USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot 180:sc= -0.726 USER MOD Set 1.2: A 80 MET CE :methyl -174:sc= -0.153 (180deg=-0.201) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -3! K(o=-8!,f=-2.6) USER MOD Set 2.2: A 56 ASN : amide:sc= -5! K(o=-8!,f=-2.6) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -84:sc= 0.727 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -26:sc= 0.826 USER MOD Single : A 14 CYS SG : rot -124:sc= 0.329 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.367 USER MOD Single : A 18 HIS : no HE2:sc= -1.95! C(o=-1.9!,f=-8.3!) USER MOD Single : A 19 THR OG1 : rot -44:sc= 0.289 USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= -0.0602 (180deg=-0.42) USER MOD Single : A 26 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.64! C(o=-4.6!,f=-5.6!) USER MOD Single : A 33 HIS : no HD1:sc= -7.97! C(o=-8!,f=-8!) USER MOD Single : A 40 SER OG : rot 165:sc= 0.128 USER MOD Single : A 42 GLN : amide:sc= -10.5! C(o=-10!,f=-5.8!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 49 THR OG1 : rot 132:sc= -1.79 USER MOD Single : A 52 ASN : amide:sc= -4.85! K(o=-4.8!,f=-2.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -1.08! (180deg=-2.6!) USER MOD Single : A 62 ASN : amide:sc=-0.00331 K(o=-0.0033,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -1.82! C(o=-1.8!,f=-3.5!) USER MOD Single : A 64 MET CE :methyl -147:sc=-0.00141 (180deg=-0.767) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 70 ASN : amide:sc= -2.62! C(o=-2.6!,f=-4.1!) USER MOD Single : A 71 HIS : no HD1:sc= -3.74! K(o=-3.7!,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 119:sc= 0.633 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 139:sc= -0.152 (180deg=-0.979) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= -0.128 (180deg=-0.872) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 135:sc= -1.66! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -129:sc= -0.635 (180deg=-1.43!) USER MOD Single : A 102 THR OG1 : rot -129:sc= -0.968 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 13.205 -4.629 -3.795 1.00 0.00 N ATOM 33 CA PHE A -3 12.394 -5.220 -2.694 1.00 0.00 C ATOM 34 C PHE A -3 12.389 -6.747 -2.823 1.00 0.00 C ATOM 35 O PHE A -3 12.028 -7.293 -3.845 1.00 0.00 O ATOM 36 CB PHE A -3 10.962 -4.687 -2.791 1.00 0.00 C ATOM 37 CG PHE A -3 10.013 -5.606 -2.058 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.348 -6.106 -0.793 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.793 -5.956 -2.648 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.462 -6.956 -0.122 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.907 -6.805 -1.974 1.00 0.00 C ATOM 42 CZ PHE A -3 8.241 -7.305 -0.712 1.00 0.00 C ATOM 0 H1 PHE A -3 13.208 -3.593 -3.706 1.00 0.00 H new ATOM 0 H2 PHE A -3 14.181 -4.984 -3.737 1.00 0.00 H new ATOM 0 H3 PHE A -3 12.793 -4.897 -4.712 1.00 0.00 H new ATOM 0 HA PHE A -3 12.823 -4.946 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.910 -3.684 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.666 -4.606 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A -3 11.289 -5.836 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.535 -5.571 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.720 -7.343 0.852 1.00 0.00 H new ATOM 0 HE2 PHE A -3 6.965 -7.074 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.558 -7.960 -0.192 1.00 0.00 H new ATOM 52 N LYS A -2 12.796 -7.438 -1.791 1.00 0.00 N ATOM 53 CA LYS A -2 12.823 -8.926 -1.851 1.00 0.00 C ATOM 54 C LYS A -2 11.522 -9.494 -1.279 1.00 0.00 C ATOM 55 O LYS A -2 10.661 -9.955 -2.001 1.00 0.00 O ATOM 56 CB LYS A -2 14.005 -9.446 -1.030 1.00 0.00 C ATOM 57 CG LYS A -2 15.314 -8.964 -1.657 1.00 0.00 C ATOM 58 CD LYS A -2 16.496 -9.579 -0.904 1.00 0.00 C ATOM 59 CE LYS A -2 17.805 -9.003 -1.450 1.00 0.00 C ATOM 60 NZ LYS A -2 18.849 -10.065 -1.457 1.00 0.00 N ATOM 0 H LYS A -2 13.111 -7.034 -0.909 1.00 0.00 H new ATOM 0 HA LYS A -2 12.928 -9.241 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A -2 13.930 -9.093 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A -2 13.986 -10.535 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A -2 15.352 -9.247 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.370 -7.876 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.411 -9.369 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.488 -10.663 -1.017 1.00 0.00 H new ATOM 0 HE2 LYS A -2 17.653 -8.620 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A -2 18.129 -8.163 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 19.739 -9.675 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 19.000 -10.410 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 18.539 -10.853 -2.061 1.00 0.00 H new ATOM 74 N ALA A -1 11.380 -9.468 0.016 1.00 0.00 N ATOM 75 CA ALA A -1 10.146 -10.009 0.649 1.00 0.00 C ATOM 76 C ALA A -1 10.227 -9.807 2.164 1.00 0.00 C ATOM 77 O ALA A -1 9.996 -8.726 2.668 1.00 0.00 O ATOM 78 CB ALA A -1 10.028 -11.503 0.340 1.00 0.00 C ATOM 0 H ALA A -1 12.070 -9.093 0.667 1.00 0.00 H new ATOM 0 HA ALA A -1 9.273 -9.487 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A -1 9.125 -11.900 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A -1 9.977 -11.648 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.899 -12.026 0.736 1.00 0.00 H new ATOM 84 N GLY A 1 10.557 -10.841 2.892 1.00 0.00 N ATOM 85 CA GLY A 1 10.657 -10.716 4.376 1.00 0.00 C ATOM 86 C GLY A 1 9.594 -11.598 5.031 1.00 0.00 C ATOM 87 O GLY A 1 9.136 -12.564 4.454 1.00 0.00 O ATOM 0 H GLY A 1 10.762 -11.769 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.650 -11.014 4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.518 -9.677 4.675 1.00 0.00 H new ATOM 91 N SER A 2 9.193 -11.270 6.232 1.00 0.00 N ATOM 92 CA SER A 2 8.155 -12.087 6.924 1.00 0.00 C ATOM 93 C SER A 2 6.879 -11.258 7.077 1.00 0.00 C ATOM 94 O SER A 2 6.915 -10.112 7.478 1.00 0.00 O ATOM 95 CB SER A 2 8.666 -12.493 8.306 1.00 0.00 C ATOM 96 OG SER A 2 7.723 -13.364 8.917 1.00 0.00 O ATOM 0 H SER A 2 9.540 -10.471 6.763 1.00 0.00 H new ATOM 0 HA SER A 2 7.942 -12.981 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.633 -12.989 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.816 -11.609 8.925 1.00 0.00 H new ATOM 0 HG SER A 2 8.048 -13.628 9.803 1.00 0.00 H new ATOM 102 N ALA A 3 5.750 -11.829 6.757 1.00 0.00 N ATOM 103 CA ALA A 3 4.473 -11.074 6.881 1.00 0.00 C ATOM 104 C ALA A 3 4.171 -10.803 8.356 1.00 0.00 C ATOM 105 O ALA A 3 3.613 -9.782 8.707 1.00 0.00 O ATOM 106 CB ALA A 3 3.336 -11.896 6.271 1.00 0.00 C ATOM 0 H ALA A 3 5.658 -12.786 6.415 1.00 0.00 H new ATOM 0 HA ALA A 3 4.564 -10.125 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.400 -11.345 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.547 -12.084 5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.250 -12.846 6.799 1.00 0.00 H new ATOM 112 N LYS A 4 4.524 -11.713 9.222 1.00 0.00 N ATOM 113 CA LYS A 4 4.247 -11.511 10.670 1.00 0.00 C ATOM 114 C LYS A 4 4.950 -10.245 11.146 1.00 0.00 C ATOM 115 O LYS A 4 4.357 -9.379 11.757 1.00 0.00 O ATOM 116 CB LYS A 4 4.795 -12.703 11.450 1.00 0.00 C ATOM 117 CG LYS A 4 4.237 -13.992 10.856 1.00 0.00 C ATOM 118 CD LYS A 4 4.587 -15.170 11.767 1.00 0.00 C ATOM 119 CE LYS A 4 6.107 -15.323 11.844 1.00 0.00 C ATOM 120 NZ LYS A 4 6.458 -16.770 11.886 1.00 0.00 N ATOM 0 H LYS A 4 4.993 -12.588 8.988 1.00 0.00 H new ATOM 0 HA LYS A 4 3.173 -11.419 10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.884 -12.711 11.407 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.518 -12.623 12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.156 -13.914 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.650 -14.154 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.177 -15.007 12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.138 -16.086 11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.575 -14.849 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.490 -14.819 12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.491 -16.875 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.022 -17.209 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.106 -17.238 11.027 1.00 0.00 H new ATOM 134 N LYS A 5 6.216 -10.138 10.868 1.00 0.00 N ATOM 135 CA LYS A 5 6.978 -8.934 11.298 1.00 0.00 C ATOM 136 C LYS A 5 6.406 -7.693 10.609 1.00 0.00 C ATOM 137 O LYS A 5 6.241 -6.655 11.218 1.00 0.00 O ATOM 138 CB LYS A 5 8.446 -9.105 10.913 1.00 0.00 C ATOM 139 CG LYS A 5 9.054 -10.260 11.712 1.00 0.00 C ATOM 140 CD LYS A 5 10.552 -10.354 11.417 1.00 0.00 C ATOM 141 CE LYS A 5 11.142 -11.567 12.140 1.00 0.00 C ATOM 142 NZ LYS A 5 11.801 -11.121 13.400 1.00 0.00 N ATOM 0 H LYS A 5 6.760 -10.835 10.359 1.00 0.00 H new ATOM 0 HA LYS A 5 6.896 -8.814 12.378 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.532 -9.304 9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.994 -8.184 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.892 -10.103 12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.562 -11.196 11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.717 -10.442 10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.055 -9.444 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.356 -12.288 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.864 -12.071 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.202 -11.945 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.561 -10.448 13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.100 -10.659 14.014 1.00 0.00 H new ATOM 156 N GLY A 6 6.103 -7.793 9.345 1.00 0.00 N ATOM 157 CA GLY A 6 5.541 -6.620 8.617 1.00 0.00 C ATOM 158 C GLY A 6 4.187 -6.246 9.219 1.00 0.00 C ATOM 159 O GLY A 6 3.828 -5.087 9.292 1.00 0.00 O ATOM 0 H GLY A 6 6.220 -8.637 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.226 -5.775 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.428 -6.856 7.559 1.00 0.00 H new ATOM 163 N ALA A 7 3.429 -7.218 9.645 1.00 0.00 N ATOM 164 CA ALA A 7 2.095 -6.919 10.236 1.00 0.00 C ATOM 165 C ALA A 7 2.265 -6.035 11.471 1.00 0.00 C ATOM 166 O ALA A 7 1.494 -5.128 11.706 1.00 0.00 O ATOM 167 CB ALA A 7 1.408 -8.226 10.636 1.00 0.00 C ATOM 0 H ALA A 7 3.676 -8.207 9.609 1.00 0.00 H new ATOM 0 HA ALA A 7 1.484 -6.397 9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.432 -8.006 11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.281 -8.855 9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.021 -8.749 11.370 1.00 0.00 H new ATOM 173 N THR A 8 3.270 -6.286 12.262 1.00 0.00 N ATOM 174 CA THR A 8 3.481 -5.452 13.474 1.00 0.00 C ATOM 175 C THR A 8 3.687 -4.002 13.050 1.00 0.00 C ATOM 176 O THR A 8 3.092 -3.088 13.585 1.00 0.00 O ATOM 177 CB THR A 8 4.729 -5.941 14.204 1.00 0.00 C ATOM 178 OG1 THR A 8 5.877 -5.647 13.419 1.00 0.00 O ATOM 179 CG2 THR A 8 4.636 -7.449 14.422 1.00 0.00 C ATOM 0 H THR A 8 3.952 -7.031 12.121 1.00 0.00 H new ATOM 0 HA THR A 8 2.615 -5.526 14.131 1.00 0.00 H new ATOM 0 HB THR A 8 4.806 -5.440 15.169 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.008 -6.355 12.754 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.528 -7.797 14.943 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.754 -7.676 15.020 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.560 -7.952 13.458 1.00 0.00 H new ATOM 187 N LEU A 9 4.527 -3.796 12.080 1.00 0.00 N ATOM 188 CA LEU A 9 4.786 -2.414 11.591 1.00 0.00 C ATOM 189 C LEU A 9 3.476 -1.810 11.087 1.00 0.00 C ATOM 190 O LEU A 9 3.144 -0.678 11.370 1.00 0.00 O ATOM 191 CB LEU A 9 5.777 -2.484 10.435 1.00 0.00 C ATOM 192 CG LEU A 9 6.310 -1.084 10.133 1.00 0.00 C ATOM 193 CD1 LEU A 9 7.491 -0.767 11.054 1.00 0.00 C ATOM 194 CD2 LEU A 9 6.771 -1.030 8.680 1.00 0.00 C ATOM 0 H LEU A 9 5.050 -4.529 11.600 1.00 0.00 H new ATOM 0 HA LEU A 9 5.190 -1.800 12.396 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.601 -3.151 10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.292 -2.898 9.551 1.00 0.00 H new ATOM 0 HG LEU A 9 5.521 -0.351 10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.866 0.232 10.834 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.164 -0.811 12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.285 -1.496 10.892 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.153 -0.034 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.560 -1.765 8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.930 -1.252 8.023 1.00 0.00 H new ATOM 206 N PHE A 10 2.735 -2.573 10.336 1.00 0.00 N ATOM 207 CA PHE A 10 1.439 -2.080 9.787 1.00 0.00 C ATOM 208 C PHE A 10 0.486 -1.722 10.936 1.00 0.00 C ATOM 209 O PHE A 10 -0.150 -0.687 10.930 1.00 0.00 O ATOM 210 CB PHE A 10 0.818 -3.198 8.938 1.00 0.00 C ATOM 211 CG PHE A 10 -0.363 -2.679 8.150 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.646 -2.687 8.712 1.00 0.00 C ATOM 213 CD2 PHE A 10 -0.173 -2.196 6.850 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.737 -2.211 7.971 1.00 0.00 C ATOM 215 CE2 PHE A 10 -1.262 -1.722 6.111 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.544 -1.728 6.670 1.00 0.00 C ATOM 0 H PHE A 10 2.974 -3.530 10.075 1.00 0.00 H new ATOM 0 HA PHE A 10 1.607 -1.191 9.180 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.567 -3.602 8.257 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.499 -4.017 9.583 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.795 -3.059 9.715 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.816 -2.189 6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.727 -2.217 8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.113 -1.351 5.108 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.384 -1.361 6.099 1.00 0.00 H new ATOM 226 N LYS A 11 0.371 -2.584 11.912 1.00 0.00 N ATOM 227 CA LYS A 11 -0.549 -2.319 13.054 1.00 0.00 C ATOM 228 C LYS A 11 -0.112 -1.089 13.857 1.00 0.00 C ATOM 229 O LYS A 11 -0.934 -0.373 14.390 1.00 0.00 O ATOM 230 CB LYS A 11 -0.572 -3.541 13.972 1.00 0.00 C ATOM 231 CG LYS A 11 -1.256 -4.707 13.254 1.00 0.00 C ATOM 232 CD LYS A 11 -1.368 -5.898 14.209 1.00 0.00 C ATOM 233 CE LYS A 11 -1.952 -7.098 13.459 1.00 0.00 C ATOM 234 NZ LYS A 11 -1.564 -8.356 14.159 1.00 0.00 N ATOM 0 H LYS A 11 0.880 -3.467 11.966 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.543 -2.123 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.444 -3.818 14.