A 44 68.812 7.356 -3.912 1.00 1.00 H new ATOM 0 HA HIS A 44 70.291 9.620 -4.251 1.00 1.00 H new ATOM 0 HB2 HIS A 44 71.163 6.690 -4.174 1.00 1.00 H new ATOM 0 HB3 HIS A 44 72.269 8.031 -3.953 1.00 1.00 H new ATOM 0 HD2 HIS A 44 72.650 8.031 -1.192 1.00 1.00 H new ATOM 0 HE1 HIS A 44 68.594 7.858 -0.031 1.00 1.00 H new ATOM 0 HE2 HIS A 44 70.988 8.087 0.853 1.00 1.00 H new ATOM 728 N ARG A 45 70.575 7.685 -6.909 1.00 1.00 N ATOM 729 CA ARG A 45 70.984 7.615 -8.321 1.00 1.00 C ATOM 730 C ARG A 45 70.203 8.635 -9.201 1.00 1.00 C ATOM 731 O ARG A 45 70.541 8.880 -10.346 1.00 1.00 O ATOM 732 CB ARG A 45 70.776 6.160 -8.817 1.00 1.00 C ATOM 733 CG ARG A 45 70.936 6.025 -10.353 1.00 1.00 C ATOM 734 CD ARG A 45 72.313 6.533 -10.877 1.00 1.00 C ATOM 735 NE ARG A 45 72.473 6.190 -12.285 1.00 1.00 N ATOM 736 CZ ARG A 45 73.625 6.407 -12.914 1.00 1.00 C ATOM 737 NH1 ARG A 45 74.635 6.915 -12.263 1.00 1.00 N ATOM 738 NH2 ARG A 45 73.747 6.112 -14.180 1.00 1.00 N ATOM 0 H ARG A 45 70.053 6.867 -6.597 1.00 1.00 H new ATOM 0 HA ARG A 45 72.036 7.886 -8.407 1.00 1.00 H new ATOM 0 HB2 ARG A 45 71.493 5.505 -8.322 1.00 1.00 H new ATOM 0 HB3 ARG A 45 69.782 5.820 -8.528 1.00 1.00 H new ATOM 0 HG2 ARG A 45 70.812 4.979 -10.634 1.00 1.00 H new ATOM 0 HG3 ARG A 45 70.140 6.584 -10.845 1.00 1.00 H new ATOM 0 HD2 ARG A 45 72.384 7.613 -10.748 1.00 1.00 H new ATOM 0 HD3 ARG A 45 73.119 6.089 -10.293 1.00 1.00 H new ATOM 0 HE ARG A 45 71.691 5.778 -12.795 1.00 1.00 H new ATOM 0 HH11 ARG A 45 74.540 7.145 -11.274 1.00 1.00 H new ATOM 0 HH12 ARG A 45 75.519 7.082 -12.743 1.00 1.00 H new ATOM 0 HH21 ARG A 45 72.958 5.714 -14.689 1.00 1.00 H new ATOM 0 HH22 ARG A 45 74.631 6.279 -14.660 1.00 1.00 H new ATOM 752 N LEU A 46 69.131 9.207 -8.684 1.00 1.00 N ATOM 753 CA LEU A 46 68.338 10.173 -9.475 1.00 1.00 C ATOM 754 C LEU A 46 69.006 11.575 -9.570 1.00 1.00 C ATOM 755 O LEU A 46 69.138 12.124 -10.664 1.00 1.00 O ATOM 756 CB LEU A 46 66.933 10.263 -8.852 1.00 1.00 C ATOM 757 CG LEU A 46 65.947 11.108 -9.744 1.00 1.00 C ATOM 758 CD1 LEU A 46 64.516 10.539 -9.662 1.00 1.00 C ATOM 759 CD2 LEU A 46 65.898 12.580 -9.282 1.00 1.00 C ATOM 0 H LEU A 46 68.782 9.035 -7.741 1.00 1.00 H new ATOM 0 HA LEU A 46 68.276 9.815 -10.503 1.00 1.00 H new ATOM 0 HB2 LEU A 46 66.531 9.259 -8.718 1.00 1.00 H new ATOM 0 HB3 LEU A 46 67.003 10.713 -7.862 1.00 1.00 H new ATOM 0 HG LEU A 46 66.319 11.054 -10.767 1.00 1.00 H new ATOM 0 HD11 LEU A 46 63.851 11.137 -10.285 1.00 1.00 H new ATOM 0 HD12 LEU A 46 64.514 9.508 -10.014 1.00 1.00 H new ATOM 0 HD13 LEU A 46 64.171 10.570 -8.629 1.00 1.00 H new ATOM 0 HD21 LEU A 46 65.209 13.138 -9.917 1.00 1.00 H new ATOM 0 HD22 LEU A 46 65.556 12.626 -8.248 1.00 1.00 H new ATOM 0 HD23 LEU A 46 66.894 13.018 -9.355 1.00 1.00 H new ATOM 771 N ALA A 47 69.385 12.165 -8.427 1.00 1.00 N ATOM 772 CA ALA A 47 69.995 13.522 -8.411 1.00 1.00 C ATOM 773 C ALA A 47 71.282 13.585 -9.251 1.00 1.00 C ATOM 774 O ALA A 47 71.549 14.556 -9.958 1.00 1.00 O ATOM 775 CB ALA A 47 70.311 13.938 -6.974 1.00 1.00 C ATOM 0 H ALA A 47 69.286 11.738 -7.506 1.00 1.00 H new ATOM 0 HA ALA A 47 69.270 14.208 -8.849 1.00 1.00 H new ATOM 0 HB1 ALA A 47 70.757 14.933 -6.973 1.00 1.00 H new ATOM 0 HB2 ALA A 47 69.392 