USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 706 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 SER OG : rot 66:sc= 1 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -3.47! C(o=-6!,f=-2.5!) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.67 USER MOD Set 2.2: A 31 THR OG1 : rot -106:sc= 0.251 USER MOD Set 3.1: A 30 ASN : amide:sc= 0.15 X(o=0.53,f=0.2) USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.379 USER MOD Set 4.1: A 7 THR OG1 : rot -65:sc= 1.1 USER MOD Set 4.2: A 93 ASN : amide:sc= -2.2 K(o=-1.1,f=-7.7!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.4) USER MOD Single : A 9 TYR OH : rot -13:sc= -0.341 USER MOD Single : A 10 ASN : amide:sc= -0.623 K(o=-0.62,f=-2.1!) USER MOD Single : A 11 SER OG : rot -170:sc= -1.4 USER MOD Single : A 14 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.31) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 20 SER OG : rot 178:sc= -0.905 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.433 X(o=0.43,f=-0.047) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 THR OG1 : rot 130:sc= -1.32! USER MOD Single : A 62 GLN : amide:sc= -0.385 K(o=-0.38,f=-1.3) USER MOD Single : A 66 SER OG : rot 53:sc= 0.975 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -82:sc= 1.58 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 34:sc= 0.911 USER MOD Single : A 83 THR OG1 : rot -42:sc= -0.591 USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= -0.275 (180deg=-1.2!) USER MOD Single : A 90 HIS :FLIP no HE2:sc= 0.0898 F(o=-0.44,f=0.09) USER MOD Single : A 97 THR OG1 : rot -93:sc= 0.948 USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.214) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.817 -2.000 -11.562 1.00 0.00 N ATOM 23 CA GLY A 2 -3.680 -1.100 -10.431 1.00 0.00 C ATOM 24 C GLY A 2 -4.893 -0.216 -10.231 1.00 0.00 C ATOM 25 O GLY A 2 -6.035 -0.665 -10.316 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.509 -1.684 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.800 -0.473 -10.576 1.00 0.00 H new ATOM 29 N LYS A 3 -4.618 1.060 -10.003 1.00 0.00 N ATOM 30 CA LYS A 3 -5.661 2.068 -9.817 1.00 0.00 C ATOM 31 C LYS A 3 -6.890 1.507 -9.079 1.00 0.00 C ATOM 32 O LYS A 3 -7.914 1.212 -9.694 1.00 0.00 O ATOM 33 CB LYS A 3 -6.048 2.639 -11.210 1.00 0.00 C ATOM 34 CG LYS A 3 -5.357 3.997 -11.468 1.00 0.00 C ATOM 35 CD LYS A 3 -3.817 3.840 -11.508 1.00 0.00 C ATOM 36 CE LYS A 3 -3.349 3.432 -12.909 1.00 0.00 C ATOM 37 NZ LYS A 3 -1.858 3.379 -12.931 1.00 0.00 N ATOM 0 H LYS A 3 -3.669 1.429 -9.941 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.272 2.866 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.765 1.930 -11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.130 2.761 -11.268 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.708 4.414 -12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.633 4.704 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.343 4.779 -11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.504 3.090 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.764 2.460 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.711 4.146 -13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.534 3.102 -13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.474 4.316 -12.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.525 2.682 -12.235 1.00 0.00 H new ATOM 51 N PHE A 4 -6.790 1.406 -7.747 1.00 0.00 N ATOM 52 CA PHE A 4 -7.912 0.931 -6.927 1.00 0.00 C ATOM 53 C PHE A 4 -8.656 2.139 -6.369 1.00 0.00 C ATOM 54 O PHE A 4 -9.879 2.125 -6.234 1.00 0.00 O ATOM 55 CB PHE A 4 -7.427 0.034 -5.772 1.00 0.00 C ATOM 56 CG PHE A 4 -6.639 0.843 -4.767 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.337 1.268 -5.087 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.200 1.171 -3.511 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.593 2.018 -4.163 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.452 1.923 -2.579 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.146 2.347 -2.905 1.00 0.00 C ATOM 0 H PHE A 4 -5.951 1.645 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.575 0.332 -7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.282 -0.432 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.807 -0.772 -6.165 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.909 1.017 -6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.200 0.846 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.595 2.345 -4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.878 2.173 -1.619 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.570 2.922 -2.194 1.00 0.00 H new ATOM 71 N SER A 5 -7.896 3.192 -6.068 1.00 0.00 N ATOM 72 CA SER A 5 -8.473 4.425 -5.545 1.00 0.00 C ATOM 73 C SER A 5 -9.579 4.921 -6.473 1.00 0.00 C ATOM 74 O SER A 5 -10.535 5.561 -6.034 1.00 0.00 O ATOM 75 CB SER A 5 -7.381 5.492 -5.407 1.00 0.00 C ATOM 76 OG SER A 5 -7.824 6.497 -4.505 1.00 0.00 O ATOM 0 H SER A 5 -6.882 3.214 -6.178 1.00 0.00 H new ATOM 0 HA SER A 5 -8.903 4.228 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.458 5.041 -5.043 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.159 5.931 -6.380 1.00 0.00 H new ATOM 0 HG SER A 5 -7.129 7.182 -4.411 1.00 0.00 H new ATOM 82 N GLN A 6 -9.436 4.615 -7.760 1.00 0.00 N ATOM 83 CA GLN A 6 -10.421 5.029 -8.753 1.00 0.00 C ATOM 84 C GLN A 6 -11.796 4.464 -8.421 1.00 0.00 C ATOM 85 O GLN A 6 -12.819 5.075 -8.728 1.00 0.00 O ATOM 86 CB GLN A 6 -9.996 4.547 -10.142 1.00 0.00 C ATOM 87 CG GLN A 6 -8.683 5.223 -10.543 1.00 0.00 C ATOM 88 CD GLN A 6 -8.395 4.946 -12.020 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.831 3.948 -12.559 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.675 5.795 -12.702 1.00 0.00 N ATOM 0 H GLN A 6 -8.651 4.084 -8.138 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.477 6.117 -8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.873 3.464 -10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.773 4.778 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.747 6.297 -10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.866 4.849 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.309 6.633 -12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.478 5.621 -13.688 1.00 0.00 H new ATOM 99 N THR A 7 -11.814 3.289 -7.791 1.00 0.00 N ATOM 100 CA THR A 7 -13.070 2.631 -7.412 1.00 0.00 C ATOM 101 C THR A 7 -13.005 2.179 -5.958 1.00 0.00 C ATOM 102 O THR A 7 -13.581 1.158 -5.583 1.00 0.00 O ATOM 103 CB THR A 7 -13.340 1.405 -8.307 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.413 0.647 -7.765 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.085 0.537 -8.377 1.00 0.00 C ATOM 0 H THR A 7 -10.974 2.771 -7.531 1.00 0.00 H new ATOM 0 HA THR A 7 -13.879 3.350 -7.541 1.00 0.00 H new ATOM 0 HB THR A 7 -13.605 1.740 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.147 0.277 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.277 -0.329 -9.010 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.264 1.118 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.818 0.202 -7.375 1.00 0.00 H new ATOM 113 N CYS A 8 -12.312 2.970 -5.135 1.00 0.00 N ATOM 114 CA CYS A 8 -12.182 2.675 -3.706 1.00 0.00 C ATOM 115 C CYS A 8 -12.225 3.962 -2.896 1.00 0.00 C ATOM 116 O CYS A 8 -11.741 5.005 -3.336 1.00 0.00 O ATOM 117 CB CYS A 8 -10.883 1.913 -3.422 1.00 0.00 C ATOM 118 SG CYS A 8 -11.006 0.238 -4.089 1.00 0.00 S ATOM 0 H CYS A 8 -11.832 3.819 -5.434 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.020 2.044 -3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.038 2.434 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.699 1.875 -2.348 1.00 0.00 H new ATOM 123 N TYR A 9 -12.829 3.880 -1.710 1.00 0.00 N ATOM 124 CA TYR A 9 -12.964 5.038 -0.827 1.00 0.00 C ATOM 125 C TYR A 9 -12.800 4.623 0.632 1.00 0.00 C ATOM 126 O TYR A 9 -12.868 3.439 0.960 1.00 0.00 O ATOM 127 CB TYR A 9 -14.340 5.679 -1.031 1.00 0.00 C ATOM 128 CG TYR A 9 -15.428 4.688 -0.670 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.856 3.729 -1.615 1.00 0.00 C ATOM 130 CD2 TYR A 9 -16.016 4.722 0.612 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.872 2.807 -1.276 1.00 0.00 C ATOM 132 CE2 TYR A 9 -17.029 3.800 0.952 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.458 2.844 0.008 1.00 0.00 C ATOM 134 OH TYR A 9 -18.497 1.990 0.319 1.00 0.00 O ATOM 0 H TYR A 9 -13.234 3.021 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.184 5.759 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.430 6.572 -0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.453 5.996 -2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.407 3.700 -2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.690 5.455 1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.200 2.075 -1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.476 