USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=25 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 30:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl -177:sc= 0 (180deg=-0.0177) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -7.74! C(o=-18!,f=-9.2!) USER MOD Set 2.2: A 56 ASN : amide:sc= -10.6! C(o=-18!,f=-7.8!) 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 -57:sc= 0.569 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 -106:sc= 0.0281 USER MOD Single : A 14 CYS SG : rot -162:sc= -2.5! USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 22:sc= -0.311 USER MOD Single : A 18 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-5.2!) USER MOD Single : A 19 THR OG1 : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-8.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -5.7! C(o=-5.7!,f=-5.1!) USER MOD Single : A 33 HIS : no HD1:sc= -6.63! C(o=-6.6!,f=-6.3!) USER MOD Single : A 40 SER OG : rot -57:sc= -2.8! USER MOD Single : A 42 GLN : amide:sc= -11.8! C(o=-12!,f=-7.7!) 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 100:sc= -2.91! USER MOD Single : A 49 THR OG1 : rot 140:sc= -1.47 USER MOD Single : A 52 ASN : amide:sc= -9.88! C(o=-9.9!,f=-9.6!) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= -3.31! (180deg=-7.41!) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= -0.146! (180deg=-2.35!) USER MOD Single : A 62 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3!) USER MOD Single : A 64 MET CE :methyl -134:sc= -0.657 (180deg=-4.06!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 170:sc= -0.752 USER MOD Single : A 70 ASN : amide:sc= -2.91! C(o=-2.9!,f=-4.8!) USER MOD Single : A 71 HIS : no HD1:sc= -4.91! C(o=-4.9!,f=-10!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.0229 (180deg=-0.469) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00783 K(o=-0.0078,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot -31:sc= 0.155 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -116:sc= -0.663 (180deg=-2.25!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -110:sc= -0.8 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 13.148 -3.261 -3.741 1.00 0.00 N ATOM 33 CA PHE A -3 12.282 -3.910 -2.716 1.00 0.00 C ATOM 34 C PHE A -3 12.693 -5.374 -2.552 1.00 0.00 C ATOM 35 O PHE A -3 12.803 -6.109 -3.513 1.00 0.00 O ATOM 36 CB PHE A -3 10.820 -3.830 -3.168 1.00 0.00 C ATOM 37 CG PHE A -3 9.996 -4.890 -2.470 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.225 -5.200 -1.121 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.993 -5.564 -3.177 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.455 -6.179 -0.487 1.00 0.00 C ATOM 41 CE2 PHE A -3 8.221 -6.542 -2.541 1.00 0.00 C ATOM 42 CZ PHE A -3 8.453 -6.850 -1.196 1.00 0.00 C ATOM 0 H1 PHE A -3 12.868 -2.266 -3.852 1.00 0.00 H new ATOM 0 H2 PHE A -3 14.141 -3.309 -3.437 1.00 0.00 H new ATOM 0 H3 PHE A -3 13.040 -3.755 -4.650 1.00 0.00 H new ATOM 0 HA PHE A -3 12.396 -3.398 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.417 -2.842 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.758 -3.964 -4.248 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.997 -4.682 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.815 -5.328 -4.216 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.634 -6.418 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.446 -7.059 -3.088 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.858 -7.606 -0.705 1.00 0.00 H new ATOM 52 N LYS A -2 12.919 -5.799 -1.336 1.00 0.00 N ATOM 53 CA LYS A -2 13.321 -7.213 -1.095 1.00 0.00 C ATOM 54 C LYS A -2 12.255 -7.904 -0.246 1.00 0.00 C ATOM 55 O LYS A -2 11.780 -7.364 0.733 1.00 0.00 O ATOM 56 CB LYS A -2 14.661 -7.243 -0.355 1.00 0.00 C ATOM 57 CG LYS A -2 15.169 -8.685 -0.278 1.00 0.00 C ATOM 58 CD LYS A -2 16.474 -8.727 0.518 1.00 0.00 C ATOM 59 CE LYS A -2 17.063 -10.138 0.460 1.00 0.00 C ATOM 60 NZ LYS A -2 17.674 -10.475 1.777 1.00 0.00 N ATOM 0 H LYS A -2 12.842 -5.224 -0.497 1.00 0.00 H new ATOM 0 HA LYS A -2 13.421 -7.732 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A -2 15.388 -6.617 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.544 -6.833 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A -2 14.421 -9.320 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.330 -9.079 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A -2 17.184 -8.008 0.110 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.290 -8.441 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A -2 16.284 -10.859 0.213 1.00 0.00 H new ATOM 0 HE3 LYS A -2 17.814 -10.198 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 18.075 -11.434 1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 18.428 -9.793 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 16.946 -10.434 2.518 1.00 0.00 H new ATOM 74 N ALA A -1 11.869 -9.094 -0.615 1.00 0.00 N ATOM 75 CA ALA A -1 10.829 -9.815 0.170 1.00 0.00 C ATOM 76 C ALA A -1 11.408 -10.245 1.519 1.00 0.00 C ATOM 77 O ALA A -1 12.090 -11.244 1.625 1.00 0.00 O ATOM 78 CB ALA A -1 10.371 -11.051 -0.605 1.00 0.00 C ATOM 0 H ALA A -1 12.229 -9.598 -1.426 1.00 0.00 H new ATOM 0 HA ALA A -1 9.979 -9.153 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A -1 9.610 -11.579 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A -1 9.954 -10.745 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A -1 11.222 -11.711 -0.773 1.00 0.00 H new ATOM 84 N GLY A 1 11.135 -9.497 2.554 1.00 0.00 N ATOM 85 CA GLY A 1 11.664 -9.864 3.899 1.00 0.00 C ATOM 86 C GLY A 1 10.658 -10.776 4.603 1.00 0.00 C ATOM 87 O GLY A 1 10.341 -11.847 4.126 1.00 0.00 O ATOM 0 H GLY A 1 10.569 -8.649 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.624 -10.370 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.837 -8.966 4.493 1.00 0.00 H new ATOM 91 N SER A 2 10.150 -10.356 5.733 1.00 0.00 N ATOM 92 CA SER A 2 9.158 -11.195 6.466 1.00 0.00 C ATOM 93 C SER A 2 7.849 -10.419 6.614 1.00 0.00 C ATOM 94 O SER A 2 7.831 -9.295 7.077 1.00 0.00 O ATOM 95 CB SER A 2 9.706 -11.536 7.852 1.00 0.00 C ATOM 96 OG SER A 2 8.813 -12.430 8.503 1.00 0.00 O ATOM 0 H SER A 2 10.380 -9.468 6.179 1.00 0.00 H new ATOM 0 HA SER A 2 8.976 -12.115 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.693 -11.990 7.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.824 -10.628 8.443 1.00 0.00 H new ATOM 0 HG SER A 2 9.162 -12.652 9.391 1.00 0.00 H new ATOM 102 N ALA A 3 6.753 -11.007 6.223 1.00 0.00 N ATOM 103 CA ALA A 3 5.445 -10.304 6.341 1.00 0.00 C ATOM 104 C ALA A 3 5.053 -10.186 7.816 1.00 0.00 C ATOM 105 O ALA A 3 4.406 -9.241 8.222 1.00 0.00 O ATOM 106 CB ALA A 3 4.371 -11.097 5.591 1.00 0.00 C ATOM 0 H ALA A 3 6.706 -11.946 5.826 1.00 0.00 H new ATOM 0 HA ALA A 3 5.532 -9.307 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.413 -10.584 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.646 -11.178 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.288 -12.095 6.022 1.00 0.00 H new ATOM 112 N LYS A 4 5.432 -11.142 8.617 1.00 0.00 N ATOM 113 CA LYS A 4 5.073 -11.093 10.060 1.00 0.00 C ATOM 114 C LYS A 4 5.643 -9.822 10.681 1.00 0.00 C ATOM 115 O LYS A 4 4.960 -9.088 11.367 1.00 0.00 O ATOM 116 CB LYS A 4 5.688 -12.299 10.761 1.00 0.00 C ATOM 117 CG LYS A 4 5.257 -13.571 10.040 1.00 0.00 C ATOM 118 CD LYS A 4 5.658 -14.794 10.868 1.00 0.00 C ATOM 119 CE LYS A 4 7.181 -14.846 10.999 1.00 0.00 C ATOM 120 NZ LYS A 4 7.620 -16.263 11.141 1.00 0.00 N ATOM 0 H LYS A 4 5.976 -11.957 8.333 1.00 0.00 H new ATOM 0 HA LYS A 4 3.989 -11.103 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.775 -12.218 10.763 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.369 -12.331 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.178 -13.564 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.722 -13.618 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.199 -14.744 11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.292 -15.704 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.647 -14.396 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.502 -14.266 11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.656 -16.298 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.185 -16.678 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.326 -16.803 10.302 1.00 0.00 H new ATOM 134 N LYS A 5 6.894 -9.566 10.445 1.00 0.00 N ATOM 135 CA LYS A 5 7.527 -8.348 11.018 1.00 0.00 C ATOM 136 C LYS A 5 6.820 -7.102 10.483 1.00 0.00 C ATOM 137 O LYS A 5 6.501 -6.194 11.224 1.00 0.00 O ATOM 138 CB LYS A 5 9.001 -8.314 10.618 1.00 0.00 C ATOM 139 CG LYS A 5 9.730 -9.501 11.251 1.00 0.00 C ATOM 140 CD LYS A 5 11.228 -9.402 10.949 1.00 0.00 C ATOM 141 CE LYS A 5 11.943 -10.641 11.490 1.00 0.00 C ATOM 142 NZ LYS A 5 13.013 -11.052 10.537 1.00 0.00 N ATOM 0 H LYS A 5 7.510 -10.149 9.878 1.00 0.00 H new ATOM 0 HA LYS A 5 7.443 -8.368 12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.095 -8.353 9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.456 -7.379 10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.565 -9.510 12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.331 -10.437 10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.388 -9.318 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.642 -8.503 11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.374 -10.427 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.231 -11.455 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.500 -11.895 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.589 -11.272 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.697 -10.277 10.428 1.00 0.00 H new ATOM 156 N GLY A 6 6.564 -7.052 9.205 1.00 0.00 N ATOM 157 CA GLY A 6 5.868 -5.862 8.638 1.00 0.00 C ATOM 158 C GLY A 6 4.444 -5.807 9.187 1.00 0.00 C ATOM 159 O GLY A 6 3.888 -4.747 9.382 1.00 0.00 O ATOM 0 H GLY A 6 6.805 -7.779 8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.407 -4.951 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.849 -5.920 7.550 1.00 0.00 H new ATOM 163 N ALA A 7 3.849 -6.942 9.443 1.00 0.00 N ATOM 164 CA ALA A 7 2.462 -6.942 9.985 1.00 0.00 C ATOM 165 C ALA A 7 2.438 -6.093 11.253 1.00 0.00 C ATOM 166 O ALA A 7 1.532 -5.317 11.478 1.00 0.00 O ATOM 167 CB ALA A 7 2.040 -8.374 10.320 1.00 0.00 C ATOM 0 H ALA A 7 4.262 -7.864 9.301 1.00 0.00 H new ATOM 0 HA ALA A 7 1.773 -6.533 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.025 -8.371 10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.075 -8.984 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.719 -8.789 11.065 1.00 0.00 H new ATOM 173 N THR A 8 3.445 -6.220 12.070 1.00 0.00 N ATOM 174 CA THR A 8 3.502 -5.405 13.309 1.00 0.00 C ATOM 175 C THR A 8 3.649 -3.943 12.907 1.00 0.00 C ATOM 176 O THR A 8 2.984 -3.065 13.419 1.00 0.00 O ATOM 177 CB THR A 8 4.723 -5.831 14.122 1.00 0.00 C ATOM 178 OG1 THR A 8 5.904 -5.494 13.406 1.00 0.00 O ATOM 179 CG2 THR A 8 4.681 -7.340 14.354 1.00 0.00 C ATOM 0 H THR A 8 4.231 -6.855 11.931 1.00 0.00 H new ATOM 0 HA THR A 8 2.600 -5.544 13.905 1.00 0.00 H new ATOM 0 HB THR A 8 4.719 -5.318 15.083 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.888 -5.925 12.526 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.553 -7.643 14.934 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.774 -7.599 14.900 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.687 -7.856 13.394 1.00 0.00 H new ATOM 187 N LEU A 9 4.515 -3.693 11.971 1.00 0.00 N ATOM 188 CA LEU A 9 4.733 -2.306 11.484 1.00 0.00 C ATOM 189 C LEU A 9 3.438 -1.772 10.869 1.00 0.00 C ATOM 190 O LEU A 9 3.064 -0.632 11.062 1.00 0.00 O ATOM 191 CB LEU A 9 5.818 -2.336 10.411 1.00 0.00 C ATOM 192 CG LEU A 9 7.135 -2.845 11.005 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.234 -2.723 9.956 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.521 -2.009 12.229 1.00 0.00 C ATOM 0 H LEU A 9 5.090 -4.401 11.515 1.00 0.00 H new ATOM 0 HA LEU A 9 5.033 -1.663 12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.508 -2.981 9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.959 -1.337 9.998 1.00 0.00 H new ATOM 0 HG LEU A 9 7.012 -3.885 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.175 -3.083 10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.971 -3.319 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.343 -1.679 9.663 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.459 -2.380 12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.642 -0.967 11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.737 -2.084 12.983 1.00 0.00 H new ATOM 206 N PHE A 10 2.759 -2.596 10.124 1.00 0.00 N ATOM 207 CA PHE A 10 1.490 -2.163 9.476 1.00 0.00 C ATOM 208 C PHE A 10 0.424 -1.900 10.543 1.00 0.00 C ATOM 209 O PHE A 10 -0.141 -0.823 10.625 1.00 0.00 O ATOM 210 CB PHE A 10 1.015 -3.286 8.548 1.00 0.00 C ATOM 211 CG PHE A 10 -0.190 -2.839 7.758 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.467 -2.913 8.324 1.00 0.00 C ATOM 213 CD2 PHE A 10 -0.030 -2.363 6.451 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.585 -2.509 7.585 1.00 0.00 C ATOM 215 CE2 PHE A 10 -1.146 -1.958 5.712 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.424 -2.031 6.279 1.00 0.00 C ATOM 0 H PHE A 10 3.031 -3.561 9.934 1.00 0.00 H new ATOM 0 HA PHE A 10 1.656 -1.247 8.910 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.819 -3.570 7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.766 -4.171 9.134 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.590 -3.282 9.331 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.956 -2.309 6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.571 -2.566 8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.022 -1.589 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.286 -1.718 5.709 1.00 0.00 H new ATOM 226 N LYS A 11 0.147 -2.878 11.364 1.00 0.00 N ATOM 227 CA LYS A 11 -0.877 -2.698 12.427 1.00 0.00 C ATOM 228 C LYS A 11 -0.451 -1.566 13.359 1.00 0.00 C ATOM 229 O LYS A 11 -1.266 -0.827 13.873 1.00 0.00 O ATOM 230 CB LYS A 11 -1.009 -3.997 13.222 1.00 0.00 C ATOM 231 CG LYS A 11 -1.549 -5.101 12.312 1.00 0.00 C ATOM 232 CD LYS A 11 -1.789 -6.369 13.134 1.00 0.00 C ATOM 233 CE LYS A 11 -2.228 -7.505 12.208 1.00 0.00 C ATOM 234 NZ LYS A 11 -1.736 -8.805 12.748 1.00 0.00 N ATOM 0 H LYS A 11 0.589 -3.797 11.342 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.837 -2.448 11.975 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.040 -4.287 13.628 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.678 -3.850 14.070 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.478 -4.778 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.840 -5.304 11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.878 -6.649 13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.553 -6.186 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.315 -7.521 12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.834 -7.343 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.034 -9.577 12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.698 -8.786 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.132 -8.959 13.697 1.00 0.00 H new ATOM 248 N THR A 12 0.822 -1.428 13.589 1.00 0.00 N ATOM 249 CA THR A 12 1.297 -0.347 14.490 1.00 0.00 C ATOM 250 C THR A 12 1.371 0.974 13.723 1.00 0.00 C ATOM 251 O THR A 12 1.524 2.028 14.308 1.00 0.00 O ATOM 252 CB THR A 12 2.686 -0.704 15.026 1.00 0.00 C ATOM 253 OG1 THR A 12 3.605 -0.777 13.945 1.00 0.00 O ATOM 254 CG2 THR A 12 2.628 -2.054 15.746 1.00 0.00 C ATOM 0 H THR A 12 1.554 -2.017 13.192 1.00 0.00 H new ATOM 0 HA THR A 12 0.600 -0.240 15.321 1.00 0.00 H new ATOM 0 HB THR A 12 3.013 0.063 15.728 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.816 -1.716 13.758 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.618 -2.306 16.127 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.924 -1.994 16.576 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.300 -2.825 15.048 1.00 0.00 H new ATOM 262 N ARG A 13 1.284 0.938 12.417 1.00 0.00 N ATOM 263 CA ARG A 13 1.373 2.211 11.646 1.00 0.00 C ATOM 264 C ARG A 13 0.586 2.128 10.333 1.00 0.00 C ATOM 265 O ARG A 13 1.113 2.411 9.277 1.00 0.00 O ATOM 266 CB ARG A 13 2.839 2.505 11.324 1.00 0.00 C ATOM 267 CG ARG A 13 3.609 2.792 12.616 1.00 0.00 C ATOM 268 CD ARG A 13 5.023 3.265 12.273 1.00 0.00 C ATOM 269 NE ARG A 13 5.838 3.331 13.518 1.00 0.00 N ATOM 270 CZ ARG A 13 6.956 4.004 13.531 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.359 4.621 12.453 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.672 4.061 14.621 1.00 0.00 N ATOM 0 H ARG A 13 1.157 0.094 11.859 1.00 0.00 H new ATOM 0 HA ARG A 13 0.945 3.006 12.257 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.284 1.655 10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.908 3.360 10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.091 3.553 13.199 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.654 1.894 13.232 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.484 2.582 11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.985 4.245 11.797 1.00 0.00 H new ATOM 0 HE ARG A 13 5.522 2.850 14.360 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.800 4.577 11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.233 5.147 12.463 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.358 3.579 15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.546 4.587 14.630 1.00 0.00 H new ATOM 286 N CYS A 14 -0.664 1.761 10.377 1.00 0.00 N ATOM 287 CA CYS A 14 -1.443 1.690 9.107 1.00 0.00 C ATOM 288 C CYS A 14 -2.942 1.571 9.411 1.00 0.00 C ATOM 289 O CYS A 14 -3.775 1.811 8.559 1.00 0.00 O ATOM 290 CB CYS A 14 -0.978 0.477 8.303 1.00 0.00 C ATOM 291 SG CYS A 14 -1.201 0.789 6.531 1.00 0.00 S ATOM 0 H CYS A 14 -1.175 1.510 11.223 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.277 2.599 8.529 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.071 0.269 8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.544 -0.406 8.600 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.170 -0.339 5.885 1.00 0.00 H new ATOM 296 N LEU A 15 -3.289 1.201 10.610 1.00 0.00 N ATOM 297 CA LEU A 15 -4.734 1.063 10.962 1.00 0.00 C ATOM 298 C LEU A 15 -5.412 2.437 10.940 1.00 0.00 C ATOM 299 O LEU A 15 -6.590 2.554 10.668 1.00 0.00 O ATOM 300 CB LEU A 15 -4.854 0.466 12.364 1.00 0.00 C ATOM 301 CG LEU A 15 -3.995 -0.795 12.452 1.00 0.00 C ATOM 302 CD1 LEU A 15 -4.254 -1.502 13.783 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.341 -1.732 11.296 1.00 0.00 C ATOM 0 H LEU A 15 -2.637 0.987 11.364 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.220 0.412 10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.531 1.192 13.110 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.895 0.227 12.582 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.942 -0.520 12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.640 -2.401 13.843 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.000 -0.833 14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.307 -1.776 13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.728 -2.631 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.394 -2.007 11.353 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.148 -1.228 10.349 1.00 0.00 H new ATOM 315 N GLN A 16 -4.682 3.474 11.246 1.00 0.00 N ATOM 316 CA GLN A 16 -5.284 4.838 11.269 1.00 0.00 C ATOM 317 C GLN A 16 -5.780 5.237 9.874 1.00 0.00 C ATOM 318 O GLN A 16 -6.121 6.378 9.639 1.00 0.00 O ATOM 319 CB GLN A 16 -4.233 5.847 11.742 1.00 0.00 C ATOM 320 CG GLN A 16 -3.087 5.909 10.729 1.00 0.00 C ATOM 321 CD GLN A 16 -2.009 6.868 11.237 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.190 6.502 12.055 1.00 0.00 O ATOM 323 NE2 GLN A 16 -1.975 8.092 10.783 1.00 0.00 N ATOM 0 H GLN A 16 -3.690 3.436 11.482 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.133 4.833 11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.685 6.832 11.855 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.851 5.557 12.721 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.664 4.915 10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.460 6.244 9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.663 8.400 10.096 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.261 8.740 11.116 1.00 0.00 H new ATOM 332 N CYS A 17 -5.831 4.318 8.949 1.00 0.00 N ATOM 333 CA CYS A 17 -6.314 4.677 7.583 1.00 0.00 C ATOM 334 C CYS A 17 -6.783 3.416 6.861 1.00 0.00 C ATOM 335 O CYS A 17 -7.944 3.273 6.535 1.00 0.00 O ATOM 336 CB CYS A 17 -5.182 5.332 6.790 1.00 0.00 C ATOM 337 SG CYS A 17 -4.915 7.020 7.394 1.00 0.00 S ATOM 0 H CYS A 17 -5.562 3.342 9.077 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.145 5.378 7.667 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.267 4.749 6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.430 5.350 5.729 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.376 7.125 8.605 1.00 0.00 H new ATOM 342 N HIS A 18 -5.896 2.489 6.619 1.00 0.00 N ATOM 343 CA HIS A 18 -6.311 1.237 5.931 1.00 0.00 C ATOM 344 C HIS A 18 -6.696 0.208 6.986 1.00 0.00 C ATOM 345 O HIS A 18 -5.911 -0.122 7.853 1.00 0.00 O ATOM 346 CB HIS A 18 -5.151 0.666 5.115 1.00 0.00 C ATOM 347 CG HIS A 18 -4.791 1.589 3.986 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.287 1.430 2.698 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.949 2.663 3.932 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.731 2.389 1.931 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.910 3.165 2.639 1.00 0.00 N ATOM 0 H HIS A 18 -4.908 2.545 6.867 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.148 1.458 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.285 0.517 5.760 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.425 -0.312 4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.396 3.062 4.770 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.926 2.513 0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.368 3.960 2.301 1.00 0.00 H new ATOM 359 N THR A 19 -7.882 -0.319 6.914 1.00 0.00 N ATOM 360 CA THR A 19 -8.288 -1.342 7.908 1.00 0.00 C ATOM 361 C THR A 19 -8.165 -2.716 7.253 1.00 0.00 C ATOM 362 O THR A 19 -8.719 -2.955 6.199 1.00 0.00 O ATOM 363 CB THR A 19 -9.739 -1.100 8.333 1.00 0.00 C ATOM 364 OG1 THR A 19 -9.877 0.234 8.801 1.00 0.00 O ATOM 365 CG2 THR A 19 -10.117 -2.076 9.447 1.00 0.00 C ATOM 0 H THR A 19 -8.585 -0.086 6.212 1.00 0.00 H new ATOM 0 HA THR A 19 -7.651 -1.286 8.791 1.00 0.00 H new ATOM 0 HB THR A 19 -10.399 -1.256 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.827 0.442 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.150 -1.902 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.012 -3.099 9.086 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.459 -1.924 10.303 1.00 0.00 H new ATOM 373 N VAL A 20 -7.437 -3.615 7.854 1.00 0.00 N ATOM 374 CA VAL A 20 -7.274 -4.966 7.251 1.00 0.00 C ATOM 375 C VAL A 20 -7.959 -6.008 8.132 1.00 0.00 C ATOM 376 O VAL A 20 -7.420 -7.061 8.408 1.00 0.00 O ATOM 377 CB VAL A 20 -5.789 -5.283 7.122 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.615 -6.618 6.401 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.114 -4.175 6.311 1.00 0.00 C ATOM 0 H VAL A 20 -6.948 -3.472 8.737 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.733 -4.985 6.262 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.337 -5.346 8.112 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.553 -6.846 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.107 -7.406 6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.061 -6.556 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.050 -4.392 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.566 -4.122 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.244 -3.220 6.821 1.00 0.00 H new ATOM 389 N GLU A 21 -9.154 -5.724 8.567 1.00 0.00 N ATOM 390 CA GLU A 21 -9.889 -6.697 9.416 1.00 0.00 C ATOM 391 C GLU A 21 -10.514 -7.746 8.493 1.00 0.00 C ATOM 392 O GLU A 21 -11.446 -8.436 8.851 1.00 0.00 O ATOM 393 CB GLU A 21 -10.984 -5.962 10.200 1.00 0.00 C ATOM 394 CG GLU A 21 -11.484 -6.840 11.352 1.00 0.00 C ATOM 395 CD GLU A 21 -12.632 -6.130 12.072 1.00 0.00 C ATOM 396 OE1 GLU A 21 -12.987 -5.042 11.650 1.00 0.00 O ATOM 397 OE2 GLU A 21 -13.138 -6.687 13.033 1.00 0.00 O ATOM 0 H GLU A 21 -9.654 -4.857 8.370 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.217 -7.178 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.594 -5.022 10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.812 -5.712 9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.821 -7.804 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.671 -7.041 12.050 1.00 0.00 H new ATOM 404 N LYS A 22 -10.003 -7.852 7.293 1.00 0.00 N ATOM 405 CA LYS A 22 -10.548 -8.837 6.315 1.00 0.00 C ATOM 406 C LYS A 22 -11.985 -8.457 5.966 1.00 0.00 C ATOM 407 O LYS A 22 -12.916 -9.199 6.213 1.00 0.00 O ATOM 408 CB LYS A 22 -10.503 -10.246 6.902 1.00 0.00 C ATOM 409 CG LYS A 22 -9.111 -10.508 7.476 1.00 0.00 C ATOM 410 CD LYS A 22 -8.055 -10.363 6.377 1.00 0.00 C ATOM 411 CE LYS A 22 -6.737 -10.969 6.857 1.00 0.00 C ATOM 412 NZ LYS A 22 -6.559 -12.318 6.248 1.00 0.00 N ATOM 0 H LYS A 22 -9.224 -7.292 6.947 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.939 -8.822 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.257 -10.352 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.736 -10.981 6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.904 -9.807 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.068 -11.510 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.389 -10.864 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.915 -9.311 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.905 -10.321 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.734 -11.046 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.662 -12.731 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.347 -12.934 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.543 -12.232 5.212 1.00 0.00 H new ATOM 426 N GLY A 23 -12.169 -7.296 5.398 1.00 0.00 N ATOM 427 CA GLY A 23 -13.543 -6.846 5.033 1.00 0.00 C ATOM 428 C GLY A 23 -14.000 -5.761 6.009 1.00 0.00 C ATOM 429 O GLY A 23 -15.170 -5.441 6.093 1.00 0.00 O ATOM 0 H GLY A 23 -11.424 -6.637 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.552 -6.460 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.233 -7.689 5.061 1.00 0.00 H new ATOM 433 N GLY A 24 -13.087 -5.191 6.749 1.00 0.00 N ATOM 434 CA GLY A 24 -13.470 -4.125 7.718 1.00 0.00 C ATOM 435 C GLY A 24 -13.901 -2.868 6.959 1.00 0.00 C ATOM 436 O GLY A 24 -13.596 -2.699 5.796 1.00 0.00 O ATOM 0 H GLY A 24 -12.093 -5.418 6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.283 -4.474 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.629 -3.896 8.372 1.00 0.00 H new ATOM 440 N PRO A 25 -14.607 -1.993 7.622 1.00 0.00 N ATOM 441 CA PRO A 25 -15.098 -0.717 7.022 1.00 0.00 C ATOM 442 C PRO A 25 -13.957 0.111 6.423 1.00 0.00 C ATOM 443 O PRO A 25 -12.801 -0.089 6.740 1.00 0.00 O ATOM 444 CB PRO A 25 -15.749 0.034 8.192 1.00 0.00 C ATOM 445 CG PRO A 25 -15.335 -0.687 9.434 1.00 0.00 C ATOM 446 CD PRO A 25 -15.012 -2.122 9.025 1.00 0.00 C ATOM 0 HA PRO A 25 -15.789 -0.903 6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.421 1.073 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.834 0.045 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.466 -0.209 9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.133 -0.667 10.177 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.214 -2.544 9.636 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.877 -2.776 9.135 1.00 0.00 H new ATOM 454 N HIS A 26 -14.269 1.036 5.553 1.00 0.00 N ATOM 455 CA HIS A 26 -13.193 1.863 4.937 1.00 0.00 C ATOM 456 C HIS A 26 -13.087 3.206 5.657 1.00 0.00 C ATOM 457 O HIS A 26 -14.076 3.841 5.964 1.00 0.00 O ATOM 458 CB HIS A 26 -13.513 2.136 3.467 1.00 0.00 C ATOM 459 CG HIS A 26 -13.593 0.846 2.699 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.462 0.177 2.253 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.663 0.100 2.272 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.875 -0.918 1.588 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.205 -1.010 1.572 1.00 0.00 N ATOM 0 H HIS A 26 -15.217 1.253 5.245 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.254 1.315 5.021 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.458 2.673 3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.745 2.777 3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.701 0.339 2.452 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.211 -1.633 1.125 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.768 -1.741 1.137 1.00 0.00 H new ATOM 472 N LYS A 27 -11.886 3.655 5.897 1.00 0.00 N ATOM 473 CA LYS A 27 -11.693 4.970 6.563 1.00 0.00 C ATOM 474 C LYS A 27 -11.147 5.945 5.518 1.00 0.00 C ATOM 475 O LYS A 27 -11.571 5.937 4.380 1.00 0.00 O ATOM 476 CB LYS A 27 -10.692 4.824 7.713 1.00 0.00 C ATOM 477 CG LYS A 27 -11.264 3.873 8.767 1.00 0.00 C ATOM 478 CD LYS A 27 -10.322 3.819 9.971 1.00 0.00 C ATOM 479 CE LYS A 27 -10.833 2.783 10.973 1.00 0.00 C ATOM 480 NZ LYS A 27 -11.840 3.417 11.871 1.00 0.00 N ATOM 0 H LYS A 27 -11.025 3.163 5.658 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.635 5.337 6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.743 4.440 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.488 5.798 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.252 4.212 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.388 2.876 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.314 3.560 9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.263 4.799 10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.280 1.940 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.003 2.388 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.189 2.714 12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.399 4.207 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.636 3.773 11.304 1.00 0.00 H new ATOM 494 N VAL A 28 -10.204 6.769 5.873 1.00 0.00 N ATOM 495 CA VAL A 28 -9.645 7.710 4.864 1.00 0.00 C ATOM 496 C VAL A 28 -9.063 6.894 3.712 1.00 0.00 C ATOM 497 O VAL A 28 -9.167 7.264 2.560 1.00 0.00 O ATOM 498 CB VAL A 28 -8.542 8.560 5.497 1.00 0.00 C ATOM 499 CG1 VAL A 28 -7.836 9.371 4.410 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.157 9.513 6.523 1.00 0.00 C ATOM 0 H VAL A 28 -9.799 6.833 6.807 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.431 8.371 4.499 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.821 7.909 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.050 9.977 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.397 8.693 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.557 10.022 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.371 10.119 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.878 10.164 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.661 8.937 7.299 1.00 0.00 H new ATOM 510 N GLY A 29 -8.456 5.779 4.020 1.00 0.00 N ATOM 511 CA GLY A 29 -7.867 4.924 2.952 1.00 0.00 C ATOM 512 C GLY A 29 -8.681 3.629 2.836 1.00 0.00 C ATOM 513 O GLY A 29 -9.340 3.218 3.771 1.00 0.00 O ATOM 0 H GLY A 29 -8.343 5.423 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.870 5.456 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.827 4.694 3.185 1.00 0.00 H new ATOM 517 N PRO A 30 -8.640 2.996 1.693 1.00 0.00 N ATOM 518 CA PRO A 30 -9.389 1.728 1.439 1.00 0.00 C ATOM 519 C PRO A 30 -8.968 0.589 2.373 1.00 0.00 C ATOM 520 O PRO A 30 -7.885 0.591 2.926 1.00 0.00 O ATOM 521 CB PRO A 30 -9.059 1.369 -0.014 1.00 0.00 C ATOM 522 CG PRO A 30 -7.871 2.192 -0.390 1.00 0.00 C ATOM 523 CD PRO A 30 -7.872 3.422 0.517 1.00 0.00 C ATOM 0 HA PRO A 30 -10.455 1.867 1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.842 0.305 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.904 1.583 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.951 1.621 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.922 2.486 -1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.859 3.719 0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.335 4.279 0.027 1.00 0.00 H new ATOM 531 N ASN A 31 -9.817 -0.391 2.540 1.00 0.00 N ATOM 532 CA ASN A 31 -9.474 -1.542 3.424 1.00 0.00 C ATOM 533 C ASN A 31 -8.111 -2.096 3.009 1.00 0.00 C ATOM 534 O ASN A 31 -7.396 -2.673 3.803 1.00 0.00 O ATOM 535 CB ASN A 31 -10.538 -2.634 3.273 1.00 0.00 C ATOM 536 CG ASN A 31 -10.411 -3.641 4.418 1.00 0.00 C ATOM 537 OD1 ASN A 31 -10.865 -3.388 5.517 1.00 0.00 O ATOM 538 ND2 ASN A 31 -9.811 -4.779 4.207 1.00 0.00 N ATOM 0 H ASN A 31 -10.736 -0.443 2.100 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.439 -1.215 4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.533 -2.189 3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.419 -3.141 2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.723 -5.457 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.430 -4.991 3.285 1.00 0.00 H new ATOM 545 N LEU A 32 -7.753 -1.922 1.764 1.00 0.00 N ATOM 546 CA LEU A 32 -6.439 -2.429 1.270 1.00 0.00 C ATOM 547 C LEU A 32 -6.474 -3.956 1.231 1.00 0.00 C ATOM 548 O LEU A 32 -5.767 -4.630 1.953 1.00 0.00 O ATOM 549 CB LEU A 32 -5.324 -1.941 2.211 1.00 0.00 C ATOM 550 CG LEU A 32 -3.964 -1.910 1.497 1.00 0.00 C ATOM 551 CD1 LEU A 32 -4.034 -1.015 0.264 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.917 -1.330 2.442 1.00 0.00 C ATOM 0 H LEU A 32 -8.320 -1.446 1.062 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.243 -2.054 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.566 -0.944 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.266 -2.596 3.080 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.702 -2.926 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.063 -1.002 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.788 -1.400 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.301 -0.002 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.949 -1.305 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.205 -0.318 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.848 -1.952 3.334 1.00 0.00 H new ATOM 564 N HIS A 33 -7.302 -4.500 0.380 1.00 0.00 N ATOM 565 CA HIS A 33 -7.406 -5.980 0.269 1.00 0.00 C ATOM 566 C HIS A 33 -7.750 -6.352 -1.176 1.00 0.00 C ATOM 567 O HIS A 33 -7.809 -7.514 -1.528 1.00 0.00 O ATOM 568 CB HIS A 33 -8.512 -6.481 1.197 1.00 0.00 C ATOM 569 CG HIS A 33 -7.968 -7.560 2.090 1.00 0.00 C ATOM 570 ND1 HIS A 33 -7.121 -7.282 3.153 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.139 -8.923 2.093 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.816 -8.450 3.746 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.411 -9.479 3.138 1.00 0.00 N ATOM 0 H HIS A 33 -7.914 -3.977 -0.246 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.458 -6.438 0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.898 -5.657 1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.346 -6.866 0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.745 -9.477 1.392 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.170 -8.544 4.607 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.345 -10.466 3.388 1.00 0.00 H new ATOM 582 N GLY A 34 -7.986 -5.376 -2.013 1.00 0.00 N ATOM 583 CA GLY A 34 -8.335 -5.680 -3.431 1.00 0.00 C ATOM 584 C GLY A 34 -7.594 -4.727 -4.373 1.00 0.00 C ATOM 585 O GLY A 34 -7.776 -4.767 -5.573 1.00 0.00 O ATOM 0 H GLY A 34 -7.952 -4.384 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.072 -6.712 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.411 -5.584 -3.577 1.00 0.00 H new ATOM 589 N ILE A 35 -6.755 -3.875 -3.848 1.00 0.00 N ATOM 590 CA ILE A 35 -6.009 -2.932 -4.730 1.00 0.00 C ATOM 591 C ILE A 35 -5.315 -3.727 -5.837 1.00 0.00 C ATOM 592 O ILE A 35 -5.203 -3.272 -6.957 1.00 0.00 O ATOM 593 CB ILE A 35 -4.972 -2.155 -3.893 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.704 -1.203 -2.940 1.00 0.00 C ATOM 595 CG2 ILE A 35 -4.029 -1.331 -4.786 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.794 -0.016 -2.606 1.00 0.00 C ATOM 0 H ILE A 35 -6.555 -3.791 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.698 -2.218 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.377 -2.879 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.627 -0.849 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.984 -1.729 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.312 -0.797 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.495 -1.997 -5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.611 -0.614 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.314 0.661 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.883 -0.379 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.537 0.515 -3.523 1.00 0.00 H new ATOM 608 N PHE A 36 -4.845 -4.903 -5.539 1.00 0.00 N ATOM 609 CA PHE A 36 -4.150 -5.706 -6.584 1.00 0.00 C ATOM 610 C PHE A 36 -5.181 -6.482 -7.409 1.00 0.00 C ATOM 611 O PHE A 36 -6.017 -7.181 -6.872 1.00 0.00 O ATOM 612 CB PHE A 36 -3.198 -6.695 -5.908 1.00 0.00 C ATOM 613 CG PHE A 36 -2.238 -5.943 -5.017 1.00 0.00 C ATOM 614 CD1 PHE A 36 -1.092 -5.355 -5.560 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.495 -5.839 -3.644 1.00 0.00 C ATOM 616 CE1 PHE A 36 -0.202 -4.659 -4.733 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.605 -5.144 -2.816 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.459 -4.555 -3.360 1.00 0.00 C ATOM 0 H PHE A 36 -4.910 -5.343 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.589 -5.040 -7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.765 -7.418 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.647 -7.258 -6.661 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.893 -5.438 -6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.379 -6.295 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.682 -4.203 -5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.803 -5.063 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.228 -4.020 -2.721 1.00 0.00 H new ATOM 628 N GLY A 37 -5.121 -6.368 -8.711 1.00 0.00 N ATOM 629 CA GLY A 37 -6.091 -7.105 -9.572 1.00 0.00 C ATOM 630 C GLY A 37 -6.697 -6.161 -10.616 1.00 0.00 C ATOM 631 O GLY A 37 -6.621 -4.955 -10.498 1.00 0.00 O ATOM 0 H GLY A 37 -4.442 -5.796 -9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.589 -7.935 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.882 -7.534 -8.956 1.00 0.00 H new ATOM 635 N ARG A 38 -7.307 -6.717 -11.630 1.00 0.00 N ATOM 636 CA ARG A 38 -7.943 -5.889 -12.702 1.00 0.00 C ATOM 637 C ARG A 38 -7.149 -4.605 -12.949 1.00 0.00 C ATOM 638 O ARG