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.103 -3.306 14.894 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.246 -4.407 12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.685 -4.989 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.387 -6.149 14.611 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.003 -5.640 15.056 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.038 -7.016 13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.586 -7.112 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.960 -9.172 13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.527 -8.434 14.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.934 -8.341 15.131 1.00 0.00 H new ATOM 248 N THR A 12 1.164 -0.848 13.980 1.00 0.00 N ATOM 249 CA THR A 12 1.615 0.327 14.787 1.00 0.00 C ATOM 250 C THR A 12 1.957 1.512 13.884 1.00 0.00 C ATOM 251 O THR A 12 2.235 2.595 14.359 1.00 0.00 O ATOM 252 CB THR A 12 2.850 -0.060 15.603 1.00 0.00 C ATOM 253 OG1 THR A 12 3.330 1.082 16.300 1.00 0.00 O ATOM 254 CG2 THR A 12 3.941 -0.584 14.669 1.00 0.00 C ATOM 0 H THR A 12 1.909 -1.406 13.563 1.00 0.00 H new ATOM 0 HA THR A 12 0.803 0.621 15.452 1.00 0.00 H new ATOM 0 HB THR A 12 2.583 -0.839 16.317 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.064 1.894 15.820 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.819 -0.859 15.253 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.573 -1.459 14.134 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.210 0.192 13.953 1.00 0.00 H new ATOM 262 N ARG A 13 1.944 1.330 12.594 1.00 0.00 N ATOM 263 CA ARG A 13 2.276 2.466 11.690 1.00 0.00 C ATOM 264 C ARG A 13 1.318 2.486 10.502 1.00 0.00 C ATOM 265 O ARG A 13 1.554 3.165 9.523 1.00 0.00 O ATOM 266 CB ARG A 13 3.709 2.310 11.181 1.00 0.00 C ATOM 267 CG ARG A 13 4.669 2.317 12.371 1.00 0.00 C ATOM 268 CD ARG A 13 6.111 2.394 11.865 1.00 0.00 C ATOM 269 NE ARG A 13 6.359 3.738 11.274 1.00 0.00 N ATOM 270 CZ ARG A 13 6.588 4.761 12.052 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.600 4.604 13.348 1.00 0.00 N ATOM 272 NH2 ARG A 13 6.805 5.939 11.535 1.00 0.00 N ATOM 0 H ARG A 13 1.720 0.451 12.128 1.00 0.00 H new ATOM 0 HA ARG A 13 2.181 3.400 12.243 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.810 1.379 10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.955 3.121 10.496 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.454 3.166 13.020 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.530 1.416 12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.806 2.212 12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.288 1.619 11.119 1.00 0.00 H new ATOM 0 HE ARG A 13 6.350 3.859 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.431 3.683 13.752 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.779 5.403 13.957 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.796 6.061 10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.984 6.738 12.143 1.00 0.00 H new ATOM 286 N CYS A 14 0.250 1.742 10.562 1.00 0.00 N ATOM 287 CA CYS A 14 -0.689 1.730 9.408 1.00 0.00 C ATOM 288 C CYS A 14 -1.951 0.941 9.761 1.00 0.00 C ATOM 289 O CYS A 14 -2.135 -0.178 9.333 1.00 0.00 O ATOM 290 CB CYS A 14 0.018 1.072 8.226 1.00 0.00 C ATOM 291 SG CYS A 14 -0.650 1.708 6.670 1.00 0.00 S ATOM 0 H CYS A 14 -0.011 1.149 11.350 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.981 2.749 9.156 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.089 1.268 8.278 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.111 -0.009 8.271 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.069 0.717 5.940 1.00 0.00 H new ATOM 296 N LEU A 15 -2.831 1.520 10.526 1.00 0.00 N ATOM 297 CA LEU A 15 -4.087 0.805 10.885 1.00 0.00 C ATOM 298 C LEU A 15 -5.222 1.819 11.023 1.00 0.00 C ATOM 299 O LEU A 15 -6.358 1.540 10.701 1.00 0.00 O ATOM 300 CB LEU A 15 -3.905 0.046 12.202 1.00 0.00 C ATOM 301 CG LEU A 15 -3.524 1.010 13.329 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.474 0.238 14.648 1.00 0.00 C ATOM 303 CD2 LEU A 15 -2.149 1.624 13.054 1.00 0.00 C ATOM 0 H LEU A 15 -2.736 2.457 10.919 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.330 0.088 10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.827 -0.476 12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.131 -0.713 12.087 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.265 1.807 13.387 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.203 0.917 15.457 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.452 -0.198 14.852 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.731 -0.556 14.577 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.888 2.308 13.862 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.402 0.832 12.993 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.176 2.170 12.111 1.00 0.00 H new ATOM 315 N GLN A 16 -4.921 2.996 11.492 1.00 0.00 N ATOM 316 CA GLN A 16 -5.978 4.032 11.642 1.00 0.00 C ATOM 317 C GLN A 16 -6.542 4.392 10.265 1.00 0.00 C ATOM 318 O GLN A 16 -7.706 4.711 10.124 1.00 0.00 O ATOM 319 CB GLN A 16 -5.374 5.282 12.284 1.00 0.00 C ATOM 320 CG GLN A 16 -4.270 5.841 11.380 1.00 0.00 C ATOM 321 CD GLN A 16 -3.655 7.080 12.032 1.00 0.00 C ATOM 322 OE1 GLN A 16 -2.801 6.969 12.889 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.053 8.265 11.658 1.00 0.00 N ATOM 0 H GLN A 16 -3.986 3.286 11.779 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.779 3.645 12.273 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.148 6.034 12.438 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.966 5.039 13.265 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.502 5.085 11.215 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.680 6.097 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.770 8.359 10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.647 9.098 12.085 1.00 0.00 H new ATOM 332 N CYS A 17 -5.720 4.356 9.252 1.00 0.00 N ATOM 333 CA CYS A 17 -6.201 4.713 7.886 1.00 0.00 C ATOM 334 C CYS A 17 -6.744 3.474 7.175 1.00 0.00 C ATOM 335 O CYS A 17 -7.910 3.149 7.274 1.00 0.00 O ATOM 336 CB CYS A 17 -5.036 5.281 7.077 1.00 0.00 C ATOM 337 SG CYS A 17 -4.559 6.892 7.744 1.00 0.00 S ATOM 0 H CYS A 17 -4.736 4.095 9.311 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.997 5.453 7.972 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.188 4.597 7.112 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.322 5.380 6.030 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.566 7.370 7.054 1.00 0.00 H new ATOM 342 N HIS A 18 -5.908 2.787 6.447 1.00 0.00 N ATOM 343 CA HIS A 18 -6.377 1.574 5.717 1.00 0.00 C ATOM 344 C HIS A 18 -7.058 0.618 6.693 1.00 0.00 C ATOM 345 O HIS A 18 -8.035 -0.024 6.366 1.00 0.00 O ATOM 346 CB HIS A 18 -5.185 0.873 5.054 1.00 0.00 C ATOM 347 CG HIS A 18 -4.669 1.723 3.926 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.141 1.596 2.624 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.729 2.718 3.889 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.485 2.498 1.865 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.620 3.201 2.592 1.00 0.00 N ATOM 0 H HIS A 18 -4.921 3.012 6.325 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.090 1.872 4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.396 0.703 5.786 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.487 -0.105 4.678 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.853 0.941 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.161 3.072 4.737 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.642 2.632 0.805 1.00 0.00 H new ATOM 359 N THR A 19 -6.554 0.514 7.890 1.00 0.00 N ATOM 360 CA THR A 19 -7.177 -0.405 8.880 1.00 0.00 C ATOM 361 C THR A 19 -7.532 -1.722 8.193 1.00 0.00 C ATOM 362 O THR A 19 -8.669 -2.151 8.201 1.00 0.00 O ATOM 363 CB THR A 19 -8.453 0.224 9.443 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.304 1.635 9.504 1.00 0.00 O ATOM 365 CG2 THR A 19 -8.712 -0.332 10.843 1.00 0.00 C ATOM 0 H THR A 19 -5.738 1.026 8.225 1.00 0.00 H new ATOM 0 HA THR A 19 -6.473 -0.586 9.692 1.00 0.00 H new ATOM 0 HB THR A 19 -9.296 -0.016 8.795 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.417 1.855 9.857 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.620 0.113 11.249 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.831 -1.414 10.788 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.869 -0.092 11.491 1.00 0.00 H new ATOM 373 N VAL A 20 -6.574 -2.367 7.591 1.00 0.00 N ATOM 374 CA VAL A 20 -6.870 -3.649 6.900 1.00 0.00 C ATOM 375 C VAL A 20 -7.635 -4.569 7.852 1.00 0.00 C ATOM 376 O VAL A 20 -8.612 -5.183 7.473 1.00 0.00 O ATOM 377 CB VAL A 20 -5.558 -4.312 6.488 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.826 -5.737 6.008 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.916 -3.511 5.352 1.00 0.00 C ATOM 0 H VAL A 20 -5.602 -2.062 7.548 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.475 -3.461 6.013 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.886 -4.339 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.886 -6.205 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.283 -6.312 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.501 -5.712 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.979 -3.984 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.593 -3.484 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.718 -2.494 5.691 1.00 0.00 H new ATOM 389 N GLU A 21 -7.200 -4.650 9.087 1.00 0.00 N ATOM 390 CA GLU A 21 -7.887 -5.517 10.096 1.00 0.00 C ATOM 391 C GLU A 21 -8.499 -6.741 9.401 1.00 0.00 C ATOM 392 O GLU A 21 -9.533 -7.239 9.795 1.00 0.00 O ATOM 393 CB GLU A 21 -8.989 -4.710 10.788 1.00 0.00 C ATOM 394 CG GLU A 21 -9.404 -5.401 12.092 1.00 0.00 C ATOM 395 CD GLU A 21 -10.570 -4.638 12.724 1.00 0.00 C ATOM 396 OE1 GLU A 21 -11.005 -3.664 12.133 1.00 0.00 O ATOM 397 OE2 GLU A 21 -11.008 -5.042 13.788 1.00 0.00 O ATOM 0 H GLU A 21 -6.388 -4.146 9.443 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.163 -5.856 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.635 -3.701 10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.851 -4.614 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.695 -6.432 11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.561 -5.435 12.782 1.00 0.00 H new ATOM 404 N LYS A 22 -7.871 -7.218 8.361 1.00 0.00 N ATOM 405 CA LYS A 22 -8.419 -8.399 7.635 1.00 0.00 C ATOM 406 C LYS A 22 -9.825 -8.077 7.132 1.00 0.00 C ATOM 407 O LYS A 22 -10.761 -8.822 7.347 1.00 0.00 O ATOM 408 CB LYS A 22 -8.466 -9.603 8.569 1.00 0.00 C ATOM 409 CG LYS A 22 -7.101 -9.780 9.234 1.00 0.00 C ATOM 410 CD LYS A 22 -6.018 -9.966 8.168 1.00 0.00 C ATOM 411 CE LYS A 22 -4.751 -10.509 8.825 1.00 0.00 C ATOM 412 NZ LYS A 22 -4.953 -11.938 9.192 1.00 0.00 N ATOM 0 H LYS A 22 -7.002 -6.841 7.983 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.776 -8.634 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.237 -9.460 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.730 -10.501 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.872 -8.910 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.121 -10.644 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.365 -10.654 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.808 -9.016 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.906 -10.414 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.511 -9.925 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.030 -12.411 