13.952 -6.389 1.00 1.00 H new ATOM 0 HB3 ALA A 47 71.010 13.226 -6.535 1.00 1.00 H new ATOM 781 N GLU A 48 72.023 12.503 -9.187 1.00 1.00 N ATOM 782 CA GLU A 48 73.246 12.406 -9.992 1.00 1.00 C ATOM 783 C GLU A 48 72.795 12.456 -11.466 1.00 1.00 C ATOM 784 O GLU A 48 73.272 13.288 -12.238 1.00 1.00 O ATOM 785 CB GLU A 48 74.139 11.191 -9.594 1.00 1.00 C ATOM 786 CG GLU A 48 73.693 9.878 -10.245 1.00 1.00 C ATOM 787 CD GLU A 48 74.287 9.712 -11.647 1.00 1.00 C ATOM 788 OE1 GLU A 48 75.405 9.232 -11.739 1.00 1.00 O ATOM 789 OE2 GLU A 48 73.623 10.062 -12.600 1.00 1.00 O ATOM 0 H GLU A 48 71.819 11.690 -8.606 1.00 1.00 H new ATOM 0 HA GLU A 48 73.923 13.239 -9.806 1.00 1.00 H new ATOM 0 HB2 GLU A 48 75.171 11.398 -9.878 1.00 1.00 H new ATOM 0 HB3 GLU A 48 74.123 11.076 -8.510 1.00 1.00 H new ATOM 0 HG2 GLU A 48 73.997 9.039 -9.619 1.00 1.00 H new ATOM 0 HG3 GLU A 48 72.605 9.852 -10.305 1.00 1.00 H new ATOM 796 N LEU A 49 71.862 11.583 -11.836 1.00 1.00 N ATOM 797 CA LEU A 49 71.322 11.544 -13.199 1.00 1.00 C ATOM 798 C LEU A 49 70.734 12.899 -13.586 1.00 1.00 C ATOM 799 O LEU A 49 70.844 13.321 -14.735 1.00 1.00 O ATOM 800 CB LEU A 49 70.208 10.473 -13.274 1.00 1.00 C ATOM 801 CG LEU A 49 70.815 9.048 -13.323 1.00 1.00 C ATOM 802 CD1 LEU A 49 69.688 8.027 -13.123 1.00 1.00 C ATOM 803 CD2 LEU A 49 71.539 8.782 -14.683 1.00 1.00 C ATOM 0 H LEU A 49 71.459 10.887 -11.208 1.00 1.00 H new ATOM 0 HA LEU A 49 72.131 11.301 -13.888 1.00 1.00 H new ATOM 0 HB2 LEU A 49 69.552 10.564 -12.409 1.00 1.00 H new ATOM 0 HB3 LEU A 49 69.594 10.642 -14.159 1.00 1.00 H new ATOM 0 HG LEU A 49 71.558 8.954 -12.531 1.00 1.00 H new ATOM 0 HD11 LEU A 49 70.101 7.019 -13.155 1.00 1.00 H new ATOM 0 HD12 LEU A 49 69.213 8.194 -12.156 1.00 1.00 H new ATOM 0 HD13 LEU A 49 68.948 8.142 -13.915 1.00 1.00 H new ATOM 0 HD21 LEU A 49 71.953 7.774 -14.684 1.00 1.00 H new ATOM 0 HD22 LEU A 49 70.825 8.882 -15.501 1.00 1.00 H new ATOM 0 HD23 LEU A 49 72.344 9.505 -14.814 1.00 1.00 H new ATOM 815 N THR A 50 70.081 13.563 -12.638 1.00 1.00 N ATOM 816 CA THR A 50 69.452 14.850 -12.934 1.00 1.00 C ATOM 817 C THR A 50 70.488 15.792 -13.551 1.00 1.00 C ATOM 818 O THR A 50 70.174 16.536 -14.480 1.00 1.00 O ATOM 819 CB THR A 50 68.809 15.422 -11.651 1.00 1.00 C ATOM 820 OG1 THR A 50 67.830 14.499 -11.194 1.00 1.00 O ATOM 821 CG2 THR A 50 68.124 16.807 -11.873 1.00 1.00 C ATOM 0 H THR A 50 69.973 13.242 -11.676 1.00 1.00 H new ATOM 0 HA THR A 50 68.651 14.727 -13.664 1.00 1.00 H new ATOM 0 HB THR A 50 69.606 15.570 -10.922 1.00 1.00 H new ATOM 0 HG1 THR A 50 68.271 13.678 -10.891 1.00 1.00 H new ATOM 0 HG21 THR A 50 67.692 17.154 -10.934 1.00 1.00 H new ATOM 0 HG22 THR A 50 68.864 17.528 -12.220 1.00 1.00 H new ATOM 0 HG23 THR A 50 67.337 16.708 -12.620 1.00 1.00 H new ATOM 829 N MET A 51 71.739 15.699 -13.096 1.00 1.00 N ATOM 830 CA MET A 51 72.843 16.486 -13.678 1.00 1.00 C ATOM 831 C MET A 51 73.582 15.501 -14.592 1.00 1.00 C ATOM 832 O MET A 51 73.094 15.222 -15.684 1.00 1.00 O ATOM 833 CB MET A 51 73.768 17.120 -12.571 1.00 1.00 C ATOM 834 CG MET A 51 73.422 16.595 -11.167 1.00 1.00 C ATOM 835 SD MET A 51 74.215 17.663 -9.938 1.00 1.00 S ATOM 836 CE MET A 51 75.932 17.405 -10.446 1.00 1.00 C ATOM 0 H MET