USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 917 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD Set 1.1: A 29 THR OG1 : rot 82:sc= 0.283 USER MOD Set 1.2: A 32 CYS SG : rot 180:sc= -1.49 USER MOD Set 1.3: A 34 MET CE :methyl -112:sc= -0.0611 (180deg=-0.95) USER MOD Single : A 1 LEU N :NH3+ -131:sc= -3.73! (180deg=-6.99!) USER MOD Single : A 2 LYS NZ :NH3+ -125:sc= -1.89! (180deg=-4.15!) USER MOD Single : A 3 THR OG1 : rot -46:sc= 0.265 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 134:sc= -1! (180deg=-5.92!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= -3.91! (180deg=-4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= -0.0852 (180deg=-0.527) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0839 K(o=-0.084,f=-0.73) USER MOD Single : A 48 SER OG : rot 180:sc= -0.467 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.355 K(o=-0.35,f=-2.3!) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -0.203 (180deg=-0.523) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= -0.181 (180deg=-0.334) USER MOD Single : A 61 SER OG : rot 87:sc= 0.649 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0796 X(o=-0.08,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -86:sc= 0.734 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -4.07! K(o=-4.1!,f=-0.65) USER MOD Single : A 78 THR OG1 : rot 27:sc= -0.155 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -8.46! C(o=-8.5!,f=-3.2!) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 163:sc= -0.0476 (180deg=-0.551) USER MOD Single : A 98 LYS NZ :NH3+ -149:sc= -0.218 (180deg=-1.43!) USER MOD Single : A 99 LYS NZ :NH3+ -109:sc= -2.52 (180deg=-4.98!) USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= -0.0326 (180deg=-0.268) USER MOD Single : B 1 SER N :NH3+ 171:sc= -0.0854 (180deg=-0.244) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -122:sc= -1.06 USER MOD Single : B 8 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 86.473 11.715 -11.727 1.00 0.00 N ATOM 2 CA LEU A 1 87.891 11.684 -11.270 1.00 0.00 C ATOM 3 C LEU A 1 88.035 12.541 -10.013 1.00 0.00 C ATOM 4 O LEU A 1 88.892 13.397 -9.926 1.00 0.00 O ATOM 5 CB LEU A 1 88.798 12.236 -12.377 1.00 0.00 C ATOM 6 CG LEU A 1 89.006 11.169 -13.457 1.00 0.00 C ATOM 7 CD1 LEU A 1 87.670 10.850 -14.136 1.00 0.00 C ATOM 8 CD2 LEU A 1 89.998 11.694 -14.498 1.00 0.00 C ATOM 0 H1 LEU A 1 86.144 10.744 -11.905 1.00 0.00 H new ATOM 0 H2 LEU A 1 85.881 12.152 -10.992 1.00 0.00 H new ATOM 0 H3 LEU A 1 86.403 12.270 -12.603 1.00 0.00 H new ATOM 0 HA LEU A 1 88.181 10.658 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 1 88.351 13.128 -12.815 1.00 0.00 H new ATOM 0 HB3 LEU A 1 89.759 12.534 -11.958 1.00 0.00 H new ATOM 0 HG LEU A 1 89.399 10.261 -13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 1 87.824 10.091 -14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 1 86.964 10.478 -13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 1 87.270 11.754 -14.595 1.00 0.00 H new ATOM 0 HD21 LEU A 1 90.150 10.939 -15.269 1.00 0.00 H new ATOM 0 HD22 LEU A 1 89.602 12.602 -14.952 1.00 0.00 H new ATOM 0 HD23 LEU A 1 90.950 11.915 -14.015 1.00 0.00 H new ATOM 22 N LYS A 2 87.204 12.313 -9.035 1.00 0.00 N ATOM 23 CA LYS A 2 87.294 13.106 -7.787 1.00 0.00 C ATOM 24 C LYS A 2 88.688 12.928 -7.186 1.00 0.00 C ATOM 25 O LYS A 2 89.055 13.590 -6.235 1.00 0.00 O ATOM 26 CB LYS A 2 86.228 12.620 -6.801 1.00 0.00 C ATOM 27 CG LYS A 2 84.865 13.210 -7.181 1.00 0.00 C ATOM 28 CD LYS A 2 84.572 12.955 -8.662 1.00 0.00 C ATOM 29 CE LYS A 2 83.100 13.255 -8.949 1.00 0.00 C ATOM 30 NZ LYS A 2 82.241 12.386 -8.096 1.00 0.00 N ATOM 0 H LYS A 2 86.466 11.609 -9.050 1.00 0.00 H new ATOM 0 HA LYS A 2 87.125 14.162 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 2 86.179 11.531 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 2 86.494 12.918 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 2 84.083 12.764 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 2 84.856 14.281 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 2 85.210 13.583 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 2 84.799 11.920 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 2 82.886 14.305 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 2 82.881 13.080 -10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 81.579 11.855 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 82.839 11.720 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 81.705 12.976 -7.428 1.00 0.00 H new ATOM 44 N THR A 3 89.471 12.044 -7.742 1.00 0.00 N ATOM 45 CA THR A 3 90.847 11.830 -7.209 1.00 0.00 C ATOM 46 C THR A 3 91.682 11.057 -8.232 1.00 0.00 C ATOM 47 O THR A 3 92.404 10.138 -7.899 1.00 0.00 O ATOM 48 CB THR A 3 90.779 11.049 -5.892 1.00 0.00 C ATOM 49 OG1 THR A 3 89.708 11.546 -5.103 1.00 0.00 O ATOM 50 CG2 THR A 3 92.094 11.210 -5.125 1.00 0.00 C ATOM 0 H THR A 3 89.218 11.462 -8.541 1.00 0.00 H new ATOM 0 HA THR A 3 91.315 12.797 -7.024 1.00 0.00 H new ATOM 0 HB THR A 3 90.616 9.993 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 3 89.737 12.526 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 3 92.040 10.653 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 3 92.917 10.827 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 3 92.263 12.265 -4.910 1.00 0.00 H new ATOM 58 N TYR A 4 91.600 11.440 -9.473 1.00 0.00 N ATOM 59 CA TYR A 4 92.396 10.758 -10.531 1.00 0.00 C ATOM 60 C TYR A 4 92.069 9.259 -10.578 1.00 0.00 C ATOM 61 O TYR A 4 92.730 8.452 -9.958 1.00 0.00 O ATOM 62 CB TYR A 4 93.886 10.955 -10.234 1.00 0.00 C ATOM 63 CG TYR A 4 94.694 10.757 -11.498 1.00 0.00 C ATOM 64 CD1 TYR A 4 94.913 9.468 -11.997 1.00 0.00 C ATOM 65 CD2 TYR A 4 95.221 11.864 -12.167 1.00 0.00 C ATOM 66 CE1 TYR A 4 95.661 9.288 -13.166 1.00 0.00 C ATOM 67 CE2 TYR A 4 95.969 11.686 -13.337 1.00 0.00 C ATOM 68 CZ TYR A 4 96.190 10.398 -13.836 1.00 0.00 C ATOM 69 OH TYR A 4 96.928 10.221 -14.989 1.00 0.00 O ATOM 0 H TYR A 4 91.010 12.204 -9.804 1.00 0.00 H new ATOM 0 HA TYR A 4 92.146 11.191 -11.500 1.00 0.00 H new ATOM 0 HB2 TYR A 4 94.057 11.955 -9.836 1.00 0.00 H new ATOM 0 HB3 TYR A 4 94.210 10.248 -9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 4 94.505 8.612 -11.480 1.00 0.00 H new ATOM 0 HD2 TYR A 4 95.051 12.858 -11.781 1.00 0.00 H new ATOM 0 HE1 TYR A 4 95.830 8.293 -13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 4 96.375 12.543 -13.854 1.00 0.00 H new ATOM 0 HH TYR A 4 97.220 11.093 -15.328 1.00 0.00 H new ATOM 79 N GLY A 5 91.071 8.891 -11.335 1.00 0.00 N ATOM 80 CA GLY A 5 90.696 7.448 -11.470 1.00 0.00 C ATOM 81 C GLY A 5 90.604 6.760 -10.104 1.00 0.00 C ATOM 82 O GLY A 5 91.599 6.484 -9.464 1.00 0.00 O ATOM 0 H GLY A 5 90.491 9.534 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 5 89.738 7.367 -11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 5 91.434 6.936 -12.087 1.00 0.00 H new ATOM 86 N VAL A 6 89.407 6.454 -9.671 1.00 0.00 N ATOM 87 CA VAL A 6 89.213 5.753 -8.360 1.00 0.00 C ATOM 88 C VAL A 6 88.324 4.528 -8.584 1.00 0.00 C ATOM 89 O VAL A 6 87.297 4.610 -9.228 1.00 0.00 O ATOM 90 CB VAL A 6 88.530 6.697 -7.370 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.567 6.080 -5.972 1.00 0.00 C ATOM 92 CG2 VAL A 6 89.265 8.037 -7.352 1.00 0.00 C ATOM 0 H VAL A 6 88.544 6.662 -10.174 1.00 0.00 H new ATOM 0 HA VAL A 6 90.179 5.447 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 6 87.495 6.854 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.080 6.752 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.044 5.124 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.603 5.924 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 6 88.778 8.710 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 6 90.300 7.880 -7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 6 89.242 8.478 -8.349 1.00 0.00 H new ATOM 102 N SER A 7 88.704 3.390 -8.064 1.00 0.00 N ATOM 103 CA SER A 7 87.865 2.175 -8.264 1.00 0.00 C ATOM 104 C SER A 7 86.696 2.197 -7.284 1.00 0.00 C ATOM 105 O SER A 7 86.823 1.833 -6.134 1.00 0.00 O ATOM 106 CB SER A 7 88.706 0.926 -8.025 1.00 0.00 C ATOM 107 OG SER A 7 89.979 1.091 -8.637 1.00 0.00 O ATOM 0 H SER A 7 89.552 3.251 -7.514 1.00 0.00 H new ATOM 0 HA SER A 7 87.484 2.163 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.824 0.752 -6.955 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.203 0.051 -8.436 1.00 0.00 H new ATOM 0 HG SER A 7 90.522 0.290 -8.483 1.00 0.00 H new ATOM 113 N PHE A 8 85.557 2.617 -7.748 1.00 0.00 N ATOM 114 CA PHE A 8 84.342 2.681 -6.878 1.00 0.00 C ATOM 115 C PHE A 8 83.556 1.368 -7.020 1.00 0.00 C ATOM 116 O PHE A 8 83.131 1.005 -8.099 1.00 0.00 O ATOM 117 CB PHE A 8 83.464 3.884 -7.314 1.00 0.00 C ATOM 118 CG PHE A 8 83.874 4.365 -8.691 1.00 0.00 C ATOM 119 CD1 PHE A 8 83.451 3.670 -9.831 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.677 5.505 -8.825 1.00 0.00 C ATOM 121 CE1 PHE A 8 83.829 4.116 -11.103 1.00 0.00 C ATOM 122 CE2 PHE A 8 85.055 5.950 -10.097 1.00 0.00 C ATOM 123 CZ PHE A 8 84.632 5.255 -11.236 1.00 0.00 C ATOM 0 H PHE A 8 85.408 2.925 -8.709 1.00 0.00 H new ATOM 0 HA PHE A 8 84.631 2.814 -5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.414 3.592 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.564 4.696 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 8 82.833 2.790 -9.729 1.00 0.00 H new ATOM 0 HD2 PHE A 8 85.005 6.041 -7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 8 83.501 3.581 -11.982 1.00 0.00 H new ATOM 0 HE2 PHE A 8 85.673 6.830 -10.200 1.00 0.00 H new ATOM 0 HZ PHE A 8 84.925 5.597 -12.217 1.00 0.00 H new ATOM 133 N PHE A 9 83.351 0.661 -5.936 1.00 0.00 N ATOM 134 CA PHE A 9 82.582 -0.625 -5.995 1.00 0.00 C ATOM 135 C PHE A 9 81.164 -0.365 -5.479 1.00 0.00 C ATOM 136 O PHE A 9 80.971 0.275 -4.464 1.00 0.00 O ATOM 137 CB PHE A 9 83.270 -1.677 -5.104 1.00 0.00 C ATOM 138 CG PHE A 9 84.381 -2.366 -5.871 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.566 -1.679 -6.155 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.223 -3.694 -6.295 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.593 -2.316 -6.862 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.251 -4.330 -7.002 1.00 0.00 C ATOM 143 CZ PHE A 9 86.436 -3.642 -7.285 1.00 0.00 C ATOM 0 H PHE A 9 83.684 0.919 -5.007 1.00 0.00 H new ATOM 0 HA PHE A 9 82.546 -0.995 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.676 -1.200 -4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.540 -2.413 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.689 -0.657 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.309 -4.226 -6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.507 -1.784 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 9 85.129 -5.352 -7.329 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.229 -4.133 -7.829 1.00 0.00 H new ATOM 153 N LEU A 10 80.168 -0.848 -6.171 1.00 0.00 N ATOM 154 CA LEU A 10 78.769 -0.613 -5.716 1.00 0.00 C ATOM 155 C LEU A 10 78.425 -1.556 -4.571 1.00 0.00 C ATOM 156 O LEU A 10 78.154 -2.724 -4.767 1.00 0.00 O ATOM 157 CB LEU A 10 77.792 -0.842 -6.879 1.00 0.00 C ATOM 158 CG LEU A 10 76.311 -0.698 -6.391 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.551 0.288 -7.285 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.592 -2.055 -6.446 1.00 0.00 C ATOM 0 H LEU A 10 80.262 -1.393 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 10 78.683 0.417 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.990 -0.123 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.947 -1.835 -7.301 1.00 0.00 H new ATOM 0 HG LEU A 10 76.331 -0.332 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.523 0.379 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.036 1.264 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.553 -0.076 -8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.564 -1.936 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.592 -2.426 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.109 -2.767 -5.803 1.00 0.00 H new ATOM 172 N VAL A 11 78.404 -1.034 -3.375 1.00 0.00 N ATOM 173 CA VAL A 11 78.039 -1.850 -2.184 1.00 0.00 C ATOM 174 C VAL A 11 76.711 -1.310 -1.674 1.00 0.00 C ATOM 175 O VAL A 11 76.399 -0.153 -1.875 1.00 0.00 O ATOM 176 CB VAL A 11 79.115 -1.707 -1.103 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.485 -2.060 -1.694 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.138 -0.266 -0.578 1.00 0.00 C ATOM 0 H VAL A 11 78.628 -0.060 -3.171 1.00 0.00 H new ATOM 0 HA VAL A 11 77.960 -2.907 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 11 78.888 -2.384 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.250 -1.958 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.471 -3.087 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.709 -1.386 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.905 -0.171 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.360 0.417 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.166 -0.018 -0.152 1.00 0.00 H new ATOM 188 N LYS A 12 75.916 -2.123 -1.032 1.00 0.00 N ATOM 189 CA LYS A 12 74.594 -1.637 -0.528 1.00 0.00 C ATOM 190 C LYS A 12 74.652 -1.520 0.991 1.00 0.00 C ATOM 191 O LYS A 12 75.429 -2.180 1.653 1.00 0.00 O ATOM 192 CB LYS A 12 73.487 -2.628 -0.957 1.00 0.00 C ATOM 193 CG LYS A 12 72.724 -2.072 -2.167 1.00 0.00 C ATOM 194 CD LYS A 12 71.879 -3.182 -2.789 1.00 0.00 C ATOM 195 CE LYS A 12 71.188 -2.659 -4.045 1.00 0.00 C ATOM 196 NZ LYS A 12 70.684 -3.807 -4.851 1.00 0.00 N ATOM 0 H LYS A 12 76.122 -3.102 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 12 74.367 -0.657 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.928 -3.593 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.798 -2.797 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.086 -1.244 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.425 -1.678 