3.827 1.935 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.838 1.578 -0.502 1.00 0.00 H new ATOM 144 N ASN A 10 -12.563 5.610 1.496 1.00 0.00 N ATOM 145 CA ASN A 10 -12.367 5.354 2.922 1.00 0.00 C ATOM 146 C ASN A 10 -11.150 4.465 3.137 1.00 0.00 C ATOM 147 O ASN A 10 -11.194 3.506 3.908 1.00 0.00 O ATOM 148 CB ASN A 10 -13.608 4.694 3.533 1.00 0.00 C ATOM 149 CG ASN A 10 -13.446 4.601 5.050 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.700 5.356 5.641 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.124 3.702 5.711 1.00 0.00 N ATOM 0 H ASN A 10 -12.502 6.594 1.233 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.203 6.310 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.498 5.273 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.748 3.699 3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.027 3.633 6.724 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.750 3.068 5.214 1.00 0.00 H new ATOM 158 N SER A 11 -10.060 4.799 2.448 1.00 0.00 N ATOM 159 CA SER A 11 -8.823 4.034 2.565 1.00 0.00 C ATOM 160 C SER A 11 -8.074 4.431 3.829 1.00 0.00 C ATOM 161 O SER A 11 -8.178 5.563 4.299 1.00 0.00 O ATOM 162 CB SER A 11 -7.939 4.267 1.331 1.00 0.00 C ATOM 163 OG SER A 11 -7.945 5.648 1.009 1.00 0.00 O ATOM 0 H SER A 11 -10.010 5.590 1.806 1.00 0.00 H new ATOM 0 HA SER A 11 -9.072 2.974 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.921 3.932 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.309 3.683 0.488 1.00 0.00 H new ATOM 0 HG SER A 11 -7.516 5.783 0.138 1.00 0.00 H new ATOM 169 N ALA A 12 -7.318 3.484 4.373 1.00 0.00 N ATOM 170 CA ALA A 12 -6.547 3.726 5.587 1.00 0.00 C ATOM 171 C ALA A 12 -5.350 2.793 5.633 1.00 0.00 C ATOM 172 O ALA A 12 -5.398 1.677 5.116 1.00 0.00 O ATOM 173 CB ALA A 12 -7.422 3.499 6.808 1.00 0.00 C ATOM 0 H ALA A 12 -7.222 2.542 3.993 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.196 4.758 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.840 3.681 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.271 4.182 6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.783 2.471 6.811 1.00 0.00 H new ATOM 179 N ILE A 13 -4.268 3.258 6.252 1.00 0.00 N ATOM 180 CA ILE A 13 -3.046 2.463 6.367 1.00 0.00 C ATOM 181 C ILE A 13 -2.463 2.636 7.763 1.00 0.00 C ATOM 182 O ILE A 13 -2.421 3.746 8.293 1.00 0.00 O ATOM 183 CB ILE A 13 -2.006 2.894 5.293 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.455 2.354 3.907 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.607 2.328 5.642 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.822 3.154 2.739 1.00 0.00 C ATOM 0 H ILE A 13 -4.211 4.181 6.682 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.288 1.413 6.201 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.946 3.982 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.177 1.304 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.541 2.403 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.111 2.637 4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.293 2.708 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.653 1.239 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.163 2.742 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.121 4.200 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.736 3.083 2.796 1.00 0.00 H new ATOM 198 N GLN A 14 -2.013 1.531 8.360 1.00 0.00 N ATOM 199 CA GLN A 14 -1.441 1.590 9.702 1.00 0.00 C ATOM 200 C GLN A 14 -0.482 0.427 9.943 1.00 0.00 C ATOM 201 O GLN A 14 -0.886 -0.696 10.242 1.00 0.00 O ATOM 202 CB GLN A 14 -2.567 1.590 10.749 1.00 0.00 C ATOM 203 CG GLN A 14 -2.054 2.140 12.088 1.00 0.00 C ATOM 204 CD GLN A 14 -1.680 3.618 11.936 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.538 4.469 11.814 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.419 3.956 11.925 1.00 0.00 N ATOM 0 H GLN A 14 -2.033 0.601 7.943 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.870 2.514 9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.401 2.196 10.395 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.945 0.577 10.886 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.820 2.027 12.855 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.186 1.568 12.417 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.301 3.241 12.027 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.154 4.935 11.814 1.00 0.00 H new ATOM 215 N GLY A 15 0.796 0.737 9.780 1.00 0.00 N ATOM 216 CA GLY A 15 1.868 -0.233 9.949 1.00 0.00 C ATOM 217 C GLY A 15 2.287 -0.835 8.624 1.00 0.00 C ATOM 218 O GLY A 15 3.346 -0.510 8.101 1.00 0.00 O ATOM 0 H GLY A 15 1.119 1.670 9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.726 0.249 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.540 -1.025 10.622 1.00 0.00 H new ATOM 222 N SER A 16 1.450 -1.711 8.073 1.00 0.00 N ATOM 223 CA SER A 16 1.761 -2.345 6.793 1.00 0.00 C ATOM 224 C SER A 16 0.521 -2.989 6.198 1.00 0.00 C ATOM 225 O SER A 16 0.608 -3.904 5.379 1.00 0.00 O ATOM 226 CB SER A 16 2.841 -3.396 6.991 1.00 0.00 C ATOM 227 OG SER A 16 2.335 -4.449 7.800 1.00 0.00 O ATOM 0 H SER A 16 0.562 -1.996 8.486 1.00 0.00 H new ATOM 0 HA SER A 16 2.119 -1.580 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.164 -3.787 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.716 -2.949 7.463 1.00 0.00 H new ATOM 0 HG SER A 16 3.031 -5.128 7.926 1.00 0.00 H new ATOM 233 N VAL A 17 -0.632 -2.494 6.627 1.00 0.00 N ATOM 234 CA VAL A 17 -1.921 -3.002 6.153 1.00 0.00 C ATOM 235 C VAL A 17 -2.726 -1.888 5.507 1.00 0.00 C ATOM 236 O VAL A 17 -2.986 -0.864 6.124 1.00 0.00 O ATOM 237 CB VAL A 17 -2.737 -3.610 7.315 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.078 -2.529 8.354 1.00 0.00 C ATOM 239 CG2 VAL A 17 -4.028 -4.228 6.762 1.00 0.00 C ATOM 0 H VAL A 17 -0.705 -1.737 7.306 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.719 -3.780 5.416 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.142 -4.383 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.653 -2.974 9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.157 -2.104 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.666 -1.743 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.605 -4.658 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.618 -3.456 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.779 -5.010 6.044 1.00 0.00 H new ATOM 249 N LEU A 18 -3.163 -2.121 4.272 1.00 0.00 N ATOM 250 CA LEU A 18 -3.997 -1.159 3.553 1.00 0.00 C ATOM 251 C LEU A 18 -5.423 -1.652 3.695 1.00 0.00 C ATOM 252 O LEU A 18 -5.680 -2.824 3.462 1.00 0.00 O ATOM 253 CB LEU A 18 -3.580 -1.112 2.060 1.00 0.00 C ATOM 254 CG LEU A 18 -3.925 0.246 1.408 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.738 0.136 -0.111 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.381 0.641 1.711 1.00 0.00 C ATOM 0 H LEU A 18 -2.953 -2.970 3.746 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.889 -0.150 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.508 -1.293 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.082 -1.913 1.517 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.263 1.010 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.980 1.091 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.703 -0.124 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.398 -0.637 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.603 1.600 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.054 -0.120 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.519 0.723 2.789 1.00 0.00 H new ATOM 268 N THR A 19 -6.353 -0.779 4.059 1.00 0.00 N ATOM 269 CA THR A 19 -7.752 -1.170 4.210 1.00 0.00 C ATOM 270 C THR A 19 -8.608 -0.088 3.587 1.00 0.00 C ATOM 271 O THR A 19 -8.423 1.092 3.880 1.00 0.00 O ATOM 272 CB THR A 19 -8.129 -1.310 5.700 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.353 -2.343 6.289 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.615 -1.652 5.827 1.00 0.00 C ATOM 0 H THR A 19 -6.166 0.204 4.255 1.00 0.00 H new ATOM 0 HA THR A 19 -7.912 -2.132 3.724 1.00 0.00 H new ATOM 0 HB THR A 19 -7.932 -0.368 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.591 -2.431 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.877 -1.750 6.880 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.211 -0.858 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.817 -2.592 5.314 1.00 0.00 H new ATOM 282 N SER A 20 -9.532 -0.477 2.714 1.00 0.00 N ATOM 283 CA SER A 20 -10.383 0.505 2.053 1.00 0.00 C ATOM 284 C SER A 20 -11.658 -0.131 1.530 1.00 0.00 C ATOM 285 O SER A 20 -11.648 -1.254 1.024 1.00 0.00 O ATOM 286 CB SER A 20 -9.628 1.133 0.877 1.00 0.00 C ATOM 287 OG SER A 20 -9.759 0.299 -0.266 1.00 0.00 O ATOM 0 H SER A 20 -9.709 -1.447 2.452 1.00 0.00 H new ATOM 0 HA SER A 20 -10.647 1.266 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.025 2.126 