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.447 -11.995 10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.524 -12.407 8.460 1.00 0.00 H new ATOM 426 N GLY A 23 -9.980 -6.968 6.463 1.00 0.00 N ATOM 427 CA GLY A 23 -11.326 -6.590 5.943 1.00 0.00 C ATOM 428 C GLY A 23 -12.043 -5.701 6.963 1.00 0.00 C ATOM 429 O GLY A 23 -13.109 -6.031 7.445 1.00 0.00 O ATOM 0 H GLY A 23 -9.233 -6.306 6.253 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.225 -6.063 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.916 -7.486 5.749 1.00 0.00 H new ATOM 433 N GLY A 24 -11.466 -4.576 7.293 1.00 0.00 N ATOM 434 CA GLY A 24 -12.110 -3.662 8.282 1.00 0.00 C ATOM 435 C GLY A 24 -12.620 -2.409 7.563 1.00 0.00 C ATOM 436 O GLY A 24 -12.437 -2.250 6.373 1.00 0.00 O ATOM 0 H GLY A 24 -10.575 -4.250 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.936 -4.171 8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.395 -3.384 9.056 1.00 0.00 H new ATOM 440 N PRO A 25 -13.256 -1.526 8.287 1.00 0.00 N ATOM 441 CA PRO A 25 -13.808 -0.261 7.718 1.00 0.00 C ATOM 442 C PRO A 25 -12.767 0.502 6.893 1.00 0.00 C ATOM 443 O PRO A 25 -11.594 0.515 7.213 1.00 0.00 O ATOM 444 CB PRO A 25 -14.214 0.552 8.948 1.00 0.00 C ATOM 445 CG PRO A 25 -14.430 -0.447 10.036 1.00 0.00 C ATOM 446 CD PRO A 25 -13.521 -1.639 9.730 1.00 0.00 C ATOM 0 HA PRO A 25 -14.635 -0.454 7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.437 1.266 9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.121 1.126 8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.189 -0.017 11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.474 -0.757 10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.599 -1.596 10.309 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.007 -2.584 9.973 1.00 0.00 H new ATOM 454 N HIS A 26 -13.187 1.130 5.829 1.00 0.00 N ATOM 455 CA HIS A 26 -12.224 1.885 4.978 1.00 0.00 C ATOM 456 C HIS A 26 -11.854 3.214 5.639 1.00 0.00 C ATOM 457 O HIS A 26 -10.838 3.802 5.337 1.00 0.00 O ATOM 458 CB HIS A 26 -12.859 2.177 3.619 1.00 0.00 C ATOM 459 CG HIS A 26 -13.125 0.889 2.893 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.109 0.005 2.557 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.284 0.326 2.420 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.672 -1.032 1.909 1.00 0.00 C ATOM 463 NE2 HIS A 26 -13.993 -0.884 1.800 1.00 0.00 N ATOM 0 H HIS A 26 -14.156 1.153 5.512 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.326 1.279 4.853 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.790 2.728 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.197 2.809 3.027 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.270 0.757 2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.122 -1.879 1.525 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.651 -1.524 1.355 1.00 0.00 H new ATOM 472 N LYS A 27 -12.668 3.707 6.524 1.00 0.00 N ATOM 473 CA LYS A 27 -12.342 5.009 7.166 1.00 0.00 C ATOM 474 C LYS A 27 -11.895 6.000 6.083 1.00 0.00 C ATOM 475 O LYS A 27 -12.591 6.224 5.114 1.00 0.00 O ATOM 476 CB LYS A 27 -11.219 4.815 8.188 1.00 0.00 C ATOM 477 CG LYS A 27 -11.711 3.911 9.319 1.00 0.00 C ATOM 478 CD LYS A 27 -10.639 3.827 10.408 1.00 0.00 C ATOM 479 CE LYS A 27 -11.084 2.839 11.489 1.00 0.00 C ATOM 480 NZ LYS A 27 -10.470 3.223 12.791 1.00 0.00 N ATOM 0 H LYS A 27 -13.538 3.271 6.830 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.222 5.398 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.347 4.372 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.906 5.779 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.638 4.304 9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.932 2.916 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.691 3.507 9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.473 4.811 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.171 2.839 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.785 1.827 11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.771 2.553 13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.434 3.202 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.776 4.183 13.050 1.00 0.00 H new ATOM 494 N VAL A 28 -10.746 6.603 6.238 1.00 0.00 N ATOM 495 CA VAL A 28 -10.277 7.582 5.213 1.00 0.00 C ATOM 496 C VAL A 28 -9.564 6.867 4.055 1.00 0.00 C ATOM 497 O VAL A 28 -9.749 7.211 2.904 1.00 0.00 O ATOM 498 CB VAL A 28 -9.314 8.579 5.862 1.00 0.00 C ATOM 499 CG1 VAL A 28 -7.927 7.947 5.991 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.221 9.835 4.993 1.00 0.00 C ATOM 0 H VAL A 28 -10.114 6.461 7.026 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.146 8.106 4.815 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.683 8.845 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.244 8.660 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.991 7.052 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.556 7.678 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.536 10.546 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.853 9.566 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.208 10.289 4.903 1.00 0.00 H new ATOM 510 N GLY A 29 -8.741 5.891 4.344 1.00 0.00 N ATOM 511 CA GLY A 29 -8.010 5.183 3.248 1.00 0.00 C ATOM 512 C GLY A 29 -8.630 3.800 3.008 1.00 0.00 C ATOM 513 O GLY A 29 -9.203 3.210 3.897 1.00 0.00 O ATOM 0 H GLY A 29 -8.544 5.555 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.052 5.773 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.958 5.078 3.511 1.00 0.00 H new ATOM 517 N PRO A 30 -8.514 3.284 1.809 1.00 0.00 N ATOM 518 CA PRO A 30 -9.077 1.949 1.455 1.00 0.00 C ATOM 519 C PRO A 30 -8.546 0.833 2.358 1.00 0.00 C ATOM 520 O PRO A 30 -7.454 0.907 2.884 1.00 0.00 O ATOM 521 CB PRO A 30 -8.650 1.713 0.001 1.00 0.00 C ATOM 522 CG PRO A 30 -7.642 2.767 -0.327 1.00 0.00 C ATOM 523 CD PRO A 30 -7.833 3.912 0.669 1.00 0.00 C ATOM 0 HA PRO A 30 -10.159 1.936 1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.223 0.718 -0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.507 1.775 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.631 2.365 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.777 3.121 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.878 4.347 0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.431 4.717 0.241 1.00 0.00 H new ATOM 531 N ASN A 31 -9.321 -0.202 2.543 1.00 0.00 N ATOM 532 CA ASN A 31 -8.881 -1.331 3.411 1.00 0.00 C ATOM 533 C ASN A 31 -7.535 -1.869 2.921 1.00 0.00 C ATOM 534 O ASN A 31 -6.778 -2.442 3.677 1.00 0.00 O ATOM 535 CB ASN A 31 -9.925 -2.447 3.369 1.00 0.00 C ATOM 536 CG ASN A 31 -9.680 -3.419 4.525 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.698 -3.029 5.676 1.00 0.00 O ATOM 538 ND2 ASN A 31 -9.455 -4.678 4.267 1.00 0.00 N ATOM 0 H ASN A 31 -10.246 -0.314 2.127 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.773 -0.974 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.927 -2.025 3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.870 -2.976 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.294 -5.334 5.031 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.440 -5.006 3.301 1.00 0.00 H new ATOM 545 N LEU A 32 -7.240 -1.702 1.660 1.00 0.00 N ATOM 546 CA LEU A 32 -5.948 -2.215 1.113 1.00 0.00 C ATOM 547 C LEU A 32 -5.980 -3.742 1.122 1.00 0.00 C ATOM 548 O LEU A 32 -5.162 -4.391 1.742 1.00 0.00 O ATOM 549 CB LEU A 32 -4.784 -1.713 1.982 1.00 0.00 C ATOM 550 CG LEU A 32 -3.479 -1.718 1.178 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.603 -0.763 -0.003 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.329 -1.236 2.058 1.00 0.00 C ATOM 0 H LEU A 32 -7.839 -1.231 0.982 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.808 -1.856 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.996 -0.705 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.679 -2.347 2.863 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.287 -2.732 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.674 -0.768 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.425 -1.082 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.799 0.245 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.403 -1.241 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.535 -0.223 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.226 -1.899 2.917 1.00 0.00 H new ATOM 564 N HIS A 33 -6.932 -4.318 0.438 1.00 0.00 N ATOM 565 CA HIS A 33 -7.038 -5.801 0.403 1.00 0.00 C ATOM 566 C HIS A 33 -7.382 -6.266 -1.016 1.00 0.00 C ATOM 567 O HIS A 33 -7.526 -7.445 -1.270 1.00 0.00 O ATOM 568 CB HIS A 33 -8.147 -6.242 1.360 1.00 0.00 C ATOM 569 CG HIS A 33 -7.608 -7.261 2.322 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.688 -6.937 3.308 1.00 0.00 N ATOM 571 CD2 HIS A 33 -7.856 -8.603 2.465 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.417 -8.062 3.995 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.104 -9.103 3.520 1.00 0.00 N ATOM 0 H HIS A 33 -7.642 -3.821 -0.099 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.087 -6.240 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.534 -5.381 1.906 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.980 -6.663 0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.532 -9.181 1.852 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.730 -8.116 4.826 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.081 -10.064 3.860 1.00 0.00 H new ATOM 582 N GLY A 34 -7.526 -5.353 -1.940 1.00 0.00 N ATOM 583 CA GLY A 34 -7.876 -5.760 -3.334 1.00 0.00 C ATOM 584 C GLY A 34 -7.073 -4.945 -4.355 1.00 0.00 C ATOM 585 O GLY A 34 -7.277 -5.066 -5.547 1.00 0.00 O ATOM 0 H GLY A 34 -7.417 -4.350 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.674 -6.822 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.943 -5.615 -3.503 1.00 0.00 H new ATOM 589 N ILE A 35 -6.160 -4.123 -3.912 1.00 0.00 N ATOM 590 CA ILE A 35 -5.359 -3.321 -4.884 1.00 0.00 C ATOM 591 C ILE A 35 -4.612 -4.273 -5.824 1.00 0.00 C ATOM 592 O ILE A 35 -4.322 -3.937 -6.954 1.00 0.00 O ATOM 593 CB ILE A 35 -4.371 -2.416 -4.123 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.168 -1.384 -3.314 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.438 -1.682 -5.099 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.309 -0.139 -3.068 1.00 0.00 C ATOM 0 H ILE A 35 -5.935 -3.972 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.018 -2.685 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.763 -3.034 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.076 -1.110 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.479 -1.816 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.750 -1.049 -4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.871 -2.411 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.031 -1.064 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.881 0.590 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.414 -0.418 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.020 0.299 -4.024 1.00 0.00 H new ATOM 608 N PHE A 36 -4.298 -5.456 -5.374 1.00 0.00 N ATOM 609 CA PHE A 36 -3.572 -6.414 -6.258 1.00 0.00 C ATOM 610 C PHE A 36 -4.569 -7.416 -6.849 1.00 0.00 C ATOM 611 O PHE A 36 -5.380 -7.984 -6.145 1.00 0.00 O ATOM 612 CB PHE A 36 -2.526 -7.175 -5.440 1.00 0.00 C ATOM 613 CG PHE A 36 -1.563 -6.200 -4.808 1.00 0.00 C ATOM 614 CD1 PHE A 36 -0.456 -5.738 -5.529 1.00 0.00 C ATOM 615 CD2 PHE A 36 -1.775 -5.763 -3.495 1.00 0.00 C ATOM 616 CE1 PHE A 36 0.439 -4.840 -4.936 1.00 0.00 C ATOM 617 CE2 PHE A 36 -0.881 -4.864 -2.904 1.00 0.00 C ATOM 618 CZ PHE A 36 0.225 -4.403 -3.624 1.00 0.00 C ATOM 0 H PHE A 36 -4.511 -5.801 -4.438 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.081 -5.863 -7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.016 -7.768 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.985 -7.871 -6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.292 -6.074 -6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.629 -6.120 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.295 -4.484 -5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.045 -4.526 -1.891 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.915 -3.709 -3.167 1.00 0.00 H new ATOM 628 N GLY A 37 -4.514 -7.640 -8.135 1.00 0.00 N ATOM 629 CA GLY A 37 -5.459 -8.611 -8.763 1.00 0.00 C ATOM 630 C GLY A 37 -5.981 -8.050 -10.089 1.00 0.00 C ATOM 631 O GLY A 37 -5.673 -8.554 -11.150 1.00 0.00 O ATOM 0 H GLY A 37 -3.858 -7.195 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.955 -9.562 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.292 -8.808 -8.089 1.00 0.00 H new ATOM 635 N ARG A 38 -6.775 -7.014 -10.035 1.00 0.00 N ATOM 636 CA ARG A 38 -7.324 -6.423 -11.289 1.00 0.00 C ATOM 637 C ARG A 38 -6.598 -5.119 -11.611 1.00 0.00 C ATOM 638 O ARG A 38 -5.672 -4.726 -10.929 1.00 0.00 O ATOM 639 CB ARG A 38 -8.818 -6.141 -11.109 1.00 0.00 C ATOM 640 CG ARG