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.509 -4.036 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 12 71.136 -3.532 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.362 -2.003 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.885 -2.065 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.213 -3.450 -5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 71.481 -4.417 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 70.005 -4.356 -4.286 1.00 0.00 H new ATOM 210 N GLU A 13 73.827 -0.672 1.538 1.00 0.00 N ATOM 211 CA GLU A 13 73.798 -0.472 3.016 1.00 0.00 C ATOM 212 C GLU A 13 72.350 -0.543 3.487 1.00 0.00 C ATOM 213 O GLU A 13 71.431 -0.388 2.710 1.00 0.00 O ATOM 214 CB GLU A 13 74.373 0.902 3.354 1.00 0.00 C ATOM 215 CG GLU A 13 75.795 1.011 2.802 1.00 0.00 C ATOM 216 CD GLU A 13 76.443 2.302 3.307 1.00 0.00 C ATOM 217 OE1 GLU A 13 75.748 3.083 3.936 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.623 2.486 3.058 1.00 0.00 O ATOM 0 H GLU A 13 73.162 -0.100 1.017 1.00 0.00 H new ATOM 0 HA GLU A 13 74.391 -1.242 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 73.746 1.685 2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.379 1.050 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.385 0.149 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.775 1.004 1.712 1.00 0.00 H new ATOM 225 N LYS A 14 72.139 -0.775 4.754 1.00 0.00 N ATOM 226 CA LYS A 14 70.745 -0.860 5.291 1.00 0.00 C ATOM 227 C LYS A 14 70.471 0.373 6.151 1.00 0.00 C ATOM 228 O LYS A 14 70.849 0.433 7.304 1.00 0.00 O ATOM 229 CB LYS A 14 70.599 -2.120 6.165 1.00 0.00 C ATOM 230 CG LYS A 14 71.253 -3.340 5.491 1.00 0.00 C ATOM 231 CD LYS A 14 70.411 -3.817 4.295 1.00 0.00 C ATOM 232 CE LYS A 14 69.033 -4.325 4.767 1.00 0.00 C ATOM 233 NZ LYS A 14 68.040 -3.215 4.697 1.00 0.00 N ATOM 0 H LYS A 14 72.875 -0.911 5.447 1.00 0.00 H new ATOM 0 HA LYS A 14 70.039 -0.909 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.060 -1.947 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 14 69.543 -2.322 6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 14 72.257 -3.081 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.357 -4.149 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.280 -2.999 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 14 70.937 -4.613 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.708 -5.157 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.103 -4.700 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.166 -3.559 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.829 -2.877 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.432 -2.434 4.133 1.00 0.00 H new ATOM 247 N MET A 15 69.811 1.354 5.604 1.00 0.00 N ATOM 248 CA MET A 15 69.511 2.576 6.400 1.00 0.00 C ATOM 249 C MET A 15 68.341 2.293 7.348 1.00 0.00 C ATOM 250 O MET A 15 67.503 1.450 7.104 1.00 0.00 O ATOM 251 CB MET A 15 69.170 3.762 5.475 1.00 0.00 C ATOM 252 CG MET A 15 70.440 4.558 5.140 1.00 0.00 C ATOM 253 SD MET A 15 71.038 5.393 6.632 1.00 0.00 S ATOM 254 CE MET A 15 71.887 6.759 5.803 1.00 0.00 C ATOM 0 H MET A 15 69.467 1.363 4.644 1.00 0.00 H new ATOM 0 HA MET A 15 70.394 2.842 6.981 1.00 0.00 H new ATOM 0 HB2 MET A 15 68.709 3.396 4.557 1.00 0.00 H new ATOM 0 HB3 MET A 15 68.442 4.413 5.960 1.00 0.00 H new ATOM 0 HG2 MET A 15 71.209 3.890 4.751 1.00 0.00 H new ATOM 0 HG3 MET A 15 70.229 5.290 4.360 1.00 0.00 H new ATOM 0 HE1 MET A 15 72.339 7.413 6.549 1.00 0.00 H new ATOM 0 HE2 MET A 15 72.664 6.362 5.150 1.00 0.00 H new ATOM 0 HE3 MET A 15 71.170 7.326 5.210 1.00 0.00 H new ATOM 264 N LYS A 16 68.310 2.998 8.433 1.00 0.00 N ATOM 265 CA LYS A 16 67.237 2.822 9.459 1.00 0.00 C ATOM 266 C LYS A 16 65.834 2.986 8.834 1.00 0.00 C ATOM 267 O LYS A 16 65.196 2.022 8.461 1.00 0.00 O ATOM 268 CB LYS A 16 67.436 3.864 10.598 1.00 0.00 C ATOM 269 CG LYS A 16 68.553 4.862 10.241 1.00 0.00 C ATOM 270 CD LYS A 16 68.180 5.696 8.982 1.00 0.00 C ATOM 271 CE LYS A 16 67.542 7.028 9.401 1.00 0.00 C ATOM 272 NZ LYS A 16 66.382 6.763 10.298 1.00 0.00 N ATOM 0 H LYS A 16 69.000 3.712 8.666 1.00 0.00 H new ATOM 0 HA LYS A 16 67.308 1.813 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 16 66.504 4.402 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 16 67.685 3.350 11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 16 68.730 5.530 11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 16 69.483 4.322 10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 16 69.071 5.883 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.488 5.133 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.276 7.650 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 16 67.215 7.580 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 65.898 7.658 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 65.719 6.116 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 66.718 6.330 11.182 1.00 0.00 H new ATOM 286 N GLY A 17 65.354 4.208 8.775 1.00 0.00 N ATOM 287 CA GLY A 17 63.992 4.514 8.234 1.00 0.00 C ATOM 288 C GLY A 17 63.563 3.522 7.157 1.00 0.00 C ATOM 289 O GLY A 17 62.391 3.237 7.013 1.00 0.00 O ATOM 0 H GLY A 17 65.869 5.030 9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 17 63.268 4.499 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 17 63.986 5.522 7.820 1.00 0.00 H new ATOM 293 N LYS A 18 64.489 2.992 6.398 1.00 0.00 N ATOM 294 CA LYS A 18 64.107 2.010 5.322 1.00 0.00 C ATOM 295 C LYS A 18 64.669 0.631 5.649 1.00 0.00 C ATOM 296 O LYS A 18 65.863 0.447 5.767 1.00 0.00 O ATOM 297 CB LYS A 18 64.676 2.470 3.964 1.00 0.00 C ATOM 298 CG LYS A 18 66.005 3.197 4.184 1.00 0.00 C ATOM 299 CD LYS A 18 65.777 4.636 4.738 1.00 0.00 C ATOM 300 CE LYS A 18 66.595 5.656 3.931 1.00 0.00 C ATOM 301 NZ LYS A 18 66.341 7.026 4.459 1.00 0.00 N ATOM 0 H LYS A 18 65.487 3.191 6.471 1.00 0.00 H new ATOM 0 HA LYS A 18 63.019 1.960 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 18 64.824 1.610 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 18 63.966 3.131 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 18 66.621 2.630 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 18 66.554 3.249 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 18 64.718 4.888 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 18 66.065 4.678 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 18 67.657 5.420 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 18 66.322 5.605 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 66.895 7.717 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 65.329 7.249 4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 66.622 7.070 5.459 1.00 0.00 H new ATOM 315 N ASN A 19 63.823 -0.352 5.728 1.00 0.00 N ATOM 316 CA ASN A 19 64.323 -1.724 5.972 1.00 0.00 C ATOM 317 C ASN A 19 64.925 -2.176 4.652 1.00 0.00 C ATOM 318 O ASN A 19 65.414 -3.278 4.499 1.00 0.00 O ATOM 319 CB ASN A 19 63.162 -2.638 6.356 1.00 0.00 C ATOM 320 CG ASN A 19 62.848 -2.480 7.846 1.00 0.00 C ATOM 321 OD1 ASN A 19 63.093 -3.377 8.629 1.00 0.00 O ATOM 322 ND2 ASN A 19 62.314 -1.369 8.275 1.00 0.00 N ATOM 0 H ASN A 19 62.811 -0.264 5.634 1.00 0.00 H new ATOM 0 HA ASN A 19 65.051 -1.756 6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 19 62.282 -2.392 5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 19 63.416 -3.675 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 19 62.103 -1.254 9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 19 62.108 -0.616 7.619 1.00 0.00 H new ATOM 329 N LYS A 20 64.864 -1.296 3.694 1.00 0.00 N ATOM 330 CA LYS A 20 65.394 -1.584 2.341 1.00 0.00 C ATOM 331 C LYS A 20 66.916 -1.446 2.347 1.00 0.00 C ATOM 332 O LYS A 20 67.536 -1.247 3.372 1.00 0.00 O ATOM 333 CB LYS A 20 64.768 -0.580 1.344 1.00 0.00 C ATOM 334 CG LYS A 20 64.149 -1.315 0.146 1.00 0.00 C ATOM 335 CD LYS A 20 62.800 -1.945 0.548 1.00 0.00 C ATOM 336 CE LYS A 20 61.662 -0.935 0.352 1.00 0.00 C ATOM 337 NZ LYS A 20 61.441 -0.712 -1.105 1.00 0.00 N ATOM 0 H LYS A 20 64.458 -0.366 3.799 1.00 0.00 H new ATOM 0 HA LYS A 20 65.140 -2.601 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 20 64.004 0.011 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 20 65.531 0.116 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 20 64.002 -0.620 -0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 20 64.830 -2.090 -0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 20 62.613 -2.835 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 20 62.836 -2.265 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 20 60.748 -1.306 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 20 61.909 0.007 0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 60.458 -0.413 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 62.088 0.028 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 61.623 -1.595 -1.623 1.00 0.00 H new ATOM 351 N LEU A 21 67.508 -1.544 1.191 1.00 0.00 N ATOM 352 CA LEU A 21 68.993 -1.414 1.067 1.00 0.00 C ATOM 353 C LEU A 21 69.300 -0.055 0.443 1.00 0.00 C ATOM 354 O LEU A 21 68.468 0.526 -0.227 1.00 0.00 O ATOM 355 CB LEU A 21 69.558 -2.543 0.167 1.00 0.00 C ATOM 356 CG LEU A 21 68.653 -3.786 0.222 1.00 0.00 C ATOM 357 CD1 LEU A 21 69.191 -4.851 -0.734 1.00 0.00 C ATOM 358 CD2 LEU A 21 68.634 -4.361 1.640 1.00 0.00 C ATOM 0 H LEU A 21 67.021 -1.711 0.310 1.00 0.00 H new ATOM 0 HA LEU A 21 69.456 -1.495 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.637 -2.190 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.565 -2.805 0.493 1.00 0.00 H new ATOM 0 HG LEU A 21 67.642 -3.498 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.550 -5.732 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 21 69.203 -4.455 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.204 -5.126 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 21 67.990 -5.240 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 21 69.646 -4.642 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 21 68.252 -3.610 2.332 1.00 0.00 H new ATOM 370 N VAL A 22 70.485 0.455 0.654 1.00 0.00 N ATOM 371 CA VAL A 22 70.855 1.784 0.069 1.00 0.00 C ATOM 372 C VAL A 22 72.176 1.637 -0.723 1.00 0.00 C ATOM 373 O VAL A 22 73.202 1.390 -0.120 1.00 0.00 O ATOM 374 CB VAL A 22 71.067 2.772 1.221 1.00 0.00 C ATOM 375 CG1 VAL A 22 71.684 4.068 0.689 1.00 0.00 C ATOM 376 CG2 VAL A 22 69.719 3.083 1.875 1.00 0.00 C ATOM 0 H VAL A 22 71.217 0.009 1.208 1.00 0.00 H new ATOM 0 HA VAL A 22 70.068 2.140 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 22 71.740 2.329 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 22 71.832 4.766 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 22 72.644 3.849 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.016 4.513 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 22 69.866 3.786 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.049 3.523 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.280 2.162 2.260 1.00 0.00 H new ATOM 386 N PRO A 23 72.149 1.805 -2.041 1.00 0.00 N ATOM 387 CA PRO A 23 73.384 1.697 -2.845 1.00 0.00 C ATOM 388 C PRO A 23 74.453 2.682 -2.353 1.00 0.00 C ATOM 389 O PRO A 23 74.161 3.764 -1.883 1.00 0.00 O ATOM 390 CB PRO A 23 72.942 2.043 -4.284 1.00 0.00 C ATOM 391 CG PRO A 23 71.397 1.985 -4.308 1.00 0.00 C ATOM 392 CD PRO A 23 70.927 2.071 -2.841 1.00 0.00 C ATOM 0 HA PRO A 23 73.833 0.706 -2.774 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.295 3.034 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.366 1.337 -4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.988 2.808 -4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 23 71.052 1.061 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.511 3.053 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.148 1.338 -2.631 1.00 0.00 H new ATOM 400 N ARG A 24 75.692 2.299 -2.476 1.00 0.00 N ATOM 401 CA ARG A 24 76.815 3.175 -2.044 1.00 0.00 C ATOM 402 C ARG A 24 78.044 2.802 -2.873 1.00 0.00 C ATOM 403 O ARG A 24 78.223 1.655 -3.232 1.00 0.00 O ATOM 404 CB ARG A 24 77.101 2.946 -0.554 1.00 0.00 C ATOM 405 CG ARG A 24 78.004 4.067 -0.001 1.00 0.00 C ATOM 406 CD ARG A 24 77.147 5.245 0.472 1.00 0.00 C ATOM 407 NE ARG A 24 76.470 4.884 1.750 1.00 0.00 N ATOM 408 CZ ARG A 24 75.945 5.815 2.498 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.025 7.066 2.137 1.00 0.00 N ATOM 410 NH2 ARG A 24 75.341 5.494 3.609 1.00 0.00 N ATOM 0 H ARG A 24 75.979 1.400 -2.864 1.00 0.00 H new ATOM 0 HA ARG A 24 76.563 4.225 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.164 2.917 0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.584 1.979 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.603 3.687 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.699 4.399 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.770 6.128 0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.406 5.497 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 24 76.417 3.908 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 24 76.498 7.317 1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 24 75.614 7.793 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.280 4.516 3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.930 6.221 4.195 1.00 0.00 H new ATOM 424 N LEU A 25 78.893 3.746 -3.181 1.00 0.00 N ATOM 425 CA LEU A 25 80.112 3.431 -3.985 1.00 0.00 C ATOM 426 C LEU A 25 81.315 3.402 -3.036 1.00 0.00 C ATOM 427 O LEU A 25 81.408 4.196 -2.122 1.00 0.00 O ATOM 428 CB LEU A 25 80.292 4.511 -5.055 1.00 0.00 C ATOM 429 CG LEU A 25 79.226 4.355 -6.150 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.306 5.562 -7.094 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.432 3.041 -6.943 1.00 0.00 C ATOM 0 H LEU A 25 78.795 4.725 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 25 80.019 2.464 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.216 5.499 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.287 4.437 