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.575 1.258 1.131 1.00 0.00 H new ATOM 0 HG SER A 20 -9.305 0.715 -1.028 1.00 0.00 H new ATOM 293 N THR A 21 -12.750 0.616 1.635 1.00 0.00 N ATOM 294 CA THR A 21 -14.039 0.150 1.148 1.00 0.00 C ATOM 295 C THR A 21 -14.101 0.356 -0.355 1.00 0.00 C ATOM 296 O THR A 21 -13.873 1.460 -0.844 1.00 0.00 O ATOM 297 CB THR A 21 -15.190 0.917 1.819 1.00 0.00 C ATOM 298 OG1 THR A 21 -15.005 0.893 3.227 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.522 0.253 1.467 1.00 0.00 C ATOM 0 H THR A 21 -12.767 1.546 2.053 1.00 0.00 H new ATOM 0 HA THR A 21 -14.146 -0.907 1.390 1.00 0.00 H new ATOM 0 HB THR A 21 -15.199 1.948 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.735 1.382 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.337 0.798 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.660 0.265 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.519 -0.778 1.821 1.00 0.00 H new ATOM 307 N CYS A 22 -14.398 -0.717 -1.090 1.00 0.00 N ATOM 308 CA CYS A 22 -14.469 -0.653 -2.551 1.00 0.00 C ATOM 309 C CYS A 22 -15.800 -1.185 -3.056 1.00 0.00 C ATOM 310 O CYS A 22 -16.469 -1.968 -2.383 1.00 0.00 O ATOM 311 CB CYS A 22 -13.323 -1.467 -3.154 1.00 0.00 C ATOM 312 SG CYS A 22 -11.738 -0.839 -2.548 1.00 0.00 S ATOM 0 H CYS A 22 -14.593 -1.639 -0.699 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.381 0.390 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.433 -2.518 -2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.356 -1.408 -4.242 1.00 0.00 H new ATOM 317 N GLU A 23 -16.179 -0.735 -4.248 1.00 0.00 N ATOM 318 CA GLU A 23 -17.437 -1.146 -4.858 1.00 0.00 C ATOM 319 C GLU A 23 -17.307 -2.536 -5.477 1.00 0.00 C ATOM 320 O GLU A 23 -16.496 -2.753 -6.377 1.00 0.00 O ATOM 321 CB GLU A 23 -17.840 -0.133 -5.935 1.00 0.00 C ATOM 322 CG GLU A 23 -17.660 1.289 -5.393 1.00 0.00 C ATOM 323 CD GLU A 23 -18.133 2.303 -6.437 1.00 0.00 C ATOM 324 OE1 GLU A 23 -19.243 2.152 -6.923 1.00 0.00 O ATOM 325 OE2 GLU A 23 -17.377 3.214 -6.733 1.00 0.00 O ATOM 0 H GLU A 23 -15.631 -0.084 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.205 -1.183 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.230 -0.273 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.877 -0.293 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.227 1.411 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.612 1.466 -5.149 1.00 0.00 H new ATOM 332 N ARG A 24 -18.123 -3.468 -4.995 1.00 0.00 N ATOM 333 CA ARG A 24 -18.102 -4.831 -5.517 1.00 0.00 C ATOM 334 C ARG A 24 -18.568 -4.846 -6.961 1.00 0.00 C ATOM 335 O ARG A 24 -19.309 -3.964 -7.396 1.00 0.00 O ATOM 336 CB ARG A 24 -19.005 -5.751 -4.685 1.00 0.00 C ATOM 337 CG ARG A 24 -18.531 -5.786 -3.221 1.00 0.00 C ATOM 338 CD ARG A 24 -19.155 -6.989 -2.474 1.00 0.00 C ATOM 339 NE ARG A 24 -18.152 -8.098 -2.421 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.217 -9.008 -1.482 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.265 -9.073 -0.707 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.232 -9.850 -1.320 1.00 0.00 N ATOM 0 H ARG A 24 -18.801 -3.307 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.077 -5.196 -5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.036 -5.399 -4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.993 -6.758 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.444 -5.854 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.808 -4.858 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.447 -6.696 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.059 -7.322 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.412 -8.145 -3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.034 -8.415 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.315 -9.782 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.412 -9.799 -1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.282 -10.559 -0.589 1.00 0.00 H new ATOM 356 N THR A 25 -18.128 -5.856 -7.704 1.00 0.00 N ATOM 357 CA THR A 25 -18.503 -5.991 -9.108 1.00 0.00 C ATOM 358 C THR A 25 -19.809 -6.768 -9.230 1.00 0.00 C ATOM 359 O THR A 25 -20.556 -6.599 -10.193 1.00 0.00 O ATOM 360 CB THR A 25 -17.408 -6.741 -9.889 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.176 -6.047 -9.753 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.791 -6.817 -11.366 1.00 0.00 C ATOM 0 H THR A 25 -17.512 -6.592 -7.359 1.00 0.00 H new ATOM 0 HA THR A 25 -18.626 -4.991 -9.523 1.00 0.00 H new ATOM 0 HB THR A 25 -17.305 -7.751 -9.492 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.476 -6.523 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.014 -7.348 -11.916 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.737 -7.348 -11.470 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.895 -5.809 -11.767 1.00 0.00 H new ATOM 370 N ASN A 26 -20.078 -7.625 -8.243 1.00 0.00 N ATOM 371 CA ASN A 26 -21.297 -8.441 -8.230 1.00 0.00 C ATOM 372 C ASN A 26 -22.252 -7.967 -7.135 1.00 0.00 C ATOM 373 O ASN A 26 -23.408 -7.643 -7.403 1.00 0.00 O ATOM 374 CB ASN A 26 -20.926 -9.906 -7.984 1.00 0.00 C ATOM 375 CG ASN A 26 -22.156 -10.793 -8.187 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.709 -10.850 -9.268 1.00 0.00 O ATOM 377 ND2 ASN A 26 -22.610 -11.495 -7.185 1.00 0.00 N ATOM 0 H ASN A 26 -19.467 -7.773 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.795 -8.341 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.131 -10.209 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.541 -10.028 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.428 -12.091 -7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -22.146 -11.448 -6.278 1.00 0.00 H new ATOM 384 N GLY A 27 -21.767 -7.957 -5.898 1.00 0.00 N ATOM 385 CA GLY A 27 -22.586 -7.549 -4.765 1.00 0.00 C ATOM 386 C GLY A 27 -22.709 -6.039 -4.619 1.00 0.00 C ATOM 387 O GLY A 27 -23.011 -5.326 -5.574 1.00 0.00 O ATOM 0 H GLY A 27 -20.813 -8.226 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.582 -7.978 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.159 -7.961 -3.851 1.00 0.00 H new ATOM 391 N GLY A 28 -22.487 -5.574 -3.390 1.00 0.00 N ATOM 392 CA GLY A 28 -22.575 -4.150 -3.052 1.00 0.00 C ATOM 393 C GLY A 28 -21.219 -3.569 -2.718 1.00 0.00 C ATOM 394 O GLY A 28 -20.401 -3.339 -3.605 1.00 0.00 O ATOM 0 H GLY A 28 -22.241 -6.171 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.009 -3.603 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.246 -4.018 -2.203 1.00 0.00 H new ATOM 398 N TYR A 29 -20.986 -3.304 -1.430 1.00 0.00 N ATOM 399 CA TYR A 29 -19.717 -2.733 -0.972 1.00 0.00 C ATOM 400 C TYR A 29 -18.929 -3.775 -0.180 1.00 0.00 C ATOM 401 O TYR A 29 -19.503 -4.543 0.592 1.00 0.00 O ATOM 402 CB TYR A 29 -19.992 -1.525 -0.073 1.00 0.00 C ATOM 403 CG TYR A 29 -20.757 -0.473 -0.849 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.140 0.178 -1.939 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.082 -0.136 -0.487 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.845 1.161 -2.667 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.785 0.848 -1.216 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.166 1.498 -2.306 1.00 0.00 C ATOM 409 OH TYR A 29 -22.788 2.571 -2.910 1.00 0.00 O ATOM 0 H TYR A 29 -21.661 -3.476 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.136 -2.423 -1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.565 -1.834 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.052 -1.110 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.128 -0.076 -2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.556 -0.631 0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.372 1.656 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.797 1.104 -0.940 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.694 2.668 -2.551 1.00 0.00 H new ATOM 419 N ASN A 30 -17.609 -3.792 -0.373 1.00 0.00 N ATOM 420 CA ASN A 30 -16.733 -4.738 0.330 1.00 0.00 C ATOM 421 C ASN A 30 -15.509 -4.010 0.870 1.00 0.00 C ATOM 422 O ASN A 30 -14.836 -3.284 0.137 1.00 0.00 O ATOM 423 CB ASN A 30 -16.286 -5.850 -0.628 1.00 0.00 C ATOM 424 CG ASN A 30 -15.244 -6.745 0.050 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.582 -7.746 0.650 1.00 0.00 O ATOM 426 ND2 ASN A 30 -13.982 -6.421 -0.023 1.00 0.00 N ATOM 0 H ASN A 30 -17.121 -3.162 -1.010 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.286 -5.179 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.146 -6.447 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.866 -5.413 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.278 -7.008 0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.700 -5.580 -0.527 1.00 0.00 H new ATOM 433 N THR A 31 -15.223 -4.214 2.159 1.00 0.00 N ATOM 434 CA THR A 31 -14.071 -3.579 2.808 1.00 0.00 C ATOM 435 C THR A 31 -13.071 -4.623 3.268 1.00 0.00 C ATOM 436 O THR A 31 -13.157 -5.140 4.381 