A 51 72.019 15.089 -12.328 1.00 1.00 H new ATOM 0 HA MET A 51 72.485 17.350 -14.238 1.00 1.00 H new ATOM 0 HB2 MET A 51 74.811 16.895 -12.796 1.00 1.00 H new ATOM 0 HB3 MET A 51 73.665 18.205 -12.589 1.00 1.00 H new ATOM 0 HG2 MET A 51 72.342 16.588 -11.021 1.00 1.00 H new ATOM 0 HG3 MET A 51 73.765 15.567 -11.052 1.00 1.00 H new ATOM 0 HE1 MET A 51 76.597 17.642 -9.615 1.00 1.00 H new ATOM 0 HE2 MET A 51 76.073 16.364 -10.738 1.00 1.00 H new ATOM 0 HE3 MET A 51 76.163 18.053 -11.291 1.00 1.00 H new ATOM 846 N ASN A 52 74.686 14.914 -14.119 1.00 1.00 N ATOM 847 CA ASN A 52 75.390 13.890 -14.900 1.00 1.00 C ATOM 848 C ASN A 52 76.664 13.424 -14.182 1.00 1.00 C ATOM 849 O ASN A 52 77.552 12.852 -14.816 1.00 1.00 O ATOM 850 CB ASN A 52 75.755 14.396 -16.313 1.00 1.00 C ATOM 851 CG ASN A 52 76.326 15.807 -16.223 1.00 1.00 C ATOM 852 OD1 ASN A 52 75.758 16.669 -15.554 1.00 1.00 O ATOM 853 ND2 ASN A 52 77.429 16.094 -16.857 1.00 1.00 N ATOM 0 H ASN A 52 75.107 15.125 -13.214 1.00 1.00 H new ATOM 0 HA ASN A 52 74.705 13.048 -14.999 1.00 1.00 H new ATOM 0 HB2 ASN A 52 76.483 13.727 -16.772 1.00 1.00 H new ATOM 0 HB3 ASN A 52 74.871 14.391 -16.951 1.00 1.00 H new ATOM 0 HD21 ASN A 52 77.821 17.034 -16.798 1.00 1.00 H new ATOM 0 HD22 ASN A 52 77.899 15.379 -17.412 1.00 1.00 H new ATOM 860 N LYS A 53 76.771 13.679 -12.865 1.00 1.00 N ATOM 861 CA LYS A 53 77.967 13.287 -12.090 1.00 1.00 C ATOM 862 C LYS A 53 77.639 12.125 -11.150 1.00 1.00 C ATOM 863 O LYS A 53 76.947 11.183 -11.535 1.00 1.00 O ATOM 864 CB LYS A 53 78.501 14.487 -11.287 1.00 1.00 C ATOM 865 CG LYS A 53 78.789 15.672 -12.230 1.00 1.00 C ATOM 866 CD LYS A 53 79.631 16.743 -11.503 1.00 1.00 C ATOM 867 CE LYS A 53 79.951 17.886 -12.469 1.00 1.00 C ATOM 868 NZ LYS A 53 80.613 18.993 -11.720 1.00 1.00 N ATOM 0 H LYS A 53 76.051 14.151 -12.317 1.00 1.00 H new ATOM 0 HA LYS A 53 78.739 12.962 -12.788 1.00 1.00 H new ATOM 0 HB2 LYS A 53 77.772 14.782 -10.532 1.00 1.00 H new ATOM 0 HB3 LYS A 53 79.411 14.204 -10.758 1.00 1.00 H new ATOM 0 HG2 LYS A 53 79.320 15.321 -13.115 1.00 1.00 H new ATOM 0 HG3 LYS A 53 77.851 16.108 -12.574 1.00 1.00 H new ATOM 0 HD2 LYS A 53 79.086 17.125 -10.640 1.00 1.00 H new ATOM 0 HD3 LYS A 53 80.554 16.301 -11.127 1.00 1.00 H new ATOM 0 HE2 LYS A 53 80.603 17.531 -13.267 1.00 1.00 H new ATOM 0 HE3 LYS A 53 79.036 18.246 -12.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 80.832 19.772 -12.373 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 79.976 19.336 -10.973 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 81.493 18.644 -11.290 1.00 1.00 H new ATOM 882 N LEU A 54 78.186 12.170 -9.932 1.00 1.00 N ATOM 883 CA LEU A 54 78.011 11.100 -8.940 1.00 1.00 C ATOM 884 C LEU A 54 77.672 11.680 -7.566 1.00 1.00 C ATOM 885 O LEU A 54 78.501 12.395 -7.000 1.00 1.00 O ATOM 886 CB LEU A 54 79.370 10.378 -8.845 1.00 1.00 C ATOM 887 CG LEU A 54 79.416 9.382 -7.662 1.00 1.00 C ATOM 888 CD1 LEU A 54 78.159 8.496 -7.644 1.00 1.00 C ATOM 889 CD2 LEU A 54 80.661 8.493 -7.800 1.00 1.00 C ATOM 0 H LEU A 54 78.761 12.946 -9.604 1.00 1.00 H new ATOM 0 HA LEU A 54 77.200 10.435 -9.237 1.00 1.00 H new ATOM 0 HB2 LEU A 54 79.563 9.844 -9.776 1.00 1.00 H new ATOM 0 HB3 LEU A 54 80.165 11.115 -8.729 1.00 