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 25 78.241 4.311 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.553 5.463 -7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.125 6.477 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.297 5.605 -7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.664 2.956 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.416 3.050 -7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.362 2.191 -6.264 1.00 0.00 H new ATOM 443 N LEU A 26 82.220 2.472 -3.229 1.00 0.00 N ATOM 444 CA LEU A 26 83.411 2.352 -2.323 1.00 0.00 C ATOM 445 C LEU A 26 84.702 2.520 -3.131 1.00 0.00 C ATOM 446 O LEU A 26 85.094 1.660 -3.894 1.00 0.00 O ATOM 447 CB LEU A 26 83.375 0.964 -1.670 1.00 0.00 C ATOM 448 CG LEU A 26 84.689 0.670 -0.940 1.00 0.00 C ATOM 449 CD1 LEU A 26 85.063 1.846 -0.032 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.516 -0.593 -0.092 1.00 0.00 C ATOM 0 H LEU A 26 82.186 1.784 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 26 83.383 3.128 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.544 0.910 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.199 0.204 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 26 85.483 0.523 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.999 1.626 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 26 85.183 2.747 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 26 84.274 2.003 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.447 -0.810 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.719 -0.437 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.259 -1.432 -0.738 1.00 0.00 H new ATOM 462 N GLY A 27 85.357 3.634 -2.956 1.00 0.00 N ATOM 463 CA GLY A 27 86.620 3.917 -3.694 1.00 0.00 C ATOM 464 C GLY A 27 87.806 3.174 -3.075 1.00 0.00 C ATOM 465 O GLY A 27 88.091 3.305 -1.901 1.00 0.00 O ATOM 0 H GLY A 27 85.064 4.375 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.508 3.622 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.816 4.989 -3.686 1.00 0.00 H new ATOM 469 N ILE A 28 88.520 2.420 -3.879 1.00 0.00 N ATOM 470 CA ILE A 28 89.726 1.681 -3.382 1.00 0.00 C ATOM 471 C ILE A 28 90.950 2.234 -4.114 1.00 0.00 C ATOM 472 O ILE A 28 91.102 2.046 -5.305 1.00 0.00 O ATOM 473 CB ILE A 28 89.599 0.184 -3.697 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.276 -0.366 -3.144 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.772 -0.568 -3.066 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.127 -0.014 -1.661 1.00 0.00 C ATOM 0 H ILE A 28 88.316 2.284 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 28 89.818 1.809 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 28 89.612 0.045 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.440 0.047 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.243 -1.448 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.684 -1.631 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.709 -0.188 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.760 -0.421 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.184 -0.411 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.953 -0.449 -1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.137 1.069 -1.541 1.00 0.00 H new ATOM 488 N THR A 29 91.822 2.923 -3.420 1.00 0.00 N ATOM 489 CA THR A 29 93.032 3.499 -4.085 1.00 0.00 C ATOM 490 C THR A 29 94.240 2.597 -3.822 1.00 0.00 C ATOM 491 O THR A 29 94.185 1.683 -3.023 1.00 0.00 O ATOM 492 CB THR A 29 93.295 4.903 -3.516 1.00 0.00 C ATOM 493 OG1 THR A 29 92.053 5.535 -3.242 1.00 0.00 O ATOM 494 CG2 THR A 29 94.080 5.745 -4.527 1.00 0.00 C ATOM 0 H THR A 29 91.748 3.112 -2.420 1.00 0.00 H new ATOM 0 HA THR A 29 92.867 3.566 -5.160 1.00 0.00 H new ATOM 0 HB THR A 29 93.879 4.814 -2.600 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.714 5.228 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.260 6.737 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.034 5.262 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.505 5.836 -5.449 1.00 0.00 H new ATOM 502 N LYS A 30 95.328 2.847 -4.493 1.00 0.00 N ATOM 503 CA LYS A 30 96.541 2.011 -4.293 1.00 0.00 C ATOM 504 C LYS A 30 97.177 2.333 -2.941 1.00 0.00 C ATOM 505 O LYS A 30 97.994 1.586 -2.439 1.00 0.00 O ATOM 506 CB LYS A 30 97.540 2.312 -5.408 1.00 0.00 C ATOM 507 CG LYS A 30 97.574 3.824 -5.651 1.00 0.00 C ATOM 508 CD LYS A 30 98.827 4.192 -6.447 1.00 0.00 C ATOM 509 CE LYS A 30 98.726 3.601 -7.854 1.00 0.00 C ATOM 510 NZ LYS A 30 99.756 4.225 -8.731 1.00 0.00 N ATOM 0 H LYS A 30 95.429 3.599 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 30 96.265 0.957 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.531 1.952 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.254 1.790 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.682 4.134 -6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.568 4.355 -4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 30 98.931 5.276 -6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.716 3.812 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.870 2.521 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.731 3.776 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.687 3.823 -9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.599 5.252 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.702 4.036 -8.343 1.00 0.00 H new ATOM 524 N GLU A 31 96.818 3.445 -2.354 1.00 0.00 N ATOM 525 CA GLU A 31 97.406 3.836 -1.035 1.00 0.00 C ATOM 526 C GLU A 31 96.307 4.316 -0.089 1.00 0.00 C ATOM 527 O GLU A 31 96.585 4.860 0.961 1.00 0.00 O ATOM 528 CB GLU A 31 98.403 4.974 -1.250 1.00 0.00 C ATOM 529 CG GLU A 31 99.573 4.487 -2.106 1.00 0.00 C ATOM 530 CD GLU A 31 100.772 5.423 -1.928 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.559 6.623 -1.880 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.881 4.922 -1.842 1.00 0.00 O ATOM 0 H GLU A 31 96.138 4.104 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 31 97.905 2.971 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.909 5.814 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.770 5.334 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.847 3.472 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.279 4.454 -3.155 1.00 0.00 H new ATOM 539 N CYS A 32 95.064 4.132 -0.437 1.00 0.00 N ATOM 540 CA CYS A 32 93.985 4.601 0.479 1.00 0.00 C ATOM 541 C CYS A 32 92.617 4.086 0.015 1.00 0.00 C ATOM 542 O CYS A 32 92.428 3.698 -1.120 1.00 0.00 O ATOM 543 CB CYS A 32 93.975 6.149 0.507 1.00 0.00 C ATOM 544 SG CYS A 32 94.728 6.795 -1.008 1.00 0.00 S ATOM 0 H CYS A 32 94.751 3.686 -1.299 1.00 0.00 H new ATOM 0 HA CYS A 32 94.179 4.212 1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.952 6.514 0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.522 6.510 1.378 1.00 0.00 H new ATOM 0 HG CYS A 32 94.715 8.095 -0.979 1.00 0.00 H new ATOM 550 N VAL A 33 91.656 4.122 0.904 1.00 0.00 N ATOM 551 CA VAL A 33 90.266 3.687 0.573 1.00 0.00 C ATOM 552 C VAL A 33 89.377 4.910 0.751 1.00 0.00 C ATOM 553 O VAL A 33 89.662 5.757 1.575 1.00 0.00 O ATOM 554 CB VAL A 33 89.829 2.578 1.536 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.325 2.327 1.397 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.593 1.293 1.210 1.00 0.00 C ATOM 0 H VAL A 33 91.780 4.441 1.865 1.00 0.00 H new ATOM 0 HA VAL A 33 90.201 3.297 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 33 90.046 2.885 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 33 88.023 1.537 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.780 3.241 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.100 2.023 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.284 0.502 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.377 0.991 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.663 1.469 1.319 1.00 0.00 H new ATOM 566 N MET A 34 88.325 5.046 -0.019 1.00 0.00 N ATOM 567 CA MET A 34 87.465 6.265 0.122 1.00 0.00 C ATOM 568 C MET A 34 85.991 5.897 0.119 1.00 0.00 C ATOM 569 O MET A 34 85.570 4.960 -0.526 1.00 0.00 O ATOM 570 CB MET A 34 87.762 7.222 -1.048 1.00 0.00 C ATOM 571 CG MET A 34 89.229 7.082 -1.459 1.00 0.00 C ATOM 572 SD MET A 34 89.690 8.454 -2.548 1.00 0.00 S ATOM 573 CE MET A 34 91.478 8.409 -2.251 1.00 0.00 C ATOM 0 H MET A 34 88.027 4.377 -0.729 1.00 0.00 H new ATOM 0 HA MET A 34 87.691 6.748 1.073 1.00 0.00 H new ATOM 0 HB2 MET A 34 87.113 6.993 -1.893 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.552 8.250 -0.754 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.866 7.077 -0.574 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.385 6.132 -1.969 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.780 9.305 -1.709 1.00 0.00 H new ATOM 0 HE2 MET A 34 91.727 7.527 -1.660 1.00 0.00 H new ATOM 0 HE3 MET A 34 92.004 8.367 -3.205 1.00 0.00 H new ATOM 583 N ARG A 35 85.196 6.662 0.817 1.00 0.00 N ATOM 584 CA ARG A 35 83.733 6.384 0.832 1.00 0.00 C ATOM 585 C ARG A 35 83.109 7.232 -0.261 1.00 0.00 C ATOM 586 O ARG A 35 83.365 8.416 -0.358 1.00 0.00 O ATOM 587 CB ARG A 35 83.118 6.784 2.183 1.00 0.00 C ATOM 588 CG ARG A 35 83.355 5.687 3.239 1.00 0.00 C ATOM 589 CD ARG A 35 82.304 5.808 4.346 1.00 0.00 C ATOM 590 NE ARG A 35 82.047 7.248 4.625 1.00 0.00 N ATOM 591 CZ ARG A 35 81.002 7.600 5.322 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.170 6.693 5.752 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.789 8.860 5.585 1.00 0.00 N ATOM 0 H ARG A 35 85.495 7.463 1.374 1.00 0.00 H new ATOM 0 HA ARG A 35 83.552 5.321 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.555 7.723 2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.048 6.955 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.298 4.702 2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.356 5.783 3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.381 5.314 4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.651 5.307 5.250 1.00 0.00 H new ATOM 0 HE ARG A 35 82.688 7.959 4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.336 5.708 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.353 6.968 6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.439 9.569 5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.972 9.136 6.130 1.00 0.00 H new ATOM 607 N VAL A 36 82.307 6.635 -1.098 1.00 0.00 N ATOM 608 CA VAL A 36 81.675 7.395 -2.207 1.00 0.00 C ATOM 609 C VAL A 36 80.186 7.064 -2.244 1.00 0.00 C ATOM 610 O VAL A 36 79.796 5.917 -2.331 1.00 0.00 O ATOM 611 CB VAL A 36 82.338 6.988 -3.526 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.771 7.826 -4.676 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.847 7.220 -3.435 1.00 0.00 C ATOM 0 H VAL A 36 82.062 5.646 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 36 81.802 8.467 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 36 82.137 5.933 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.248 7.531 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.696 7.663 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.966 8.882 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.317 6.930 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.042 8.275 -3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.259 6.621 -2.623 1.00 0.00 H new ATOM 623 N ASP A 37 79.350 8.059 -2.177 1.00 0.00 N ATOM 624 CA ASP A 37 77.891 7.795 -2.211 1.00 0.00 C ATOM 625 C ASP A 37 77.495 7.432 -3.636 1.00 0.00 C ATOM 626 O ASP A 37 78.055 7.927 -4.587 1.00 0.00 O ATOM 627 CB ASP A 37 77.131 9.050 -1.768 1.00 0.00 C ATOM 628 CG ASP A 37 75.693 8.677 -1.401 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.116 7.861 -2.101 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.193 9.214 -0.426 1.00 0.00 O ATOM 0 H ASP A 37 79.615 9.041 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 37 77.645 6.975 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.629 9.506 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.132 9.790 -2.569 1.00 0.00 H new ATOM 635 N GLU A 38 76.526 6.584 -3.791 1.00 0.00 N ATOM 636 CA GLU A 38 76.077 6.197 -5.154 1.00 0.00 C ATOM 637 C GLU A 38 74.994 7.178 -5.556 1.00 0.00 C ATOM 638 O GLU A 38 74.713 7.408 -6.716 1.00 0.00 O ATOM 639 CB GLU A 38 75.514 4.782 -5.086 1.00 0.00 C ATOM 640 CG GLU A 38 75.392 4.180 -6.484 1.00 0.00 C ATOM 641 CD GLU A 38 74.269 4.882 -7.250 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.230 5.116 -6.657 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.469 5.174 -8.418 1.00 0.00 O ATOM 0 H GLU A 38 76.020 6.137 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 38 76.891 6.218 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.162 4.157 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.536 4.797 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.335 4.288 -7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.186 3.112 -6.414 1.00 0.00 H new ATOM 650 N LYS A 39 74.402 7.761 -4.567 1.00 0.00 N ATOM 651 CA LYS A 39 73.332 8.753 -4.781 1.00 0.00 C ATOM 652 C LYS A 39 73.933 10.014 -5.392 1.00 0.00 C ATOM 653 O LYS A 39 73.473 10.515 -6.398 1.00 0.00 O ATOM 654 CB LYS A 39 72.728 9.080 -3.422 1.00 0.00 C ATOM 655 CG LYS A 39 71.583 10.083 -3.579 1.00 0.00 C ATOM 656 CD LYS A 39 71.000 10.403 -2.202 1.00 0.00 C ATOM 657 CE LYS A 39 69.736 11.249 -2.364 1.00 0.00 C ATOM 658 NZ LYS A 39 69.068 11.404 -1.040 1.00 0.00 N ATOM 0 H LYS A 39 74.623 7.585 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 39 72.568 8.363 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.360 8.169 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.494 9.492 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.945 10.995 -4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.810 9.671 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.766 9.480 -1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.734 10.939 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.990 