A 38 -5.970 -4.634 -13.237 1.00 0.00 O ATOM 639 CB ARG A 38 -9.370 -5.523 -12.285 1.00 0.00 C ATOM 640 CG ARG A 38 -10.223 -6.789 -12.157 1.00 0.00 C ATOM 641 CD ARG A 38 -10.609 -7.302 -13.549 1.00 0.00 C ATOM 642 NE ARG A 38 -11.672 -8.339 -13.416 1.00 0.00 N ATOM 643 CZ ARG A 38 -12.099 -8.975 -14.472 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.595 -8.704 -15.646 1.00 0.00 N ATOM 645 NH2 ARG A 38 -13.029 -9.883 -14.357 1.00 0.00 N ATOM 0 H ARG A 38 -7.393 -7.724 -11.764 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.956 -6.473 -13.622 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.354 -4.989 -11.335 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.811 -4.851 -13.021 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.670 -7.558 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.121 -6.576 -11.577 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.965 -6.478 -14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.736 -7.722 -14.049 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.065 -8.551 -12.499 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.867 -7.995 -15.737 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.929 -9.201 -16.472 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.423 -10.096 -13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.362 -10.380 -15.183 1.00 0.00 H new ATOM 659 N HIS A 39 -7.803 -3.477 -12.857 1.00 0.00 N ATOM 660 CA HIS A 39 -7.108 -2.184 -13.107 1.00 0.00 C ATOM 661 C HIS A 39 -6.893 -1.447 -11.788 1.00 0.00 C ATOM 662 O HIS A 39 -7.265 -1.917 -10.732 1.00 0.00 O ATOM 663 CB HIS A 39 -7.968 -1.320 -14.033 1.00 0.00 C ATOM 664 CG HIS A 39 -8.262 -2.077 -15.297 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.248 -1.677 -16.188 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.709 -3.214 -15.835 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.259 -2.560 -17.205 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.341 -3.514 -17.036 1.00 0.00 N ATOM 0 H HIS A 39 -8.792 -3.397 -12.619 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.142 -2.379 -13.572 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.899 -1.049 -13.534 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.449 -0.390 -14.266 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.907 -3.786 -15.393 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.927 -2.503 -18.052 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.145 -4.298 -17.658 1.00 0.00 H new ATOM 677 N SER A 40 -6.285 -0.297 -11.847 1.00 0.00 N ATOM 678 CA SER A 40 -6.031 0.476 -10.604 1.00 0.00 C ATOM 679 C SER A 40 -7.355 0.754 -9.888 1.00 0.00 C ATOM 680 O SER A 40 -8.405 0.798 -10.496 1.00 0.00 O ATOM 681 CB SER A 40 -5.358 1.798 -10.964 1.00 0.00 C ATOM 682 OG SER A 40 -5.011 1.789 -12.341 1.00 0.00 O ATOM 0 H SER A 40 -5.952 0.141 -12.706 1.00 0.00 H new ATOM 0 HA SER A 40 -5.382 -0.099 -9.944 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.029 2.630 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.467 1.943 -10.354 1.00 0.00 H new ATOM 0 HG SER A 40 -4.426 1.025 -12.526 1.00 0.00 H new ATOM 688 N GLY A 41 -7.308 0.946 -8.597 1.00 0.00 N ATOM 689 CA GLY A 41 -8.559 1.225 -7.836 1.00 0.00 C ATOM 690 C GLY A 41 -9.557 0.082 -8.043 1.00 0.00 C ATOM 691 O GLY A 41 -10.148 -0.051 -9.095 1.00 0.00 O ATOM 0 H GLY A 41 -6.456 0.922 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.333 1.336 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.996 2.166 -8.169 1.00 0.00 H new ATOM 695 N GLN A 42 -9.748 -0.744 -7.046 1.00 0.00 N ATOM 696 CA GLN A 42 -10.708 -1.880 -7.192 1.00 0.00 C ATOM 697 C GLN A 42 -11.583 -2.001 -5.939 1.00 0.00 C ATOM 698 O GLN A 42 -12.545 -2.742 -5.916 1.00 0.00 O ATOM 699 CB GLN A 42 -9.927 -3.181 -7.390 1.00 0.00 C ATOM 700 CG GLN A 42 -9.121 -3.101 -8.688 1.00 0.00 C ATOM 701 CD GLN A 42 -7.628 -3.081 -8.360 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.044 -4.107 -8.073 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.984 -1.946 -8.387 1.00 0.00 N ATOM 0 H GLN A 42 -9.283 -0.682 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.347 -1.694 -8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.259 -3.349 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.613 -4.027 -7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.353 -3.954 -9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.394 -2.204 -9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.476 -1.086 -8.628 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.988 -1.919 -8.167 1.00 0.00 H new ATOM 712 N ALA A 43 -11.261 -1.283 -4.898 1.00 0.00 N ATOM 713 CA ALA A 43 -12.081 -1.366 -3.657 1.00 0.00 C ATOM 714 C ALA A 43 -13.540 -1.039 -3.986 1.00 0.00 C ATOM 715 O ALA A 43 -13.827 -0.130 -4.739 1.00 0.00 O ATOM 716 CB ALA A 43 -11.554 -0.357 -2.632 1.00 0.00 C ATOM 0 H ALA A 43 -10.467 -0.644 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.017 -2.373 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.152 -0.416 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.514 -0.586 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.620 0.649 -3.045 1.00 0.00 H new ATOM 722 N GLU A 44 -14.465 -1.776 -3.430 1.00 0.00 N ATOM 723 CA GLU A 44 -15.903 -1.506 -3.718 1.00 0.00 C ATOM 724 C GLU A 44 -16.434 -0.425 -2.770 1.00 0.00 C ATOM 725 O GLU A 44 -16.894 0.615 -3.196 1.00 0.00 O ATOM 726 CB GLU A 44 -16.710 -2.791 -3.523 1.00 0.00 C ATOM 727 CG GLU A 44 -16.245 -3.845 -4.531 1.00 0.00 C ATOM 728 CD GLU A 44 -17.097 -5.106 -4.381 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.862 -5.172 -3.432 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.972 -5.985 -5.217 1.00 0.00 O ATOM 0 H GLU A 44 -14.287 -2.551 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.002 -1.160 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.581 -3.163 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.773 -2.589 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.329 -3.455 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.194 -4.082 -4.367 1.00 0.00 H new ATOM 737 N GLY A 45 -16.378 -0.666 -1.487 1.00 0.00 N ATOM 738 CA GLY A 45 -16.885 0.348 -0.516 1.00 0.00 C ATOM 739 C GLY A 45 -16.081 1.642 -0.656 1.00 0.00 C ATOM 740 O GLY A 45 -16.622 2.729 -0.619 1.00 0.00 O ATOM 0 H GLY A 45 -16.004 -1.519 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.942 0.543 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.802 -0.035 0.501 1.00 0.00 H new ATOM 744 N TYR A 46 -14.792 1.531 -0.823 1.00 0.00 N ATOM 745 CA TYR A 46 -13.950 2.751 -0.973 1.00 0.00 C ATOM 746 C TYR A 46 -13.696 3.019 -2.456 1.00 0.00 C ATOM 747 O TYR A 46 -13.430 2.116 -3.223 1.00 0.00 O ATOM 748 CB TYR A 46 -12.613 2.544 -0.259 1.00 0.00 C ATOM 749 CG TYR A 46 -11.682 3.680 -0.599 1.00 0.00 C ATOM 750 CD1 TYR A 46 -10.934 3.634 -1.782 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.561 4.774 0.263 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.066 4.681 -2.103 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.694 5.824 -0.058 1.00 0.00 C ATOM 754 CZ TYR A 46 -9.946 5.779 -1.241 1.00 0.00 C ATOM 755 OH TYR A 46 -9.089 6.814 -1.556 1.00 0.00 O ATOM 0 H TYR A 46 -14.285 0.647 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.469 3.602 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.768 2.496 0.819 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.171 1.594 -0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -11.028 2.788 -2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.137 4.809 1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.488 4.644 -3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.602 6.670 0.607 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.127 7.496 -0.853 1.00 0.00 H new ATOM 765 N SER A 47 -13.775 4.258 -2.861 1.00 0.00 N ATOM 766 CA SER A 47 -13.539 4.596 -4.293 1.00 0.00 C ATOM 767 C SER A 47 -12.224 5.364 -4.421 1.00 0.00 C ATOM 768 O SER A 47 -11.767 5.992 -3.487 1.00 0.00 O ATOM 769 CB SER A 47 -14.689 5.464 -4.807 1.00 0.00 C ATOM 770 OG SER A 47 -14.670 6.715 -4.133 1.00 0.00 O ATOM 0 H SER A 47 -13.993 5.052 -2.260 1.00 0.00 H new ATOM 0 HA SER A 47 -13.485 3.680 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.593 5.616 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.642 4.962 -4.640 1.00 0.00 H new ATOM 0 HG SER A 47 -15.405 7.275 -4.461 1.00 0.00 H new ATOM 776 N TYR A 48 -11.611 5.317 -5.571 1.00 0.00 N ATOM 777 CA TYR A 48 -10.323 6.040 -5.765 1.00 0.00 C ATOM 778 C TYR A 48 -10.569 7.272 -6.633 1.00 0.00 C ATOM 779 O TYR A 48 -11.590 7.391 -7.281 1.00 0.00 O ATOM 780 CB TYR A 48 -9.322 5.117 -6.461 1.00 0.00 C ATOM 781 CG TYR A 48 -9.276 3.799 -5.732 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.314 2.882 -5.903 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.204 3.494 -4.886 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.284 1.659 -5.229 1.00 0.00 C ATOM 785 CE2 TYR A 48 -8.171 2.269 -4.212 1.00 0.00 C ATOM 786 CZ TYR A 48 -9.212 1.350 -4.384 1.00 0.00 C ATOM 787 OH TYR A 48 -9.181 0.141 -3.720 1.00 0.00 O ATOM 0 H TYR A 48 -11.948 4.807 -6.388 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.922 6.345 -4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.613 4.962 -7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.333 5.575 -6.472 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.141 3.118 -6.557 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.402 4.205 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.089 0.951 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.343 2.033 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.590 -0.479 -4.196 1.00 0.00 H new ATOM 797 N THR A 49 -9.648 8.192 -6.650 1.00 0.00 N ATOM 798 CA THR A 49 -9.843 9.415 -7.475 1.00 0.00 C ATOM 799 C THR A 49 -9.910 9.011 -8.945 1.00 0.00 C ATOM 800 O THR A 49 -9.481 7.939 -9.324 1.00 0.00 O ATOM 801 CB THR A 49 -8.665 10.373 -7.277 1.00 0.00 C ATOM 802 OG1 THR A 49 -7.735 10.194 -8.334 1.00 0.00 O ATOM 803 CG2 THR A 49 -7.975 10.079 -5.945 1.00 0.00 C ATOM 0 H THR A 49 -8.771 8.151 -6.130 1.00 0.00 H new ATOM 0 HA THR A 49 -10.765 9.911 -7.174 1.00 0.00 H new ATOM 0 HB THR A 49 -9.032 11.399 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.390 11.066 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.138 10.764 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.687 10.211 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.608 9.053 -5.944 1.00 0.00 H new ATOM 811 N ASP A 50 -10.441 9.858 -9.779 1.00 0.00 N ATOM 812 CA ASP A 50 -10.525 9.511 -11.221 1.00 0.00 C ATOM 813 C ASP A 50 -9.118 9.271 -11.768 1.00 0.00 C ATOM 814 O ASP A 50 -8.924 8.516 -12.697 1.00 0.00 O ATOM 815 CB ASP A 50 -11.211 10.648 -11.990 1.00 0.00 C ATOM 816 CG ASP A 50 -10.408 11.945 -11.848 1.00 0.00 C ATOM 817 OD1 ASP A 50 -9.314 11.893 -11.316 1.00 0.00 O ATOM 818 OD2 ASP A 50 -10.906 12.973 -12.278 1.00 0.00 O ATOM 0 H ASP A 50 -10.819 10.771 -9.526 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.114 8.602 -11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.301 10.381 -13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.222 10.795 -11.610 1.00 0.00 H new ATOM 823 N ALA A 51 -8.129 9.906 -11.201 1.00 0.00 N ATOM 824 CA ALA A 51 -6.741 9.709 -11.700 1.00 0.00 C ATOM 825 C ALA A 51 -6.375 8.225 -11.646 1.00 0.00 C ATOM 826 O ALA A 51 -5.985 7.640 -12.633 1.00 0.00 O ATOM 827 CB ALA A 51 -5.769 10.507 -10.828 1.00 0.00 C ATOM 0 H ALA A 51 -8.223 10.551 -10.416 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.677 10.056 -12.731 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.752 10.364 -11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.025 11.566 -10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.837 10.161 -9.797 1.00 0.00 H new ATOM 833 N ASN A 52 -6.504 7.606 -10.508 1.00 0.00 N ATOM 834 CA ASN A 52 -6.160 6.156 -10.414 1.00 0.00 C ATOM 835 C ASN A 52 -6.973 5.363 -11.444 1.00 0.00 C ATOM 836 O ASN A 52 -6.475 4.449 -12.071 1.00 0.00 O ATOM 837 CB ASN A 52 -6.477 5.653 -9.003 1.00 0.00 C ATOM 838 CG ASN A 52 -5.939 4.231 -8.827 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.862 3.915 -9.288 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.653 3.353 -8.172 1.00 0.00 N ATOM 0 H ASN A 52 -6.830 8.035 -9.642 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.098 6.018 -10.619 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.030 6.315 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.554 5.668 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.305 2.402 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.558 3.619 -7.785 1.00 0.00 H new ATOM 847 N ILE A 53 -8.221 5.699 -11.616 1.00 0.00 N ATOM 848 CA ILE A 53 -9.073 4.959 -12.596 1.00 0.00 C ATOM 849 C ILE A 53 -8.681 5.294 -14.044 1.00 0.00 C ATOM 850 O ILE A 53 -8.579 4.421 -14.883 1.00 0.00 O ATOM 851 CB ILE A 53 -10.538 5.337 -12.373 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.941 4.990 -10.938 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.420 4.559 -13.350 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.361 5.491 -10.672 1.00 0.00 C ATOM 0 H ILE A 53 -8.691 6.456 -11.120 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.925 3.890 -12.440 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.666 6.407 -12.539 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.890 3.912 -10.785 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.245 5.445 -10.233 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.464 4.828 -13.191 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.134 4.804 -14.373 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.292 3.489 -13.183 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.648 5.244 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.397 6.572 -10.808 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.051 5.015 -11.368 1.00 0.00 H new ATOM 866 N LYS A 54 -8.487 6.550 -14.356 1.00 0.00 N ATOM 867 CA LYS A 54 -8.136 6.928 -15.758 1.00 0.00 C ATOM 868 C LYS A 54 -6.835 6.256 -16.204 1.00 0.00 C ATOM 869 O LYS A 54 -6.714 5.818 -17.332 1.00 0.00 O ATOM 870 CB LYS A 54 -7.986 8.446 -15.852 1.00 0.00 C ATOM 871 CG LYS A 54 -9.362 9.104 -15.728 1.00 0.00 C ATOM 872 CD LYS A 54 -9.224 10.618 -15.906 1.00 0.00 C ATOM 873 CE LYS A 54 -10.580 11.285 -15.674 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.448 12.323 -14.614 1.00 0.00 N ATOM 0 H LYS A 54 -8.556 7.329 -13.701 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.937 6.590 -16.416 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.326 8.806 -15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.525 8.718 -16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.039 8.699 -16.480 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.797 8.880 -14.