1.00 H new ATOM 0 HG LEU A 54 79.456 9.947 -6.731 1.00 1.00 H new ATOM 0 HD11 LEU A 54 78.214 7.804 -6.804 1.00 1.00 H new ATOM 0 HD12 LEU A 54 77.273 9.123 -7.541 1.00 1.00 H new ATOM 0 HD13 LEU A 54 78.098 7.932 -8.575 1.00 1.00 H new ATOM 0 HD21 LEU A 54 80.699 7.789 -6.969 1.00 1.00 H new ATOM 0 HD22 LEU A 54 80.613 7.943 -8.740 1.00 1.00 H new ATOM 0 HD23 LEU A 54 81.556 9.116 -7.789 1.00 1.00 H new ATOM 901 N TYR A 55 76.491 11.365 -6.995 1.00 1.00 N ATOM 902 CA TYR A 55 76.138 11.873 -5.638 1.00 1.00 C ATOM 903 C TYR A 55 76.578 10.784 -4.646 1.00 1.00 C ATOM 904 O TYR A 55 77.553 10.122 -4.969 1.00 1.00 O ATOM 905 CB TYR A 55 74.628 12.206 -5.572 1.00 1.00 C ATOM 906 CG TYR A 55 74.360 13.632 -6.050 1.00 1.00 C ATOM 907 CD1 TYR A 55 75.143 14.217 -7.062 1.00 1.00 C ATOM 908 CD2 TYR A 55 73.328 14.376 -5.461 1.00 1.00 C ATOM 909 CE1 TYR A 55 74.891 15.529 -7.473 1.00 1.00 C ATOM 910 CE2 TYR A 55 73.081 15.691 -5.872 1.00 1.00 C ATOM 911 CZ TYR A 55 73.862 16.268 -6.876 1.00 1.00 C ATOM 912 OH TYR A 55 73.615 17.563 -7.279 1.00 1.00 O ATOM 0 H TYR A 55 75.779 10.779 -7.431 1.00 1.00 H new ATOM 0 HA TYR A 55 76.644 12.806 -5.390 1.00 1.00 H new ATOM 0 HB2 TYR A 55 74.069 11.501 -6.188 1.00 1.00 H new ATOM 0 HB3 TYR A 55 74.270 12.088 -4.549 1.00 1.00 H new ATOM 0 HD1 TYR A 55 75.940 13.652 -7.522 1.00 1.00 H new ATOM 0 HD2 TYR A 55 72.720 13.932 -4.686 1.00 1.00 H new ATOM 0 HE1 TYR A 55 75.491 15.974 -8.253 1.00 1.00 H new ATOM 0 HE2 TYR A 55 72.286 16.260 -5.413 1.00 1.00 H new ATOM 0 HH TYR A 55 73.425 17.576 -8.240 1.00 1.00 H new ATOM 922 N ASP A 56 75.873 10.574 -3.496 1.00 1.00 N ATOM 923 CA ASP A 56 76.223 9.507 -2.509 1.00 1.00 C ATOM 924 C ASP A 56 75.849 9.909 -1.061 1.00 1.00 C ATOM 925 O ASP A 56 76.723 10.024 -0.209 1.00 1.00 O ATOM 926 CB ASP A 56 77.728 9.073 -2.575 1.00 1.00 C ATOM 927 CG ASP A 56 78.144 8.199 -1.384 1.00 1.00 C ATOM 928 OD1 ASP A 56 77.395 7.296 -1.048 1.00 1.00 O ATOM 929 OD2 ASP A 56 79.203 8.447 -0.833 1.00 1.00 O ATOM 0 H ASP A 56 75.060 11.129 -3.230 1.00 1.00 H new ATOM 0 HA ASP A 56 75.623 8.644 -2.797 1.00 1.00 H new ATOM 0 HB2 ASP A 56 77.904 8.526 -3.501 1.00 1.00 H new ATOM 0 HB3 ASP A 56 78.358 9.962 -2.606 1.00 1.00 H new ATOM 934 N LYS A 57 74.540 10.066 -0.802 1.00 1.00 N ATOM 935 CA LYS A 57 73.910 10.371 0.506 1.00 1.00 C ATOM 936 C LYS A 57 73.042 11.585 0.201 1.00 1.00 C ATOM 937 O LYS A 57 73.645 12.619 -0.089 1.00 1.00 O ATOM 938 CB LYS A 57 74.892 10.689 1.665 1.00 1.00 C ATOM 939 CG LYS A 57 75.518 9.384 2.232 1.00 1.00 C ATOM 940 CD LYS A 57 76.835 9.703 2.953 1.00 1.00 C ATOM 941 CE LYS A 57 77.272 8.503 3.789 1.00 1.00 C ATOM 942 NZ LYS A 57 78.508 8.850 4.544 1.00 1.00 N ATOM 0 H LYS A 57 73.845 9.979 -1.543 1.00 1.00 H new ATOM 0 HA LYS A 57 73.374 9.496 0.874 1.00 1.00 H new ATOM 0 HB2 LYS A 57 75.681 11.351 1.308 1.00 1.00 H new ATOM 0 HB3 LYS A 57 74.366 11.220 2.458 1.00 1.00 H new ATOM 0 HG2 LYS A 57 74.822 8.907 2.922 1.00 1.00 H new ATOM 0 HG3 LYS A 57 75.699 8.676 1.423 1.00 1.00 H new ATOM 0 HD2 LYS A 57 77.608 9.951 2.225 1.00 1.00 H new ATOM 0 HD3 LYS A 57 76.707 10.576 3.593 1.00 1.00 H new ATOM 0 HE2 LYS A 57 76.478 8.219 4.480 1.00 1.00 H new ATOM 0 HE3 LYS A 57 77.456 7.644 3.