12.227 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.057 10.775 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.209 11.979 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.812 10.467 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.717 11.874 -0.377 1.00 0.00 H new ATOM 672 N THR A 40 74.962 10.532 -4.776 1.00 0.00 N ATOM 673 CA THR A 40 75.615 11.773 -5.292 1.00 0.00 C ATOM 674 C THR A 40 76.909 11.420 -6.029 1.00 0.00 C ATOM 675 O THR A 40 77.571 12.284 -6.568 1.00 0.00 O ATOM 676 CB THR A 40 75.942 12.699 -4.118 1.00 0.00 C ATOM 677 OG1 THR A 40 76.746 12.003 -3.176 1.00 0.00 O ATOM 678 CG2 THR A 40 74.644 13.152 -3.451 1.00 0.00 C ATOM 0 H THR A 40 75.382 10.146 -3.930 1.00 0.00 H new ATOM 0 HA THR A 40 74.934 12.272 -5.982 1.00 0.00 H new ATOM 0 HB THR A 40 76.485 13.571 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 40 76.957 12.596 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 40 74.876 13.812 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.030 13.687 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.099 12.281 -3.086 1.00 0.00 H new ATOM 686 N LYS A 41 77.286 10.165 -6.066 1.00 0.00 N ATOM 687 CA LYS A 41 78.545 9.804 -6.782 1.00 0.00 C ATOM 688 C LYS A 41 79.679 10.715 -6.304 1.00 0.00 C ATOM 689 O LYS A 41 80.642 10.940 -7.009 1.00 0.00 O ATOM 690 CB LYS A 41 78.339 9.993 -8.288 1.00 0.00 C ATOM 691 CG LYS A 41 77.246 9.036 -8.787 1.00 0.00 C ATOM 692 CD LYS A 41 76.637 9.578 -10.083 1.00 0.00 C ATOM 693 CE LYS A 41 77.742 9.797 -11.118 1.00 0.00 C ATOM 694 NZ LYS A 41 77.130 9.995 -12.463 1.00 0.00 N ATOM 0 H LYS A 41 76.784 9.387 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 41 78.802 8.765 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.057 11.024 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.272 9.803 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.667 8.045 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.471 8.926 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 41 75.897 8.877 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.117 10.516 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.341 10.666 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 41 78.414 8.939 -11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 77.881 10.144 -13.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 76.576 9.153 -12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 76.506 10.826 -12.441 1.00 0.00 H new ATOM 708 N GLU A 42 79.566 11.246 -5.109 1.00 0.00 N ATOM 709 CA GLU A 42 80.629 12.158 -4.569 1.00 0.00 C ATOM 710 C GLU A 42 81.463 11.407 -3.522 1.00 0.00 C ATOM 711 O GLU A 42 81.059 10.385 -3.017 1.00 0.00 O ATOM 712 CB GLU A 42 79.949 13.389 -3.922 1.00 0.00 C ATOM 713 CG GLU A 42 80.432 14.685 -4.583 1.00 0.00 C ATOM 714 CD GLU A 42 79.866 14.778 -6.002 1.00 0.00 C ATOM 715 OE1 GLU A 42 80.436 14.162 -6.887 1.00 0.00 O ATOM 716 OE2 GLU A 42 78.873 15.464 -6.179 1.00 0.00 O ATOM 0 H GLU A 42 78.779 11.087 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 42 81.286 12.486 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.867 13.306 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.171 13.414 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.112 15.546 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.521 14.706 -4.613 1.00 0.00 H new ATOM 723 N VAL A 43 82.616 11.926 -3.190 1.00 0.00 N ATOM 724 CA VAL A 43 83.485 11.263 -2.169 1.00 0.00 C ATOM 725 C VAL A 43 83.045 11.710 -0.773 1.00 0.00 C ATOM 726 O VAL A 43 82.923 12.888 -0.502 1.00 0.00 O ATOM 727 CB VAL A 43 84.949 11.662 -2.411 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.812 11.253 -1.211 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.468 10.960 -3.670 1.00 0.00 C ATOM 0 H VAL A 43 82.997 12.786 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 43 83.393 10.180 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 43 85.005 12.743 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.848 11.540 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.449 11.754 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.754 10.173 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.507 11.243 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.403 9.880 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.864 11.257 -4.527 1.00 0.00 H new ATOM 739 N ILE A 44 82.797 10.774 0.112 1.00 0.00 N ATOM 740 CA ILE A 44 82.352 11.131 1.493 1.00 0.00 C ATOM 741 C ILE A 44 83.506 10.953 2.487 1.00 0.00 C ATOM 742 O ILE A 44 83.545 11.600 3.515 1.00 0.00 O ATOM 743 CB ILE A 44 81.189 10.225 1.898 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.150 10.183 0.769 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.543 10.769 3.172 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.749 11.605 0.362 1.00 0.00 C ATOM 0 H ILE A 44 82.885 9.773 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 44 82.033 12.173 1.505 1.00 0.00 H new ATOM 0 HB ILE A 44 81.560 9.217 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.559 9.653 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.270 9.629 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.713 10.125 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.282 10.793 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.172 11.778 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.012 11.560 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.320 12.122 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.629 12.146 0.015 1.00 0.00 H new ATOM 758 N GLN A 45 84.443 10.081 2.207 1.00 0.00 N ATOM 759 CA GLN A 45 85.576 9.883 3.170 1.00 0.00 C ATOM 760 C GLN A 45 86.834 9.375 2.447 1.00 0.00 C ATOM 761 O GLN A 45 86.791 8.924 1.324 1.00 0.00 O ATOM 762 CB GLN A 45 85.158 8.867 4.250 1.00 0.00 C ATOM 763 CG GLN A 45 85.909 9.133 5.563 1.00 0.00 C ATOM 764 CD GLN A 45 85.251 10.293 6.312 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.042 10.363 6.409 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.003 11.213 6.848 1.00 0.00 N ATOM 0 H GLN A 45 84.475 9.504 1.366 1.00 0.00 H new ATOM 0 HA GLN A 45 85.809 10.843 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.083 8.931 4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 45 85.366 7.854 3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 45 85.903 8.237 6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.953 9.369 5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.018 11.154 6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.576 11.992 7.349 1.00 0.00 H new ATOM 775 N GLU A 46 87.946 9.449 3.126 1.00 0.00 N ATOM 776 CA GLU A 46 89.258 8.985 2.578 1.00 0.00 C ATOM 777 C GLU A 46 90.020 8.281 3.712 1.00 0.00 C ATOM 778 O GLU A 46 90.039 8.750 4.833 1.00 0.00 O ATOM 779 CB GLU A 46 90.066 10.198 2.076 1.00 0.00 C ATOM 780 CG GLU A 46 89.759 10.458 0.597 1.00 0.00 C ATOM 781 CD GLU A 46 90.632 11.606 0.090 1.00 0.00 C ATOM 782 OE1 GLU A 46 91.760 11.712 0.544 1.00 0.00 O ATOM 783 OE2 GLU A 46 90.160 12.360 -0.745 1.00 0.00 O ATOM 0 H GLU A 46 88.003 9.825 4.072 1.00 0.00 H new ATOM 0 HA GLU A 46 89.105 8.300 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.819 11.080 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.132 10.014 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.947 9.558 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.705 10.705 0.471 1.00 0.00 H new ATOM 790 N TRP A 47 90.640 7.158 3.437 1.00 0.00 N ATOM 791 CA TRP A 47 91.393 6.426 4.507 1.00 0.00 C ATOM 792 C TRP A 47 92.699 5.876 3.938 1.00 0.00 C ATOM 793 O TRP A 47 92.814 5.617 2.761 1.00 0.00 O ATOM 794 CB TRP A 47 90.548 5.256 5.040 1.00 0.00 C ATOM 795 CG TRP A 47 89.521 5.739 6.025 1.00 0.00 C ATOM 796 CD1 TRP A 47 89.759 6.553 7.088 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.096 5.429 6.068 1.00 0.00 C ATOM 798 NE1 TRP A 47 88.570 6.767 7.760 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.521 6.096 7.174 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.254 4.644 5.259 1.00 0.00 C ATOM 801 CZ2 TRP A 47 86.166 5.991 7.470 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.885 4.534 5.556 1.00 0.00 C ATOM 803 CH2 TRP A 47 85.343 5.207 6.661 1.00 0.00 C ATOM 0 H TRP A 47 90.658 6.716 2.518 1.00 0.00 H new ATOM 0 HA TRP A 47 91.608 7.120 5.319 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.052 4.753 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 47 91.197 4.521 5.517 1.00 0.00 H new ATOM 0 HD1 TRP A 47 90.719 6.965 7.362 1.00 0.00 H new ATOM 0 HE1 TRP A 47 88.481 7.352 8.591 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.662 4.123 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.754 6.513 8.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.247 3.928 4.930 1.00 0.00 H new ATOM 0 HH2 TRP A 47 84.290 5.118 6.885 1.00 0.00 H new ATOM 814 N SER A 48 93.679 5.682 4.779 1.00 0.00 N ATOM 815 CA SER A 48 94.983 5.133 4.308 1.00 0.00 C ATOM 816 C SER A 48 94.918 3.604 4.313 1.00 0.00 C ATOM 817 O SER A 48 94.278 3.004 5.154 1.00 0.00 O ATOM 818 CB SER A 48 96.100 5.601 5.244 1.00 0.00 C ATOM 819 OG SER A 48 95.658 5.492 6.590 1.00 0.00 O ATOM 0 H SER A 48 93.632 5.882 5.778 1.00 0.00 H new ATOM 0 HA SER A 48 95.186 5.486 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 48 96.995 4.997 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.370 6.633 5.020 1.00 0.00 H new ATOM 0 HG SER A 48 96.371 5.789 7.193 1.00 0.00 H new ATOM 825 N LEU A 49 95.572 2.966 3.381 1.00 0.00 N ATOM 826 CA LEU A 49 95.543 1.479 3.338 1.00 0.00 C ATOM 827 C LEU A 49 96.249 0.934 4.585 1.00 0.00 C ATOM 828 O LEU A 49 95.910 -0.116 5.094 1.00 0.00 O ATOM 829 CB LEU A 49 96.259 0.994 2.054 1.00 0.00 C ATOM 830 CG LEU A 49 95.226 0.617 0.974 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.875 0.672 -0.414 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.699 -0.801 1.234 1.00 0.00 C ATOM 0 H LEU A 49 96.125 3.411 2.648 1.00 0.00 H new ATOM 0 HA LEU A 49 94.515 1.118 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.918 1.777 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.886 0.133 2.283 1.00 0.00 H new ATOM 0 HG LEU A 49 94.399 1.326 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.138 0.404 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 49 96.241 1.681 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.708 -0.030 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 49 93.969 -1.064 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.528 -1.508 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.226 -0.839 2.215 1.00 0.00 H new ATOM 844 N THR A 50 97.225 1.642 5.079 1.00 0.00 N ATOM 845 CA THR A 50 97.947 1.168 6.289 1.00 0.00 C ATOM 846 C THR A 50 97.012 1.247 7.495 1.00 0.00 C ATOM 847 O THR A 50 97.354 0.839 8.588 1.00 0.00 O ATOM 848 CB THR A 50 99.171 2.051 6.533 1.00 0.00 C ATOM 849 OG1 THR A 50 98.745 3.357 6.896 1.00 0.00 O ATOM 850 CG2 THR A 50 100.014 2.122 5.258 1.00 0.00 C ATOM 0 H THR A 50 97.553 2.529 4.696 1.00 0.00 H new ATOM 0 HA THR A 50 98.270 0.137 6.142 1.00 0.00 H new ATOM 0 HB THR A 50 99.771 1.627 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.528 3.924 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.886 2.752 5.433 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.340 1.119 4.981 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.417 2.545 4.450 1.00 0.00 H new ATOM 858 N ASN A 51 95.833 1.772 7.303 1.00 0.00 N ATOM 859 CA ASN A 51 94.866 1.885 8.436 1.00 0.00 C ATOM 860 C ASN A 51 94.044 0.599 8.540 1.00 0.00 C ATOM 861 O ASN A 51 93.641 0.194 9.612 1.00 0.00 O ATOM 862 CB ASN A 51 93.925 3.066 8.185 1.00 0.00 C ATOM 863 CG ASN A 51 93.133 3.369 9.459 1.00 0.00 C ATOM 864 OD1 ASN A 51 93.295 2.701 10.461 1.00 0.00 O ATOM 865 ND2 ASN A 51 92.278 4.355 9.463 1.00 0.00 N ATOM 0 H ASN A 51 95.495 2.129 6.409 1.00 0.00 H new ATOM 0 HA ASN A 51 95.415 2.042 9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.498 3.943 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.243 2.834 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 51 91.746 4.565 10.307 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.142 4.916 8.622 1.00 0.00 H new ATOM 872 N ILE A 52 93.788 -0.042 7.434 1.00 0.00 N ATOM 873 CA ILE A 52 92.986 -1.298 7.468 1.00 0.00 C ATOM 874 C ILE A 52 93.738 -2.375 8.250 1.00 0.00 C ATOM 875 O ILE A 52 94.844 -2.745 7.909 1.00 0.00 O ATOM 876 CB ILE A 52 92.751 -1.789 6.041 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.251 -0.629 5.179 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.705 -2.905 6.049 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.901 -1.146 3.783 1.00 0.00 C ATOM 0 H ILE A 52 94.099 0.249 6.507 1.00 0.00 H new ATOM 0 HA ILE A 52 92.031 -1.098 7.954 1.00 0.00 H new ATOM 0 HB ILE A 52 93.686 -2.171 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.375 -0.171 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 52 93.016 0.144 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.538 -3.255 5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.061 -3.733 6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.770 -2.524 6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.544 -0.320 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.788 -1.584 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.121 -1.904 3.861 1.00 0.00 H new ATOM 891 N LYS A 53 93.142 -2.889 9.292 1.00 0.00 N ATOM 892 CA LYS A 53 93.814 -3.952 10.095 1.00 0.00 C ATOM 893 C LYS A 53 93.451 -5.325 9.520 1.00 0.00 C ATOM 894 O LYS A 53 94.309 -6.142 9.252 1.00 0.00 O ATOM 895 CB LYS A 53 93.341 -3.863 11.549 1.00 0.00 C ATOM 896 CG LYS A 53 93.894 -5.048 12.342 1.00 0.00 C ATOM 897 CD LYS A 53 93.674 -4.813 13.838 1.00 0.00 C ATOM 898 CE LYS A 53 93.880 -6.127 14.593 1.00 0.00 C ATOM 899 NZ LYS A 53 95.231 -6.671 14.279 1.00 0.00 N ATOM 0 H LYS A 53 92.216 -2.618 9.623 1.00 0.00 H new ATOM 0 HA LYS A 53 94.895 -3.816 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.676 -2.926 11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.252 -3.863 11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.399 -5.968 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 53 94.957 -5.172 12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.368 -4.057 14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.667 -4.433 14.014 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.783 -5.962 15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.111 -6.846 14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 95.469 -7.422 14.