1.00 0.00 O ATOM 437 CB THR A 31 -14.512 -2.743 4.026 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.590 -1.897 3.651 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.340 -1.889 4.515 1.00 0.00 C ATOM 0 H THR A 31 -15.773 -4.814 2.774 1.00 0.00 H new ATOM 0 HA THR A 31 -13.605 -2.924 2.072 1.00 0.00 H new ATOM 0 HB THR A 31 -14.832 -3.410 4.827 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.269 -0.974 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.654 -1.299 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.512 -2.537 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.018 -1.222 3.716 1.00 0.00 H new ATOM 447 N SER A 32 -12.108 -4.911 2.398 1.00 0.00 N ATOM 448 CA SER A 32 -11.055 -5.879 2.696 1.00 0.00 C ATOM 449 C SER A 32 -9.757 -5.135 2.967 1.00 0.00 C ATOM 450 O SER A 32 -9.722 -3.903 2.955 1.00 0.00 O ATOM 451 CB SER A 32 -10.872 -6.834 1.507 1.00 0.00 C ATOM 452 OG SER A 32 -11.835 -7.874 1.597 1.00 0.00 O ATOM 0 H SER A 32 -12.034 -4.485 1.474 1.00 0.00 H new ATOM 0 HA SER A 32 -11.332 -6.461 3.575 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.989 -6.293 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.865 -7.252 1.511 1.00 0.00 H new ATOM 0 HG SER A 32 -11.726 -8.487 0.840 1.00 0.00 H new ATOM 458 N SER A 33 -8.687 -5.886 3.200 1.00 0.00 N ATOM 459 CA SER A 33 -7.386 -5.284 3.462 1.00 0.00 C ATOM 460 C SER A 33 -6.284 -6.096 2.802 1.00 0.00 C ATOM 461 O SER A 33 -6.450 -7.285 2.538 1.00 0.00 O ATOM 462 CB SER A 33 -7.135 -5.202 4.968 1.00 0.00 C ATOM 463 OG SER A 33 -7.299 -6.492 5.544 1.00 0.00 O ATOM 0 H SER A 33 -8.694 -6.906 3.213 1.00 0.00 H new ATOM 0 HA SER A 33 -7.382 -4.277 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.128 -4.831 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.828 -4.496 5.426 1.00 0.00 H new ATOM 0 HG SER A 33 -7.137 -6.442 6.509 1.00 0.00 H new ATOM 469 N ILE A 34 -5.157 -5.441 2.531 1.00 0.00 N ATOM 470 CA ILE A 34 -4.021 -6.105 1.893 1.00 0.00 C ATOM 471 C ILE A 34 -2.720 -5.640 2.530 1.00 0.00 C ATOM 472 O ILE A 34 -2.494 -4.445 2.722 1.00 0.00 O ATOM 473 CB ILE A 34 -4.002 -5.820 0.366 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.783 -6.533 -0.320 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.014 -4.303 0.107 1.00 0.00 C ATOM 476 CD1 ILE A 34 -1.552 -5.616 -0.485 1.00 0.00 C ATOM 0 H ILE A 34 -5.006 -4.455 2.742 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.124 -7.180 2.039 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.904 -6.235 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.501 -7.405 0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.089 -6.898 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.000 -4.117 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.915 -3.867 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.135 -3.849 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.746 -6.171 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.818 -4.757 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.221 -5.271 0.495 1.00 0.00 H new ATOM 488 N ASP A 35 -1.866 -6.601 2.862 1.00 0.00 N ATOM 489 CA ASP A 35 -0.582 -6.293 3.477 1.00 0.00 C ATOM 490 C ASP A 35 0.402 -5.850 2.403 1.00 0.00 C ATOM 491 O ASP A 35 0.758 -6.626 1.515 1.00 0.00 O ATOM 492 CB ASP A 35 -0.045 -7.530 4.214 1.00 0.00 C ATOM 493 CG ASP A 35 1.022 -7.114 5.233 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.666 -6.103 5.009 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.172 -7.813 6.222 1.00 0.00 O ATOM 0 H ASP A 35 -2.039 -7.596 2.716 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.709 -5.486 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.862 -8.044 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.380 -8.234 3.498 1.00 0.00 H new ATOM 500 N LEU A 36 0.852 -4.608 2.497 1.00 0.00 N ATOM 501 CA LEU A 36 1.808 -4.089 1.534 1.00 0.00 C ATOM 502 C LEU A 36 3.158 -4.731 1.783 1.00 0.00 C ATOM 503 O LEU A 36 4.107 -4.525 1.031 1.00 0.00 O ATOM 504 CB LEU A 36 1.938 -2.570 1.696 1.00 0.00 C ATOM 505 CG LEU A 36 0.574 -1.880 1.498 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.620 -0.470 2.099 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.242 -1.772 0.002 1.00 0.00 C ATOM 0 H LEU A 36 0.574 -3.948 3.223 1.00 0.00 H new ATOM 0 HA LEU A 36 1.464 -4.316 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.328 -2.337 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.655 -2.183 0.972 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.192 -2.475 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.345 0.017 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.842 -0.536 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.396 0.112 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.724 -1.283 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.012 -1.187 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.202 -2.770 -0.435 1.00 0.00 H new ATOM 519 N ASN A 37 3.229 -5.512 2.853 1.00 0.00 N ATOM 520 CA ASN A 37 4.466 -6.177 3.218 1.00 0.00 C ATOM 521 C ASN A 37 4.829 -7.284 2.244 1.00 0.00 C ATOM 522 O ASN A 37 5.996 -7.645 2.142 1.00 0.00 O ATOM 523 CB ASN A 37 4.367 -6.760 4.628 1.00 0.00 C ATOM 524 CG ASN A 37 5.694 -7.436 4.988 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.798 -6.741 4.959 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.727 -8.613 5.287 1.00 0.00 N flip ATOM 0 H ASN A 37 2.446 -5.698 3.479 1.00 0.00 H new ATOM 0 HA ASN A 37 5.251 -5.422 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.141 -5.971 5.345 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.552 -7.482 4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.865 -9.158 5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.617 -9.057 5.515 1.00 0.00 H new ATOM 533 N SER A 38 3.852 -7.862 1.547 1.00 0.00 N ATOM 534 CA SER A 38 4.145 -8.954 0.618 1.00 0.00 C ATOM 535 C SER A 38 4.443 -8.435 -0.785 1.00 0.00 C ATOM 536 O SER A 38 4.646 -9.228 -1.704 1.00 0.00 O ATOM 537 CB SER A 38 2.938 -9.891 0.547 1.00 0.00 C ATOM 538 OG SER A 38 2.751 -10.518 1.808 1.00 0.00 O ATOM 0 H SER A 38 2.868 -7.599 1.605 1.00 0.00 H new ATOM 0 HA SER A 38 5.026 -9.480 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.045 -9.331 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.093 -10.644 -0.226 1.00 0.00 H new ATOM 0 HG SER A 38 1.977 -11.117 1.764 1.00 0.00 H new ATOM 544 N VAL A 39 4.446 -7.112 -0.966 1.00 0.00 N ATOM 545 CA VAL A 39 4.699 -6.533 -2.294 1.00 0.00 C ATOM 546 C VAL A 39 5.596 -5.293 -2.215 1.00 0.00 C ATOM 547 O VAL A 39 5.795 -4.611 -3.217 1.00 0.00 O ATOM 548 CB VAL A 39 3.361 -6.159 -2.978 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.649 -7.433 -3.449 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.459 -5.425 -1.981 1.00 0.00 C ATOM 0 H VAL A 39 4.280 -6.429 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 39 5.218 -7.289 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 39 3.567 -5.514 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.708 -7.167 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.283 -7.962 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.449 -8.076 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.518 -5.163 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.259 -6.072 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.957 -4.517 -1.640 1.00 0.00 H new ATOM 560 N ILE A 40 6.153 -5.011 -1.033 1.00 0.00 N ATOM 561 CA ILE A 40 7.047 -3.849 -0.859 1.00 0.00 C ATOM 562 C ILE A 40 8.294 -4.252 -0.063 1.00 0.00 C ATOM 563 O ILE A 40 8.195 -4.954 0.934 1.00 0.00 O ATOM 564 CB ILE A 40 6.322 -2.689 -0.122 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.150 -2.145 -0.981 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.307 -1.559 0.207 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.627 -1.153 -2.056 1.00 0.00 C ATOM 0 H ILE A 40 6.006 -5.562 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 40 7.340 -3.505 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 40 5.917 -3.080 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.636 -2.978 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.424 -1.654 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.780 -0.756 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.100 -1.943 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.741 -1.174 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.771 -0.800 -2.631 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.117 -0.305 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.332 -1.650 -2.723 1.00 0.00 H new ATOM 579 N ALA A 41 9.471 -3.794 -0.524 1.00 0.00 N ATOM 580 CA ALA A 41 10.758 -4.102 0.134 1.00 0.00 C ATOM 581 C ALA A 41 11.482 -2.809 0.541 1.00 0.00 C ATOM 582 O ALA A 41 11.409 -1.803 -0.165 1.00 0.00 O ATOM 583 CB ALA A 41 11.639 -4.903 -0.828 