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.488 11.012 -15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.862 10.845 -16.909 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.937 11.738 -16.599 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.318 10.540 -15.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.292 12.308 -14.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.604 12.127 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.356 13.260 -15.055 1.00 0.00 H new ATOM 888 N LYS A 55 -5.861 6.172 -15.347 1.00 0.00 N ATOM 889 CA LYS A 55 -4.579 5.525 -15.754 1.00 0.00 C ATOM 890 C LYS A 55 -4.852 4.081 -16.176 1.00 0.00 C ATOM 891 O LYS A 55 -4.193 3.544 -17.044 1.00 0.00 O ATOM 892 CB LYS A 55 -3.586 5.551 -14.587 1.00 0.00 C ATOM 893 CG LYS A 55 -3.293 7.000 -14.171 1.00 0.00 C ATOM 894 CD LYS A 55 -2.470 7.710 -15.252 1.00 0.00 C ATOM 895 CE LYS A 55 -1.912 9.023 -14.694 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.424 8.965 -14.682 1.00 0.00 N ATOM 0 H LYS A 55 -5.892 6.519 -14.388 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.148 6.072 -16.593 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.994 4.998 -13.741 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.660 5.054 -14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.229 7.535 -14.008 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.750 7.011 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.654 7.068 -15.582 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.092 7.909 -16.125 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.249 9.862 -15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.288 9.191 -13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.038 9.927 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.100 8.545 -13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.093 8.383 -15.478 1.00 0.00 H new ATOM 910 N ASN A 56 -5.819 3.446 -15.573 1.00 0.00 N ATOM 911 CA ASN A 56 -6.129 2.040 -15.951 1.00 0.00 C ATOM 912 C ASN A 56 -4.872 1.185 -15.793 1.00 0.00 C ATOM 913 O ASN A 56 -4.508 0.436 -16.678 1.00 0.00 O ATOM 914 CB ASN A 56 -6.599 1.992 -17.407 1.00 0.00 C ATOM 915 CG ASN A 56 -7.426 0.724 -17.640 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.292 0.701 -18.493 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.193 -0.342 -16.920 1.00 0.00 N ATOM 0 H ASN A 56 -6.406 3.839 -14.837 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.917 1.655 -15.304 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.196 2.875 -17.636 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.740 2.006 -18.077 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.737 -1.191 -17.074 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.467 -0.325 -16.204 1.00 0.00 H new ATOM 924 N VAL A 57 -4.213 1.291 -14.672 1.00 0.00 N ATOM 925 CA VAL A 57 -2.981 0.487 -14.448 1.00 0.00 C ATOM 926 C VAL A 57 -3.240 -0.517 -13.327 1.00 0.00 C ATOM 927 O VAL A 57 -3.858 -0.205 -12.329 1.00 0.00 O ATOM 928 CB VAL A 57 -1.827 1.419 -14.058 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.204 2.216 -12.808 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.577 0.585 -13.766 1.00 0.00 C ATOM 0 H VAL A 57 -4.477 1.902 -13.899 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.714 -0.047 -15.360 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.628 2.107 -14.880 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.381 2.876 -12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.095 2.811 -13.011 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.406 1.529 -11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.244 1.246 -13.489 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.782 -0.103 -12.946 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.302 0.018 -14.655 1.00 0.00 H new ATOM 940 N LEU A 58 -2.783 -1.727 -13.487 1.00 0.00 N ATOM 941 CA LEU A 58 -3.020 -2.748 -12.432 1.00 0.00 C ATOM 942 C LEU A 58 -1.982 -2.595 -11.322 1.00 0.00 C ATOM 943 O LEU A 58 -0.804 -2.437 -11.573 1.00 0.00 O ATOM 944 CB LEU A 58 -2.951 -4.160 -13.042 1.00 0.00 C ATOM 945 CG LEU A 58 -1.496 -4.590 -13.299 1.00 0.00 C ATOM 946 CD1 LEU A 58 -1.487 -6.011 -13.864 1.00 0.00 C ATOM 947 CD2 LEU A 58 -0.848 -3.646 -14.313 1.00 0.00 C ATOM 0 H LEU A 58 -2.258 -2.051 -14.299 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.013 -2.602 -12.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.429 -4.872 -12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.509 -4.181 -13.978 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.938 -4.555 -12.363 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.459 -6.323 -14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.949 -6.690 -13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.047 -6.034 -14.799 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.182 -3.955 -14.491 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.404 -3.681 -15.250 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.859 -2.629 -13.922 1.00 0.00 H new ATOM 959 N TRP A 59 -2.410 -2.646 -10.093 1.00 0.00 N ATOM 960 CA TRP A 59 -1.448 -2.514 -8.969 1.00 0.00 C ATOM 961 C TRP A 59 -0.698 -3.834 -8.803 1.00 0.00 C ATOM 962 O TRP A 59 -1.285 -4.898 -8.814 1.00 0.00 O ATOM 963 CB TRP A 59 -2.210 -2.184 -7.685 1.00 0.00 C ATOM 964 CG TRP A 59 -2.552 -0.730 -7.664 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.795 -0.221 -7.802 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.661 0.404 -7.486 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.723 1.162 -7.733 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.426 1.592 -7.536 1.00 0.00 C ATOM 969 CE3 TRP A 59 -0.274 0.514 -7.293 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.835 2.846 -7.396 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.326 1.773 -7.150 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.454 2.938 -7.201 1.00 0.00 C ATOM 0 H TRP A 59 -3.384 -2.773 -9.819 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.737 -1.714 -9.177 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.119 -2.782 -7.626 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.604 -2.438 -6.815 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.698 -0.797 -7.943 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.527 1.784 -7.817 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.334 -0.377 -7.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.439 3.740 -7.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.393 1.846 -7.000 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.012 3.906 -7.090 1.00 0.00 H new ATOM 983 N ASP A 60 0.594 -3.775 -8.652 1.00 0.00 N ATOM 984 CA ASP A 60 1.389 -5.024 -8.490 1.00 0.00 C ATOM 985 C ASP A 60 2.491 -4.781 -7.463 1.00 0.00 C ATOM 986 O ASP A 60 2.741 -3.662 -7.063 1.00 0.00 O ATOM 987 CB ASP A 60 2.023 -5.409 -9.828 1.00 0.00 C ATOM 988 CG ASP A 60 0.929 -5.726 -10.849 1.00 0.00 C ATOM 989 OD1 ASP A 60 -0.162 -6.078 -10.431 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.200 -5.611 -12.034 1.00 0.00 O ATOM 0 H ASP A 60 1.137 -2.912 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 60 0.737 -5.831 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.648 -4.594 -10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.673 -6.274 -9.697 1.00 0.00 H new ATOM 995 N GLU A 61 3.156 -5.815 -7.037 1.00 0.00 N ATOM 996 CA GLU A 61 4.244 -5.622 -6.043 1.00 0.00 C ATOM 997 C GLU A 61 5.317 -4.726 -6.660 1.00 0.00 C ATOM 998 O GLU A 61 5.884 -3.875 -6.006 1.00 0.00 O ATOM 999 CB GLU A 61 4.850 -6.978 -5.684 1.00 0.00 C ATOM 1000 CG GLU A 61 3.778 -7.860 -5.043 1.00 0.00 C ATOM 1001 CD GLU A 61 4.393 -9.198 -4.637 1.00 0.00 C ATOM 1002 OE1 GLU A 61 5.544 -9.425 -4.974 1.00 0.00 O ATOM 1003 OE2 GLU A 61 3.705 -9.973 -3.999 1.00 0.00 O ATOM 0 H GLU A 61 2.995 -6.778 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 61 3.849 -5.157 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.246 -7.460 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.686 -6.845 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.357 -7.362 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.959 -8.022 -5.744 1.00 0.00 H new ATOM 1010 N ASN A 62 5.588 -4.904 -7.925 1.00 0.00 N ATOM 1011 CA ASN A 62 6.610 -4.054 -8.594 1.00 0.00 C ATOM 1012 C ASN A 62 6.119 -2.607 -8.615 1.00 0.00 C ATOM 1013 O ASN A 62 6.859 -1.682 -8.349 1.00 0.00 O ATOM 1014 CB ASN A 62 6.819 -4.540 -10.028 1.00 0.00 C ATOM 1015 CG ASN A 62 7.438 -5.939 -10.009 1.00 0.00 C ATOM 1016 OD1 ASN A 62 7.972 -6.367 -9.005 1.00 0.00 O ATOM 1017 ND2 ASN A 62 7.390 -6.676 -11.085 1.00 0.00 N ATOM 0 H ASN A 62 5.145 -5.602 -8.523 1.00 0.00 H new ATOM 0 HA ASN A 62 7.553 -4.116 -8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.867 -4.559 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.470 -3.850 -10.566 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.800 -7.610 -11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.942 -6.318 -11.929 1.00 0.00 H new ATOM 1024 N ASN A 63 4.867 -2.411 -8.925 1.00 0.00 N ATOM 1025 CA ASN A 63 4.314 -1.029 -8.957 1.00 0.00 C ATOM 1026 C ASN A 63 4.449 -0.408 -7.567 1.00 0.00 C ATOM 1027 O ASN A 63 4.721 0.767 -7.421 1.00 0.00 O ATOM 1028 CB ASN A 63 2.836 -1.074 -9.352 1.00 0.00 C ATOM 1029 CG ASN A 63 2.697 -1.636 -10.769 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.655 -1.679 -11.514 1.00 0.00 O ATOM 1031 ND2 ASN A 63 1.534 -2.074 -11.173 1.00 0.00 N ATOM 0 H ASN A 63 4.203 -3.149 -9.158 1.00 0.00 H new ATOM 0 HA ASN A 63 4.862 -0.432 -9.686 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.280 -1.694 -8.648 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.406 -0.074 -9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.431 -2.452 -12.115 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.730 -2.038 -10.547 1.00 0.00 H new ATOM 1038 N MET A 64 4.261 -1.195 -6.541 1.00 0.00 N ATOM 1039 CA MET A 64 4.381 -0.658 -5.159 1.00 0.00 C ATOM 1040 C MET A 64 5.795 -0.120 -4.941 1.00 0.00 C ATOM 1041 O MET A 64 5.989 0.906 -4.320 1.00 0.00 O ATOM 1042 CB MET A 64 4.106 -1.775 -4.151 1.00 0.00 C ATOM 1043 CG MET A 64 2.618 -1.811 -3.797 1.00 0.00 C ATOM 1044 SD MET A 64 1.629 -1.488 -5.275 1.00 0.00 S ATOM 1045 CE MET A 64 0.032 -1.323 -4.440 1.00 0.00 C ATOM 0 H MET A 64 4.030 -2.186 -6.603 1.00 0.00 H new ATOM 0 HA MET A 64 3.658 0.146 -5.020 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.412 -2.735 -4.568 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.698 -1.616 -3.250 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.358 -2.784 -3.379 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.399 -1.066 -3.032 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.722 -1.895 -4.981 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.113 -1.702 -3.421 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.258 -0.273 -4.414 1.00 0.00 H new ATOM 1055 N SER A 65 6.788 -0.801 -5.448 1.00 0.00 N ATOM 1056 CA SER A 65 8.184 -0.316 -5.264 1.00 0.00 C ATOM 1057 C SER A 65 8.314 1.070 -5.894 1.00 0.00 C ATOM 1058 O SER A 65 8.888 1.975 -5.320 1.00 0.00 O ATOM 1059 CB SER A 65 9.155 -1.280 -5.945 1.00 0.00 C ATOM 1060 OG SER A 65 8.937 -2.594 -5.449 1.00 0.00 O ATOM 0 H SER A 65 6.693 -1.667 -5.978 1.00 0.00 H new ATOM 0 HA SER A 65 8.419 -0.263 -4.201 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.010 -1.258 -7.025 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.184 -0.973 -5.755 1.00 0.00 H new ATOM 0 HG SER A 65 9.557 -3.215 -5.885 1.00 0.00 H new ATOM 1066 N GLU A 66 7.770 1.244 -7.065 1.00 0.00 N ATOM 1067 CA GLU A 66 7.842 2.570 -7.731 1.00 0.00 C ATOM 1068 C GLU A 66 6.965 3.560 -6.966 1.00 0.00 C ATOM 1069 O GLU A 66 7.263 4.735 -6.879 1.00 0.00 O ATOM 1070 CB GLU A 66 7.337 2.440 -9.168 1.00 0.00 C ATOM 1071 CG GLU A 66 8.285 1.542 -9.965 1.00 0.00 C ATOM 1072 CD GLU A 66 7.817 1.467 -11.419 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.732 1.949 -11.696 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.552 0.929 -12.230 1.00 0.00 O ATOM 0 H GLU A 66 7.277 0.522 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 66 8.872 2.926 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.331 2.020 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.275 3.424 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.300 1.936 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.310 0.544 -9.528 1.00 0.00 H new ATOM 1081 N TYR A 67 5.879 3.091 -6.417 1.00 0.00 N ATOM 1082 CA TYR A 67 4.970 3.996 -5.660 1.00 0.00 C ATOM 1083 C TYR A 67 5.695 4.594 -4.455 1.00 0.00 C ATOM 1084 O TYR A 67 5.691 5.793 -4.250 1.00 0.00 O ATOM 1085 CB TYR A 67 3.764 3.199 -5.167 1.00 0.00 C ATOM 1086 CG TYR A 67 2.926 4.080 -4.277 1.00 0.00 C ATOM 1087 CD1 TYR A 67 1.994 4.955 -4.837 1.00 0.00 C ATOM 1088 CD2 TYR A 67 3.093 4.027 -2.891 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.226 5.780 -4.009 1.00 0.00 C ATOM 1090 CE2 TYR A 67 2.328 4.851 -2.062 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.393 5.730 -2.621 1.00 0.00 C ATOM 1092 OH TYR A 67 0.636 6.545 -1.804 1.00 0.00 O ATOM 0 H TYR A 67 5.581 2.116 -6.460 1.00 0.00 H new ATOM 0 HA TYR A 67 4.648 4.802 -6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.173 2.848 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.094 2.316 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.866 4.995 -5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.814 3.348 -2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.503 6.456 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.458 4.810 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.231 6.717 -2.227 1.00 0.00 H new ATOM 1102 N LEU A 68 6.311 3.775 -3.652 1.00 0.00 N ATOM 1103 CA LEU A 68 7.026 4.301 -2.462 1.00 0.00 C ATOM 1104 C LEU A 68 8.200 5.171 -2.906 1.00 0.00 C ATOM 1105 O LEU A 68 8.469 6.208 -2.334 1.00 0.00 O ATOM 1106 CB LEU A 68 7.526 3.125 -1.626 1.00 0.00 C ATOM 1107 CG LEU A 68 6.323 2.397 -1.013 1.00 0.00 C ATOM 1108 CD1 LEU A 68 6.789 1.130 -0.295 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.627 3.317 -0.005 1.00 0.00 C ATOM 0 H LEU A 68 6.349 2.763 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 68 6.350 4.911 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.103 2.440 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.192 3.479 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 68 5.629 2.127 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.928 0.619 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.283 0.469 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.488 1.397 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.772 2.799 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.328 3.588 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.285 4.219 -0.512 1.00 0.00 H new ATOM 1121 N THR A 69 8.896 4.761 -3.926 1.00 0.00 N ATOM 1122 CA THR A 69 10.046 5.572 -4.411 1.00 0.00 C ATOM 1123 C THR A 69 9.525 6.835 -5.102 1.00 0.00 C ATOM 1124 O THR A 69 10.084 7.904 -4.962 1.00 0.00 O ATOM 1125 CB THR A 69 10.869 4.749 -5.407 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.077 4.470 -6.554 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.306 3.437 -4.752 1.00 0.00 C ATOM 0 H THR A 69 8.720 3.901 -4.445 1.00 0.00 H new ATOM 0 HA THR A 69 10.674 5.852 -3.565 1.00 0.00 H new ATOM 0 HB THR A 69 11.753 5.313 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.643 4.087 -7.257 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.891 2.853 -5.462 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.913 3.654 -3.873 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.425 2.868 -4.453 1.00 0.00 H new ATOM 1135 N ASN A 70 8.455 6.722 -5.846 1.00 0.00 N ATOM 1136 CA ASN A 70 7.901 7.918 -6.544 1.00 0.00 C ATOM 1137 C ASN A 70 6.380 7.782 -6.683 1.00 0.00 C ATOM 1138 O ASN A 70 5.863 6.713 -6.937 1.00 0.00 O ATOM 1139 CB ASN A 70 8.526 8.032 -7.937 1.00 0.00 C ATOM 1140 CG ASN A 70 10.041 8.198 -7.809 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.515 8.941 -6.972 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.829 7.535 -8.611 1.00 0.00 N ATOM 0 H ASN A 70 7.942 5.854 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 70 8.133 8.810 -5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.296 7.142 -8.523 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.101 8.883 -8.469 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.841 7.641 -8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.433 6.911 -9.314 1.00 0.00 H new ATOM 1149 N HIS A 71 5.664 8.863 -6.528 1.00 0.00 N ATOM 1150 CA HIS A 71 4.180 8.810 -6.659 1.00 0.00 C ATOM 1151 C HIS A 71 3.603 10.218 -6.500 1.00 0.00 C ATOM 1152 O HIS A 71 3.406 10.698 -5.401 1.00 0.00 O ATOM 1153 CB HIS A 71 3.603 7.895 -5.580 1.00 0.00 C ATOM 1154 CG HIS A 71 4.148 8.296 -4.237 1.00 0.00 C ATOM 1155 ND1 HIS A 71 5.510 8.329 -3.971 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.529 8.681 -3.074 1.00 0.00 C ATOM 1157 CE1 HIS A 71 5.664 8.722 -2.693 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.488 8.948 -2.104 1.00 0.00 N ATOM 0 H HIS A 71 6.045 9.785 -6.315 1.00 0.00 H new ATOM 0 HA HIS A 71 3.917 8.419 -7.642 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.515 7.960 -5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.859 6.857 -5.793 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.461 8.764 -2.934 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.620 8.840 -2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.327 9.253 -1.144 1.00 0.00 H new ATOM 1167 N ALA A 72 3.330 10.886 -7.588 1.00 0.00 N ATOM 1168 CA ALA A 72 2.766 12.262 -7.497 1.00 0.00 C ATOM 1169 C ALA A 72 1.822 12.506 -8.678 1.00 0.00 C ATOM 1170 O ALA A 72 0.750 11.946 -8.747 1.00 0.00 O ATOM 1171 CB ALA A 72 3.903 13.285 -7.530 1.00 0.00 C ATOM 0 H ALA A 72 3.473 10.538 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 72 2.213 12.366 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.489 14.291 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.573 13.112 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.458 13.182 -8.462 1.00 0.00 H new ATOM 1177 N LYS A 73 2.210 13.337 -9.608 1.00 0.00 N ATOM 1178 CA LYS A 73 1.326 13.611 -10.780 1.00 0.00 C ATOM 1179 C LYS A 73 0.994 12.295 -11.486 1.00 0.00 C ATOM 1180 O LYS A 73 -0.082 12.119 -12.022 1.00 0.00 O ATOM 1181 CB LYS A 73 2.046 14.547 -11.754 1.00 0.00 C ATOM 1182 CG LYS A 73 2.282 15.900 -11.080 1.00 0.00 C ATOM 1183 CD LYS A 73 2.896 16.873 -12.088 1.00 0.00 C ATOM 1184 CE LYS A 73 3.245 18.185 -11.385 1.00 0.00 C ATOM 1185 NZ LYS A 73 4.726 18.315 -11.279 1.00 0.00 N ATOM 0 H LYS A 73 3.099 13.837 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 73 0.404 14.082 -10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.997 14.110 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.450 14.678 -12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.341 16.298 -10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.945 15.781 -10.223 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.791 16.437 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.196 17.060 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.834 19.028 -11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.795 18.209 -10.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.963 19.208 -10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.106 17.517 -10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.144 18.311 -12.231 1.00 0.00 H new ATOM 1199 N TYR A 74 1.910 11.369 -11.485 1.00 0.00 N ATOM 1200 CA TYR A 74 1.660 10.057 -12.147 1.00 0.00 C ATOM 1201 C TYR A 74 0.370 9.441 -11.590 1.00 0.00 C ATOM 1202 O TYR A 74 -0.445 8.914 -12.322 1.00 0.00 O ATOM 1203 CB TYR A 74 2.859 9.147 -11.865 1.00 0.00 C ATOM 1204 CG TYR A 74 2.524 7.710 -12.173 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.923 7.359 -13.387 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.825 6.724 -11.232 1.00 0.00 C ATOM 1207 CE1 TYR A 74 1.623 6.017 -13.655 1.00 0.00 C ATOM 1208 CE2 TYR A 74 2.527 5.386 -11.493 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.924 5.029 -12.706 1.00 0.00 C ATOM 1210 OH TYR A 74 1.629 3.707 -12.969 1.00 0.00 O ATOM 0 H TYR A 74 2.828 11.464 -11.051 1.00 0.00 H new ATOM 0 HA TYR A 74 1.541 10.182 -13.223 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.711 9.464 -12.467 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.154 9.240 -10.820 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.691 8.121 -14.116 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.291 6.998 -10.297 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.160 5.743 -14.592 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.761 4.627 -10.761 1.00 0.00 H new ATOM 0 HH TYR A 74 1.903 3.153 -12.208 1.00 0.00 H new ATOM 1220 N ILE A 75 0.176 9.518 -10.303 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.065 8.955 -9.678 1.00 0.00 C ATOM 1222 C ILE A 75 -1.844 10.114 -9.037 1.00 0.00 C ATOM 1223 O ILE A 75 -1.381 11.234 -9.033 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.660 7.932 -8.606 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.863 7.839 -8.571 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.235 6.540 -8.926 1.00 0.00 C ATOM 1227 CD1 ILE A 75 1.291 6.737 -7.607 1.00 0.00 C ATOM 0 H ILE A 75 0.827 9.950 -9.647 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.688 8.460 -10.423 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.053 8.258 -7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.247 7.631 -9.570 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.288 8.793 -8.259 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.933 5.835 -8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.323 6.595 -8.962 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.856 6.203 -9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.379 6.675 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.921 6.964 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.879 5.784 -7.938 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.017 9.872 -8.504 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.822 10.952 -7.871 1.00 0.00 C ATOM 1241 C PRO A 76 -2.986 11.796 -6.906 1.00 0.00 C ATOM 1242 O PRO A 76 -2.091 11.302 -6.249 1.00 0.00 O ATOM 1243 CB PRO A 76 -4.916 10.204 -7.112 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.058 8.888 -7.801 1.00 0.00 C ATOM 1245 CD PRO A 76 -3.707 8.570 -8.443 1.00 0.00 C ATOM 0 HA PRO A 76 -4.212 11.651 -8.610 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.645 10.070 -6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.854 10.759 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.340 8.110 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.843 8.931 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.144 7.849 -7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.830 8.138 -9.436 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.271 13.066 -6.813 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.495 13.941 -5.888 1.00 0.00 C ATOM 1255 C GLY A 77 -2.703 13.468 -4.449 1.00 0.00 C ATOM 1256 O GLY A 77 -2.273 14.102 -3.506 1.00 0.00 O ATOM 0 H GLY A 77 -4.008 13.536 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.436 13.910 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.818 14.977 -5.993 1.00 0.00 H new ATOM 1260 N THR A 78 -3.364 12.357 -4.277 1.00 0.00 N ATOM 1261 CA THR A 78 -3.613 11.832 -2.905 1.00 0.00 C ATOM 1262 C THR A 78 -2.363 12.005 -2.042 1.00 0.00 C ATOM 1263 O THR A 78 -1.278 11.602 -2.411 1.00 0.00 O ATOM 1264 CB THR A 78 -3.951 10.343 -2.995 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.430 9.892 -1.736 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.693 9.557 -3.378 1.00 0.00 C ATOM 0 