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.232 -7.062 13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.936 -5.909 14.345 1.00 0.00 H new ATOM 913 N ARG A 54 92.183 -5.585 9.329 1.00 0.00 N ATOM 914 CA ARG A 54 91.762 -6.906 8.771 1.00 0.00 C ATOM 915 C ARG A 54 90.448 -6.747 8.013 1.00 0.00 C ATOM 916 O ARG A 54 89.865 -5.681 7.972 1.00 0.00 O ATOM 917 CB ARG A 54 91.546 -7.909 9.913 1.00 0.00 C ATOM 918 CG ARG A 54 90.615 -7.299 10.981 1.00 0.00 C ATOM 919 CD ARG A 54 89.911 -8.409 11.771 1.00 0.00 C ATOM 920 NE ARG A 54 89.451 -7.855 13.075 1.00 0.00 N ATOM 921 CZ ARG A 54 88.620 -8.534 13.818 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.207 -9.709 13.427 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.202 -8.038 14.950 1.00 0.00 N ATOM 0 H ARG A 54 91.421 -4.940 9.535 1.00 0.00 H new ATOM 0 HA ARG A 54 92.541 -7.268 8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.111 -8.829 9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.503 -8.174 10.362 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.192 -6.670 11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.874 -6.657 10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.063 -8.795 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.591 -9.245 11.935 1.00 0.00 H new ATOM 0 HE ARG A 54 89.786 -6.944 13.388 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.534 -10.096 12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.558 -10.240 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.525 -7.119 15.254 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.553 -8.569 15.531 1.00 0.00 H new ATOM 937 N TRP A 55 89.965 -7.808 7.431 1.00 0.00 N ATOM 938 CA TRP A 55 88.672 -7.730 6.698 1.00 0.00 C ATOM 939 C TRP A 55 88.062 -9.121 6.592 1.00 0.00 C ATOM 940 O TRP A 55 88.683 -10.108 6.908 1.00 0.00 O ATOM 941 CB TRP A 55 88.888 -7.158 5.294 1.00 0.00 C ATOM 942 CG TRP A 55 89.977 -7.910 4.595 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.815 -9.083 3.940 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.384 -7.557 4.457 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.035 -9.476 3.417 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.031 -8.566 3.706 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.154 -6.471 4.908 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.393 -8.499 3.411 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.525 -6.400 4.613 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.142 -7.412 3.865 1.00 0.00 C ATOM 0 H TRP A 55 90.410 -8.726 7.431 1.00 0.00 H new ATOM 0 HA TRP A 55 87.996 -7.073 7.246 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.964 -7.223 4.720 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.149 -6.102 5.359 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.886 -9.624 3.841 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.180 -10.333 2.883 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.688 -5.686 5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.864 -9.282 2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.107 -5.561 4.964 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.197 -7.351 3.640 1.00 0.00 H new ATOM 961 N ALA A 56 86.842 -9.203 6.151 1.00 0.00 N ATOM 962 CA ALA A 56 86.179 -10.531 6.007 1.00 0.00 C ATOM 963 C ALA A 56 85.207 -10.450 4.830 1.00 0.00 C ATOM 964 O ALA A 56 84.187 -9.794 4.904 1.00 0.00 O ATOM 965 CB ALA A 56 85.427 -10.876 7.298 1.00 0.00 C ATOM 0 H ALA A 56 86.269 -8.404 5.881 1.00 0.00 H new ATOM 0 HA ALA A 56 86.919 -11.311 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.944 -11.847 7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.130 -10.912 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.672 -10.115 7.494 1.00 0.00 H new ATOM 971 N ALA A 57 85.522 -11.092 3.737 1.00 0.00 N ATOM 972 CA ALA A 57 84.624 -11.033 2.543 1.00 0.00 C ATOM 973 C ALA A 57 83.758 -12.286 2.469 1.00 0.00 C ATOM 974 O ALA A 57 84.242 -13.397 2.560 1.00 0.00 O ATOM 975 CB ALA A 57 85.477 -10.944 1.279 1.00 0.00 C ATOM 0 H ALA A 57 86.363 -11.656 3.618 1.00 0.00 H new ATOM 0 HA ALA A 57 83.980 -10.158 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.828 -10.901 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.093 -10.046 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.119 -11.822 1.211 1.00 0.00 H new ATOM 981 N SER A 58 82.474 -12.105 2.286 1.00 0.00 N ATOM 982 CA SER A 58 81.538 -13.259 2.178 1.00 0.00 C ATOM 983 C SER A 58 80.705 -13.065 0.898 1.00 0.00 C ATOM 984 O SER A 58 80.598 -11.956 0.413 1.00 0.00 O ATOM 985 CB SER A 58 80.628 -13.283 3.417 1.00 0.00 C ATOM 986 OG SER A 58 81.147 -14.216 4.357 1.00 0.00 O ATOM 0 H SER A 58 82.031 -11.190 2.206 1.00 0.00 H new ATOM 0 HA SER A 58 82.077 -14.205 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.574 -12.290 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.613 -13.560 3.133 1.00 0.00 H new ATOM 0 HG SER A 58 80.572 -14.235 5.151 1.00 0.00 H new ATOM 992 N PRO A 59 80.135 -14.129 0.377 1.00 0.00 N ATOM 993 CA PRO A 59 79.315 -14.040 -0.851 1.00 0.00 C ATOM 994 C PRO A 59 78.101 -13.115 -0.639 1.00 0.00 C ATOM 995 O PRO A 59 77.105 -13.237 -1.324 1.00 0.00 O ATOM 996 CB PRO A 59 78.861 -15.495 -1.120 1.00 0.00 C ATOM 997 CG PRO A 59 79.258 -16.335 0.124 1.00 0.00 C ATOM 998 CD PRO A 59 80.251 -15.493 0.943 1.00 0.00 C ATOM 0 HA PRO A 59 79.871 -13.618 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.785 -15.538 -1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.338 -15.888 -2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.379 -16.580 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.712 -17.279 -0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.001 -15.505 2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.267 -15.876 0.850 1.00 0.00 H new ATOM 1006 N LYS A 60 78.155 -12.202 0.302 1.00 0.00 N ATOM 1007 CA LYS A 60 76.981 -11.309 0.529 1.00 0.00 C ATOM 1008 C LYS A 60 77.427 -9.940 1.049 1.00 0.00 C ATOM 1009 O LYS A 60 76.831 -8.930 0.736 1.00 0.00 O ATOM 1010 CB LYS A 60 76.069 -11.962 1.566 1.00 0.00 C ATOM 1011 CG LYS A 60 76.760 -11.970 2.938 1.00 0.00 C ATOM 1012 CD LYS A 60 76.175 -13.084 3.811 1.00 0.00 C ATOM 1013 CE LYS A 60 76.530 -12.831 5.278 1.00 0.00 C ATOM 1014 NZ LYS A 60 77.999 -12.616 5.403 1.00 0.00 N ATOM 0 H LYS A 60 78.954 -12.040 0.915 1.00 0.00 H new ATOM 0 HA LYS A 60 76.457 -11.166 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.126 -11.419 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.831 -12.982 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.833 -12.119 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.627 -11.005 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 60 75.092 -13.123 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 60 76.566 -14.051 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 60 75.991 -11.959 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 60 76.222 -13.679 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 78.255 -12.545 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 78.505 -13.416 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 78.264 -11.736 4.916 1.00 0.00 H new ATOM 1028 N SER A 61 78.449 -9.895 1.864 1.00 0.00 N ATOM 1029 CA SER A 61 78.898 -8.577 2.424 1.00 0.00 C ATOM 1030 C SER A 61 80.419 -8.528 2.593 1.00 0.00 C ATOM 1031 O SER A 61 81.094 -9.538 2.636 1.00 0.00 O ATOM 1032 CB SER A 61 78.245 -8.373 3.791 1.00 0.00 C ATOM 1033 OG SER A 61 78.968 -7.385 4.514 1.00 0.00 O ATOM 0 H SER A 61 78.991 -10.705 2.166 1.00 0.00 H new ATOM 0 HA SER A 61 78.604 -7.791 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.207 -8.064 3.669 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.235 -9.311 4.346 1.00 0.00 H new ATOM 0 HG SER A 61 78.625 -6.496 4.286 1.00 0.00 H new ATOM 1039 N PHE A 62 80.948 -7.333 2.707 1.00 0.00 N ATOM 1040 CA PHE A 62 82.422 -7.136 2.898 1.00 0.00 C ATOM 1041 C PHE A 62 82.633 -6.371 4.208 1.00 0.00 C ATOM 1042 O PHE A 62 81.877 -5.477 4.530 1.00 0.00 O ATOM 1043 CB PHE A 62 82.985 -6.315 1.731 1.00 0.00 C ATOM 1044 CG PHE A 62 84.472 -6.085 1.925 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.349 -7.176 1.977 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.975 -4.781 2.050 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.721 -6.966 2.155 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.349 -4.574 2.226 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.221 -5.666 2.278 1.00 0.00 C ATOM 0 H PHE A 62 80.409 -6.468 2.675 1.00 0.00 H new ATOM 0 HA PHE A 62 82.932 -8.099 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.810 -6.837 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.467 -5.358 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.966 -8.181 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.303 -3.937 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.395 -7.809 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.735 -3.570 2.322 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.280 -5.505 2.413 1.00 0.00 H new ATOM 1059 N THR A 63 83.638 -6.722 4.977 1.00 0.00 N ATOM 1060 CA THR A 63 83.878 -6.020 6.282 1.00 0.00 C ATOM 1061 C THR A 63 85.347 -5.608 6.388 1.00 0.00 C ATOM 1062 O THR A 63 86.229 -6.314 5.952 1.00 0.00 O ATOM 1063 CB THR A 63 83.530 -6.980 7.429 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.122 -7.161 7.477 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.018 -6.411 8.768 1.00 0.00 C ATOM 0 H THR A 63 84.303 -7.464 4.758 1.00 0.00 H new ATOM 0 HA THR A 63 83.255 -5.127 6.340 1.00 0.00 H new ATOM 0 HB THR A 63 84.022 -7.937 7.253 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.896 -7.775 8.207 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.764 -7.103 9.571 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.099 -6.276 8.734 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.538 -5.450 8.951 1.00 0.00 H new ATOM 1073 N LEU A 64 85.610 -4.469 6.982 1.00 0.00 N ATOM 1074 CA LEU A 64 87.023 -3.998 7.147 1.00 0.00 C ATOM 1075 C LEU A 64 87.198 -3.451 8.567 1.00 0.00 C ATOM 1076 O LEU A 64 86.243 -3.077 9.219 1.00 0.00 O ATOM 1077 CB LEU A 64 87.344 -2.893 6.123 1.00 0.00 C ATOM 1078 CG LEU A 64 86.099 -2.006 5.888 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.536 -0.568 5.570 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.263 -2.558 4.714 1.00 0.00 C ATOM 0 H LEU A 64 84.902 -3.841 7.362 1.00 0.00 H new ATOM 0 HA LEU A 64 87.704 -4.833 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.172 -2.282 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.664 -3.341 5.182 1.00 0.00 H new ATOM 0 HG LEU A 64 85.491 -2.011 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.655 0.052 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.110 -0.169 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.154 -0.566 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.390 -1.924 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 64 85.869 -2.567 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 64 84.939 -3.573 4.944 1.00 0.00 H new ATOM 1092 N ASP A 65 88.415 -3.406 9.046 1.00 0.00 N ATOM 1093 CA ASP A 65 88.680 -2.887 10.428 1.00 0.00 C ATOM 1094 C ASP A 65 89.808 -1.857 10.379 1.00 0.00 C ATOM 1095 O ASP A 65 90.899 -2.137 9.923 1.00 0.00 O ATOM 1096 CB ASP A 65 89.101 -4.043 11.339 1.00 0.00 C ATOM 1097 CG ASP A 65 89.223 -3.538 12.777 1.00 0.00 C ATOM 1098 OD1 ASP A 65 88.440 -2.680 13.151 1.00 0.00 O ATOM 1099 OD2 ASP A 65 90.096 -4.018 13.481 1.00 0.00 O ATOM 0 H ASP A 65 89.245 -3.709 8.537 1.00 0.00 H new ATOM 0 HA ASP A 65 87.773 -2.424 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.368 -4.848 11.286 1.00 0.00 H new ATOM 0 HB3 ASP A 65 90.053 -4.456 11.005 1.00 0.00 H new ATOM 1104 N PHE A 66 89.558 -0.668 10.858 1.00 0.00 N ATOM 1105 CA PHE A 66 90.617 0.383 10.857 1.00 0.00 C ATOM 1106 C PHE A 66 91.343 0.344 12.198 1.00 0.00 C ATOM 1107 O PHE A 66 92.252 1.110 12.450 1.00 0.00 O ATOM 1108 CB PHE A 66 89.971 1.757 10.677 1.00 0.00 C ATOM 1109 CG PHE A 66 89.413 1.876 9.277 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.281 1.898 8.179 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.028 1.962 9.076 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.767 2.005 6.881 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.514 2.070 7.778 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.383 2.091 6.681 1.00 0.00 C ATOM 0 H PHE A 66 88.663 -0.378 11.251 1.00 0.00 H new ATOM 0 HA PHE A 66 91.319 0.203 10.042 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.175 1.895 11.409 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.706 2.542 10.854 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.348 1.832 8.333 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.358 1.945 9.923 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.437 2.021 6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.447 2.137 7.623 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.986 2.174 5.680 1.00 0.00 H new ATOM 1124 N GLY A 67 90.936 -0.539 13.066 1.00 0.00 N ATOM 1125 CA GLY A 67 91.587 -0.627 14.402 1.00 0.00 C ATOM 1126 C GLY A 67 91.124 0.554 15.252 1.00 0.00 C ATOM 1127 O GLY A 67 91.476 0.679 