1.00 0.00 C ATOM 0 H ALA A 41 9.560 -3.207 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 41 10.563 -4.687 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.589 -5.132 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.135 -5.832 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.821 -4.317 -1.729 1.00 0.00 H new ATOM 589 N ALA A 42 12.198 -2.848 1.677 1.00 0.00 N ATOM 590 CA ALA A 42 12.954 -1.676 2.157 1.00 0.00 C ATOM 591 C ALA A 42 14.426 -1.807 1.789 1.00 0.00 C ATOM 592 O ALA A 42 15.139 -2.629 2.365 1.00 0.00 O ATOM 593 CB ALA A 42 12.858 -1.545 3.675 1.00 0.00 C ATOM 0 H ALA A 42 12.270 -3.670 2.277 1.00 0.00 H new ATOM 0 HA ALA A 42 12.521 -0.795 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.424 -0.673 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.814 -1.429 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.267 -2.440 4.144 1.00 0.00 H new ATOM 599 N VAL A 43 14.877 -1.003 0.826 1.00 0.00 N ATOM 600 CA VAL A 43 16.277 -1.038 0.384 1.00 0.00 C ATOM 601 C VAL A 43 16.914 0.352 0.475 1.00 0.00 C ATOM 602 O VAL A 43 16.680 1.219 -0.364 1.00 0.00 O ATOM 603 CB VAL A 43 16.382 -1.582 -1.066 1.00 0.00 C ATOM 604 CG1 VAL A 43 15.395 -0.864 -1.996 1.00 0.00 C ATOM 605 CG2 VAL A 43 17.812 -1.406 -1.598 1.00 0.00 C ATOM 0 H VAL A 43 14.298 -0.321 0.337 1.00 0.00 H new ATOM 0 HA VAL A 43 16.821 -1.710 1.048 1.00 0.00 H new ATOM 0 HB VAL A 43 16.132 -2.643 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.489 -1.264 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.378 -1.020 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.616 0.203 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.872 -1.792 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 43 18.074 -0.348 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.507 -1.953 -0.961 1.00 0.00 H new ATOM 615 N ASP A 44 17.723 0.547 1.513 1.00 0.00 N ATOM 616 CA ASP A 44 18.411 1.816 1.728 1.00 0.00 C ATOM 617 C ASP A 44 17.426 2.955 1.970 1.00 0.00 C ATOM 618 O ASP A 44 17.699 4.102 1.617 1.00 0.00 O ATOM 619 CB ASP A 44 19.297 2.150 0.521 1.00 0.00 C ATOM 620 CG ASP A 44 20.284 3.262 0.893 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.069 3.904 1.909 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.237 3.451 0.156 1.00 0.00 O ATOM 0 H ASP A 44 17.918 -0.161 2.221 1.00 0.00 H new ATOM 0 HA ASP A 44 19.031 1.707 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.840 1.261 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.679 2.466 -0.319 1.00 0.00 H new ATOM 627 N GLY A 45 16.282 2.644 2.571 1.00 0.00 N ATOM 628 CA GLY A 45 15.284 3.662 2.846 1.00 0.00 C ATOM 629 C GLY A 45 14.461 3.992 1.620 1.00 0.00 C ATOM 630 O GLY A 45 14.112 5.148 1.392 1.00 0.00 O ATOM 0 H GLY A 45 16.028 1.704 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.625 3.318 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.777 4.565 3.206 1.00 0.00 H new ATOM 634 N SER A 46 14.148 2.970 0.824 1.00 0.00 N ATOM 635 CA SER A 46 13.356 3.158 -0.396 1.00 0.00 C ATOM 636 C SER A 46 12.354 2.022 -0.568 1.00 0.00 C ATOM 637 O SER A 46 12.725 0.848 -0.562 1.00 0.00 O ATOM 638 CB SER A 46 14.283 3.203 -1.611 1.00 0.00 C ATOM 639 OG SER A 46 15.249 4.229 -1.431 1.00 0.00 O ATOM 0 H SER A 46 14.429 2.005 0.999 1.00 0.00 H new ATOM 0 HA SER A 46 12.811 4.098 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.778 2.241 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.705 3.388 -2.516 1.00 0.00 H new ATOM 0 HG SER A 46 15.845 4.258 -2.209 1.00 0.00 H new ATOM 645 N LEU A 47 11.081 2.381 -0.734 1.00 0.00 N ATOM 646 CA LEU A 47 10.027 1.384 -0.926 1.00 0.00 C ATOM 647 C LEU A 47 9.913 1.024 -2.401 1.00 0.00 C ATOM 648 O LEU A 47 9.609 1.874 -3.238 1.00 0.00 O ATOM 649 CB LEU A 47 8.680 1.918 -0.431 1.00 0.00 C ATOM 650 CG LEU A 47 8.780 2.354 1.036 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.433 2.935 1.472 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.144 1.158 1.938 1.00 0.00 C ATOM 0 H LEU A 47 10.756 3.348 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 47 10.289 0.496 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.368 2.762 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.916 1.148 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 47 9.564 3.106 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.492 3.249 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.188 3.794 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.658 2.176 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.210 1.490 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.376 0.390 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.105 0.747 1.627 1.00 0.00 H new ATOM 664 N LYS A 48 10.170 -0.247 -2.709 1.00 0.00 N ATOM 665 CA LYS A 48 10.109 -0.747 -4.087 1.00 0.00 C ATOM 666 C LYS A 48 9.096 -1.879 -4.189 1.00 0.00 C ATOM 667 O LYS A 48 8.984 -2.700 -3.285 1.00 0.00 O ATOM 668 CB LYS A 48 11.496 -1.257 -4.499 1.00 0.00 C ATOM 669 CG LYS A 48 12.543 -0.102 -4.426 1.00 0.00 C ATOM 670 CD LYS A 48 12.944 0.374 -5.840 1.00 0.00 C ATOM 671 CE LYS A 48 13.984 -0.583 -6.441 1.00 0.00 C ATOM 672 NZ LYS A 48 14.073 -0.361 -7.910 1.00 0.00 N ATOM 0 H LYS A 48 10.424 -0.955 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 48 9.801 0.061 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.800 -2.074 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.457 -1.658 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.129 0.733 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.428 -0.443 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.064 0.417 -6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.352 1.383 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.957 -0.417 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.705 -1.616 -6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.777 -1.009 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.145 -0.540 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.359 0.622 -8.096 1.00 0.00 H new ATOM 686 N TRP A 49 8.356 -1.909 -5.291 1.00 0.00 N ATOM 687 CA TRP A 49 7.341 -2.939 -5.498 1.00 0.00 C ATOM 688 C TRP A 49 7.971 -4.324 -5.632 1.00 0.00 C ATOM 689 O TRP A 49 9.169 -4.496 -5.413 1.00 0.00 O ATOM 690 CB TRP A 49 6.522 -2.607 -6.756 1.00 0.00 C ATOM 691 CG TRP A 49 5.580 -1.490 -6.448 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.638 -0.243 -6.971 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.449 -1.504 -5.538 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.608 0.511 -6.439 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.849 -0.220 -5.549 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.886 -2.502 -4.707 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.732 0.068 -4.761 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.754 -2.218 -3.909 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.178 -0.931 -3.936 1.00 0.00 C ATOM 0 H TRP A 49 8.438 -1.236 -6.053 1.00 0.00 H new ATOM 0 HA TRP A 49 6.686 -2.955 -4.627 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.186 -2.324 -7.573 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.968 -3.486 -7.086 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.368 0.106 -7.686 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.431 1.487 -6.676 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.325 -3.489 -4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.294 1.055 -4.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.331 -2.986 -3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.314 -0.712 -3.326 1.00 0.00 H new ATOM 710 N GLN A 50 7.136 -5.307 -5.986 1.00 0.00 N ATOM 711 CA GLN A 50 7.578 -6.697 -6.150 1.00 0.00 C ATOM 712 C GLN A 50 8.633 -7.075 -5.116 1.00 0.00 C ATOM 713 O GLN A 50 9.642 -7.697 -5.443 1.00 0.00 O ATOM 714 CB GLN A 50 8.126 -6.928 -7.566 1.00 0.00 C ATOM 715 CG GLN A 50 9.287 -5.967 -7.863 1.00 0.00 C ATOM 716 CD GLN A 50 10.000 -6.410 -9.142 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.370 -6.637 -10.155 1.00 0.00 O ATOM 718 NE2 GLN A 50 11.297 -6.545 -9.136 1.00 0.00 N ATOM 0 H GLN A 50 6.142 -5.164 -6.166 1.00 0.00 H new ATOM 0 HA GLN A 50 6.708 -7.336 -5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.466 -7.959 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.331 -6.782 -8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.912 -4.950 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.988 -5.957 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.826 -6.354 -8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.783 -6.841 -9.982 1.00 0.00 H new ATOM 727 N GLY A 51 8.394 -6.691 -3.865 1.00 0.00 N ATOM 728 CA GLY A 51 9.327 -6.983 -2.788 1.00 0.00 C ATOM 729 C GLY A 51 8.615 -7.289 -1.488 1.00 0.00 C ATOM 730 O GLY A 51 7.386 -7.317 -1.433 1.00 0.00 O ATOM 0 H GLY A 51 7.562 -6.177 