A 38 -9.592 -7.459 -11.007 1.00 0.00 C ATOM 641 CD ARG A 38 -9.809 -8.044 -12.406 1.00 0.00 C ATOM 642 NE ARG A 38 -10.766 -9.182 -12.323 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.462 -9.526 -13.372 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.315 -8.877 -14.494 1.00 0.00 N ATOM 645 NH2 ARG A 38 -12.306 -10.519 -13.299 1.00 0.00 N ATOM 0 H ARG A 38 -7.067 -6.551 -9.174 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.179 -7.127 -12.109 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.978 -5.545 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.190 -5.556 -11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.041 -8.168 -10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.553 -7.290 -10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.196 -7.277 -13.077 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.860 -8.382 -12.822 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.877 -9.692 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.656 -8.101 -14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.859 -9.146 -15.314 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.422 -11.026 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.850 -10.787 -14.119 1.00 0.00 H new ATOM 659 N HIS A 39 -7.007 -4.453 -12.656 1.00 0.00 N ATOM 660 CA HIS A 39 -6.345 -3.176 -13.043 1.00 0.00 C ATOM 661 C HIS A 39 -6.324 -2.219 -11.852 1.00 0.00 C ATOM 662 O HIS A 39 -6.507 -2.613 -10.718 1.00 0.00 O ATOM 663 CB HIS A 39 -7.114 -2.532 -14.195 1.00 0.00 C ATOM 664 CG HIS A 39 -8.047 -3.543 -14.801 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.421 -3.495 -14.602 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.821 -4.636 -15.599 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.963 -4.531 -15.269 1.00 0.00 C ATOM 668 NE2 HIS A 39 -9.031 -5.255 -15.891 1.00 0.00 N ATOM 0 H HIS A 39 -7.776 -4.741 -13.261 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.322 -3.385 -13.355 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.677 -1.672 -13.834 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.419 -2.164 -14.950 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.853 -4.965 -15.947 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.020 -4.749 -15.297 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.176 -6.088 -16.461 1.00 0.00 H new ATOM 677 N SER A 40 -6.102 -0.958 -12.099 1.00 0.00 N ATOM 678 CA SER A 40 -6.067 0.021 -10.984 1.00 0.00 C ATOM 679 C SER A 40 -7.435 0.088 -10.305 1.00 0.00 C ATOM 680 O SER A 40 -8.444 -0.282 -10.871 1.00 0.00 O ATOM 681 CB SER A 40 -5.704 1.395 -11.538 1.00 0.00 C ATOM 682 OG SER A 40 -6.633 1.751 -12.552 1.00 0.00 O ATOM 0 H SER A 40 -5.943 -0.565 -13.027 1.00 0.00 H new ATOM 0 HA SER A 40 -5.323 -0.291 -10.251 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.717 2.137 -10.740 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.692 1.381 -11.944 1.00 0.00 H new ATOM 0 HG SER A 40 -6.561 2.710 -12.739 1.00 0.00 H new ATOM 688 N GLY A 41 -7.470 0.563 -9.090 1.00 0.00 N ATOM 689 CA GLY A 41 -8.764 0.663 -8.360 1.00 0.00 C ATOM 690 C GLY A 41 -9.383 -0.725 -8.202 1.00 0.00 C ATOM 691 O GLY A 41 -9.635 -1.414 -9.170 1.00 0.00 O ATOM 0 H GLY A 41 -6.654 0.887 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.604 1.113 -7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.448 1.316 -8.903 1.00 0.00 H new ATOM 695 N GLN A 42 -9.631 -1.140 -6.988 1.00 0.00 N ATOM 696 CA GLN A 42 -10.235 -2.489 -6.766 1.00 0.00 C ATOM 697 C GLN A 42 -11.105 -2.466 -5.507 1.00 0.00 C ATOM 698 O GLN A 42 -12.095 -3.163 -5.416 1.00 0.00 O ATOM 699 CB GLN A 42 -9.117 -3.527 -6.586 1.00 0.00 C ATOM 700 CG GLN A 42 -8.621 -4.041 -7.947 1.00 0.00 C ATOM 701 CD GLN A 42 -7.146 -3.678 -8.118 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.282 -4.525 -8.006 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.819 -2.442 -8.388 1.00 0.00 N ATOM 0 H GLN A 42 -9.442 -0.605 -6.141 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.849 -2.752 -7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.287 -3.082 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.483 -4.362 -5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.751 -5.121 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.211 -3.602 -8.751 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.545 -1.731 -8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.838 -2.188 -8.505 1.00 0.00 H new ATOM 712 N ALA A 43 -10.747 -1.674 -4.534 1.00 0.00 N ATOM 713 CA ALA A 43 -11.560 -1.620 -3.287 1.00 0.00 C ATOM 714 C ALA A 43 -13.019 -1.329 -3.646 1.00 0.00 C ATOM 715 O ALA A 43 -13.312 -0.451 -4.434 1.00 0.00 O ATOM 716 CB ALA A 43 -11.025 -0.507 -2.381 1.00 0.00 C ATOM 0 H ALA A 43 -9.930 -1.064 -4.548 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.497 -2.575 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.618 -0.465 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.984 -0.712 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.091 0.449 -2.901 1.00 0.00 H new ATOM 722 N GLU A 44 -13.939 -2.062 -3.076 1.00 0.00 N ATOM 723 CA GLU A 44 -15.378 -1.829 -3.390 1.00 0.00 C ATOM 724 C GLU A 44 -15.957 -0.785 -2.432 1.00 0.00 C ATOM 725 O GLU A 44 -16.463 0.239 -2.847 1.00 0.00 O ATOM 726 CB GLU A 44 -16.150 -3.140 -3.238 1.00 0.00 C ATOM 727 CG GLU A 44 -15.632 -4.159 -4.257 1.00 0.00 C ATOM 728 CD GLU A 44 -16.454 -5.444 -4.157 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.243 -5.550 -3.232 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.280 -6.303 -5.006 1.00 0.00 O ATOM 0 H GLU A 44 -13.756 -2.811 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 44 -15.468 -1.466 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.032 -3.529 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.215 -2.967 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.700 -3.749 -5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.580 -4.373 -4.071 1.00 0.00 H new ATOM 737 N GLY A 45 -15.889 -1.034 -1.152 1.00 0.00 N ATOM 738 CA GLY A 45 -16.438 -0.053 -0.173 1.00 0.00 C ATOM 739 C GLY A 45 -15.749 1.297 -0.372 1.00 0.00 C ATOM 740 O GLY A 45 -16.356 2.342 -0.250 1.00 0.00 O ATOM 0 H GLY A 45 -15.478 -1.873 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.514 0.051 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.279 -0.409 0.845 1.00 0.00 H new ATOM 744 N TYR A 46 -14.484 1.278 -0.689 1.00 0.00 N ATOM 745 CA TYR A 46 -13.746 2.551 -0.910 1.00 0.00 C ATOM 746 C TYR A 46 -13.571 2.782 -2.411 1.00 0.00 C ATOM 747 O TYR A 46 -13.329 1.862 -3.166 1.00 0.00 O ATOM 748 CB TYR A 46 -12.371 2.472 -0.248 1.00 0.00 C ATOM 749 CG TYR A 46 -11.558 3.679 -0.636 1.00 0.00 C ATOM 750 CD1 TYR A 46 -10.815 3.662 -1.822 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.542 4.811 0.184 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.057 4.776 -2.189 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.783 5.930 -0.183 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.040 5.912 -1.370 1.00 0.00 C ATOM 755 OH TYR A 46 -9.292 7.014 -1.733 1.00 0.00 O ATOM 0 H TYR A 46 -13.928 0.431 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.311 3.375 -0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.479 2.426 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -11.859 1.561 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.828 2.786 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.114 4.823 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.484 4.762 -3.104 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.771 6.806 0.449 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.392 7.715 -1.055 1.00 0.00 H new ATOM 765 N SER A 47 -13.692 4.007 -2.846 1.00 0.00 N ATOM 766 CA SER A 47 -13.536 4.306 -4.297 1.00 0.00 C ATOM 767 C SER A 47 -12.263 5.127 -4.508 1.00 0.00 C ATOM 768 O SER A 47 -11.844 5.875 -3.648 1.00 0.00 O ATOM 769 CB SER A 47 -14.744 5.104 -4.786 1.00 0.00 C ATOM 770 OG SER A 47 -15.928 4.352 -4.553 1.00 0.00 O ATOM 0 H SER A 47 -13.893 4.815 -2.257 1.00 0.00 H new ATOM 0 HA SER A 47 -13.468 3.374 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.798 6.060 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.643 5.325 -5.849 1.00 0.00 H new ATOM 0 HG SER A 47 -16.705 4.861 -4.864 1.00 0.00 H new ATOM 776 N TYR A 48 -11.644 4.989 -5.647 1.00 0.00 N ATOM 777 CA TYR A 48 -10.397 5.756 -5.916 1.00 0.00 C ATOM 778 C TYR A 48 -10.724 6.935 -6.832 1.00 0.00 C ATOM 779 O TYR A 48 -11.790 7.005 -7.411 1.00 0.00 O ATOM 780 CB TYR A 48 -9.374 4.849 -6.601 1.00 0.00 C ATOM 781 CG TYR A 48 -9.122 3.633 -5.742 1.00 0.00 C ATOM 782 CD1 TYR A 48 -9.960 2.522 -5.851 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.052 3.614 -4.840 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.727 1.390 -5.063 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.819 2.483 -4.051 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.656 1.371 -4.163 1.00 0.00 C ATOM 787 OH TYR A 48 -8.425 0.253 -3.388 1.00 0.00 O ATOM 0 H TYR A 48 -11.949 4.377 -6.404 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.982 6.121 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.741 4.545 -7.581 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.443 5.392 -6.764 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.788 2.536 -6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.405 4.474 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.374 0.530 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.993 2.470 -3.356 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.642 0.406 -2.819 1.00 0.00 H new ATOM 797 N THR A 49 -9.822 7.865 -6.964 1.00 0.00 N ATOM 798 CA THR A 49 -10.096 9.037 -7.839 1.00 0.00 C ATOM 799 C THR A 49 -10.217 8.564 -9.285 1.00 0.00 C ATOM 800 O THR A 49 -9.729 7.513 -9.649 1.00 0.00 O ATOM 801 CB THR A 49 -8.943 10.039 -7.747 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.071 9.843 -8.851 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.169 9.824 -6.447 1.00 0.00 C ATOM 0 H THR A 49 -8.911 7.865 -6.506 1.00 0.00 H new ATOM 0 HA THR A 49 -11.021 9.514 -7.516 1.00 0.00 H new ATOM 0 HB THR A 49 -9.342 11.053 -7.761 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.873 10.707 -9.269 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.350 10.541 -6.388 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.837 9.967 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.767 8.811 -6.426 1.00 0.00 H new ATOM 811 N ASP A 50 -10.857 9.337 -10.114 1.00 0.00 N ATOM 812 CA ASP A 50 -11.001 8.936 -11.538 1.00 0.00 C ATOM 813 C ASP A 50 -9.611 8.717 -12.137 1.00 0.00 C ATOM 814 O ASP A 50 -9.422 7.896 -13.009 1.00 0.00 O ATOM 815 CB ASP A 50 -11.723 10.042 -12.309 1.00 0.00 C ATOM 816 CG ASP A 50 -13.169 10.145 -11.821 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.602 9.246 -11.120 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.818 11.122 -12.155 1.00 0.00 O ATOM 0 H ASP A 50 -11.286 10.229 -9.867 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.580 8.015 -11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.211 10.994 -12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.703 9.827 -13.377 1.00 0.00 H new ATOM 823 N ALA A 51 -8.639 9.457 -11.681 1.00 0.00 N ATOM 824 CA ALA A 51 -7.265 9.302 -12.231 1.00 0.00 C ATOM 825 C ALA A 51 -6.814 7.842 -12.123 1.00 0.00 C ATOM 826 O ALA A 51 -6.483 7.214 -13.108 1.00 0.00 O ATOM 827 CB ALA A 51 -6.304 10.197 -11.443 1.00 0.00 C ATOM 0 H ALA A 51 -8.738 10.162 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.263 9.593 -13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.295 10.088 -11.842 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.619 11.237 -11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.313 9.905 -10.393 1.00 0.00 H new ATOM 833 N ASN A 52 -6.796 7.292 -10.941 1.00 0.00 N ATOM 834 CA ASN A 52 -6.362 5.869 -10.792 1.00 0.00 C ATOM 835 C ASN A 52 -7.264 4.955 -11.630 1.00 0.00 C ATOM 836 O ASN A 52 -6.807 4.012 -12.241 1.00 0.00 O ATOM 837 CB ASN A 52 -6.445 5.458 -9.319 1.00 0.00 C ATOM 838 CG ASN A 52 -5.794 4.084 -9.130 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.635 3.900 -9.447 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.494 3.104 -8.621 1.00 0.00 N ATOM 0 H ASN A 52 -7.061 7.760 -10.075 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.334 5.773 -11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.943 6.198 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.486 5.425 -8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.067 2.187 -8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.467 3.257 -8.354 1.00 0.00 H new ATOM 847 N ILE A 53 -8.542 5.216 -11.645 1.00 0.00 N ATOM 848 CA ILE A 53 -9.481 4.348 -12.423 1.00 0.00 C ATOM 849 C ILE A 53 -9.298 4.530 -13.939 1.00 0.00 C ATOM 850 O ILE A 53 -9.192 3.569 -14.674 1.00 0.00 O ATOM 851 CB ILE A 53 -10.919 4.703 -12.047 1.00 0.00 C ATOM 852 CG1 ILE A 53 -11.119 4.493 -10.544 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.886 3.802 -12.819 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.514 4.973 -10.140 1.00 0.00 C ATOM 0 H ILE A 53 -8.981 5.994 -11.152 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.264 3.309 -12.177 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.113 5.746 -12.