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 78.807 8.033 5.114 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 79.264 9.101 3.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 78.317 9.658 5.170 1.00 1.00 H new ATOM 956 N ILE A 58 71.692 11.549 0.179 1.00 1.00 N ATOM 957 CA ILE A 58 70.910 12.765 -0.205 1.00 1.00 C ATOM 958 C ILE A 58 69.988 13.298 0.933 1.00 1.00 C ATOM 959 O ILE A 58 69.002 12.640 1.264 1.00 1.00 O ATOM 960 CB ILE A 58 70.037 12.427 -1.462 1.00 1.00 C ATOM 961 CG1 ILE A 58 70.904 12.463 -2.762 1.00 1.00 C ATOM 962 CG2 ILE A 58 68.878 13.465 -1.626 1.00 1.00 C ATOM 963 CD1 ILE A 58 72.109 11.513 -2.699 1.00 1.00 C ATOM 0 H ILE A 58 71.130 10.730 0.411 1.00 1.00 H new ATOM 0 HA ILE A 58 71.630 13.555 -0.418 1.00 1.00 H new ATOM 0 HB ILE A 58 69.626 11.428 -1.313 1.00 1.00 H new ATOM 0 HG12 ILE A 58 70.281 12.197 -3.616 1.00 1.00 H new ATOM 0 HG13 ILE A 58 71.257 13.480 -2.930 1.00 1.00 H new ATOM 0 HG21 ILE A 58 68.284 13.212 -2.504 1.00 1.00 H new ATOM 0 HG22 ILE A 58 68.243 13.444 -0.740 1.00 1.00 H new ATOM 0 HG23 ILE A 58 69.298 14.463 -1.748 1.00 1.00 H new ATOM 0 HD11 ILE A 58 72.674 11.580 -3.629 1.00 1.00 H new ATOM 0 HD12 ILE A 58 72.750 11.793 -1.863 1.00 1.00 H new ATOM 0 HD13 ILE A 58 71.759 10.490 -2.560 1.00 1.00 H new ATOM 975 N PRO A 59 70.184 14.508 1.429 1.00 1.00 N ATOM 976 CA PRO A 59 69.223 15.120 2.401 1.00 1.00 C ATOM 977 C PRO A 59 67.786 15.097 1.817 1.00 1.00 C ATOM 978 O PRO A 59 67.620 15.060 0.598 1.00 1.00 O ATOM 979 CB PRO A 59 69.734 16.580 2.523 1.00 1.00 C ATOM 980 CG PRO A 59 71.197 16.463 2.292 1.00 1.00 C ATOM 981 CD PRO A 59 71.330 15.416 1.179 1.00 1.00 C ATOM 0 HA PRO A 59 69.178 14.598 3.357 1.00 1.00 H new ATOM 0 HB2 PRO A 59 69.263 17.232 1.787 1.00 1.00 H new ATOM 0 HB3 PRO A 59 69.516 16.999 3.505 1.00 1.00 H new ATOM 0 HG2 PRO A 59 71.629 17.418 1.992 1.00 1.00 H new ATOM 0 HG3 PRO A 59 71.717 16.148 3.197 1.00 1.00 H new ATOM 0 HD2 PRO A 59 71.275 15.871 0.190 1.00 1.00 H new ATOM 0 HD3 PRO A 59 72.282 14.888 1.235 1.00 1.00 H new ATOM 989 N PRO A 60 66.767 15.133 2.636 1.00 1.00 N ATOM 990 CA PRO A 60 65.340 15.131 2.155 1.00 1.00 C ATOM 991 C PRO A 60 65.008 16.422 1.386 1.00 1.00 C ATOM 992 O PRO A 60 63.986 16.518 0.705 1.00 1.00 O ATOM 993 CB PRO A 60 64.525 15.010 3.464 1.00 1.00 C ATOM 994 CG PRO A 60 65.423 15.605 4.508 1.00 1.00 C ATOM 995 CD PRO A 60 66.843 15.194 4.103 1.00 1.00 C ATOM 0 HA PRO A 60 65.124 14.327 1.452 1.00 1.00 H new ATOM 0 HB2 PRO A 60 63.580 15.549 3.397 1.00 1.00 H new ATOM 0 HB3 PRO A 60 64.284 13.971 3.690 1.00 1.00 H new ATOM 0 HG2 PRO A 60 65.322 16.690 4.541 1.00 1.00 H new ATOM 0 HG3 PRO A 60 65.173 15.231 5.501 1.00 1.00 H new ATOM 0 HD2 PRO A 60 67.584 15.920 4.438 1.00 1.00 H new ATOM 0 HD3 PRO A 60 67.122 14.232 4.533 1.00 1.00 H new ATOM 1003 N THR A 61 65.887 17.402 1.531 1.00 1.00 N ATOM 1004 CA THR A 61 65.737 18.710 0.893 1.00 1.00 C ATOM 1005 C THR A 61 65.706 18.622 -0.630 1.00 1.00 C ATOM 1006 O THR A 61 64.983 19.361 -1.300 1.00 1.00 O ATOM 1007 CB THR A 61 66.932 19.572 1.292 1.00 1.00 C ATOM 1008 OG1 THR A 61 67.019 19.624 2.709 1.00 1.00 O ATOM 1009 CG2 THR A 61 66.769 20.989 0.737 1.00 1.00 C ATOM 0 H THR A 61 66.731 17.316 2.097 