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.950 -7.832 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.993 -6.132 -2.645 1.00 0.00 H new ATOM 734 N SER A 52 9.392 -7.521 -0.434 1.00 0.00 N ATOM 735 CA SER A 52 8.821 -7.829 0.873 1.00 0.00 C ATOM 736 C SER A 52 9.829 -7.542 1.985 1.00 0.00 C ATOM 737 O SER A 52 10.983 -7.201 1.722 1.00 0.00 O ATOM 738 CB SER A 52 8.390 -9.300 0.918 1.00 0.00 C ATOM 739 OG SER A 52 9.409 -10.104 0.341 1.00 0.00 O ATOM 0 H SER A 52 10.412 -7.502 -0.458 1.00 0.00 H new ATOM 0 HA SER A 52 7.949 -7.194 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.208 -9.607 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.454 -9.434 0.376 1.00 0.00 H new ATOM 0 HG SER A 52 9.138 -11.045 0.369 1.00 0.00 H new ATOM 745 N ASN A 53 9.384 -7.703 3.227 1.00 0.00 N ATOM 746 CA ASN A 53 10.251 -7.480 4.383 1.00 0.00 C ATOM 747 C ASN A 53 10.693 -6.005 4.455 1.00 0.00 C ATOM 748 O ASN A 53 11.879 -5.704 4.594 1.00 0.00 O ATOM 749 CB ASN A 53 11.478 -8.446 4.291 1.00 0.00 C ATOM 750 CG ASN A 53 11.581 -9.328 5.544 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.822 -10.514 5.444 1.00 0.00 O ATOM 752 ND2 ASN A 53 11.406 -8.794 6.721 1.00 0.00 N ATOM 0 H ASN A 53 8.432 -7.986 3.460 1.00 0.00 H new ATOM 0 HA ASN A 53 9.704 -7.694 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.384 -9.075 3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.394 -7.866 4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.472 -9.373 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.204 -7.798 6.804 1.00 0.00 H new ATOM 759 N PHE A 54 9.723 -5.082 4.379 1.00 0.00 N ATOM 760 CA PHE A 54 10.020 -3.639 4.449 1.00 0.00 C ATOM 761 C PHE A 54 9.524 -3.059 5.767 1.00 0.00 C ATOM 762 O PHE A 54 10.145 -2.166 6.330 1.00 0.00 O ATOM 763 CB PHE A 54 9.363 -2.896 3.248 1.00 0.00 C ATOM 764 CG PHE A 54 7.988 -2.352 3.591 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.860 -1.110 4.248 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.841 -3.086 3.248 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.578 -0.607 4.563 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.557 -2.587 3.559 1.00 0.00 C ATOM 769 CZ PHE A 54 5.425 -1.346 4.219 1.00 0.00 C ATOM 0 H PHE A 54 8.733 -5.304 4.270 1.00 0.00 H new ATOM 0 HA PHE A 54 11.100 -3.502 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.008 -2.075 2.934 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.281 -3.578 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.742 -0.544 4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.941 -4.036 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.480 0.343 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.677 -3.154 3.292 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.445 -0.963 4.460 1.00 0.00 H new ATOM 779 N ILE A 55 8.411 -3.597 6.246 1.00 0.00 N ATOM 780 CA ILE A 55 7.822 -3.132 7.494 1.00 0.00 C ATOM 781 C ILE A 55 8.763 -3.363 8.660 1.00 0.00 C ATOM 782 O ILE A 55 8.864 -2.531 9.560 1.00 0.00 O ATOM 783 CB ILE A 55 6.489 -3.852 7.782 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.871 -3.348 9.108 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.736 -5.360 7.884 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.697 -1.816 9.085 1.00 0.00 C ATOM 0 H ILE A 55 7.899 -4.353 5.791 1.00 0.00 H new ATOM 0 HA ILE A 55 7.639 -2.063 7.381 1.00 0.00 H new ATOM 0 HB ILE A 55 5.797 -3.640 6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.904 -3.826 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.510 -3.633 9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.794 -5.870 8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.151 -5.725 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.439 -5.560 8.693 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.261 -1.485 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.669 -1.341 8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.038 -1.537 8.263 1.00 0.00 H new ATOM 798 N GLU A 56 9.449 -4.496 8.649 1.00 0.00 N ATOM 799 CA GLU A 56 10.373 -4.803 9.727 1.00 0.00 C ATOM 800 C GLU A 56 11.352 -3.653 9.909 1.00 0.00 C ATOM 801 O GLU A 56 11.830 -3.403 11.016 1.00 0.00 O ATOM 802 CB GLU A 56 11.146 -6.098 9.428 1.00 0.00 C ATOM 803 CG GLU A 56 10.198 -7.334 9.471 1.00 0.00 C ATOM 804 CD GLU A 56 10.916 -8.530 10.111 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.723 -9.146 9.434 1.00 0.00 O ATOM 806 OE2 GLU A 56 10.649 -8.802 11.270 1.00 0.00 O ATOM 0 H GLU A 56 9.385 -5.206 7.919 1.00 0.00 H new ATOM 0 HA GLU A 56 9.800 -4.943 10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.615 -6.028 8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.948 -6.224 10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.300 -7.093 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.877 -7.591 8.461 1.00 0.00 H new ATOM 813 N ALA A 57 11.657 -2.960 8.809 1.00 0.00 N ATOM 814 CA ALA A 57 12.592 -1.835 8.840 1.00 0.00 C ATOM 815 C ALA A 57 11.880 -0.507 8.592 1.00 0.00 C ATOM 816 O ALA A 57 12.527 0.468 8.216 1.00 0.00 O ATOM 817 CB ALA A 57 13.661 -2.041 7.779 1.00 0.00 C ATOM 0 H ALA A 57 11.270 -3.159 7.887 1.00 0.00 H new ATOM 0 HA ALA A 57 13.044 -1.796 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.360 -1.205 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.199 -2.968 7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.192 -2.099 6.797 1.00 0.00 H new ATOM 823 N CYS A 58 10.548 -0.460 8.792 1.00 0.00 N ATOM 824 CA CYS A 58 9.782 0.787 8.580 1.00 0.00 C ATOM 825 C CYS A 58 8.864 1.082 9.766 1.00 0.00 C ATOM 826 O CYS A 58 8.650 0.238 10.635 1.00 0.00 O ATOM 827 CB CYS A 58 8.952 0.711 7.266 1.00 0.00 C ATOM 828 SG CYS A 58 9.445 2.023 6.108 1.00 0.00 S ATOM 0 H CYS A 58 9.987 -1.256 9.095 1.00 0.00 H new ATOM 0 HA CYS A 58 10.500 1.602 8.493 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.093 -0.264 6.798 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.891 0.804 7.496 1.00 0.00 H new ATOM 833 N ARG A 59 8.329 2.302 9.775 1.00 0.00 N ATOM 834 CA ARG A 59 7.431 2.741 10.837 1.00 0.00 C ATOM 835 C ARG A 59 6.656 3.981 10.396 1.00 0.00 C ATOM 836 O ARG A 59 6.969 4.585 9.369 1.00 0.00 O ATOM 837 CB ARG A 59 8.241 3.062 12.101 1.00 0.00 C ATOM 838 CG ARG A 59 9.155 4.309 11.873 1.00 0.00 C ATOM 839 CD ARG A 59 10.592 4.010 12.320 1.00 0.00 C ATOM 840 NE ARG A 59 11.459 5.199 12.046 1.00 0.00 N ATOM 841 CZ ARG A 59 11.587 6.156 12.932 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.017 6.057 14.103 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.287 7.219 12.642 1.00 0.00 N ATOM 0 H ARG A 59 8.504 3.004 9.056 1.00 0.00 H new ATOM 0 HA ARG A 59 6.724 1.940 11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.564 3.249 12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.853 2.202 12.374 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.146 4.586 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.764 5.161 12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.611 3.770 13.383 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.975 3.138 11.790 1.00 0.00 H new ATOM 0 HE ARG A 59 11.957 5.265 11.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.467 5.230 14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.122 6.807 14.786 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.732 7.303 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.389 7.966 13.329 1.00 0.00 H new ATOM 857 N ASN A 60 5.650 4.355 11.177 1.00 0.00 N ATOM 858 CA ASN A 60 4.841 5.526 10.854 1.00 0.00 C ATOM 859 C ASN A 60 4.328 5.436 9.424 1.00 0.00 C ATOM 860 O ASN A 60 4.640 6.289 8.593 1.00 0.00 O ATOM 861 CB ASN A 60 5.674 6.805 11.016 1.00 0.00 C ATOM 862 CG ASN A 60 5.868 7.117 12.501 1.00 0.00 C ATOM 863 OD1 ASN A 60 4.909 7.252 13.234 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.076 7.242 12.976 1.00 0.00 N ATOM 0 H ASN A 60 5.376 3.870 12.031 1.00 0.00 H new ATOM 0 HA ASN A 60 3.993 5.557 11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.643 6.682 10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.175 7.639 10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.216 7.453 13.964 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.881 7.128 12.360 1.00 0.00 H new ATOM 871 N THR A 61 3.525 4.414 9.139 1.00 0.00 N ATOM 872 CA THR A 61 2.958 4.236 7.805 1.00 0.00 C ATOM 873 C THR A 61 1.515 4.727 7.798 1.00 0.00 C ATOM 874 O THR A 61 0.775 4.515 8.758 1.00 0.00 O ATOM 875 CB THR A 61 3.004 2.748 7.394 1.00 0.00 C ATOM 876 OG1 THR A 61 1.993 2.035 8.085 1.00 0.00 O ATOM 877 CG2 THR A 61 4.378 2.151 7.740 1.00 0.00 C ATOM 0 H THR A 61 3.253 3.698 9.812 1.00 0.00 H new ATOM 0 HA THR A 61 3.545 4.813 7.091 1.00 0.00 H new ATOM 0 HB THR A 61 2.839 2.669 6.319 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.474 1.502 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.403 