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.000 3.439 -10.295 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.359 5.040 -9.986 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.912 4.055 -12.551 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.744 3.949 -13.890 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.692 2.759 -12.567 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.655 4.823 -9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.616 6.033 -10.374 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.267 4.406 -10.688 1.00 0.00 H new ATOM 866 N LYS A 54 -9.290 5.746 -14.418 1.00 0.00 N ATOM 867 CA LYS A 54 -9.150 5.968 -15.888 1.00 0.00 C ATOM 868 C LYS A 54 -7.848 5.361 -16.412 1.00 0.00 C ATOM 869 O LYS A 54 -7.816 4.768 -17.472 1.00 0.00 O ATOM 870 CB LYS A 54 -9.163 7.470 -16.178 1.00 0.00 C ATOM 871 CG LYS A 54 -10.557 8.037 -15.900 1.00 0.00 C ATOM 872 CD LYS A 54 -10.600 9.508 -16.317 1.00 0.00 C ATOM 873 CE LYS A 54 -11.965 10.101 -15.965 1.00 0.00 C ATOM 874 NZ LYS A 54 -12.666 10.507 -17.216 1.00 0.00 N ATOM 0 H LYS A 54 -9.374 6.594 -13.857 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.985 5.482 -16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.424 7.976 -15.558 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.886 7.652 -17.216 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.308 7.470 -16.449 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.796 7.941 -14.841 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.810 10.063 -15.811 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.418 9.598 -17.388 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.562 9.369 -15.421 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.841 10.962 -15.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.595 10.911 -16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.097 11.219 -17.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.796 9.675 -17.827 1.00 0.00 H new ATOM 888 N LYS A 55 -6.774 5.502 -15.692 1.00 0.00 N ATOM 889 CA LYS A 55 -5.485 4.929 -16.169 1.00 0.00 C ATOM 890 C LYS A 55 -5.621 3.413 -16.315 1.00 0.00 C ATOM 891 O LYS A 55 -5.040 2.810 -17.195 1.00 0.00 O ATOM 892 CB LYS A 55 -4.377 5.267 -15.172 1.00 0.00 C ATOM 893 CG LYS A 55 -4.136 6.777 -15.191 1.00 0.00 C ATOM 894 CD LYS A 55 -2.977 7.130 -14.259 1.00 0.00 C ATOM 895 CE LYS A 55 -2.820 8.651 -14.200 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.524 9.040 -14.826 1.00 0.00 N ATOM 0 H LYS A 55 -6.731 5.988 -14.796 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.231 5.355 -17.139 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.660 4.943 -14.170 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.461 4.736 -15.432 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.911 7.106 -16.206 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.039 7.302 -14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.164 6.733 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.055 6.671 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.647 9.133 -14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.853 8.991 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.244 9.982 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.792 8.348 -14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.631 9.062 -15.860 1.00 0.00 H new ATOM 910 N ASN A 56 -6.390 2.793 -15.464 1.00 0.00 N ATOM 911 CA ASN A 56 -6.569 1.318 -15.558 1.00 0.00 C ATOM 912 C ASN A 56 -5.203 0.632 -15.545 1.00 0.00 C ATOM 913 O ASN A 56 -4.925 -0.226 -16.357 1.00 0.00 O ATOM 914 CB ASN A 56 -7.299 0.965 -16.857 1.00 0.00 C ATOM 915 CG ASN A 56 -8.178 -0.269 -16.631 1.00 0.00 C ATOM 916 OD1 ASN A 56 -9.345 -0.146 -16.314 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.664 -1.463 -16.771 1.00 0.00 N ATOM 0 H ASN A 56 -6.903 3.245 -14.707 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.158 0.977 -14.707 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.911 1.806 -17.182 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.578 0.770 -17.651 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.242 -2.289 -16.614 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.685 -1.569 -17.037 1.00 0.00 H new ATOM 924 N VAL A 57 -4.349 0.997 -14.628 1.00 0.00 N ATOM 925 CA VAL A 57 -3.009 0.354 -14.572 1.00 0.00 C ATOM 926 C VAL A 57 -3.033 -0.743 -13.511 1.00 0.00 C ATOM 927 O VAL A 57 -3.671 -0.616 -12.486 1.00 0.00 O ATOM 928 CB VAL A 57 -1.939 1.395 -14.227 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.255 2.048 -12.879 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.573 0.709 -14.148 1.00 0.00 C ATOM 0 H VAL A 57 -4.522 1.710 -13.919 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.769 -0.078 -15.543 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.926 2.162 -15.001 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.488 2.786 -12.644 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.227 2.539 -12.931 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.275 1.285 -12.101 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.191 1.447 -13.903 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.596 -0.060 -13.376 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.340 0.251 -15.109 1.00 0.00 H new ATOM 940 N LEU A 58 -2.356 -1.829 -13.754 1.00 0.00 N ATOM 941 CA LEU A 58 -2.359 -2.939 -12.764 1.00 0.00 C ATOM 942 C LEU A 58 -1.375 -2.640 -11.638 1.00 0.00 C ATOM 943 O LEU A 58 -0.239 -2.285 -11.868 1.00 0.00 O ATOM 944 CB LEU A 58 -1.961 -4.241 -13.463 1.00 0.00 C ATOM 945 CG LEU A 58 -1.950 -5.385 -12.449 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.334 -5.519 -11.815 1.00 0.00 C ATOM 947 CD2 LEU A 58 -1.590 -6.691 -13.161 1.00 0.00 C ATOM 0 H LEU A 58 -1.802 -1.996 -14.594 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.359 -3.040 -12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.662 -4.462 -14.268 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.976 -4.135 -13.918 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.213 -5.176 -11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.326 -6.335 -11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.594 -4.589 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.071 -5.729 -12.590 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.582 -7.508 -12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.328 -6.898 -13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.604 -6.598 -13.615 1.00 0.00 H new ATOM 959 N TRP A 59 -1.810 -2.791 -10.418 1.00 0.00 N ATOM 960 CA TRP A 59 -0.909 -2.528 -9.264 1.00 0.00 C ATOM 961 C TRP A 59 -0.067 -3.775 -8.992 1.00 0.00 C ATOM 962 O TRP A 59 -0.582 -4.868 -8.869 1.00 0.00 O ATOM 963 CB TRP A 59 -1.755 -2.198 -8.030 1.00 0.00 C ATOM 964 CG TRP A 59 -2.185 -0.770 -8.083 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.456 -0.345 -8.257 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.368 0.423 -7.954 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.470 1.040 -8.256 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.204 1.558 -8.069 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.008 0.629 -7.753 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.694 2.850 -7.988 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.526 1.929 -7.668 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.324 3.038 -7.786 1.00 0.00 C ATOM 0 H TRP A 59 -2.754 -3.086 -10.171 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.252 -1.688 -9.488 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.628 -2.850 -7.991 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.179 -2.381 -7.123 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.320 -0.982 -8.377 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.310 1.606 -8.378 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.670 -0.219 -7.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.352 3.701 -8.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.584 2.077 -7.511 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.080 4.037 -7.721 1.00 0.00 H new ATOM 983 N ASP A 60 1.224 -3.618 -8.897 1.00 0.00 N ATOM 984 CA ASP A 60 2.102 -4.792 -8.635 1.00 0.00 C ATOM 985 C ASP A 60 3.213 -4.382 -7.672 1.00 0.00 C ATOM 986 O ASP A 60 3.379 -3.219 -7.362 1.00 0.00 O ATOM 987 CB ASP A 60 2.727 -5.272 -9.949 1.00 0.00 C ATOM 988 CG ASP A 60 1.632 -5.784 -10.887 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.573 -6.133 -10.396 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.875 -5.823 -12.083 1.00 0.00 O ATOM 0 H ASP A 60 1.710 -2.726 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 60 1.511 -5.597 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.272 -4.456 -10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.449 -6.064 -9.751 1.00 0.00 H new ATOM 995 N GLU A 61 3.980 -5.322 -7.197 1.00 0.00 N ATOM 996 CA GLU A 61 5.079 -4.966 -6.260 1.00 0.00 C ATOM 997 C GLU A 61 6.038 -4.006 -6.963 1.00 0.00 C ATOM 998 O GLU A 61 6.549 -3.077 -6.370 1.00 0.00 O ATOM 999 CB GLU A 61 5.833 -6.232 -5.848 1.00 0.00 C ATOM 1000 CG GLU A 61 4.896 -7.152 -5.065 1.00 0.00 C ATOM 1001 CD GLU A 61 5.671 -8.382 -4.589 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.803 -8.545 -5.013 1.00 0.00 O ATOM 1003 OE2 GLU A 61 5.119 -9.139 -3.808 1.00 0.00 O ATOM 0 H GLU A 61 3.894 -6.315 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 61 4.666 -4.491 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.211 -6.747 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.697 -5.971 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.476 -6.620 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.059 -7.457 -5.693 1.00 0.00 H new ATOM 1010 N ASN A 62 6.277 -4.217 -8.229 1.00 0.00 N ATOM 1011 CA ASN A 62 7.193 -3.310 -8.973 1.00 0.00 C ATOM 1012 C ASN A 62 6.585 -1.908 -9.024 1.00 0.00 C ATOM 1013 O ASN A 62 7.255 -0.919 -8.806 1.00 0.00 O ATOM 1014 CB ASN A 62 7.382 -3.833 -10.398 1.00 0.00 C ATOM 1015 CG ASN A 62 8.105 -5.180 -10.358 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.703 -5.532 -9.361 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.076 -5.954 -11.408 1.00 0.00 N ATOM 0 H ASN A 62 5.877 -4.978 -8.779 1.00 0.00 H new ATOM 0 HA ASN A 62 8.158 -3.273 -8.468 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.414 -3.943 -10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.957 -3.117 -10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.555 -6.854 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.574 -5.659 -12.245 1.00 0.00 H new ATOM 1024 N ASN A 63 5.314 -1.821 -9.306 1.00 0.00 N ATOM 1025 CA ASN A 63 4.652 -0.487 -9.367 1.00 0.00 C ATOM 1026 C ASN A 63 4.709 0.167 -7.988 1.00 0.00 C ATOM 1027 O ASN A 63 4.933 1.354 -7.858 1.00 0.00 O ATOM 1028 CB ASN A 63 3.189 -0.663 -9.779 1.00 0.00 C ATOM 1029 CG ASN A 63 3.119 -1.240 -11.194 1.00 0.00 C ATOM 1030 OD1 ASN A 63 4.053 -1.118 -11.960 1.00 0.00 O ATOM 1031 ND2 ASN A 63 2.041 -1.871 -11.573 1.00 0.00 N ATOM 0 H ASN A 63 4.705 -2.617 -9.497 1.00 0.00 H new ATOM 0 HA ASN A 63 5.165 0.141 -10.095 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.681 -1.327 -9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.672 0.296 -9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.983 -2.262 -12.513 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.257 -1.973 -10.929 1.00 0.00 H new ATOM 1038 N MET A 64 4.504 -0.603 -6.956 1.00 0.00 N ATOM 1039 CA MET A 64 4.543 -0.035 -5.582 1.00 0.00 C ATOM 1040 C MET A 64 5.934 0.527 -5.295 1.00 0.00 C ATOM 1041 O MET A 64 6.079 1.551 -4.657 1.00 0.00 O ATOM 1042 CB MET A 64 4.210 -1.135 -4.573 1.00 0.00 C ATOM 1043 CG MET A 64 2.730 -1.502 -4.689 1.00 0.00 C ATOM 1044 SD MET A 64 1.718 -0.094 -4.168 1.00 0.00 S ATOM 1045 CE MET A 64 0.105 -0.879 -4.398 1.00 0.00 C ATOM 0 H MET A 64 4.311 -1.603 -7.006 1.00 0.00 H new ATOM 0 HA MET A 64 3.812 0.769 -5.498 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.829 -2.013 -4.758 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.433 -0.795 -3.562 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.491 -1.775 -5.717 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.510 -2.371 -4.069 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.623 -0.130 -4.709 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.182 -1.650 -5.164 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.217 -1.331 -3.460 1.00 0.00 H new ATOM 1055 N SER A 65 6.961 -0.128 -5.763 1.00 0.00 N ATOM 1056 CA SER A 65 8.337 0.384 -5.513 1.00 0.00 C ATOM 1057 C SER A 65 8.463 1.782 -6.115 1.00 0.00 C ATOM 1058 O SER A 65 9.001 2.686 -5.509 1.00 0.00 O ATOM 1059 CB SER A 65 9.357 -0.549 -6.166 1.00 0.00 C ATOM 1060 OG SER A 65 10.665 -0.168 -5.763 1.00 0.00 O ATOM 0 H SER A 65 6.907 -0.991 -6.305 1.00 0.00 H new ATOM 0 HA SER A 65 8.526 0.426 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.161 -1.581 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.269 -0.500 -7.251 1.00 0.00 H new ATOM 0 HG SER A 65 11.322 -0.765 -6.178 1.00 0.00 H new ATOM 1066 N GLU A 66 7.961 1.964 -7.304 1.00 0.00 N ATOM 1067 CA GLU A 66 8.036 3.300 -7.950 1.00 0.00 C ATOM 1068 C GLU A 66 7.131 4.276 -7.199 1.00 0.00 C ATOM 1069 O GLU A 66 7.413 5.452 -7.103 1.00 0.00 O ATOM 1070 CB GLU A 66 7.572 3.186 -9.402 1.00 0.00 C ATOM 1071 CG GLU A 66 8.535 2.284 -10.177 1.00 0.00 C ATOM 1072 CD GLU A 66 8.116 2.233 -11.647 1.00 0.00 C ATOM 1073 OE1 GLU A 66 7.050 2.738 -11.957 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.870 1.691 -12.439 1.00 0.00 O ATOM 0 H GLU A 66 7.501 1.241 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 66 9.063 3.664 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.563 2.777 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.533 4.174 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.553 2.663 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.531 1.280 -9.752 1.00 0.00 H new ATOM 1081 N TYR A 67 6.038 3.795 -6.674 1.00 0.00 N ATOM 1082 CA TYR A 67 5.105 4.693 -5.935 1.00 0.00 C ATOM 1083 C TYR A 67 5.808 5.310 -4.726 1.00 0.00 C ATOM 1084 O TYR A 67 5.742 6.502 -4.498 1.00 0.00 O ATOM 1085 CB TYR A 67 3.908 3.883 -5.440 1.00 0.00 C ATOM 1086 CG TYR A 67 2.955 4.800 -4.715 1.00 0.00 C ATOM 1087 CD1 TYR A 67 3.199 5.150 -3.383 1.00 0.00 C ATOM 1088 CD2 TYR A 67 1.831 5.299 -5.376 1.00 0.00 C ATOM 1089 CE1 TYR A 67 2.316 6.003 -2.712 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.947 6.153 -4.706 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.190 6.506 -3.373 1.00 0.00 C ATOM 1092 OH TYR A 67 0.319 7.347 -2.714 1.00 0.00 O ATOM 0 H TYR A 67 5.750 2.818 -6.725 1.00 0.00 H new ATOM 0 HA TYR A 67 4.777 5.485 -6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.404 3.406 -6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.242 3.087 -4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.068 4.762 -2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.644 5.026 -6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.504 6.273 -1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.078 6.540 -5.217 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.408 7.604 -3.319 1.00 0.00 H new ATOM 1102 N LEU A 68 6.468 4.506 -3.940 1.00 0.00 N ATOM 1103 CA LEU A 68 7.160 5.041 -2.738 1.00 0.00 C ATOM 1104 C LEU A 68 8.285 5.988 -3.155 1.00 0.00 C ATOM 1105 O LEU A 68 8.468 7.040 -2.575 1.00 0.00 O ATOM 1106 CB LEU A 68 7.723 3.868 -1.938 1.00 0.00 C ATOM 1107 CG LEU A 68 6.559 3.036 -1.389 1.00 0.00 C ATOM 1108 CD1 LEU A 68 7.094 1.771 -0.716 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.778 3.859 -0.359 1.00 0.00 C ATOM 0 H LEU A 68 6.557 3.500 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 68 6.455 5.601 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.361 3.252 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.344 4.233 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 68 5.903 2.759 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.261 1.185 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.647 1.178 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.756 2.048 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.951 3.265 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.440 4.139 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.387 4.759 -0.833 1.00 0.00 H new ATOM 1121 N THR A 69 9.035 5.634 -4.158 1.00 0.00 N ATOM 1122 CA THR A 69 10.138 6.529 -4.609 1.00 0.00 C ATOM 1123 C THR A 69 9.543 7.727 -5.354 1.00 0.00 C ATOM 1124 O THR A 69 9.933 8.859 -5.145 1.00 0.00 O ATOM 1125 CB THR A 69 11.072 5.758 -5.545 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.366 5.401 -6.725 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.570 4.493 -4.843 1.00 0.00 C ATOM 0 H THR A 69 8.934 4.767 -4.685 1.00 0.00 H new ATOM 0 HA THR A 69 10.702 6.879 -3.744 1.00 0.00 H new ATOM 0 HB THR A 69 11.925 6.385 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.962 4.908 -7.327 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.235 3.945 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.111 4.768 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.720 3.864 -4.581 1.00 0.00 H new ATOM 1135 N ASN A 70 8.594 7.480 -6.214 1.00 0.00 N ATOM 1136 CA ASN A 70 7.953 8.591 -6.977 1.00 0.00 C ATOM 1137 C ASN A 70 6.468 8.275 -7.165 1.00 0.00 C ATOM 1138 O ASN A 70 6.110 7.252 -7.713 1.00 0.00 O ATOM 1139 CB ASN A 70 8.623 8.723 -8.348 1.00 0.00 C ATOM 1140 CG ASN A 70 10.084 9.140 -8.172 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.436 9.771 -7.196 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.958 8.808 -9.083 1.00 0.00 N ATOM 0 H ASN A 70 8.232 6.550 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 70 8.065 9.526 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.568 7.775 -8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.095 9.461 -8.952 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.935 9.079 -8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.663 8.278 -9.903 1.00 0.00 H new ATOM 1149 N HIS A 71 5.597 9.138 -6.716 1.00 0.00 N ATOM 1150 CA HIS A 71 4.139 8.868 -6.875 1.00 0.00 C ATOM 1151 C HIS A 71 3.409 10.157 -7.260 1.00 0.00 C ATOM 1152 O HIS A 71 3.964 11.236 -7.218 1.00 0.00 O ATOM 1153 CB HIS A 71 3.572 8.331 -5.558 1.00 0.00 C ATOM 1154 CG HIS A 71 4.184 9.082 -4.406 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.412 9.778 -3.485 1.00 0.00 N ATOM 1156 CD2 HIS A 71 5.487 9.254 -4.010 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.252 10.333 -2.590 1.00 0.00 C ATOM 1158 NE2 HIS A 71 5.524 10.043 -2.867 1.00 0.00 N ATOM 0 H HIS A 71 5.830 10.014 -6.248 1.00 0.00 H new ATOM 0 HA HIS A 71 3.995 8.128 -7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.488 8.442 -5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.784 7.266 -5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.350 8.840 -4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.935 10.937 -1.753 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.351 10.339 -2.348 1.00 0.00 H new ATOM 1167 N ALA A 72 2.163 10.043 -7.634 1.00 0.00 N ATOM 1168 CA ALA A 72 1.375 11.248 -8.024 1.00 0.00 C ATOM 1169 C ALA A 72 1.725 11.661 -9.457 1.00 0.00 C ATOM 1170 O ALA A 72 0.920 12.240 -10.159 1.00 0.00 O ATOM 1171 CB ALA A 72 1.697 12.400 -7.069 1.00 0.00 C ATOM 0 H ALA A 72 1.654 9.161 -7.686 1.00 0.00 H new ATOM 0 HA ALA A 72 0.312 11.012 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.121 13.281 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.438 12.111 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.761 12.630 -7.122 1.00 0.00 H new ATOM 1177 N LYS A 73 2.919 11.377 -9.897 1.00 0.00 N ATOM 1178 CA LYS A 73 3.316 11.762 -11.282 1.00 0.00 C ATOM 1179 C LYS A 73 2.407 11.073 -12.305 1.00 0.00 C ATOM 1180 O LYS A 73 2.040 11.653 -13.308 1.00 0.00 O ATOM 1181 CB LYS A 73 4.767 11.349 -11.530 1.00 0.00 C ATOM 1182 CG LYS A 73 5.691 12.152 -10.611 1.00 0.00 C ATOM 1183 CD LYS A 73 7.150 11.830 -10.940 1.00 0.00 C ATOM 1184 CE LYS A 73 8.068 12.548 -9.949 1.00 0.00 C ATOM 1185 NZ LYS A 73 9.404 12.759 -10.574 1.00 0.00 N ATOM 0 H LYS A 73 3.638 10.895 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 73 3.217 12.842 -11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.889 10.282 -11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.033 11.523 -12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.507 13.219 -10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.481 11.912 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.316 10.754 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.382 12.142 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.633 13.506 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.170 11.958 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.029 13.247 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.818 11.839 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.299 13.338 -11.431 1.00 0.00 H new ATOM 1199 N TYR A 74 2.048 9.840 -12.065 1.00 0.00 N ATOM 1200 CA TYR A 74 1.170 9.108 -13.029 1.00 0.00 C ATOM 1201 C TYR A 74 -0.085 8.609 -12.310 1.00 0.00 C ATOM 1202 O TYR A 74 -0.840 7.817 -12.836 1.00 0.00 O ATOM 1203 CB TYR A 74 1.937 7.922 -13.605 1.00 0.00 C ATOM 1204 CG TYR A 74 2.024 6.833 -12.568 1.00 0.00 C ATOM 1205 CD1 TYR A 74 2.900 6.970 -11.489 1.00 0.00 C ATOM 1206 CD2 TYR A 74 1.227 5.691 -12.684 1.00 0.00 C ATOM 1207 CE1 TYR A 74 2.985 5.961 -10.522 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.309 4.680 -11.719 1.00 0.00 C ATOM 1209 CZ TYR A 74 2.189 4.814 -10.638 1.00 0.00 C ATOM 1210 OH TYR A 74 2.272 3.818 -9.688 1.00 0.00 O ATOM 0 H TYR A 74 2.325 9.306 -11.241 1.00 0.00 H new ATOM 0 HA TYR A 74 0.875 9.780 -13.835 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.436 7.550 -14.498 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.937 8.233 -13.907 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.512 7.855 -11.400 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.548 5.588 -13.518 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.663 6.067 -9.688 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.694 3.797 -11.808 1.00 0.00 H new ATOM 0 HH TYR A 74 1.402 3.711 -9.249 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.305 9.058 -11.109 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.505 8.609 -10.343 1.00 0.00 C ATOM 1222 C ILE A 75 -2.162 9.824 -9.681 1.00 0.00 C ATOM 1223 O ILE A 75 -1.560 10.873 -9.569 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.051 7.622 -9.267 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.442 7.822 -9.025 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.300 6.180 -9.731 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.829 7.184 -7.696 1.00 0.00 C ATOM 0 H ILE A 75 0.296 9.721 -10.619 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.223 8.130 -11.008 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.613 7.798 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.016 7.375 -9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.681 8.886 -9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.973 5.487 -8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.364 6.037 -9.920 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.740 5.991 -10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.896 7.326 -7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.264 7.652 -6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.605 6.118 -7.725 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.390 9.690 -9.239 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.124 10.796 -8.579 1.00 0.00 C ATOM 1241 C PRO A 76 -3.216 11.633 -7.673 1.00 0.00 C ATOM 1242 O PRO A 76 -2.298 11.128 -7.059 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.192 10.088 -7.739 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.262 8.666 -8.219 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.218 8.482 -9.324 1.00 0.00 C ATOM 0 HA PRO A 76 -4.535 11.492 -9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.936 10.125 -6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.158 10.580 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.070 7.977 -7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.259 8.441 -8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.625 7.581 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.687 8.388 -10.304 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.471 12.910 -7.585 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.628 13.779 -6.719 1.00 0.00 C ATOM 1255 C GLY A 77 -2.944 13.488 -5.252 1.00 0.00 C ATOM 1256 O GLY A 77 -2.526 14.203 -4.362 1.00 0.00 O ATOM 0 H GLY A 77 -4.227 13.388 -8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.572 13.596 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.818 14.829 -6.943 1.00 0.00 H new ATOM 1260 N THR A 78 -3.682 12.444 -4.993 1.00 0.00 N ATOM 1261 CA THR A 78 -4.027 12.108 -3.583 1.00 0.00 C ATOM 1262 C THR A 78 -2.775 12.221 -2.712 1.00 0.00 C ATOM 1263 O THR A 78 -1.695 11.829 -3.108 1.00 0.00 O ATOM 1264 CB THR A 78 -4.562 10.677 -3.515 1.00 0.00 C ATOM 1265 OG1 THR A 78 -5.167 10.462 -2.248 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.408 9.689 -3.708 1.00 0.00 C ATOM 0 H THR A 78 -4.061 11.810 -5.696 1.00 0.00 H new ATOM 0 HA THR A 78 -4.788 12.800 -3.222 