16.408 1.00 0.00 O ATOM 0 H GLY A 67 90.179 -1.205 12.908 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.326 -1.567 14.888 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.672 -0.613 14.295 1.00 0.00 H new ATOM 1131 N ASP A 68 90.336 1.426 14.681 1.00 0.00 N ATOM 1132 CA ASP A 68 89.844 2.607 15.443 1.00 0.00 C ATOM 1133 C ASP A 68 88.578 2.233 16.217 1.00 0.00 C ATOM 1134 O ASP A 68 87.480 2.313 15.704 1.00 0.00 O ATOM 1135 CB ASP A 68 89.535 3.743 14.466 1.00 0.00 C ATOM 1136 CG ASP A 68 90.603 3.781 13.372 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.630 3.149 13.553 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.375 4.442 12.373 1.00 0.00 O ATOM 0 H ASP A 68 90.012 1.369 13.716 1.00 0.00 H new ATOM 0 HA ASP A 68 90.609 2.930 16.149 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.550 3.597 14.022 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.508 4.695 14.996 1.00 0.00 H new ATOM 1143 N TYR A 69 88.723 1.828 17.449 1.00 0.00 N ATOM 1144 CA TYR A 69 87.532 1.454 18.260 1.00 0.00 C ATOM 1145 C TYR A 69 86.454 2.530 18.108 1.00 0.00 C ATOM 1146 O TYR A 69 85.288 2.238 17.930 1.00 0.00 O ATOM 1147 CB TYR A 69 87.944 1.344 19.730 1.00 0.00 C ATOM 1148 CG TYR A 69 86.719 1.136 20.588 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.113 -0.123 20.644 1.00 0.00 C ATOM 1150 CD2 TYR A 69 86.190 2.202 21.326 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.977 -0.319 21.439 1.00 0.00 C ATOM 1152 CE2 TYR A 69 85.055 2.007 22.123 1.00 0.00 C ATOM 1153 CZ TYR A 69 84.449 0.746 22.179 1.00 0.00 C ATOM 1154 OH TYR A 69 83.330 0.552 22.965 1.00 0.00 O ATOM 0 H TYR A 69 89.618 1.740 17.930 1.00 0.00 H new ATOM 0 HA TYR A 69 87.137 0.498 17.917 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.638 0.514 19.862 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.467 2.249 20.040 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.521 -0.944 20.074 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.657 3.175 21.281 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.508 -1.291 21.481 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.648 2.828 22.694 1.00 0.00 H new ATOM 0 HH TYR A 69 83.095 1.392 23.413 1.00 0.00 H new ATOM 1164 N GLN A 70 86.840 3.772 18.180 1.00 0.00 N ATOM 1165 CA GLN A 70 85.848 4.874 18.043 1.00 0.00 C ATOM 1166 C GLN A 70 85.015 4.667 16.778 1.00 0.00 C ATOM 1167 O GLN A 70 83.802 4.627 16.822 1.00 0.00 O ATOM 1168 CB GLN A 70 86.579 6.222 17.966 1.00 0.00 C ATOM 1169 CG GLN A 70 87.616 6.210 16.839 1.00 0.00 C ATOM 1170 CD GLN A 70 88.658 7.307 17.080 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.807 8.206 16.276 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.389 7.271 18.161 1.00 0.00 N ATOM 0 H GLN A 70 87.803 4.073 18.328 1.00 0.00 H new ATOM 0 HA GLN A 70 85.188 4.871 18.911 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.859 7.023 17.797 1.00 0.00 H new ATOM 0 HB3 GLN A 70 87.070 6.430 18.917 1.00 0.00 H new ATOM 0 HG2 GLN A 70 88.104 5.236 16.792 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.125 6.367 15.879 1.00 0.00 H new ATOM 0 HE21 GLN A 70 89.264 6.517 18.836 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.085 7.997 18.331 1.00 0.00 H new ATOM 1181 N ASP A 71 85.654 4.538 15.650 1.00 0.00 N ATOM 1182 CA ASP A 71 84.900 4.339 14.385 1.00 0.00 C ATOM 1183 C ASP A 71 84.264 2.950 14.388 1.00 0.00 C ATOM 1184 O ASP A 71 83.145 2.765 13.952 1.00 0.00 O ATOM 1185 CB ASP A 71 85.861 4.463 13.203 1.00 0.00 C ATOM 1186 CG ASP A 71 85.071 4.714 11.915 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.321 3.834 11.522 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.229 5.780 11.344 1.00 0.00 O ATOM 0 H ASP A 71 86.669 4.562 15.551 1.00 0.00 H new ATOM 0 HA ASP A 71 84.118 5.093 14.298 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.561 5.280 13.376 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.452 3.552 13.106 1.00 0.00 H new ATOM 1193 N GLY A 72 84.974 1.973 14.876 1.00 0.00 N ATOM 1194 CA GLY A 72 84.420 0.593 14.908 1.00 0.00 C ATOM 1195 C GLY A 72 84.571 -0.048 13.529 1.00 0.00 C ATOM 1196 O GLY A 72 85.129 0.535 12.621 1.00 0.00 O ATOM 0 H GLY A 72 85.916 2.071 15.255 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.942 -0.003 15.657 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.369 0.618 15.196 1.00 0.00 H new ATOM 1200 N TYR A 73 84.080 -1.243 13.365 1.00 0.00 N ATOM 1201 CA TYR A 73 84.199 -1.920 12.044 1.00 0.00 C ATOM 1202 C TYR A 73 83.256 -1.260 11.037 1.00 0.00 C ATOM 1203 O TYR A 73 82.303 -0.600 11.401 1.00 0.00 O ATOM 1204 CB TYR A 73 83.829 -3.397 12.190 1.00 0.00 C ATOM 1205 CG TYR A 73 84.540 -3.975 13.390 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.928 -4.133 13.363 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.814 -4.350 14.526 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.595 -4.666 14.472 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.479 -4.884 15.637 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.870 -5.042 15.610 1.00 0.00 C ATOM 1211 OH TYR A 73 86.526 -5.567 16.704 1.00 0.00 O ATOM 0 H TYR A 73 83.601 -1.781 14.088 1.00 0.00 H new ATOM 0 HA TYR A 73 85.226 -1.833 11.689 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.750 -3.503 12.306 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.108 -3.944 11.290 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.487 -3.843 12.485 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.741 -4.228 14.546 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.668 -4.787 14.450 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.919 -5.174 16.514 1.00 0.00 H new ATOM 0 HH TYR A 73 85.876 -5.774 17.407 1.00 0.00 H new ATOM 1221 N TYR A 74 83.519 -1.446 9.771 1.00 0.00 N ATOM 1222 CA TYR A 74 82.659 -0.856 8.706 1.00 0.00 C ATOM 1223 C TYR A 74 82.337 -1.951 7.692 1.00 0.00 C ATOM 1224 O TYR A 74 83.187 -2.377 6.938 1.00 0.00 O ATOM 1225 CB TYR A 74 83.421 0.273 8.012 1.00 0.00 C ATOM 1226 CG TYR A 74 82.537 0.941 6.984 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.615 1.918 7.380 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.645 0.588 5.633 1.00 0.00 C ATOM 1229 CE1 TYR A 74 80.801 2.539 6.425 1.00 0.00 C ATOM 1230 CE2 TYR A 74 81.831 1.210 4.679 1.00 0.00 C ATOM 1231 CZ TYR A 74 80.909 2.185 5.075 1.00 0.00 C ATOM 1232 OH TYR A 74 80.108 2.798 4.134 1.00 0.00 O ATOM 0 H TYR A 74 84.308 -1.992 9.425 1.00 0.00 H new ATOM 0 HA TYR A 74 81.740 -0.458 9.135 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.753 1.005 8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.316 -0.123 7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.532 2.192 8.421 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.357 -0.165 5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.089 3.292 6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 74 81.915 0.937 3.637 1.00 0.00 H new ATOM 0 HH TYR A 74 79.254 2.321 4.071 1.00 0.00 H new ATOM 1242 N SER A 75 81.120 -2.421 7.686 1.00 0.00 N ATOM 1243 CA SER A 75 80.719 -3.509 6.742 1.00 0.00 C ATOM 1244 C SER A 75 79.517 -3.078 5.905 1.00 0.00 C ATOM 1245 O SER A 75 78.748 -2.217 6.285 1.00 0.00 O ATOM 1246 CB SER A 75 80.350 -4.752 7.549 1.00 0.00 C ATOM 1247 OG SER A 75 79.286 -4.435 8.438 1.00 0.00 O ATOM 0 H SER A 75 80.375 -2.095 8.302 1.00 0.00 H new ATOM 0 HA SER A 75 81.552 -3.724 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 75 80.052 -5.559 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 75 81.215 -5.106 8.110 1.00 0.00 H new ATOM 0 HG SER A 75 79.045 -5.231 8.957 1.00 0.00 H new ATOM 1253 N VAL A 76 79.361 -3.683 4.759 1.00 0.00 N ATOM 1254 CA VAL A 76 78.220 -3.339 3.862 1.00 0.00 C ATOM 1255 C VAL A 76 77.872 -4.560 3.010 1.00 0.00 C ATOM 1256 O VAL A 76 78.565 -5.558 3.029 1.00 0.00 O ATOM 1257 CB VAL A 76 78.615 -2.176 2.951 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.829 -0.916 3.794 1.00 0.00 C ATOM 1259 CG2 VAL A 76 79.912 -2.526 2.220 1.00 0.00 C ATOM 0 H VAL A 76 79.982 -4.409 4.402 1.00 0.00 H new ATOM 0 HA VAL A 76 77.357 -3.048 4.460 1.00 0.00 H new ATOM 0 HB VAL A 76 77.822 -1.995 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.111 -0.087 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.906 -0.668 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.623 -1.094 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.197 -1.699 1.569 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.703 -2.704 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.761 -3.424 1.621 1.00 0.00 H new ATOM 1269 N GLN A 77 76.801 -4.497 2.271 1.00 0.00 N ATOM 1270 CA GLN A 77 76.408 -5.656 1.432 1.00 0.00 C ATOM 1271 C GLN A 77 77.266 -5.701 0.166 1.00 0.00 C ATOM 1272 O GLN A 77 77.566 -4.687 -0.432 1.00 0.00 O ATOM 1273 CB GLN A 77 74.937 -5.508 1.047 1.00 0.00 C ATOM 1274 CG GLN A 77 74.056 -5.867 2.244 1.00 0.00 C ATOM 1275 CD GLN A 77 72.592 -5.595 1.897 1.00 0.00 C ATOM 1276 OE1 GLN A 77 71.805 -6.511 1.767 1.00 0.00 O ATOM 1277 NE2 GLN A 77 72.193 -4.363 1.738 1.00 0.00 N ATOM 0 H GLN A 77 76.181 -3.689 2.213 1.00 0.00 H new ATOM 0 HA GLN A 77 76.557 -6.580 1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.735 -4.486 0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.704 -6.158 0.203 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.190 -6.916 2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.350 -5.281 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.855 -3.594 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.219 -4.168 1.504 1.00 0.00 H new ATOM 1286 N THR A 78 77.655 -6.879 -0.245 1.00 0.00 N ATOM 1287 CA THR A 78 78.489 -7.022 -1.469 1.00 0.00 C ATOM 1288 C THR A 78 78.210 -8.380 -2.104 1.00 0.00 C ATOM 1289 O THR A 78 78.335 -9.412 -1.475 1.00 0.00 O ATOM 1290 CB THR A 78 79.972 -6.943 -1.105 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.297 -8.008 -0.222 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.271 -5.606 -0.427 1.00 0.00 C ATOM 0 H THR A 78 77.427 -7.756 0.222 1.00 0.00 H new ATOM 0 HA THR A 78 78.244 -6.220 -2.165 1.00 0.00 H new ATOM 0 HB THR A 78 80.571 -7.024 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.685 -8.758 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.329 -5.557 -0.170 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.024 -4.790 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.673 -5.516 0.480 1.00 0.00 H new ATOM 1300 N THR A 79 77.836 -8.387 -3.346 1.00 0.00 N ATOM 1301 CA THR A 79 77.551 -9.675 -4.034 1.00 0.00 C ATOM 1302 C THR A 79 78.863 -10.417 -4.281 1.00 0.00 C ATOM 1303 O THR A 79 78.886 -11.614 -4.485 1.00 0.00 O ATOM 1304 CB THR A 79 76.880 -9.386 -5.374 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.739 -8.566 -5.164 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.456 -10.700 -6.030 1.00 0.00 C ATOM 0 H THR A 79 77.714 -7.553 -3.920 1.00 0.00 H new ATOM 0 HA THR A 79 76.895 -10.286 -3.414 1.00 0.00 H new ATOM 0 HB THR A 79 77.582 -8.869 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.308 -8.378 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 79 75.977 -10.491 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.334 -11.325 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 79 75.754 -11.222 -5.379 1.00 0.00 H new ATOM 1314 N GLU A 80 79.958 -9.707 -4.268 1.00 0.00 N ATOM 1315 CA GLU A 80 81.281 -10.352 -4.507 1.00 0.00 C ATOM 1316 C GLU A 80 82.360 -9.595 -3.732 1.00 0.00 C ATOM 1317 O GLU A 80 83.367 -9.187 -4.276 1.00 0.00 O ATOM 1318 CB GLU A 80 81.599 -10.332 -6.009 1.00 0.00 C ATOM 1319 CG GLU A 80 81.517 -8.892 -6.561 1.00 0.00 C ATOM 1320 CD GLU A 80 81.134 -8.917 -8.046 1.00 0.00 C ATOM 1321 OE1 GLU A 80 81.294 -9.959 -8.660 1.00 0.00 O ATOM 1322 OE2 GLU A 80 80.689 -7.895 -8.541 1.00 0.00 O ATOM 0 H GLU A 80 79.993 -8.701 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 80 81.253 -11.387 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.596 -10.737 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 80 80.898 -10.973 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.780 -8.320 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.476 -8.390 -6.433 1.00 0.00 H new ATOM 1329 N GLY A 81 82.150 -9.410 -2.459 1.00 0.00 N ATOM 1330 CA GLY A 81 83.148 -8.685 -1.622 1.00 0.00 C ATOM 1331 C GLY A 81 84.513 -9.364 -1.738 1.00 0.00 C ATOM 1332 O GLY A 81 85.499 -8.890 -1.210 1.00 0.00 O ATOM 0 H GLY A 81 81.322 -9.733 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.220 -7.646 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.824 -8.674 -0.581 1.00 0.00 H new ATOM 1336 N GLU A 82 84.579 -10.470 -2.423 1.00 0.00 N ATOM 1337 CA GLU A 82 85.878 -11.179 -2.572 1.00 0.00 C ATOM 1338 C GLU A 82 86.853 -10.278 -3.327 1.00 0.00 C ATOM 1339 O GLU A 82 87.924 -9.956 -2.851 1.00 0.00 O ATOM 1340 CB GLU A 82 85.647 -12.479 -3.357 1.00 0.00 C ATOM 1341 CG GLU A 82 86.972 -13.016 -3.896 1.00 0.00 C ATOM 1342 CD GLU A 82 86.823 -14.492 -4.275 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.676 -15.303 -3.375 1.00 0.00 O ATOM 1344 OE2 GLU A 82 86.858 -14.786 -5.459 1.00 0.00 O ATOM 0 H GLU A 82 83.787 -10.914 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 82 86.295 -11.417 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.181 -13.223 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.958 -12.296 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.281 -12.438 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.753 -12.902 -3.144 1.00 0.00 H new ATOM 1351 N GLN A 83 86.482 -9.872 -4.501 1.00 0.00 N ATOM 1352 CA GLN A 83 87.371 -8.990 -5.307 1.00 0.00 C ATOM 1353 C GLN A 83 87.814 -7.824 -4.443 1.00 0.00 C ATOM 1354 O GLN A 83 88.973 -7.459 -4.404 1.00 0.00 O ATOM 1355 CB GLN A 83 86.610 -8.444 -6.515 1.00 0.00 C ATOM 1356 CG GLN A 83 85.933 -9.579 -7.276 1.00 0.00 C ATOM 1357 CD GLN A 83 84.933 -8.997 -8.267 