1.101 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.156 2.695 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.550 2.232 8.813 1.00 0.00 H new ATOM 885 N GLN A 62 1.119 5.392 6.716 1.00 0.00 N ATOM 886 CA GLN A 62 -0.239 5.918 6.614 1.00 0.00 C ATOM 887 C GLN A 62 -0.583 6.266 5.169 1.00 0.00 C ATOM 888 O GLN A 62 0.264 6.189 4.279 1.00 0.00 O ATOM 889 CB GLN A 62 -0.381 7.179 7.480 1.00 0.00 C ATOM 890 CG GLN A 62 0.652 8.270 7.043 1.00 0.00 C ATOM 891 CD GLN A 62 -0.055 9.594 6.704 1.00 0.00 C ATOM 892 OE1 GLN A 62 -1.105 9.895 7.236 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.486 10.401 5.833 1.00 0.00 N ATOM 0 H GLN A 62 1.711 5.578 5.906 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.925 5.147 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.393 7.574 7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.227 6.925 8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.374 8.434 7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.211 7.920 6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.367 10.151 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.027 11.282 5.600 1.00 0.00 H new ATOM 902 N LEU A 63 -1.836 6.660 4.951 1.00 0.00 N ATOM 903 CA LEU A 63 -2.308 7.037 3.620 1.00 0.00 C ATOM 904 C LEU A 63 -2.103 8.531 3.397 1.00 0.00 C ATOM 905 O LEU A 63 -2.458 9.347 4.249 1.00 0.00 O ATOM 906 CB LEU A 63 -3.801 6.704 3.496 1.00 0.00 C ATOM 907 CG LEU A 63 -4.276 6.863 2.029 1.00 0.00 C ATOM 908 CD1 LEU A 63 -3.996 5.582 1.228 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.783 7.144 2.006 1.00 0.00 C ATOM 0 H LEU A 63 -2.545 6.727 5.681 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.743 6.483 2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.981 5.683 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.381 7.361 4.145 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.732 7.692 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.336 5.713 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.925 5.377 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.527 4.746 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.117 7.256 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.315 6.314 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.990 8.062 2.556 1.00 0.00 H new ATOM 921 N ALA A 64 -1.533 8.886 2.244 1.00 0.00 N ATOM 922 CA ALA A 64 -1.280 10.291 1.904 1.00 0.00 C ATOM 923 C ALA A 64 -1.915 10.642 0.561 1.00 0.00 C ATOM 924 O ALA A 64 -1.787 9.898 -0.409 1.00 0.00 O ATOM 925 CB ALA A 64 0.221 10.535 1.843 1.00 0.00 C ATOM 0 H ALA A 64 -1.237 8.222 1.529 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.724 10.924 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.410 11.578 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.666 10.310 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.664 9.892 1.082 1.00 0.00 H new ATOM 931 N GLY A 65 -2.588 11.788 0.514 1.00 0.00 N ATOM 932 CA GLY A 65 -3.226 12.244 -0.712 1.00 0.00 C ATOM 933 C GLY A 65 -4.490 11.474 -1.056 1.00 0.00 C ATOM 934 O GLY A 65 -5.541 12.070 -1.280 1.00 0.00 O ATOM 0 H GLY A 65 -2.704 12.415 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.469 13.302 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.519 12.154 -1.536 1.00 0.00 H new ATOM 938 N SER A 66 -4.386 10.144 -1.081 1.00 0.00 N ATOM 939 CA SER A 66 -5.540 9.288 -1.393 1.00 0.00 C ATOM 940 C SER A 66 -5.092 7.877 -1.778 1.00 0.00 C ATOM 941 O SER A 66 -5.690 6.895 -1.340 1.00 0.00 O ATOM 942 CB SER A 66 -6.376 9.901 -2.538 1.00 0.00 C ATOM 943 OG SER A 66 -7.379 10.741 -1.982 1.00 0.00 O ATOM 0 H SER A 66 -3.522 9.636 -0.891 1.00 0.00 H new ATOM 0 HA SER A 66 -6.156 9.223 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.734 10.474 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.834 9.111 -3.134 1.00 0.00 H new ATOM 0 HG SER A 66 -6.964 11.386 -1.372 1.00 0.00 H new ATOM 949 N SER A 67 -4.059 7.781 -2.621 1.00 0.00 N ATOM 950 CA SER A 67 -3.561 6.476 -3.079 1.00 0.00 C ATOM 951 C SER A 67 -2.046 6.384 -2.939 1.00 0.00 C ATOM 952 O SER A 67 -1.411 5.575 -3.610 1.00 0.00 O ATOM 953 CB SER A 67 -3.953 6.256 -4.547 1.00 0.00 C ATOM 954 OG SER A 67 -2.922 6.752 -5.392 1.00 0.00 O ATOM 0 H SER A 67 -3.554 8.583 -2.999 1.00 0.00 H new ATOM 0 HA SER A 67 -4.012 5.704 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.114 5.195 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.892 6.765 -4.764 1.00 0.00 H new ATOM 0 HG SER A 67 -2.112 6.215 -5.269 1.00 0.00 H new ATOM 960 N GLU A 68 -1.469 7.200 -2.054 1.00 0.00 N ATOM 961 CA GLU A 68 -0.018 7.177 -1.820 1.00 0.00 C ATOM 962 C GLU A 68 0.261 6.666 -0.417 1.00 0.00 C ATOM 963 O GLU A 68 -0.567 6.816 0.483 1.00 0.00 O ATOM 964 CB GLU A 68 0.592 8.572 -2.006 1.00 0.00 C ATOM 965 CG GLU A 68 0.095 9.188 -3.328 1.00 0.00 C ATOM 966 CD GLU A 68 1.035 10.316 -3.772 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.232 10.170 -3.590 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.540 11.303 -4.294 1.00 0.00 O ATOM 0 H GLU A 68 -1.977 7.881 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 68 0.442 6.510 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.317 9.214 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.680 8.505 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.046 8.420 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.916 9.576 -3.200 1.00 0.00 H new ATOM 975 N LEU A 69 1.430 6.049 -0.240 1.00 0.00 N ATOM 976 CA LEU A 69 1.824 5.490 1.058 1.00 0.00 C ATOM 977 C LEU A 69 3.050 6.200 1.591 1.00 0.00 C ATOM 978 O LEU A 69 4.150 6.029 1.076 1.00 0.00 O ATOM 979 CB LEU A 69 2.120 3.985 0.891 1.00 0.00 C ATOM 980 CG LEU A 69 2.613 3.300 2.205 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.140 3.464 2.411 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.870 3.848 3.432 1.00 0.00 C ATOM 0 H LEU A 69 2.122 5.923 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 69 1.010 5.629 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.218 3.481 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.876 3.855 0.117 1.00 0.00 H new ATOM 0 HG LEU A 69 2.394 2.238 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.437 2.972 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.671 3.012 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.388 4.524 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.236 3.351 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.044 4.921 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.802 3.661 3.324 1.00 0.00 H new ATOM 994 N ALA A 70 2.854 6.974 2.654 1.00 0.00 N ATOM 995 CA ALA A 70 3.952 7.694 3.295 1.00 0.00 C ATOM 996 C ALA A 70 4.458 6.888 4.484 1.00 0.00 C ATOM 997 O ALA A 70 3.672 6.434 5.316 1.00 0.00 O ATOM 998 CB ALA A 70 3.470 9.058 3.763 1.00 0.00 C ATOM 0 H ALA A 70 1.944 7.120 3.091 1.00 0.00 H new ATOM 0 HA ALA A 70 4.763 7.832 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.293 9.591 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.114 9.632 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.657 8.931 4.478 1.00 0.00 H new ATOM 1004 N ALA A 71 5.769 6.705 4.558 1.00 0.00 N ATOM 1005 CA ALA A 71 6.361 5.944 5.650 1.00 0.00 C ATOM 1006 C ALA A 71 7.841 6.259 5.773 1.00 0.00 C ATOM 1007 O ALA A 71 8.410 6.957 4.935 1.00 0.00 O ATOM 1008 CB ALA A 71 6.175 4.455 5.401 1.00 0.00 C ATOM 0 H ALA A 71 6.439 7.070 3.881 1.00 0.00 H new ATOM 0 HA ALA A 71 5.863 6.222 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.620 3.891 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.111 4.227 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.661 4.179 4.465 1.00 0.00 H new ATOM 1014 N GLU A 72 8.458 5.731 6.825 1.00 0.00 N ATOM 1015 CA GLU A 72 9.885 5.939 7.073 1.00 0.00 C ATOM 1016 C GLU A 72 10.585 4.587 7.152 1.00 0.00 C ATOM 1017 O GLU A 72 10.233 3.774 7.994 1.00 0.00 O ATOM 1018 CB GLU A 72 10.071 6.698 8.402 1.00 0.00 C ATOM 1019 CG GLU A 72 9.860 8.210 8.214 1.00 0.00 C ATOM 1020 CD GLU A 72 10.399 8.956 9.442 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.609 9.011 9.592 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.594 9.456 10.210 1.00 0.00 O ATOM 0 H GLU A 72 7.992 5.153 7.524 1.00 0.00 H new ATOM 0 HA GLU A 72 10.316 6.524 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.366 6.319 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.072 6.514 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.372 8.551 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.800 8.427 8.079 1.00 0.00 H new ATOM 1029 N CYS A 73 11.597 4.366 6.294 1.00 0.00 N ATOM 1030 CA CYS A 73 12.358 3.100 6.292 1.00 0.00 C ATOM 1031 C CYS A 73 13.829 3.361 6.626 1.00 0.00 C ATOM 1032 O CYS A 73 14.382 4.410 6.295 1.00 0.00 O ATOM 1033 CB CYS A 73 12.225 2.392 4.923 1.00 0.00 C ATOM 1034 SG CYS A 73 10.875 