1.00 0.00 H new ATOM 0 HB THR A 78 -5.301 10.525 -4.302 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.513 9.546 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.790 8.669 -3.659 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.944 9.857 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.667 9.837 -2.922 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.909 12.756 -1.530 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.722 12.892 -0.642 1.00 0.00 C ATOM 1276 C LYS A 79 -1.703 11.743 0.369 1.00 0.00 C ATOM 1277 O LYS A 79 -2.676 11.481 1.047 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.795 14.226 0.105 1.00 0.00 C ATOM 1279 CG LYS A 79 -1.718 15.378 -0.899 1.00 0.00 C ATOM 1280 CD LYS A 79 -1.675 16.709 -0.146 1.00 0.00 C ATOM 1281 CE LYS A 79 -1.728 17.863 -1.148 1.00 0.00 C ATOM 1282 NZ LYS A 79 -2.971 17.755 -1.965 1.00 0.00 N ATOM 0 H LYS A 79 -3.786 13.104 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.814 12.860 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.723 14.286 0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.977 14.299 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.830 15.272 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.581 15.352 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.515 16.775 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.765 16.773 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.708 18.817 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.851 17.837 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.384 18.701 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.742 17.346 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.655 17.143 -1.477 1.00 0.00 H new ATOM 1296 N MET A 80 -0.596 11.062 0.480 1.00 0.00 N ATOM 1297 CA MET A 80 -0.502 9.935 1.451 1.00 0.00 C ATOM 1298 C MET A 80 0.274 10.414 2.684 1.00 0.00 C ATOM 1299 O MET A 80 1.399 10.863 2.587 1.00 0.00 O ATOM 1300 CB MET A 80 0.241 8.761 0.790 1.00 0.00 C ATOM 1301 CG MET A 80 -0.718 7.607 0.427 1.00 0.00 C ATOM 1302 SD MET A 80 -0.418 6.232 1.563 1.00 0.00 S ATOM 1303 CE MET A 80 1.138 5.656 0.849 1.00 0.00 C ATOM 0 H MET A 80 0.250 11.238 -0.062 1.00 0.00 H new ATOM 0 HA MET A 80 -1.498 9.607 1.749 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.746 9.111 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.013 8.393 1.466 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.754 7.939 0.499 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.556 7.290 -0.603 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.446 4.735 1.344 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.002 5.468 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.906 6.417 0.988 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.329 10.334 3.839 1.00 0.00 N ATOM 1314 CA ALA A 81 0.356 10.796 5.082 1.00 0.00 C ATOM 1315 C ALA A 81 1.467 9.820 5.483 1.00 0.00 C ATOM 1316 O ALA A 81 2.323 10.142 6.283 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.666 10.891 6.216 1.00 0.00 C ATOM 0 H ALA A 81 -1.271 9.967 3.977 1.00 0.00 H new ATOM 0 HA ALA A 81 0.800 11.773 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.170 11.228 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.446 11.602 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.111 9.911 6.388 1.00 0.00 H new ATOM 1323 N PHE A 82 1.457 8.627 4.956 1.00 0.00 N ATOM 1324 CA PHE A 82 2.511 7.643 5.338 1.00 0.00 C ATOM 1325 C PHE A 82 3.899 8.256 5.131 1.00 0.00 C ATOM 1326 O PHE A 82 4.788 8.084 5.940 1.00 0.00 O ATOM 1327 CB PHE A 82 2.382 6.383 4.483 1.00 0.00 C ATOM 1328 CG PHE A 82 3.351 5.340 4.988 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.025 4.573 6.113 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.576 5.145 4.338 1.00 0.00 C ATOM 1331 CE1 PHE A 82 3.923 3.609 6.587 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.474 4.181 4.814 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.146 3.414 5.937 1.00 0.00 C ATOM 0 H PHE A 82 0.770 8.291 4.281 1.00 0.00 H new ATOM 0 HA PHE A 82 2.384 7.383 6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.362 6.001 4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.590 6.615 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.081 4.725 6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.828 5.737 3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.671 3.016 7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.419 4.030 4.314 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.838 2.670 6.303 1.00 0.00 H new ATOM 1343 N GLY A 83 4.095 8.967 4.055 1.00 0.00 N ATOM 1344 CA GLY A 83 5.431 9.582 3.808 1.00 0.00 C ATOM 1345 C GLY A 83 6.456 8.480 3.528 1.00 0.00 C ATOM 1346 O GLY A 83 6.300 7.695 2.615 1.00 0.00 O ATOM 0 H GLY A 83 3.392 9.149 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.377 10.267 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.739 10.168 4.674 1.00 0.00 H new ATOM 1350 N GLY A 84 7.504 8.415 4.307 1.00 0.00 N ATOM 1351 CA GLY A 84 8.536 7.362 4.080 1.00 0.00 C ATOM 1352 C GLY A 84 8.949 6.742 5.418 1.00 0.00 C ATOM 1353 O GLY A 84 8.666 7.274 6.473 1.00 0.00 O ATOM 0 H GLY A 84 7.689 9.044 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.142 6.591 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.406 7.793 3.585 1.00 0.00 H new ATOM 1357 N LEU A 85 9.613 5.619 5.379 1.00 0.00 N ATOM 1358 CA LEU A 85 10.043 4.955 6.642 1.00 0.00 C ATOM 1359 C LEU A 85 11.500 5.297 6.952 1.00 0.00 C ATOM 1360 O LEU A 85 12.357 5.244 6.093 1.00 0.00 O ATOM 1361 CB LEU A 85 9.917 3.441 6.482 1.00 0.00 C ATOM 1362 CG LEU A 85 8.513 2.996 6.878 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.173 1.688 6.166 1.00 0.00 C ATOM 1364 CD2 LEU A 85 8.466 2.770 8.390 1.00 0.00 C ATOM 0 H LEU A 85 9.877 5.131 4.523 1.00 0.00 H new ATOM 0 HA LEU A 85 9.410 5.305 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.121 3.157 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.657 2.937 7.104 1.00 0.00 H new ATOM 0 HG LEU A 85 7.793 3.764 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.170 1.370 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.215 1.839 5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.891 0.920 6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.464 2.452 8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.186 1.999 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.714 3.698 8.905 1.00 0.00 H new ATOM 1376 N LYS A 86 11.790 5.625 8.182 1.00 0.00 N ATOM 1377 CA LYS A 86 13.197 5.943 8.549 1.00 0.00 C ATOM 1378 C LYS A 86 14.062 4.715 8.268 1.00 0.00 C ATOM 1379 O LYS A 86 15.195 4.823 7.842 1.00 0.00 O ATOM 1380 CB LYS A 86 13.274 6.295 10.036 1.00 0.00 C ATOM 1381 CG LYS A 86 12.486 7.579 10.300 1.00 0.00 C ATOM 1382 CD LYS A 86 12.666 7.996 11.761 1.00 0.00 C ATOM 1383 CE LYS A 86 11.797 9.221 12.055 1.00 0.00 C ATOM 1384 NZ LYS A 86 12.518 10.454 11.630 1.00 0.00 N ATOM 0 H LYS A 86 11.116 5.686 8.945 1.00 0.00 H new ATOM 0 HA LYS A 86 13.552 6.792 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.870 5.479 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.314 6.426 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.832 8.373 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.430 7.421 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.389 7.174 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.713 8.224 11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.847 9.142 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.567 9.270 13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.928 11.287 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.413 10.530 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.716 10.406 10.610 1.00 0.00 H new ATOM 1398 N LYS A 87 13.529 3.543 8.496 1.00 0.00 N ATOM 1399 CA LYS A 87 14.309 2.301 8.235 1.00 0.00 C ATOM 1400 C LYS A 87 13.797 1.646 6.950 1.00 0.00 C ATOM 1401 O LYS A 87 12.708 1.111 6.902 1.00 0.00 O ATOM 1402 CB LYS A 87 14.138 1.333 9.407 1.00 0.00 C ATOM 1403 CG LYS A 87 14.756 1.943 10.667 1.00 0.00 C ATOM 1404 CD LYS A 87 14.695 0.927 11.810 1.00 0.00 C ATOM 1405 CE LYS A 87 15.219 1.571 13.094 1.00 0.00 C ATOM 1406 NZ LYS A 87 14.388 2.762 13.429 1.00 0.00 N ATOM 0 H LYS A 87 12.585 3.394 8.852 1.00 0.00 H new ATOM 0 HA LYS A 87 15.365 2.548 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.080 1.127 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.617 0.381 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.790 2.229 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.220 2.851 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.670 0.587 11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.291 0.049 11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.189 0.852 13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.261 1.866 12.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.467 2.965 14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.722 3.583 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.394 2.570 13.190 1.00 0.00 H new ATOM 1420 N GLU A 88 14.577 1.692 5.909 1.00 0.00 N ATOM 1421 CA GLU A 88 14.150 1.082 4.617 1.00 0.00 C ATOM 1422 C GLU A 88 14.015 -0.435 4.768 1.00 0.00 C ATOM 1423 O GLU A 88 13.185 -1.056 4.133 1.00 0.00 O ATOM 1424 CB GLU A 88 15.194 1.392 3.542 1.00 0.00 C ATOM 1425 CG GLU A 88 15.247 2.901 3.299 1.00 0.00 C ATOM 1426 CD GLU A 88 16.241 3.204 2.178 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.949 2.293 1.778 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.282 4.341 1.738 1.00 0.00 O ATOM 0 H GLU A 88 15.499 2.129 5.895 1.00 0.00 H new ATOM 0 HA GLU A 88 13.185 1.498 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.173 1.029 3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.943 0.873 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.257 3.272 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.545 3.417 4.212 1.00 0.00 H new ATOM 1435 N LYS A 89 14.826 -1.043 5.591 1.00 0.00 N ATOM 1436 CA LYS A 89 14.737 -2.518 5.760 1.00 0.00 C ATOM 1437 C LYS A 89 13.323 -2.904 6.191 1.00 0.00 C ATOM 1438 O LYS A 89 12.737 -3.835 5.674 1.00 0.00 O ATOM 1439 CB LYS A 89 15.739 -2.961 6.827 1.00 0.00 C ATOM 1440 CG LYS A 89 17.162 -2.682 6.338 1.00 0.00 C ATOM 1441 CD LYS A 89 18.169 -3.228 7.352 1.00 0.00 C ATOM 1442 CE LYS A 89 19.585 -2.844 6.921 1.00 0.00 C ATOM 1443 NZ LYS A 89 20.503 -2.937 8.091 1.00 0.00 N ATOM 0 H LYS A 89 15.543 -0.582 6.151 1.00 0.00 H new ATOM 0 HA LYS A 89 14.967 -3.009 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.553 -2.428 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.617 -4.024 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.321 -3.148 5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.308 -1.610 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.957 -2.827 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.080 -4.312 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.926 -3.505 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.592 -1.831 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.466 -2.676 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.180 -2.289 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.504 -3.911 8.455 1.00 0.00 H new ATOM 1457 N ASP A 90 12.761 -2.187 7.121 1.00 0.00 N ATOM 1458 CA ASP A 90 11.382 -2.504 7.570 1.00 0.00 C ATOM 1459 C ASP A 90 10.421 -2.297 6.399 1.00 0.00 C ATOM 1460 O ASP A 90 9.460 -3.022 6.231 1.00 0.00 O ATOM 1461 CB ASP A 90 10.997 -1.578 8.724 1.00 0.00 C ATOM 1462 CG ASP A 90 11.868 -1.891 9.942 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.529 -2.916 9.925 1.00 0.00 O ATOM 1464 OD2 ASP A 90 11.859 -1.100 10.870 1.00 0.00 O ATOM 0 H ASP A 90 13.199 -1.394 7.590 1.00 0.00 H new ATOM 0 HA ASP A 90 11.329 -3.538 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.128 -0.537 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.944 -1.709 8.973 1.00 0.00 H new ATOM 1469 N ARG A 91 10.675 -1.305 5.589 1.00 0.00 N ATOM 1470 CA ARG A 91 9.783 -1.037 4.428 1.00 0.00 C ATOM 1471 C ARG A 91 9.704 -2.276 3.536 1.00 0.00 C ATOM 1472 O ARG A 91 8.650 -2.632 3.049 1.00 0.00 O ATOM 1473 CB ARG A 91 10.347 0.132 3.617 1.00 0.00 C ATOM 1474 CG ARG A 91 9.370 0.501 2.499 1.00 0.00 C ATOM 1475 CD ARG A 91 9.922 1.691 1.712 1.00 0.00 C ATOM 1476 NE ARG A 91 11.118 1.262 0.934 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.880 2.154 0.363 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.596 3.423 0.476 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.925 1.777 -0.322 1.00 0.00 N ATOM 0 H ARG A 91 11.465 -0.667 5.683 1.00 0.00 H new ATOM 0 HA ARG A 91 8.785 -0.790 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.513 0.991 4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.314 -0.139 3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.222 -0.351 1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.396 