1.00 1.00 H new ATOM 0 HA THR A 61 64.789 19.134 1.223 1.00 1.00 H new ATOM 0 HB THR A 61 67.842 19.135 0.882 1.00 1.00 H new ATOM 0 HG1 THR A 61 67.786 20.175 2.970 1.00 1.00 H new ATOM 0 HG21 THR A 61 67.627 21.595 1.028 1.00 1.00 H new ATOM 0 HG22 THR A 61 66.705 20.949 -0.350 1.00 1.00 H new ATOM 0 HG23 THR A 61 65.858 21.434 1.138 1.00 1.00 H new ATOM 1017 N VAL A 62 66.554 17.762 -1.158 1.00 1.00 N ATOM 1018 CA VAL A 62 66.717 17.605 -2.598 1.00 1.00 C ATOM 1019 C VAL A 62 65.517 17.007 -3.340 1.00 1.00 C ATOM 1020 O VAL A 62 65.111 17.537 -4.371 1.00 1.00 O ATOM 1021 CB VAL A 62 67.899 16.670 -2.808 1.00 1.00 C ATOM 1022 CG1 VAL A 62 68.246 16.573 -4.300 1.00 1.00 C ATOM 1023 CG2 VAL A 62 69.114 17.202 -2.034 1.00 1.00 C ATOM 0 H VAL A 62 67.152 17.149 -0.604 1.00 1.00 H new ATOM 0 HA VAL A 62 66.849 18.607 -3.006 1.00 1.00 H new ATOM 0 HB VAL A 62 67.633 15.678 -2.443 1.00 1.00 H new ATOM 0 HG11 VAL A 62 69.093 15.901 -4.433 1.00 1.00 H new ATOM 0 HG12 VAL A 62 67.387 16.188 -4.849 1.00 1.00 H new ATOM 0 HG13 VAL A 62 68.504 17.562 -4.678 1.00 1.00 H new ATOM 0 HG21 VAL A 62 69.962 16.533 -2.183 1.00 1.00 H new ATOM 0 HG22 VAL A 62 69.369 18.198 -2.397 1.00 1.00 H new ATOM 0 HG23 VAL A 62 68.875 17.253 -0.972 1.00 1.00 H new ATOM 1033 N TRP A 63 64.992 15.868 -2.876 1.00 1.00 N ATOM 1034 CA TRP A 63 63.898 15.205 -3.607 1.00 1.00 C ATOM 1035 C TRP A 63 62.685 16.096 -3.796 1.00 1.00 C ATOM 1036 O TRP A 63 61.873 15.842 -4.688 1.00 1.00 O ATOM 1037 CB TRP A 63 63.496 13.842 -3.018 1.00 1.00 C ATOM 1038 CG TRP A 63 64.698 12.951 -2.819 1.00 1.00 C ATOM 1039 CD1 TRP A 63 64.970 12.299 -1.659 1.00 1.00 C ATOM 1040 CD2 TRP A 63 65.784 12.581 -3.753 1.00 1.00 C ATOM 1041 NE1 TRP A 63 66.136 11.581 -1.806 1.00 1.00 N ATOM 1042 CE2 TRP A 63 66.674 11.722 -3.063 1.00 1.00 C ATOM 1043 CE3 TRP A 63 66.110 12.899 -5.102 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 67.813 11.206 -3.668 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 67.266 12.387 -5.696 1.00 1.00 C ATOM 1046 CH2 TRP A 63 68.115 11.545 -4.984 1.00 1.00 C ATOM 0 H TRP A 63 65.293 15.394 -2.024 1.00 1.00 H new ATOM 0 HA TRP A 63 64.315 15.007 -4.594 1.00 1.00 H new ATOM 0 HB2 TRP A 63 62.990 13.991 -2.064 1.00 1.00 H new ATOM 0 HB3 TRP A 63 62.785 13.352 -3.683 1.00 1.00 H new ATOM 0 HD1 TRP A 63 64.368 12.337 -0.763 1.00 1.00 H new ATOM 0 HE1 TRP A 63 66.551 11.012 -1.069 1.00 1.00 H new ATOM 0 HE3 TRP A 63 65.457 13.543 -5.672 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 68.464 10.542 -3.118 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 67.503 12.647 -6.717 1.00 1.00 H new ATOM 0 HH2 TRP A 63 69.007 11.155 -5.452 1.00 1.00 H new ATOM 1057 N GLN A 64 62.627 17.213 -3.041 1.00 1.00 N ATOM 1058 CA GLN A 64 61.542 18.226 -3.253 1.00 1.00 C ATOM 1059 C GLN A 64 61.972 19.215 -4.348 1.00 1.00 C ATOM 1060 O GLN A 64 61.132 19.806 -5.027 1.00 1.00 O ATOM 1061 CB GLN A 64 61.087 18.915 -1.968 1.00 1.00 C ATOM 1062 CG GLN A 64 60.542 17.873 -0.992 1.00 1.00 C ATOM 1063 CD GLN A 64 60.264 18.526 0.357 1.00 1.00 C ATOM 1064 OE1 GLN A 64 60.222 19.752 0.454 1.00 1.00 O ATOM 1065 NE2 GLN A 64 60.073 17.778 1.409 1.00 1.00 N ATOM 0 H GLN A 64 63.289 17.443 -2.300 1.00 1.00 H new ATOM 0 