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.260 -8.128 -9.050 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.716 -9.450 -8.261 1.00 0.00 N ATOM 0 H GLN A 83 85.595 -10.113 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 83 88.233 -9.562 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.863 -7.722 -6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.296 -7.914 -7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.679 -10.175 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.425 -10.247 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.447 -10.180 -7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.029 -9.076 -8.916 1.00 0.00 H new ATOM 1368 N ILE A 84 86.893 -7.247 -3.739 1.00 0.00 N ATOM 1369 CA ILE A 84 87.241 -6.107 -2.856 1.00 0.00 C ATOM 1370 C ILE A 84 88.393 -6.535 -1.948 1.00 0.00 C ATOM 1371 O ILE A 84 89.238 -5.744 -1.579 1.00 0.00 O ATOM 1372 CB ILE A 84 86.018 -5.733 -2.017 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.828 -5.485 -2.953 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.310 -4.465 -1.209 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.639 -4.942 -2.156 1.00 0.00 C ATOM 0 H ILE A 84 85.909 -7.515 -3.735 1.00 0.00 H new ATOM 0 HA ILE A 84 87.543 -5.241 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 84 85.784 -6.545 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.109 -4.776 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.548 -6.412 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.435 -4.204 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.159 -4.642 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.544 -3.646 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.799 -4.769 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.351 -5.666 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.920 -4.004 -1.677 1.00 0.00 H new ATOM 1387 N ALA A 85 88.434 -7.793 -1.597 1.00 0.00 N ATOM 1388 CA ALA A 85 89.535 -8.292 -0.723 1.00 0.00 C ATOM 1389 C ALA A 85 90.750 -8.631 -1.583 1.00 0.00 C ATOM 1390 O ALA A 85 91.875 -8.578 -1.131 1.00 0.00 O ATOM 1391 CB ALA A 85 89.074 -9.548 0.016 1.00 0.00 C ATOM 0 H ALA A 85 87.752 -8.497 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 85 89.800 -7.521 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.880 -9.911 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.204 -9.311 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.809 -10.319 -0.707 1.00 0.00 H new ATOM 1397 N GLN A 86 90.532 -8.980 -2.823 1.00 0.00 N ATOM 1398 CA GLN A 86 91.674 -9.324 -3.712 1.00 0.00 C ATOM 1399 C GLN A 86 92.257 -8.042 -4.290 1.00 0.00 C ATOM 1400 O GLN A 86 93.449 -7.916 -4.490 1.00 0.00 O ATOM 1401 CB GLN A 86 91.178 -10.213 -4.849 1.00 0.00 C ATOM 1402 CG GLN A 86 92.369 -10.857 -5.553 1.00 0.00 C ATOM 1403 CD GLN A 86 91.940 -11.394 -6.916 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.768 -11.603 -7.162 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.849 -11.628 -7.819 1.00 0.00 N ATOM 0 H GLN A 86 89.611 -9.041 -3.257 1.00 0.00 H new ATOM 0 HA GLN A 86 92.439 -9.853 -3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.514 -10.984 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.599 -9.623 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.168 -10.126 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.769 -11.667 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.832 -11.452 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.578 -11.987 -8.734 1.00 0.00 H new ATOM 1414 N LEU A 87 91.417 -7.087 -4.549 1.00 0.00 N ATOM 1415 CA LEU A 87 91.898 -5.800 -5.103 1.00 0.00 C ATOM 1416 C LEU A 87 92.640 -5.059 -4.001 1.00 0.00 C ATOM 1417 O LEU A 87 93.665 -4.444 -4.218 1.00 0.00 O ATOM 1418 CB LEU A 87 90.693 -4.974 -5.566 1.00 0.00 C ATOM 1419 CG LEU A 87 91.148 -3.590 -6.040 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.209 -3.734 -7.147 1.00 0.00 C ATOM 1421 CD2 LEU A 87 89.935 -2.833 -6.585 1.00 0.00 C ATOM 0 H LEU A 87 90.410 -7.144 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 87 92.562 -5.968 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.178 -5.492 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.979 -4.870 -4.749 1.00 0.00 H new ATOM 0 HG LEU A 87 91.585 -3.042 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.526 -2.745 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.069 -4.280 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.784 -4.279 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.246 -1.845 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.506 -3.387 -7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.189 -2.727 -5.798 1.00 0.00 H new ATOM 1433 N ILE A 88 92.119 -5.128 -2.815 1.00 0.00 N ATOM 1434 CA ILE A 88 92.767 -4.448 -1.667 1.00 0.00 C ATOM 1435 C ILE A 88 93.992 -5.257 -1.237 1.00 0.00 C ATOM 1436 O ILE A 88 95.079 -4.734 -1.096 1.00 0.00 O ATOM 1437 CB ILE A 88 91.759 -4.366 -0.515 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.704 -3.305 -0.850 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.481 -3.989 0.786 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.580 -3.337 0.188 1.00 0.00 C ATOM 0 H ILE A 88 91.262 -5.632 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 88 93.083 -3.443 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 88 91.277 -5.334 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 88 91.164 -2.317 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.297 -3.487 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.758 -3.933 1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.231 -4.745 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.967 -3.021 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.836 -2.580 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 88 89.111 -4.321 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.992 -3.133 1.176 1.00 0.00 H new ATOM 1452 N ALA A 89 93.820 -6.532 -1.033 1.00 0.00 N ATOM 1453 CA ALA A 89 94.970 -7.382 -0.618 1.00 0.00 C ATOM 1454 C ALA A 89 96.064 -7.284 -1.681 1.00 0.00 C ATOM 1455 O ALA A 89 97.205 -7.633 -1.451 1.00 0.00 O ATOM 1456 CB ALA A 89 94.515 -8.836 -0.491 1.00 0.00 C ATOM 0 H ALA A 89 92.932 -7.023 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 89 95.352 -7.041 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.358 -9.456 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.725 -8.906 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.136 -9.184 -1.452 1.00 0.00 H new ATOM 1462 N GLY A 90 95.714 -6.820 -2.851 1.00 0.00 N ATOM 1463 CA GLY A 90 96.718 -6.707 -3.948 1.00 0.00 C ATOM 1464 C GLY A 90 97.468 -5.376 -3.854 1.00 0.00 C ATOM 1465 O GLY A 90 98.599 -5.269 -4.279 1.00 0.00 O ATOM 0 H GLY A 90 94.772 -6.513 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.425 -7.534 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.219 -6.783 -4.914 1.00 0.00 H new ATOM 1469 N TYR A 91 96.857 -4.353 -3.312 1.00 0.00 N ATOM 1470 CA TYR A 91 97.564 -3.040 -3.214 1.00 0.00 C ATOM 1471 C TYR A 91 98.419 -3.011 -1.946 1.00 0.00 C ATOM 1472 O TYR A 91 99.278 -2.170 -1.789 1.00 0.00 O ATOM 1473 CB TYR A 91 96.541 -1.896 -3.144 1.00 0.00 C ATOM 1474 CG TYR A 91 95.961 -1.595 -4.515 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.799 -1.224 -5.582 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.575 -1.659 -4.713 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.249 -0.930 -6.835 1.00 0.00 C ATOM 1478 CE2 TYR A 91 94.030 -1.361 -5.965 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.865 -0.999 -7.027 1.00 0.00 C ATOM 1480 OH TYR A 91 94.324 -0.705 -8.262 1.00 0.00 O ATOM 0 H TYR A 91 95.909 -4.369 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 91 98.195 -2.915 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.738 -2.164 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 91 97.018 -1.002 -2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.867 -1.166 -5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.927 -1.939 -3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.894 -0.650 -7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.961 -1.410 -6.113 1.00 0.00 H new ATOM 0 HH TYR A 91 93.350 -0.803 -8.224 1.00 0.00 H new ATOM 1490 N ILE A 92 98.175 -3.903 -1.031 1.00 0.00 N ATOM 1491 CA ILE A 92 98.961 -3.903 0.236 1.00 0.00 C ATOM 1492 C ILE A 92 100.298 -4.620 0.038 1.00 0.00 C ATOM 1493 O ILE A 92 101.270 -4.334 0.707 1.00 0.00 O ATOM 1494 CB ILE A 92 98.153 -4.621 1.314 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.847 -3.854 1.549 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.968 -4.676 2.608 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.936 -4.656 2.480 1.00 0.00 C ATOM 0 H ILE A 92 97.466 -4.633 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 92 99.161 -2.874 0.535 1.00 0.00 H new ATOM 0 HB ILE A 92 97.925 -5.638 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 92 97.061 -2.879 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.344 -3.674 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.393 -5.188 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.898 -5.216 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.195 -3.662 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 92 95.009 -4.107 2.644 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.710 -5.621 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.439 -4.813 3.434 1.00 0.00 H new ATOM 1509 N ASP A 93 100.355 -5.555 -0.868 1.00 0.00 N ATOM 1510 CA ASP A 93 101.626 -6.298 -1.102 1.00 0.00 C ATOM 1511 C ASP A 93 102.519 -5.515 -2.067 1.00 0.00 C ATOM 1512 O ASP A 93 103.710 -5.741 -2.149 1.00 0.00 O ATOM 1513 CB ASP A 93 101.300 -7.665 -1.707 1.00 0.00 C ATOM 1514 CG ASP A 93 100.758 -8.593 -0.617 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.446 -8.776 0.374 1.00 0.00 O ATOM 1516 OD2 ASP A 93 99.664 -9.105 -0.792 1.00 0.00 O ATOM 0 H ASP A 93 99.574 -5.838 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 93 102.151 -6.425 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.565 -7.555 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.194 -8.098 -2.156 1.00 0.00 H new ATOM 1521 N ILE A 94 101.950 -4.608 -2.809 1.00 0.00 N ATOM 1522 CA ILE A 94 102.756 -3.820 -3.787 1.00 0.00 C ATOM 1523 C ILE A 94 103.364 -2.594 -3.109 1.00 0.00 C ATOM 1524 O ILE A 94 104.402 -2.106 -3.509 1.00 0.00 O ATOM 1525 CB ILE A 94 101.852 -3.374 -4.933 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.248 -4.610 -5.605 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.677 -2.590 -5.954 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.107 -4.186 -6.529 1.00 0.00 C ATOM 0 H ILE A 94 100.957 -4.376 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 94 103.564 -4.444 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 94 101.054 -2.739 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 94 102.013 -5.137 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.879 -5.303 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 94 102.033 -2.270 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 94 103.114 -1.715 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.472 -3.225 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.679 -5.067 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.338 -3.678 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.490 -3.510 -7.293 1.00 0.00 H new ATOM 1540 N ILE A 95 102.733 -2.091 -2.086 1.00 0.00 N ATOM 1541 CA ILE A 95 103.289 -0.894 -1.389 1.00 0.00 C ATOM 1542 C ILE A 95 104.340 -1.349 -0.384 1.00 0.00 C ATOM 1543 O ILE A 95 105.380 -0.743 -0.230 1.00 0.00 O ATOM 1544 CB ILE A 95 102.171 -0.148 -0.655 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.400 -1.121 0.255 1.00 0.00 C ATOM 1546 CG2 ILE A 95 101.218 0.473 -1.679 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.160 -0.426 0.830 1.00 0.00 C ATOM 0 H ILE A 95 101.860 -2.453 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 95 103.739 -0.225 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 95 102.606 0.640 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 95 101.103 -2.004 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.044 -1.463 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 95 100.421 1.005 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.767 1.171 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.786 -0.314 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.619 -1.120 1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.467 0.443 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.511 -0.106 0.015 1.00 0.00 H new ATOM 1559 N LEU A 96 104.063 -2.417 0.299 1.00 0.00 N ATOM 1560 CA LEU A 96 105.017 -2.942 1.313 1.00 0.00 C ATOM 1561 C LEU A 96 106.287 -3.444 0.618 1.00 0.00 C ATOM 1562 O LEU A 96 107.334 -3.562 1.223 1.00 0.00 O ATOM 1563 CB LEU A 96 104.325 -4.099 2.061 1.00 0.00 C ATOM 1564 CG LEU A 96 103.729 -3.600 3.393 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.597 -4.532 3.833 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.820 -3.581 4.473 1.00 0.00 C ATOM 0 H LEU A 96 103.204 -2.958 0.198 1.00 0.00 H new ATOM 0 HA LEU A 96 105.299 -2.158 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.537 -4.522 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.043 -4.897 2.253 1.00 0.00 H new ATOM 0 HG LEU A 96 103.337 -2.592 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.178 -4.177 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.818 -4.543 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.988 -5.541 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.396 -3.228 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.215 -4.588 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.625 -2.914 4.165 1.00 0.00 H new ATOM 1578 N LYS A 97 106.198 -3.750 -0.641 1.00 0.00 N ATOM 1579 CA LYS A 97 107.390 -4.257 -1.372 1.00 0.00 C ATOM 1580 C LYS A 97 108.317 -3.096 -1.739 1.00 0.00 C ATOM 1581 O LYS A 97 109.464 -3.056 -1.342 1.00 0.00 O ATOM 1582 CB LYS A 97 106.929 -4.957 -2.650 1.00 0.00 C ATOM 1583 CG LYS A 97 108.109 -5.694 -3.305 1.00 0.00 C ATOM 1584 CD LYS A 97 107.820 -5.918 -4.790 1.00 0.00 C ATOM 1585 CE LYS A 97 109.045 -6.543 -5.460 1.00 0.00 C ATOM 1586 NZ LYS A 97 109.394 -7.818 -4.771 1.00 0.00 N ATOM 0 H LYS A 97 105.348 -3.671 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 97 107.932 -4.956 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 97 106.132 -5.664 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 97 106.516 -4.226 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 97 109.023 -5.113 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 97 108.273 -6.651 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 97 106.955 -6.571 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 97 107.573 -4.971 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 97 108.840 -6.731 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 97 109.887 -5.852 -5.