0.750 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.158 2.081 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.189 2.499 2.394 1.00 0.00 H new ATOM 0 HE ARG A 91 11.341 0.270 0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.779 3.717 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.192 4.121 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.146 0.785 -0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.521 2.474 -0.768 1.00 0.00 H new ATOM 1493 N ASN A 92 10.808 -2.934 3.313 1.00 0.00 N ATOM 1494 CA ASN A 92 10.787 -4.142 2.446 1.00 0.00 C ATOM 1495 C ASN A 92 9.846 -5.188 3.042 1.00 0.00 C ATOM 1496 O ASN A 92 9.032 -5.768 2.352 1.00 0.00 O ATOM 1497 CB ASN A 92 12.200 -4.715 2.353 1.00 0.00 C ATOM 1498 CG ASN A 92 13.110 -3.717 1.635 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.638 -2.820 0.966 1.00 0.00 O ATOM 1500 ND2 ASN A 92 14.405 -3.837 1.745 1.00 0.00 N ATOM 0 H ASN A 92 11.722 -2.687 3.694 1.00 0.00 H new ATOM 0 HA ASN A 92 10.434 -3.872 1.451 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.586 -4.922 3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 92 12.185 -5.662 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 92 15.021 -3.177 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.801 -4.590 2.307 1.00 0.00 H new ATOM 1507 N ASP A 93 9.941 -5.425 4.318 1.00 0.00 N ATOM 1508 CA ASP A 93 9.043 -6.425 4.955 1.00 0.00 C ATOM 1509 C ASP A 93 7.606 -5.908 4.898 1.00 0.00 C ATOM 1510 O ASP A 93 6.662 -6.659 4.745 1.00 0.00 O ATOM 1511 CB ASP A 93 9.460 -6.619 6.413 1.00 0.00 C ATOM 1512 CG ASP A 93 10.853 -7.248 6.467 1.00 0.00 C ATOM 1513 OD1 ASP A 93 11.324 -7.689 5.431 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.427 -7.278 7.543 1.00 0.00 O ATOM 0 H ASP A 93 10.602 -4.970 4.948 1.00 0.00 H new ATOM 0 HA ASP A 93 9.112 -7.377 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.462 -5.661 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.741 -7.258 6.926 1.00 0.00 H new ATOM 1519 N LEU A 94 7.443 -4.624 5.035 1.00 0.00 N ATOM 1520 CA LEU A 94 6.083 -4.019 5.009 1.00 0.00 C ATOM 1521 C LEU A 94 5.390 -4.326 3.682 1.00 0.00 C ATOM 1522 O LEU A 94 4.235 -4.701 3.643 1.00 0.00 O ATOM 1523 CB LEU A 94 6.234 -2.509 5.151 1.00 0.00 C ATOM 1524 CG LEU A 94 4.866 -1.859 5.342 1.00 0.00 C ATOM 1525 CD1 LEU A 94 4.254 -2.330 6.662 1.00 0.00 C ATOM 1526 CD2 LEU A 94 5.043 -0.342 5.377 1.00 0.00 C ATOM 0 H LEU A 94 8.204 -3.958 5.166 1.00 0.00 H new ATOM 0 HA LEU A 94 5.484 -4.430 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.876 -2.279 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.719 -2.100 4.265 1.00 0.00 H new ATOM 0 HG LEU A 94 4.206 -2.139 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.277 -1.865 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.140 -3.414 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.907 -2.047 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.072 0.135 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.699 -0.071 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.484 -0.005 4.439 1.00 0.00 H new ATOM 1538 N ILE A 95 6.086 -4.160 2.595 1.00 0.00 N ATOM 1539 CA ILE A 95 5.473 -4.432 1.269 1.00 0.00 C ATOM 1540 C ILE A 95 5.039 -5.896 1.190 1.00 0.00 C ATOM 1541 O ILE A 95 4.004 -6.219 0.641 1.00 0.00 O ATOM 1542 CB ILE A 95 6.496 -4.140 0.174 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.914 -2.670 0.245 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.871 -4.422 -1.186 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.045 -2.412 -0.751 1.00 0.00 C ATOM 0 H ILE A 95 7.056 -3.847 2.568 1.00 0.00 H new ATOM 0 HA ILE A 95 4.599 -3.794 1.134 1.00 0.00 H new ATOM 0 HB ILE A 95 7.372 -4.774 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.063 -2.028 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.241 -2.422 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.598 -4.215 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.569 -5.468 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.997 -3.785 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.343 -1.365 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.898 -3.044 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.702 -2.643 -1.759 1.00 0.00 H new ATOM 1557 N THR A 96 5.823 -6.784 1.733 1.00 0.00 N ATOM 1558 CA THR A 96 5.457 -8.228 1.688 1.00 0.00 C ATOM 1559 C THR A 96 4.095 -8.431 2.359 1.00 0.00 C ATOM 1560 O THR A 96 3.269 -9.193 1.895 1.00 0.00 O ATOM 1561 CB THR A 96 6.518 -9.042 2.432 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.807 -8.679 1.960 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.290 -10.533 2.186 1.00 0.00 C ATOM 0 H THR A 96 6.702 -6.573 2.206 1.00 0.00 H new ATOM 0 HA THR A 96 5.403 -8.559 0.651 1.00 0.00 H new ATOM 0 HB THR A 96 6.447 -8.837 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.412 -8.559 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.047 -11.109 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.301 -10.814 2.547 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.359 -10.740 1.118 1.00 0.00 H new ATOM 1571 N TYR A 97 3.859 -7.758 3.452 1.00 0.00 N ATOM 1572 CA TYR A 97 2.556 -7.916 4.158 1.00 0.00 C ATOM 1573 C TYR A 97 1.403 -7.482 3.246 1.00 0.00 C ATOM 1574 O TYR A 97 0.365 -8.111 3.209 1.00 0.00 O ATOM 1575 CB TYR A 97 2.550 -7.057 5.423 1.00 0.00 C ATOM 1576 CG TYR A 97 1.254 -7.273 6.164 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.131 -8.334 7.070 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.170 -6.416 5.941 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.075 -8.536 7.751 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -1.035 -6.617 6.623 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.158 -7.677 7.528 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.347 -7.878 8.200 1.00 0.00 O ATOM 0 H TYR A 97 4.512 -7.106 3.886 1.00 0.00 H new ATOM 0 HA TYR A 97 2.426 -8.965 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.395 -7.320 6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.663 -6.005 5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.967 -8.996 7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.264 -5.598 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.170 -9.355 8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.870 -5.954 6.451 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.995 -7.193 7.931 1.00 0.00 H new ATOM 1592 N LEU A 98 1.568 -6.411 2.516 1.00 0.00 N ATOM 1593 CA LEU A 98 0.469 -5.952 1.624 1.00 0.00 C ATOM 1594 C LEU A 98 0.102 -7.065 0.647 1.00 0.00 C ATOM 1595 O LEU A 98 -1.057 -7.289 0.355 1.00 0.00 O ATOM 1596 CB LEU A 98 0.923 -4.714 0.851 1.00 0.00 C ATOM 1597 CG LEU A 98 1.256 -3.588 1.831 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.659 -2.338 1.047 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.024 -3.272 2.687 1.00 0.00 C ATOM 0 H LEU A 98 2.412 -5.838 2.500 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.405 -5.701 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.797 -4.952 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.138 -4.393 0.166 1.00 0.00 H new ATOM 0 HG LEU A 98 2.078 -3.899 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.897 -1.533 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.533 -2.559 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.834 -2.030 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.262 -2.470 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.797 -2.960 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.270 -4.162 3.244 1.00 0.00 H new ATOM 1611 N LYS A 99 1.070 -7.781 0.150 1.00 0.00 N ATOM 1612 CA LYS A 99 0.745 -8.885 -0.787 1.00 0.00 C ATOM 1613 C LYS A 99 -0.218 -9.830 -0.076 1.00 0.00 C ATOM 1614 O LYS A 99 -1.172 -10.316 -0.647 1.00 0.00 O ATOM 1615 CB LYS A 99 2.021 -9.641 -1.163 1.00 0.00 C ATOM 1616 CG LYS A 99 1.690 -10.715 -2.201 1.00 0.00 C ATOM 1617 CD LYS A 99 2.973 -11.441 -2.614 1.00 0.00 C ATOM 1618 CE LYS A 99 3.505 -12.258 -1.433 1.00 0.00 C ATOM 1619 NZ LYS A 99 4.377 -13.355 -1.941 1.00 0.00 N ATOM 0 H LYS A 99 2.062 -7.650 0.350 1.00 0.00 H new ATOM 0 HA LYS A 99 0.294 -8.490 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.762 -8.949 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.459 -10.100 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.974 -11.426 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.220 -10.260 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.775 -12.096 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.723 -10.719 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.068 -11.615 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.675 -12.674 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.739 -13.910 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.826 -13.973 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.176 -12.948 -2.468 1.00 0.00 H new ATOM 1633 N LYS A 100 0.025 -10.078 1.182 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.872 -10.972 1.957 1.00 0.00 C ATOM 1635 C LYS A 100 -2.270 -10.355 2.032 1.00 0.00 C ATOM 1636 O LYS A 100 -3.263 -11.051 2.084 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.318 -11.153 3.372 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.170 -12.175 4.127 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.559 -12.430 5.507 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.666 -11.165 6.360 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.708 -11.542 7.801 1.00 0.00 N ATOM 0 H LYS A 100 0.812 -9.696 1.707 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.929 -11.942 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.718 -11.489 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.322 -10.200 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.191 -11.807 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.224 -13.107 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.075 -13.255 5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.486 -12.724 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.185 -10.511 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.563 -10.607 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.517 -11.076 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.808 -12.574 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.173 -11.240 8.265 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.358 -9.049 2.051 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.694 -8.400 2.139 1.00 0.00 C ATOM 1657 C ALA A 101 -4.556 -8.821 0.949 1.00 0.00 C ATOM 1658 O ALA A 101 -5.749 -9.015 1.075 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.526 -6.878 2.138 1.00 0.00 C ATOM 0 H ALA A 101 -1.564 -8.410 2.009 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.183 -8.711 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.505 -6.404 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.921 -6.578 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.032 -6.567 1.217 1.00 0.00 H new ATOM 1665 N THR A 102 -3.970 -8.970 -0.207 1.00 0.00 N ATOM 1666 CA THR A 102 -4.773 -9.383 -1.393 1.00 0.00 C ATOM 1667 C THR A 102 -5.243 -10.828 -1.210 1.00 0.00 C ATOM 1668 O THR A 102 -6.305 -11.207 -1.662 1.00 0.00 O ATOM 1669 CB THR A 102 -3.926 -9.265 -2.664 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.763 -8.894 -3.749 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.254 -10.604 -2.977 1.00 0.00 C ATOM 0 H THR A 102 -2.976 -8.825 -0.382 1.00 0.00 H new ATOM 0 HA THR A 102 -5.641 -8.730 -1.488 1.00 0.00 H new ATOM 0 HB THR A 102 -3.156 -8.509 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.615 -9.506 -4.500 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.655 -10.508 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.611 -10.892 -2.145 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.017 -11.368 -3.127 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.460 -11.638 -0.550 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.863 -13.057 -0.339 1.00 0.00 C ATOM 1681 C GLU A 103 -6.299 -13.106 0.186 1.00 0.00 C ATOM 1682 O GLU A 103 -7.018 -14.061 -0.030 1.00 0.00 O ATOM 1683 CB GLU A 103 -3.925 -13.708 0.679 1.00 0.00 C ATOM 1684 CG GLU A 103 -4.244 -15.200 0.788 1.00 0.00 C ATOM 1685 CD GLU A 103 -3.378 -15.829 1.881 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -2.616 -15.102 2.498 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -3.492 -17.027 2.083 1.00 0.00 O ATOM 0 H GLU A 103 -3.559 -11.378 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.803 -13.596 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.888 -13.569 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.039 -13.229 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.300 -15.341 1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.059 -15.693 -0.166 1.00 0.00 H new