HA GLN A 64 60.652 17.697 -3.594 1.00 1.00 H new ATOM 0 HB2 GLN A 64 61.922 19.450 -1.515 1.00 1.00 H new ATOM 0 HB3 GLN A 64 60.318 19.655 -2.193 1.00 1.00 H new ATOM 0 HG2 GLN A 64 59.627 17.433 -1.389 1.00 1.00 H new ATOM 0 HG3 GLN A 64 61.260 17.062 -0.873 1.00 1.00 H new ATOM 0 HE21 GLN A 64 60.108 16.762 1.326 1.00 1.00 H new ATOM 0 HE22 GLN A 64 59.888 18.209 2.315 1.00 1.00 H new ATOM 1074 N HIS A 65 63.296 19.399 -4.501 1.00 1.00 N ATOM 1075 CA HIS A 65 63.867 20.325 -5.499 1.00 1.00 C ATOM 1076 C HIS A 65 64.458 19.590 -6.695 1.00 1.00 C ATOM 1077 O HIS A 65 64.007 19.772 -7.826 1.00 1.00 O ATOM 1078 CB HIS A 65 64.974 21.150 -4.832 1.00 1.00 C ATOM 1079 CG HIS A 65 64.382 21.976 -3.726 1.00 1.00 C ATOM 1080 ND1 HIS A 65 64.736 21.794 -2.398 1.00 1.00 N ATOM 1081 CD2 HIS A 65 63.458 22.991 -3.732 1.00 1.00 C ATOM 1082 CE1 HIS A 65 64.035 22.678 -1.667 1.00 1.00 C ATOM 1083 NE2 HIS A 65 63.240 23.433 -2.430 1.00 1.00 N ATOM 0 H HIS A 65 63.997 18.914 -3.941 1.00 1.00 H new ATOM 0 HA HIS A 65 63.061 20.962 -5.862 1.00 1.00 H new ATOM 0 HB2 HIS A 65 65.746 20.490 -4.435 1.00 1.00 H new ATOM 0 HB3 HIS A 65 65.454 21.796 -5.567 1.00 1.00 H new ATOM 0 HD1 HIS A 65 65.406 21.113 -2.041 1.00 1.00 H new ATOM 0 HD2 HIS A 65 62.974 23.387 -4.613 1.00 1.00 H new ATOM 0 HE1 HIS A 65 64.106 22.767 -0.593 1.00 1.00 H new ATOM 1092 N VAL A 66 65.475 18.773 -6.449 1.00 1.00 N ATOM 1093 CA VAL A 66 66.131 18.037 -7.515 1.00 1.00 C ATOM 1094 C VAL A 66 66.739 19.026 -8.511 1.00 1.00 C ATOM 1095 O VAL A 66 66.557 18.900 -9.722 1.00 1.00 O ATOM 1096 CB VAL A 66 65.136 17.099 -8.231 1.00 1.00 C ATOM 1097 CG1 VAL A 66 65.904 16.041 -9.032 1.00 1.00 C ATOM 1098 CG2 VAL A 66 64.264 16.358 -7.217 1.00 1.00 C ATOM 0 H VAL A 66 65.861 18.606 -5.520 1.00 1.00 H new ATOM 0 HA VAL A 66 66.920 17.421 -7.085 1.00 1.00 H new ATOM 0 HB VAL A 66 64.515 17.712 -8.884 1.00 1.00 H new ATOM 0 HG11 VAL A 66 65.197 15.382 -9.535 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.533 16.532 -9.774 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.528 15.456 -8.357 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.570 15.703 -7.744 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.897 15.763 -6.559 1.00 1.00 H new ATOM 0 HG23 VAL A 66 63.702 17.080 -6.624 1.00 1.00 H new ATOM 1108 N LYS A 67 67.449 20.025 -7.979 1.00 1.00 N ATOM 1109 CA LYS A 67 68.078 21.062 -8.806 1.00 1.00 C ATOM 1110 C LYS A 67 69.333 21.607 -8.129 1.00 1.00 C ATOM 1111 O LYS A 67 70.421 21.583 -8.704 1.00 1.00 O ATOM 1112 CB LYS A 67 67.097 22.221 -9.033 1.00 1.00 C ATOM 1113 CG LYS A 67 65.922 21.757 -9.900 1.00 1.00 C ATOM 1114 CD LYS A 67 65.082 22.970 -10.305 1.00 1.00 C ATOM 1115 CE LYS A 67 63.854 22.510 -11.092 1.00 1.00 C ATOM 1116 NZ LYS A 67 63.090 21.509 -10.294 1.00 1.00 N ATOM 0 H LYS A 67 67.604 20.139 -6.977 1.00 1.00 H new ATOM 0 HA LYS A 67 68.351 20.611 -9.760 1.00 1.00 H new ATOM 0 HB2 LYS A 67 66.729 22.588 -8.075 1.00 1.00 H new ATOM 0 HB3 LYS A 67 67.610 23.052 -9.517 1.00 1.00 H new ATOM 0 HG2 LYS A 67 66.291 21.243 -10.788 1.00 1.00 H new ATOM 0 HG3 LYS A 67 65.309 21.043 -9.350 1.00 1.00 H new ATOM 0 HD2 LYS A 67 64.771 23.521 -9.418 1.00 1.00 H new ATOM 0 HD3 LYS A 67 65.679 23.652 -10.911 1.00 1.00 H new ATOM 0 HE2 LYS A 67 63.219 23.365 -11.325 1.00 1.00 H new ATOM 0 HE3 LYS A 67 64.162 22.073 -12.042 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 62.106 21.475 -10.630 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 63.526 20.571 -10.