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.023 -8.381 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 109.877 -7.607 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 108.526 -8.357 -4.578 1.00 0.00 H new ATOM 1600 N LYS A 98 107.837 -2.167 -2.515 1.00 0.00 N ATOM 1601 CA LYS A 98 108.689 -1.024 -2.937 1.00 0.00 C ATOM 1602 C LYS A 98 109.058 -0.149 -1.736 1.00 0.00 C ATOM 1603 O LYS A 98 110.214 0.154 -1.513 1.00 0.00 O ATOM 1604 CB LYS A 98 107.911 -0.191 -3.956 1.00 0.00 C ATOM 1605 CG LYS A 98 107.538 -1.066 -5.168 1.00 0.00 C ATOM 1606 CD LYS A 98 106.303 -0.487 -5.869 1.00 0.00 C ATOM 1607 CE LYS A 98 106.218 -1.027 -7.300 1.00 0.00 C ATOM 1608 NZ LYS A 98 107.449 -0.648 -8.049 1.00 0.00 N ATOM 0 H LYS A 98 106.884 -2.151 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 98 109.611 -1.405 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 98 107.009 0.214 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 98 108.512 0.659 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 98 108.374 -1.112 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 98 107.337 -2.087 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 98 105.402 -0.752 -5.316 1.00 0.00 H new ATOM 0 HD3 LYS A 98 106.359 0.601 -5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 98 106.108 -2.111 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 98 105.337 -0.625 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 107.218 -0.521 -9.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 107.828 0.241 -7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 108.161 -1.399 -7.949 1.00 0.00 H new ATOM 1622 N LYS A 99 108.091 0.278 -0.972 1.00 0.00 N ATOM 1623 CA LYS A 99 108.399 1.150 0.195 1.00 0.00 C ATOM 1624 C LYS A 99 109.357 0.429 1.156 1.00 0.00 C ATOM 1625 O LYS A 99 109.822 0.999 2.123 1.00 0.00 O ATOM 1626 CB LYS A 99 107.085 1.534 0.908 1.00 0.00 C ATOM 1627 CG LYS A 99 106.717 0.499 1.978 1.00 0.00 C ATOM 1628 CD LYS A 99 105.257 0.689 2.405 1.00 0.00 C ATOM 1629 CE LYS A 99 105.067 2.084 3.009 1.00 0.00 C ATOM 1630 NZ LYS A 99 104.935 3.086 1.913 1.00 0.00 N ATOM 0 H LYS A 99 107.103 0.061 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 99 108.890 2.061 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 99 107.191 2.516 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 99 106.279 1.609 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 99 106.863 -0.508 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 99 107.374 0.605 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 99 104.598 0.563 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 99 104.980 -0.073 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 99 104.179 2.101 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 99 105.915 2.335 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 105.791 3.676 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 104.815 2.593 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 104.107 3.689 2.092 1.00 0.00 H new ATOM 1644 N LYS A 100 109.649 -0.818 0.904 1.00 0.00 N ATOM 1645 CA LYS A 100 110.568 -1.562 1.812 1.00 0.00 C ATOM 1646 C LYS A 100 111.826 -0.729 2.068 1.00 0.00 C ATOM 1647 O LYS A 100 112.568 -1.076 2.971 1.00 0.00 O ATOM 1648 CB LYS A 100 110.947 -2.905 1.174 1.00 0.00 C ATOM 1649 CG LYS A 100 111.779 -2.677 -0.106 1.00 0.00 C ATOM 1650 CD LYS A 100 113.269 -2.368 0.227 1.00 0.00 C ATOM 1651 CE LYS A 100 114.196 -3.123 -0.736 1.00 0.00 C ATOM 1652 NZ LYS A 100 114.130 -4.583 -0.444 1.00 0.00 N ATOM 1653 OXT LYS A 100 112.025 0.241 1.355 1.00 0.00 O ATOM 0 H LYS A 100 109.292 -1.352 0.112 1.00 0.00 H new ATOM 0 HA LYS A 100 110.067 -1.748 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.517 -3.504 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 100 110.045 -3.468 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.723 -3.562 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.354 -1.850 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.451 -1.296 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 100 113.487 -2.658 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 100 113.899 -2.933 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 100 115.220 -2.765 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 115.010 -5.040 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.012 -4.727 0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 113.323 -5.002 -0.948 1.00 0.00 H new TER 1667 LYS A 100 ATOM 1668 N SER B 1 87.774 -17.849 10.222 1.00 0.00 N ATOM 1669 CA SER B 1 88.107 -17.723 8.775 1.00 0.00 C ATOM 1670 C SER B 1 88.441 -16.265 8.454 1.00 0.00 C ATOM 1671 O SER B 1 88.405 -15.845 7.315 1.00 0.00 O ATOM 1672 CB SER B 1 86.908 -18.166 7.936 1.00 0.00 C ATOM 1673 OG SER B 1 85.838 -17.250 8.128 1.00 0.00 O ATOM 0 H1 SER B 1 87.401 -18.801 10.411 1.00 0.00 H new ATOM 0 H2 SER B 1 88.631 -17.694 10.790 1.00 0.00 H new ATOM 0 H3 SER B 1 87.057 -17.140 10.476 1.00 0.00 H new ATOM 0 HA SER B 1 88.966 -18.353 8.544 1.00 0.00 H new ATOM 0 HB2 SER B 1 87.182 -18.207 6.882 1.00 0.00 H new ATOM 0 HB3 SER B 1 86.599 -19.171 8.224 1.00 0.00 H new ATOM 0 HG SER B 1 85.068 -17.529 7.590 1.00 0.00 H new ATOM 1681 N TRP B 2 88.765 -15.489 9.452 1.00 0.00 N ATOM 1682 CA TRP B 2 89.102 -14.058 9.207 1.00 0.00 C ATOM 1683 C TRP B 2 90.357 -13.973 8.329 1.00 0.00 C ATOM 1684 O TRP B 2 90.956 -14.970 7.978 1.00 0.00 O ATOM 1685 CB TRP B 2 89.366 -13.359 10.559 1.00 0.00 C ATOM 1686 CG TRP B 2 88.101 -12.778 11.107 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.339 -13.341 12.069 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.453 -11.527 10.749 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.260 -12.514 12.326 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.288 -11.381 11.536 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.761 -10.513 9.825 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.458 -10.266 11.413 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.929 -9.390 9.699 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.782 -9.267 10.491 1.00 0.00 C ATOM 0 H TRP B 2 88.811 -15.784 10.427 1.00 0.00 H new ATOM 0 HA TRP B 2 88.272 -13.566 8.699 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.782 -14.074 11.269 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.108 -12.571 10.429 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.539 -14.283 12.558 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.534 -12.716 13.013 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.643 -10.599 9.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.573 -10.176 12.025 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.175 -8.616 8.987 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.147 -8.400 10.390 1.00 0.00 H new ATOM 1705 N VAL B 3 90.758 -12.779 7.988 1.00 0.00 N ATOM 1706 CA VAL B 3 91.974 -12.589 7.151 1.00 0.00 C ATOM 1707 C VAL B 3 92.622 -11.259 7.544 1.00 0.00 C ATOM 1708 O VAL B 3 91.949 -10.268 7.750 1.00 0.00 O ATOM 1709 CB VAL B 3 91.585 -12.580 5.670 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.378 -11.672 5.471 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.763 -12.070 4.827 1.00 0.00 C ATOM 0 H VAL B 3 90.287 -11.916 8.258 1.00 0.00 H new ATOM 0 HA VAL B 3 92.680 -13.403 7.312 1.00 0.00 H new ATOM 0 HB VAL B 3 91.334 -13.593 5.354 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.099 -11.664 4.417 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.542 -12.042 6.065 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.628 -10.660 5.788 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.482 -12.065 3.774 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.022 -11.058 5.138 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.623 -12.724 4.970 1.00 0.00 H new HETATM 1721 N PTR B 4 93.926 -11.242 7.672 1.00 0.00 N HETATM 1722 CA PTR B 4 94.646 -9.992 8.082 1.00 0.00 C HETATM 1723 C PTR B 4 95.545 -9.516 6.934 1.00 0.00 C HETATM 1724 O PTR B 4 95.389 -9.923 5.800 1.00 0.00 O HETATM 1725 CB PTR B 4 95.507 -10.304 9.317 1.00 0.00 C HETATM 1726 CG PTR B 4 94.641 -10.338 10.563 1.00 0.00 C HETATM 1727 CD1 PTR B 4 93.619 -11.290 10.684 1.00 0.00 C HETATM 1728 CD2 PTR B 4 94.865 -9.420 11.601 1.00 0.00 C HETATM 1729 CE1 PTR B 4 92.826 -11.325 11.837 1.00 0.00 C HETATM 1730 CE2 PTR B 4 94.070 -9.456 12.753 1.00 0.00 C HETATM 1731 CZ PTR B 4 93.052 -10.409 12.871 1.00 0.00 C HETATM 1732 OH PTR B 4 92.214 -10.448 14.090 1.00 0.00 O HETATM 1733 P PTR B 4 92.820 -11.386 15.062 1.00 0.00 P HETATM 1734 O1P PTR B 4 94.235 -11.015 15.290 1.00 0.00 O HETATM 1735 O2P PTR B 4 92.752 -12.764 14.526 1.00 0.00 O HETATM 1736 O3P PTR B 4 92.080 -11.317 16.342 1.00 0.00 O HETATM 0 HE2 PTR B 4 94.244 -8.742 13.558 1.00 0.00 H new HETATM 0 HE1 PTR B 4 92.032 -12.066 11.930 1.00 0.00 H new HETATM 0 HD2 PTR B 4 95.659 -8.678 11.510 1.00 0.00 H new HETATM 0 HD1 PTR B 4 93.442 -12.004 9.879 1.00 0.00 H new HETATM 0 HB3 PTR B 4 96.008 -11.263 9.187 1.00 0.00 H new HETATM 0 HB2 PTR B 4 96.286 -9.549 9.427 1.00 0.00 H new HETATM 0 HA PTR B 4 93.927 -9.208 8.318 1.00 0.00 H new ATOM 1745 N SER B 5 96.487 -8.650 7.227 1.00 0.00 N ATOM 1746 CA SER B 5 97.411 -8.129 6.172 1.00 0.00 C ATOM 1747 C SER B 5 98.841 -8.091 6.753 1.00 0.00 C ATOM 1748 O SER B 5 98.994 -8.011 7.956 1.00 0.00 O ATOM 1749 CB SER B 5 96.962 -6.710 5.790 1.00 0.00 C ATOM 1750 OG SER B 5 97.733 -5.758 6.511 1.00 0.00 O ATOM 0 H SER B 5 96.655 -8.279 8.162 1.00 0.00 H new ATOM 0 HA SER B 5 97.394 -8.766 5.288 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.083 -6.555 4.718 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.903 -6.580 6.013 1.00 0.00 H new ATOM 0 HG SER B 5 97.137 -5.186 7.038 1.00 0.00 H new ATOM 1756 N PRO B 6 99.855 -8.146 5.907 1.00 0.00 N ATOM 1757 CA PRO B 6 101.251 -8.113 6.389 1.00 0.00 C ATOM 1758 C PRO B 6 101.526 -6.789 7.122 1.00 0.00 C ATOM 1759 O PRO B 6 102.416 -6.700 7.944 1.00 0.00 O ATOM 1760 CB PRO B 6 102.117 -8.239 5.114 1.00 0.00 C ATOM 1761 CG PRO B 6 101.155 -8.163 3.893 1.00 0.00 C ATOM 1762 CD PRO B 6 99.712 -8.244 4.437 1.00 0.00 C ATOM 0 HA PRO B 6 101.468 -8.911 7.099 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.857 -7.439 5.071 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.665 -9.181 5.113 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.306 -7.235 3.342 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.350 -8.981 3.199 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.096 -7.435 4.045 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.232 -9.179 4.148 1.00 0.00 H new ATOM 1770 N LEU B 7 100.773 -5.762 6.827 1.00 0.00 N ATOM 1771 CA LEU B 7 100.999 -4.454 7.503 1.00 0.00 C ATOM 1772 C LEU B 7 101.128 -4.672 9.012 1.00 0.00 C ATOM 1773 O LEU B 7 100.206 -5.114 9.667 1.00 0.00 O ATOM 1774 CB LEU B 7 99.816 -3.516 7.222 1.00 0.00 C ATOM 1775 CG LEU B 7 99.727 -3.197 5.713 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.282 -2.835 5.345 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.640 -2.009 5.368 1.00 0.00 C ATOM 0 H LEU B 7 100.012 -5.774 6.148 1.00 0.00 H new ATOM 0 HA LEU B 7 101.916 -4.006 7.121 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.888 -3.980 7.557 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.933 -2.592 7.789 1.00 0.00 H new ATOM 0 HG LEU B 7 100.045 -4.076 5.152 1.00 0.00 H new ATOM 0 HD11 LEU B 7 98.223 -2.611 4.280 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.627 -3.675 5.576 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.969 -1.962 5.918 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.569 -1.793 4.302 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.328 -1.133 5.937 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.671 -2.257 5.620 1.00 0.00 H new ATOM 1789 N HIS B 8 102.269 -4.365 9.566 1.00 0.00 N ATOM 1790 CA HIS B 8 102.464 -4.552 11.028 1.00 0.00 C ATOM 1791 C HIS B 8 101.594 -3.551 11.791 1.00 0.00 C ATOM 1792 O HIS B 8 100.565 -3.961 12.304 1.00 0.00 O ATOM 1793 CB HIS B 8 103.936 -4.317 11.373 1.00 0.00 C ATOM 1794 CG HIS B 8 104.427 -3.079 10.673 1.00 0.00 C ATOM 1795 ND1 HIS B 8 104.228 -1.809 11.191 1.00 0.00 N ATOM 1796 CD2 HIS B 8 105.112 -2.901 9.496 1.00 0.00 C ATOM 1797 CE1 HIS B 8 104.783 -0.930 10.335 1.00 0.00 C ATOM 1798 NE2 HIS B 8 105.335 -1.543 9.285 1.00 0.00 N ATOM 1799 OXT HIS B 8 101.970 -2.392 11.850 1.00 0.00 O ATOM 0 H HIS B 8 103.076 -3.992 9.066 1.00 0.00 H new ATOM 0 HA HIS B 8 102.179 -5.566 11.309 1.00 0.00 H new ATOM 0 HB2 HIS B 8 104.054 -4.209 12.451 1.00 0.00 H new ATOM 0 HB3 HIS B 8 104.533 -5.178 11.072 1.00 0.00 H new ATOM 0 HD1 HIS B 8 103.748 -1.582 12.062 1.00 0.00 H new ATOM 0 HD2 HIS B 8 105.429 -3.694 8.835 1.00 0.00 H new ATOM 0 HE1 HIS B 8 104.782 0.140 10.480 1.00 0.00 H new TER 1807 HIS B 8