H THR A 78 -3.745 11.787 -5.032 1.00 0.00 H new ATOM 0 HA THR A 78 -4.440 12.382 -2.456 1.00 0.00 H new ATOM 0 HB THR A 78 -4.719 10.187 -3.752 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.649 8.938 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.933 8.496 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.326 9.905 -4.343 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.924 9.710 -2.621 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.511 12.583 -0.883 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.338 12.759 0.015 1.00 0.00 C ATOM 1276 C LYS A 79 -1.382 11.672 1.088 1.00 0.00 C ATOM 1277 O LYS A 79 -2.357 11.535 1.799 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.397 14.138 0.677 1.00 0.00 C ATOM 1279 CG LYS A 79 -1.274 15.225 -0.394 1.00 0.00 C ATOM 1280 CD LYS A 79 -1.214 16.598 0.279 1.00 0.00 C ATOM 1281 CE LYS A 79 -1.211 17.691 -0.792 1.00 0.00 C ATOM 1282 NZ LYS A 79 0.064 18.459 -0.714 1.00 0.00 N ATOM 0 H LYS A 79 -3.394 12.941 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.414 12.682 -0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.335 14.252 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.593 14.238 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.378 15.062 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.124 15.178 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.069 16.727 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.318 16.674 0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.320 17.246 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.060 18.359 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.067 19.202 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.150 18.895 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.866 17.817 -0.872 1.00 0.00 H new ATOM 1296 N MET A 80 -0.343 10.890 1.205 1.00 0.00 N ATOM 1297 CA MET A 80 -0.342 9.806 2.227 1.00 0.00 C ATOM 1298 C MET A 80 0.545 10.215 3.406 1.00 0.00 C ATOM 1299 O MET A 80 1.695 10.569 3.239 1.00 0.00 O ATOM 1300 CB MET A 80 0.190 8.516 1.590 1.00 0.00 C ATOM 1301 CG MET A 80 -0.136 7.308 2.476 1.00 0.00 C ATOM 1302 SD MET A 80 -0.500 5.880 1.426 1.00 0.00 S ATOM 1303 CE MET A 80 1.178 5.218 1.368 1.00 0.00 C ATOM 0 H MET A 80 0.503 10.955 0.638 1.00 0.00 H new ATOM 0 HA MET A 80 -1.356 9.638 2.590 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.253 8.381 0.603 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.268 8.591 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.705 7.086 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.990 7.531 3.116 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.202 4.344 0.717 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.856 5.978 0.980 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.491 4.931 2.372 1.00 0.00 H new ATOM 1313 N ALA A 81 0.011 10.178 4.596 1.00 0.00 N ATOM 1314 CA ALA A 81 0.808 10.573 5.792 1.00 0.00 C ATOM 1315 C ALA A 81 1.958 9.586 6.015 1.00 0.00 C ATOM 1316 O ALA A 81 3.003 9.946 6.522 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.099 10.579 7.023 1.00 0.00 C ATOM 0 H ALA A 81 -0.948 9.890 4.792 1.00 0.00 H new ATOM 0 HA ALA A 81 1.222 11.568 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.480 10.867 7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.910 11.291 6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.514 9.583 7.174 1.00 0.00 H new ATOM 1323 N PHE A 82 1.778 8.344 5.658 1.00 0.00 N ATOM 1324 CA PHE A 82 2.867 7.347 5.874 1.00 0.00 C ATOM 1325 C PHE A 82 4.146 7.824 5.184 1.00 0.00 C ATOM 1326 O PHE A 82 5.223 7.758 5.743 1.00 0.00 O ATOM 1327 CB PHE A 82 2.453 5.995 5.288 1.00 0.00 C ATOM 1328 CG PHE A 82 3.457 4.944 5.701 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.285 4.251 6.904 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.560 4.664 4.883 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.212 3.277 7.290 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.488 3.690 5.271 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.314 2.997 6.474 1.00 0.00 C ATOM 0 H PHE A 82 0.929 7.977 5.228 1.00 0.00 H new ATOM 0 HA PHE A 82 3.046 7.241 6.944 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.458 5.722 5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.401 6.057 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.436 4.468 7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.694 5.199 3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.077 2.741 8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.338 3.474 4.641 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.030 2.246 6.773 1.00 0.00 H new ATOM 1343 N GLY A 83 4.042 8.298 3.973 1.00 0.00 N ATOM 1344 CA GLY A 83 5.260 8.773 3.256 1.00 0.00 C ATOM 1345 C GLY A 83 6.241 7.609 3.108 1.00 0.00 C ATOM 1346 O GLY A 83 5.915 6.578 2.553 1.00 0.00 O ATOM 0 H GLY A 83 3.170 8.377 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.990 9.164 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.726 9.590 3.807 1.00 0.00 H new ATOM 1350 N GLY A 84 7.438 7.763 3.605 1.00 0.00 N ATOM 1351 CA GLY A 84 8.440 6.664 3.500 1.00 0.00 C ATOM 1352 C GLY A 84 9.131 6.482 4.852 1.00 0.00 C ATOM 1353 O GLY A 84 9.119 7.363 5.688 1.00 0.00 O ATOM 0 H GLY A 84 7.766 8.604 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.951 5.737 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.176 6.899 2.731 1.00 0.00 H new ATOM 1357 N LEU A 85 9.728 5.343 5.080 1.00 0.00 N ATOM 1358 CA LEU A 85 10.409 5.110 6.379 1.00 0.00 C ATOM 1359 C LEU A 85 11.910 5.369 6.228 1.00 0.00 C ATOM 1360 O LEU A 85 12.536 4.921 5.288 1.00 0.00 O ATOM 1361 CB LEU A 85 10.192 3.658 6.800 1.00 0.00 C ATOM 1362 CG LEU A 85 8.698 3.340 6.816 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.488 1.927 7.363 1.00 0.00 C ATOM 1364 CD2 LEU A 85 7.971 4.346 7.713 1.00 0.00 C ATOM 0 H LEU A 85 9.772 4.566 4.421 1.00 0.00 H new ATOM 0 HA LEU A 85 9.999 5.784 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.708 2.989 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.619 3.489 7.788 1.00 0.00 H new ATOM 0 HG LEU A 85 8.301 3.404 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.423 1.696 7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.007 1.210 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.885 1.867 8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.905 4.119 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.367 4.282 8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.123 5.354 7.327 1.00 0.00 H new ATOM 1376 N LYS A 86 12.496 6.077 7.154 1.00 0.00 N ATOM 1377 CA LYS A 86 13.960 6.350 7.069 1.00 0.00 C ATOM 1378 C LYS A 86 14.718 5.021 7.084 1.00 0.00 C ATOM 1379 O LYS A 86 15.728 4.861 6.429 1.00 0.00 O ATOM 1380 CB LYS A 86 14.392 7.200 8.265 1.00 0.00 C ATOM 1381 CG LYS A 86 15.861 7.598 8.105 1.00 0.00 C ATOM 1382 CD LYS A 86 16.312 8.391 9.334 1.00 0.00 C ATOM 1383 CE LYS A 86 17.724 8.934 9.103 1.00 0.00 C ATOM 1384 NZ LYS A 86 18.657 7.799 8.848 1.00 0.00 N ATOM 0 H LYS A 86 12.026 6.478 7.965 1.00 0.00 H new ATOM 0 HA LYS A 86 14.181 6.888 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.768 8.091 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.254 6.641 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.479 6.708 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.990 8.198 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.621 9.213 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.297 7.753 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.728 9.619 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.054 9.502 9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.638 8.125 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.467 7.034 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.518 7.446 7.880 1.00 0.00 H new ATOM 1398 N LYS A 87 14.233 4.069 7.832 1.00 0.00 N ATOM 1399 CA LYS A 87 14.914 2.743 7.902 1.00 0.00 C ATOM 1400 C LYS A 87 14.960 2.108 6.510 1.00 0.00 C ATOM 1401 O LYS A 87 15.857 1.352 6.201 1.00 0.00 O ATOM 1402 CB LYS A 87 14.146 1.833 8.863 1.00 0.00 C ATOM 1403 CG LYS A 87 14.220 2.416 10.277 1.00 0.00 C ATOM 1404 CD LYS A 87 13.543 1.462 11.261 1.00 0.00 C ATOM 1405 CE LYS A 87 13.537 2.089 12.657 1.00 0.00 C ATOM 1406 NZ LYS A 87 13.978 1.075 13.658 1.00 0.00 N ATOM 0 H LYS A 87 13.390 4.152 8.401 1.00 0.00 H new ATOM 0 HA LYS A 87 15.934 2.876 8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.107 1.745 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.569 0.829 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.260 2.572 10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.732 3.390 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.522 1.255 10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.071 0.508 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.201 2.953 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.537 2.447 12.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.974 1.500 14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.328 0.263 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.940 0.754 13.426 1.00 0.00 H new ATOM 1420 N GLU A 88 13.994 2.407 5.677 1.00 0.00 N ATOM 1421 CA GLU A 88 13.956 1.831 4.295 1.00 0.00 C ATOM 1422 C GLU A 88 13.851 0.302 4.352 1.00 0.00 C ATOM 1423 O GLU A 88 12.895 -0.275 3.874 1.00 0.00 O ATOM 1424 CB GLU A 88 15.213 2.234 3.512 1.00 0.00 C ATOM 1425 CG GLU A 88 15.229 3.751 3.316 1.00 0.00 C ATOM 1426 CD GLU A 88 16.448 4.144 2.481 1.00 0.00 C ATOM 1427 OE1 GLU A 88 17.286 3.287 2.252 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.524 5.296 2.086 1.00 0.00 O ATOM 0 H GLU A 88 13.220 3.034 5.898 1.00 0.00 H new ATOM 0 HA GLU A 88 13.077 2.227 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.106 1.917 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.228 1.732 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.315 4.074 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.260 4.253 4.283 1.00 0.00 H new ATOM 1435 N LYS A 89 14.820 -0.366 4.913 1.00 0.00 N ATOM 1436 CA LYS A 89 14.751 -1.855 4.968 1.00 0.00 C ATOM 1437 C LYS A 89 13.414 -2.283 5.575 1.00 0.00 C ATOM 1438 O LYS A 89 12.743 -3.162 5.068 1.00 0.00 O ATOM 1439 CB LYS A 89 15.897 -2.387 5.833 1.00 0.00 C ATOM 1440 CG LYS A 89 15.895 -3.916 5.798 1.00 0.00 C ATOM 1441 CD LYS A 89 16.994 -4.450 6.719 1.00 0.00 C ATOM 1442 CE LYS A 89 17.086 -5.971 6.578 1.00 0.00 C ATOM 1443 NZ LYS A 89 18.078 -6.313 5.519 1.00 0.00 N ATOM 0 H LYS A 89 15.651 0.050 5.333 1.00 0.00 H new ATOM 0 HA LYS A 89 14.838 -2.259 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.850 -2.006 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.786 -2.036 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.924 -4.296 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.058 -4.267 4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.950 -3.992 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.778 -4.183 7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.383 -6.418 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.110 -6.383 6.