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 63.104 21.781 -9.290 1.00 1.00 H new ATOM 1130 N HIS A 68 69.169 22.114 -6.915 1.00 1.00 N ATOM 1131 CA HIS A 68 70.290 22.683 -6.172 1.00 1.00 C ATOM 1132 C HIS A 68 71.487 21.733 -6.163 1.00 1.00 C ATOM 1133 O HIS A 68 71.328 20.517 -6.262 1.00 1.00 O ATOM 1134 CB HIS A 68 69.868 22.981 -4.731 1.00 1.00 C ATOM 1135 CG HIS A 68 68.847 24.086 -4.720 1.00 1.00 C ATOM 1136 ND1 HIS A 68 67.486 23.838 -4.810 1.00 1.00 N ATOM 1137 CD2 HIS A 68 68.974 25.449 -4.623 1.00 1.00 C ATOM 1138 CE1 HIS A 68 66.854 25.025 -4.764 1.00 1.00 C ATOM 1139 NE2 HIS A 68 67.715 26.040 -4.650 1.00 1.00 N ATOM 0 H HIS A 68 68.276 22.144 -6.424 1.00 1.00 H new ATOM 0 HA HIS A 68 70.584 23.608 -6.668 1.00 1.00 H new ATOM 0 HB2 HIS A 68 69.453 22.084 -4.271 1.00 1.00 H new ATOM 0 HB3 HIS A 68 70.737 23.270 -4.140 1.00 1.00 H new ATOM 0 HD2 HIS A 68 69.910 25.982 -4.539 1.00 1.00 H new ATOM 0 HE1 HIS A 68 65.782 25.143 -4.813 1.00 1.00 H new ATOM 0 HE2 HIS A 68 67.496 27.035 -4.595 1.00 1.00 H new ATOM 1148 N HIS A 69 72.683 22.309 -6.034 1.00 1.00 N ATOM 1149 CA HIS A 69 73.920 21.532 -6.003 1.00 1.00 C ATOM 1150 C HIS A 69 75.105 22.465 -5.762 1.00 1.00 C ATOM 1151 O HIS A 69 74.925 23.668 -5.570 1.00 1.00 O ATOM 1152 CB HIS A 69 74.118 20.789 -7.327 1.00 1.00 C ATOM 1153 CG HIS A 69 74.075 21.776 -8.462 1.00 1.00 C ATOM 1154 ND1 HIS A 69 72.893 22.366 -8.886 1.00 1.00 N ATOM 1155 CD2 HIS A 69 75.061 22.293 -9.266 1.00 1.00 C ATOM 1156 CE1 HIS A 69 73.196 23.195 -9.902 1.00 1.00 C ATOM 1157 NE2 HIS A 69 74.504 23.188 -10.174 1.00 1.00 N ATOM 0 H HIS A 69 72.820 23.316 -5.949 1.00 1.00 H new ATOM 0 HA HIS A 69 73.855 20.803 -5.195 1.00 1.00 H new ATOM 0 HB2 HIS A 69 75.073 20.263 -7.323 1.00 1.00 H new ATOM 0 HB3 HIS A 69 73.340 20.036 -7.455 1.00 1.00 H new ATOM 0 HD1 HIS A 69 71.964 22.201 -8.498 1.00 1.00 H new ATOM 0 HD2 HIS A 69 76.110 22.043 -9.203 1.00 1.00 H new ATOM 0 HE1 HIS A 69 72.470 23.793 -10.433 1.00 1.00 H new ATOM 1166 N HIS A 70 76.319 21.911 -5.776 1.00 1.00 N ATOM 1167 CA HIS A 70 77.530 22.713 -5.558 1.00 1.00 C ATOM 1168 C HIS A 70 78.750 22.022 -6.160 1.00 1.00 C ATOM 1169 O HIS A 70 78.951 20.822 -5.974 1.00 1.00 O ATOM 1170 CB HIS A 70 77.758 22.921 -4.058 1.00 1.00 C ATOM 1171 CG HIS A 70 76.634 23.736 -3.479 1.00 1.00 C ATOM 1172 ND1 HIS A 70 75.407 23.379 -2.977 1.00 1.00 N flip ATOM 1173 CD2 HIS A 70 76.707 25.116 -3.355 1.00 1.00 C flip ATOM 1174 CE1 HIS A 70 74.728 24.515 -2.546 1.00 1.00 C flip ATOM 1175 NE2 HIS A 70 75.555 25.534 -2.796 1.00 1.00 N flip ATOM 0 H HIS A 70 76.492 20.918 -5.934 1.00 1.00 H new ATOM 0 HA HIS A 70 77.391 23.678 -6.046 1.00 1.00 H new ATOM 0 HB2 HIS A 70 77.818 21.957 -3.553 1.00 1.00 H new ATOM 0 HB3 HIS A 70 78.709 23.427 -3.892 1.00 1.00 H new ATOM 0 HD2 HIS A 70 77.536 25.741 -3.652 1.00 1.00 H new ATOM 0 HE1 HIS A 70 73.744 24.563 -2.104 1.00 1.00 H new ATOM 0 HE2 HIS A 70 75.340 26.509 -2.589 1.00 1.00 H new