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.141 -7.347 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.776 -5.899 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.010 -5.932 5.780 1.00 0.00 H new ATOM 1457 N ASP A 90 13.011 -1.665 6.647 1.00 0.00 N ATOM 1458 CA ASP A 90 11.712 -2.038 7.263 1.00 0.00 C ATOM 1459 C ASP A 90 10.594 -1.786 6.253 1.00 0.00 C ATOM 1460 O ASP A 90 9.656 -2.548 6.150 1.00 0.00 O ATOM 1461 CB ASP A 90 11.479 -1.200 8.518 1.00 0.00 C ATOM 1462 CG ASP A 90 12.471 -1.624 9.602 1.00 0.00 C ATOM 1463 OD1 ASP A 90 13.191 -2.583 9.376 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.491 -0.989 10.642 1.00 0.00 O ATOM 0 H ASP A 90 13.523 -0.921 7.121 1.00 0.00 H new ATOM 0 HA ASP A 90 11.723 -3.092 7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.603 -0.141 8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.457 -1.332 8.873 1.00 0.00 H new ATOM 1469 N ARG A 91 10.690 -0.724 5.499 1.00 0.00 N ATOM 1470 CA ARG A 91 9.634 -0.430 4.490 1.00 0.00 C ATOM 1471 C ARG A 91 9.484 -1.633 3.559 1.00 0.00 C ATOM 1472 O ARG A 91 8.392 -1.998 3.171 1.00 0.00 O ATOM 1473 CB ARG A 91 10.033 0.802 3.674 1.00 0.00 C ATOM 1474 CG ARG A 91 8.890 1.182 2.730 1.00 0.00 C ATOM 1475 CD ARG A 91 9.278 2.434 1.941 1.00 0.00 C ATOM 1476 NE ARG A 91 10.372 2.102 0.986 1.00 0.00 N ATOM 1477 CZ ARG A 91 10.782 2.993 0.127 1.00 0.00 C ATOM 1478 NH1 ARG A 91 10.233 4.178 0.102 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.741 2.701 -0.710 1.00 0.00 N ATOM 0 H ARG A 91 11.453 -0.049 5.539 1.00 0.00 H new ATOM 0 HA ARG A 91 8.688 -0.235 4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.260 1.634 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.938 0.595 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.679 0.359 2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.979 1.365 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.413 2.818 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.602 3.220 2.623 1.00 0.00 H new ATOM 0 HE ARG A 91 10.801 1.177 1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.483 4.407 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.554 4.875 -0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.170 1.776 -0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.061 3.398 -1.382 1.00 0.00 H new ATOM 1493 N ASN A 92 10.573 -2.253 3.203 1.00 0.00 N ATOM 1494 CA ASN A 92 10.495 -3.434 2.304 1.00 0.00 C ATOM 1495 C ASN A 92 9.603 -4.495 2.947 1.00 0.00 C ATOM 1496 O ASN A 92 8.820 -5.150 2.285 1.00 0.00 O ATOM 1497 CB ASN A 92 11.900 -4.001 2.099 1.00 0.00 C ATOM 1498 CG ASN A 92 12.757 -2.984 1.344 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.239 -2.074 0.727 1.00 0.00 O ATOM 1500 ND2 ASN A 92 14.056 -3.099 1.367 1.00 0.00 N ATOM 0 H ASN A 92 11.514 -1.992 3.497 1.00 0.00 H new ATOM 0 HA ASN A 92 10.076 -3.142 1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.355 -4.231 3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.848 -4.935 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.637 -2.425 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.491 -3.862 1.885 1.00 0.00 H new ATOM 1507 N ASP A 93 9.711 -4.664 4.234 1.00 0.00 N ATOM 1508 CA ASP A 93 8.870 -5.676 4.926 1.00 0.00 C ATOM 1509 C ASP A 93 7.391 -5.325 4.748 1.00 0.00 C ATOM 1510 O ASP A 93 6.550 -6.190 4.608 1.00 0.00 O ATOM 1511 CB ASP A 93 9.220 -5.690 6.414 1.00 0.00 C ATOM 1512 CG ASP A 93 10.646 -6.210 6.600 1.00 0.00 C ATOM 1513 OD1 ASP A 93 11.190 -6.742 5.646 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.170 -6.070 7.693 1.00 0.00 O ATOM 0 H ASP A 93 10.347 -4.143 4.837 1.00 0.00 H new ATOM 0 HA ASP A 93 9.058 -6.661 4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.131 -4.686 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.518 -6.322 6.957 1.00 0.00 H new ATOM 1519 N LEU A 94 7.065 -4.061 4.760 1.00 0.00 N ATOM 1520 CA LEU A 94 5.641 -3.656 4.598 1.00 0.00 C ATOM 1521 C LEU A 94 5.114 -4.111 3.235 1.00 0.00 C ATOM 1522 O LEU A 94 3.987 -4.547 3.115 1.00 0.00 O ATOM 1523 CB LEU A 94 5.523 -2.133 4.703 1.00 0.00 C ATOM 1524 CG LEU A 94 5.401 -1.720 6.173 1.00 0.00 C ATOM 1525 CD1 LEU A 94 4.023 -2.120 6.711 1.00 0.00 C ATOM 1526 CD2 LEU A 94 6.487 -2.414 6.995 1.00 0.00 C ATOM 0 H LEU A 94 7.724 -3.291 4.875 1.00 0.00 H new ATOM 0 HA LEU A 94 5.051 -4.125 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.397 -1.660 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.652 -1.788 4.146 1.00 0.00 H new ATOM 0 HG LEU A 94 5.521 -0.639 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.941 -1.824 7.757 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.247 -1.621 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.900 -3.200 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.397 -2.118 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.371 -3.495 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.468 -2.125 6.619 1.00 0.00 H new ATOM 1538 N ILE A 95 5.909 -4.015 2.204 1.00 0.00 N ATOM 1539 CA ILE A 95 5.432 -4.442 0.866 1.00 0.00 C ATOM 1540 C ILE A 95 5.022 -5.912 0.923 1.00 0.00 C ATOM 1541 O ILE A 95 3.989 -6.298 0.412 1.00 0.00 O ATOM 1542 CB ILE A 95 6.550 -4.248 -0.151 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.937 -2.767 -0.204 1.00 0.00 C ATOM 1544 CG2 ILE A 95 6.064 -4.695 -1.525 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.141 -2.582 -1.129 1.00 0.00 C ATOM 0 H ILE A 95 6.865 -3.660 2.234 1.00 0.00 H new ATOM 0 HA ILE A 95 4.571 -3.843 0.568 1.00 0.00 H new ATOM 0 HB ILE A 95 7.417 -4.840 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.096 -2.174 -0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.176 -2.408 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.861 -4.558 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.784 -5.748 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.199 -4.100 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.414 -1.527 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.983 -3.162 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.886 -2.925 -2.132 1.00 0.00 H new ATOM 1557 N THR A 96 5.814 -6.735 1.551 1.00 0.00 N ATOM 1558 CA THR A 96 5.454 -8.178 1.649 1.00 0.00 C ATOM 1559 C THR A 96 4.112 -8.312 2.370 1.00 0.00 C ATOM 1560 O THR A 96 3.257 -9.082 1.981 1.00 0.00 O ATOM 1561 CB THR A 96 6.526 -8.922 2.448 1.00 0.00 C ATOM 1562 OG1 THR A 96 6.668 -8.316 3.724 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.857 -8.870 1.702 1.00 0.00 C ATOM 0 H THR A 96 6.692 -6.473 1.999 1.00 0.00 H new ATOM 0 HA THR A 96 5.384 -8.603 0.648 1.00 0.00 H new ATOM 0 HB THR A 96 6.228 -9.963 2.571 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.470 -7.359 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.617 -9.401 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.745 -9.340 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 96 8.161 -7.831 1.572 1.00 0.00 H new ATOM 1571 N TYR A 97 3.924 -7.561 3.419 1.00 0.00 N ATOM 1572 CA TYR A 97 2.641 -7.634 4.171 1.00 0.00 C ATOM 1573 C TYR A 97 1.481 -7.277 3.239 1.00 0.00 C ATOM 1574 O TYR A 97 0.426 -7.877 3.291 1.00 0.00 O ATOM 1575 CB TYR A 97 2.677 -6.656 5.347 1.00 0.00 C ATOM 1576 CG TYR A 97 1.393 -6.770 6.134 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.244 -7.786 7.085 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.352 -5.861 5.910 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.053 -7.892 7.813 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.839 -5.968 6.638 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.988 -6.985 7.591 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.162 -7.090 8.309 1.00 0.00 O ATOM 0 H TYR A 97 4.606 -6.898 3.789 1.00 0.00 H new ATOM 0 HA TYR A 97 2.501 -8.646 4.550 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.531 -6.874 5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.804 -5.637 4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.047 -8.487 7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.468 -5.077 5.176 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.062 -8.676 8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.643 -5.267 6.465 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.779 -6.381 8.032 1.00 0.00 H new ATOM 1592 N LEU A 98 1.666 -6.310 2.382 1.00 0.00 N ATOM 1593 CA LEU A 98 0.567 -5.929 1.451 1.00 0.00 C ATOM 1594 C LEU A 98 0.134 -7.157 0.656 1.00 0.00 C ATOM 1595 O LEU A 98 -1.038 -7.373 0.418 1.00 0.00 O ATOM 1596 CB LEU A 98 1.054 -4.842 0.492 1.00 0.00 C ATOM 1597 CG LEU A 98 0.594 -3.477 1.003 1.00 0.00 C ATOM 1598 CD1 LEU A 98 -0.926 -3.375 0.885 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.995 -3.318 2.469 1.00 0.00 C ATOM 0 H LEU A 98 2.526 -5.770 2.287 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.278 -5.546 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.141 -4.868 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.660 -5.020 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 98 1.062 -2.693 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.255 -2.402 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.218 -3.489 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.391 -4.161 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.667 -2.344 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.526 -4.104 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.079 -3.393 2.560 1.00 0.00 H new ATOM 1611 N LYS A 99 1.066 -7.974 0.256 1.00 0.00 N ATOM 1612 CA LYS A 99 0.694 -9.195 -0.507 1.00 0.00 C ATOM 1613 C LYS A 99 -0.275 -10.017 0.340 1.00 0.00 C ATOM 1614 O LYS A 99 -1.252 -10.549 -0.147 1.00 0.00 O ATOM 1615 CB LYS A 99 1.948 -10.026 -0.787 1.00 0.00 C ATOM 1616 CG LYS A 99 1.576 -11.243 -1.636 1.00 0.00 C ATOM 1617 CD LYS A 99 2.822 -12.098 -1.883 1.00 0.00 C ATOM 1618 CE LYS A 99 3.295 -12.718 -0.564 1.00 0.00 C ATOM 1619 NZ LYS A 99 4.335 -11.845 0.048 1.00 0.00 N ATOM 0 H LYS A 99 2.064 -7.850 0.423 1.00 0.00 H new ATOM 0 HA LYS A 99 0.229 -8.917 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.690 -9.420 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.400 -10.348 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.813 -11.833 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.150 -10.920 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.598 -12.883 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.615 -11.486 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.453 -12.833 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.700 -13.714 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.239 -12.358 0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.449 -10.986 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.044 -11.581 1.011 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.007 -10.119 1.613 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.904 -10.898 2.510 1.00 0.00 C ATOM 1635 C LYS A 100 -2.300 -10.270 2.523 1.00 0.00 C ATOM 1636 O LYS A 100 -3.301 -10.959 2.523 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.316 -10.900 3.928 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.268 -11.603 4.905 1.00 0.00 C ATOM 1639 CD LYS A 100 -1.391 -13.093 4.542 1.00 0.00 C ATOM 1640 CE LYS A 100 -2.756 -13.389 3.900 1.00 0.00 C ATOM 1641 NZ LYS A 100 -3.073 -14.836 4.065 1.00 0.00 N ATOM 0 H LYS A 100 0.799 -9.694 2.072 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.985 -11.923 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.650 -11.405 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.140 -9.876 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.898 -11.498 5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.250 -11.130 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.593 -13.371 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.266 -13.701 5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.530 -12.780 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.738 -13.127 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.996 -15.041 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.338 -15.407 3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.106 -15.071 5.078 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.377 -8.969 2.547 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.711 -8.306 2.574 1.00 0.00 C ATOM 1657 C ALA A 101 -4.495 -8.663 1.309 1.00 0.00 C ATOM 1658 O ALA A 101 -5.700 -8.805 1.338 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.532 -6.787 2.661 1.00 0.00 C ATOM 0 H ALA A 101 -1.576 -8.337 2.549 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.265 -8.653 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.510 -6.306 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.986 -6.536 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.972 -6.436 1.794 1.00 0.00 H new ATOM 1665 N THR A 102 -3.825 -8.813 0.199 1.00 0.00 N ATOM 1666 CA THR A 102 -4.548 -9.164 -1.057 1.00 0.00 C ATOM 1667 C THR A 102 -5.048 -10.609 -0.970 1.00 0.00 C ATOM 1668 O THR A 102 -6.072 -10.955 -1.524 1.00 0.00 O ATOM 1669 CB THR A 102 -3.607 -8.999 -2.259 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.316 -8.382 -3.323 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.083 -10.362 -2.724 1.00 0.00 C ATOM 0 H THR A 102 -2.815 -8.709 0.107 1.00 0.00 H new ATOM 0 HA THR A 102 -5.402 -8.499 -1.186 1.00 0.00 H new ATOM 0 HB THR A 102 -2.760 -8.381 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.457 -9.032 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.418 -10.225 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.536 -10.838 -1.910 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.922 -10.994 -3.016 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.331 -11.453 -0.279 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.766 -12.874 -0.156 1.00 0.00 C ATOM 1681 C GLU A 103 -5.099 -13.426 -1.542 1.00 0.00 C ATOM 1682 O GLU A 103 -6.248 -13.623 -1.883 1.00 0.00 O ATOM 1683 CB GLU A 103 -6.006 -12.953 0.736 1.00 0.00 C ATOM 1684 CG GLU A 103 -6.363 -14.420 0.985 1.00 0.00 C ATOM 1685 CD GLU A 103 -7.658 -14.501 1.795 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -8.213 -13.456 2.093 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -8.072 -15.606 2.103 1.00 0.00 O ATOM 0 H GLU A 103 -3.464 -11.221 0.205 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.963 -13.463 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.818 -12.448 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.842 -12.440 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.482 -14.942 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.554 -14.916 1.522 1.00 0.00 H new