1.177 4.962 1.00 0.00 S ATOM 0 H CYS A 73 11.907 5.042 5.596 1.00 0.00 H new ATOM 0 HA CYS A 73 11.944 2.444 7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.036 3.129 4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.162 1.895 4.672 1.00 0.00 H new ATOM 1039 N LYS A 74 14.436 2.393 7.307 1.00 0.00 N ATOM 1040 CA LYS A 74 15.830 2.495 7.732 1.00 0.00 C ATOM 1041 C LYS A 74 16.805 2.320 6.561 1.00 0.00 C ATOM 1042 O LYS A 74 16.710 1.367 5.790 1.00 0.00 O ATOM 1043 CB LYS A 74 16.096 1.429 8.830 1.00 0.00 C ATOM 1044 CG LYS A 74 16.819 2.050 10.032 1.00 0.00 C ATOM 1045 CD LYS A 74 17.072 0.968 11.084 1.00 0.00 C ATOM 1046 CE LYS A 74 17.838 1.562 12.269 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.383 0.457 13.106 1.00 0.00 N ATOM 0 H LYS A 74 13.980 1.522 7.578 1.00 0.00 H new ATOM 0 HA LYS A 74 15.999 3.495 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.152 0.992 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.697 0.619 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.763 2.492 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.218 2.853 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.124 0.551 11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.642 0.148 10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.649 2.197 11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.178 2.193 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.904 0.857 13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.600 -0.131 13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.026 -0.127 12.534 1.00 0.00 H new ATOM 1061 N THR A 75 17.738 3.263 6.448 1.00 0.00 N ATOM 1062 CA THR A 75 18.740 3.231 5.384 1.00 0.00 C ATOM 1063 C THR A 75 19.834 2.213 5.702 1.00 0.00 C ATOM 1064 O THR A 75 19.865 1.635 6.789 1.00 0.00 O ATOM 1065 CB THR A 75 19.395 4.614 5.200 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.851 5.092 6.457 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.370 5.591 4.624 1.00 0.00 C ATOM 0 H THR A 75 17.821 4.059 7.080 1.00 0.00 H new ATOM 0 HA THR A 75 18.227 2.946 4.465 1.00 0.00 H new ATOM 0 HB THR A 75 20.239 4.529 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.104 5.500 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.833 6.569 4.494 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.020 5.224 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.526 5.677 5.308 1.00 0.00 H new ATOM 1075 N ALA A 76 20.729 1.998 4.741 1.00 0.00 N ATOM 1076 CA ALA A 76 21.821 1.046 4.920 1.00 0.00 C ATOM 1077 C ALA A 76 22.705 1.450 6.096 1.00 0.00 C ATOM 1078 O ALA A 76 23.336 0.602 6.730 1.00 0.00 O ATOM 1079 CB ALA A 76 22.652 0.977 3.649 1.00 0.00 C ATOM 0 H ALA A 76 20.720 2.467 3.835 1.00 0.00 H new ATOM 0 HA ALA A 76 21.396 0.065 5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.467 0.266 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.023 0.654 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.063 1.962 3.429 1.00 0.00 H new ATOM 1085 N ALA A 77 22.750 2.749 6.381 1.00 0.00 N ATOM 1086 CA ALA A 77 23.565 3.260 7.482 1.00 0.00 C ATOM 1087 C ALA A 77 22.845 3.089 8.815 1.00 0.00 C ATOM 1088 O ALA A 77 23.466 3.138 9.877 1.00 0.00 O ATOM 1089 CB ALA A 77 23.869 4.732 7.252 1.00 0.00 C ATOM 0 H ALA A 77 22.235 3.465 5.868 1.00 0.00 H new ATOM 0 HA ALA A 77 24.495 2.692 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.477 5.111 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.413 4.849 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.936 5.293 7.202 1.00 0.00 H new ATOM 1095 N GLY A 78 21.528 2.882 8.757 1.00 0.00 N ATOM 1096 CA GLY A 78 20.727 2.702 9.963 1.00 0.00 C ATOM 1097 C GLY A 78 19.967 3.963 10.339 1.00 0.00 C ATOM 1098 O GLY A 78 19.752 4.236 11.520 1.00 0.00 O ATOM 0 H GLY A 78 20.997 2.835 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.021 1.886 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.376 2.411 10.789 1.00 0.00 H new ATOM 1102 N GLN A 79 19.565 4.745 9.329 1.00 0.00 N ATOM 1103 CA GLN A 79 18.828 5.999 9.563 1.00 0.00 C ATOM 1104 C GLN A 79 17.512 6.009 8.788 1.00 0.00 C ATOM 1105 O GLN A 79 17.469 5.721 7.593 1.00 0.00 O ATOM 1106 CB GLN A 79 19.696 7.198 9.147 1.00 0.00 C ATOM 1107 CG GLN A 79 20.754 7.468 10.228 1.00 0.00 C ATOM 1108 CD GLN A 79 21.838 8.394 9.678 1.00 0.00 C ATOM 1109 OE1 GLN A 79 22.984 8.006 9.574 1.00 0.00 O ATOM 1110 NE2 GLN A 79 21.524 9.608 9.320 1.00 0.00 N ATOM 0 H GLN A 79 19.735 4.535 8.345 1.00 0.00 H new ATOM 0 HA GLN A 79 18.598 6.073 10.626 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.181 6.995 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 79 19.072 8.080 9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.286 7.921 11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.199 6.528 10.556 1.00 0.00 H new ATOM 0 HE21 GLN A 79 20.561 9.933 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.241 10.233 8.952 1.00 0.00 H new ATOM 1119 N PHE A 80 16.443 6.341 9.501 1.00 0.00 N ATOM 1120 CA PHE A 80 15.107 6.390 8.924 1.00 0.00 C ATOM 1121 C PHE A 80 14.898 7.654 8.086 1.00 0.00 C ATOM 1122 O PHE A 80 14.944 8.769 8.603 1.00 0.00 O ATOM 1123 CB PHE A 80 14.081 6.352 10.063 1.00 0.00 C ATOM 1124 CG PHE A 80 14.013 4.961 10.664 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.294 3.940 10.004 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.660 4.685 11.890 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.225 2.647 10.569 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.589 3.393 12.452 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.872 2.373 11.792 1.00 0.00 C ATOM 0 H PHE A 80 16.478 6.583 10.491 1.00 0.00 H new ATOM 0 HA PHE A 80 14.982 5.533 8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.354 7.075 10.832 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.100 6.642 9.687 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.797 4.148 9.068 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.209 5.464 12.397 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.676 1.867 10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 80 15.084 3.184 13.389 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.819 1.384 12.222 1.00 0.00 H new ATOM 1139 N VAL A 81 14.644 7.465 6.787 1.00 0.00 N ATOM 1140 CA VAL A 81 14.396 8.585 5.868 1.00 0.00 C ATOM 1141 C VAL A 81 12.917 8.609 5.500 1.00 0.00 C ATOM 1142 O VAL A 81 12.164 7.762 5.954 1.00 0.00 O ATOM 1143 CB VAL A 81 15.225 8.444 4.580 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.703 8.650 4.907 1.00 0.00 C ATOM 1145 CG2 VAL A 81 15.023 7.047 3.993 1.00 0.00 C ATOM 0 H VAL A 81 14.604 6.546 6.346 1.00 0.00 H new ATOM 0 HA VAL A 81 14.686 9.509 6.368 1.00 0.00 H new ATOM 0 HB VAL A 81 14.903 9.191 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.294 8.551 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.847 9.645 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.023 7.901 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.611 6.947 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.346 6.298 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.968 6.898 3.763 1.00 0.00 H new ATOM 1155 N SER A 82 12.499 9.566 4.671 1.00 0.00 N ATOM 1156 CA SER A 82 11.091 9.660 4.260 1.00 0.00 C ATOM 1157 C SER A 82 10.882 8.983 2.912 1.00 0.00 C ATOM 1158 O SER A 82 11.427 9.426 1.902 1.00 0.00 O ATOM 1159 CB SER A 82 10.685 11.128 4.147 1.00 0.00 C ATOM 1160 OG SER A 82 11.524 11.773 3.198 1.00 0.00 O ATOM 0 H SER A 82 13.106 10.282 4.272 1.00 0.00 H new ATOM 0 HA SER A 82 10.478 9.160 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.642 11.207 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.770 11.617 5.117 1.00 0.00 H new ATOM 0 HG SER A 82 11.763 11.140 2.489 1.00 0.00 H new ATOM 1166 N THR A 83 10.104 7.896 2.898 1.00 0.00 N ATOM 1167 CA THR A 83 9.843 7.154 1.659 1.00 0.00 C ATOM 1168 C THR A 83 8.372 7.211 1.274 1.00 0.00 C ATOM 1169 O THR A 83 7.484 7.206 2.128 1.00 0.00 O ATOM 1170 CB THR A 83 10.235 5.676 1.817 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.220 4.995 2.545 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.566 5.566 2.569 1.00 0.00 C ATOM 0 H THR A 83 9.646 7.512 3.725 1.00 0.00 H new ATOM 0 HA THR A 83 10.443 7.624 0.879 1.00 0.00 H new ATOM 0 HB THR A 83 10.345 5.225 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.918 5.557 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.837 4.516 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.344 6.086 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.465 6.018 3.556 1.00 0.00 H new ATOM 1180 N LYS A 84 8.130 7.268 -0.035 1.00 0.00 N ATOM 1181 CA LYS A 84 6.774 7.331 -0.574 1.00 0.00 C ATOM 1182 C LYS A 84 6.647 6.436 -1.802 1.00 0.00 C ATOM 1183 O LYS A 84 7.625 6.187 -2.508 1.00 0.00 O ATOM 1184 CB LYS A 84 6.431 8.783 -0.946 1.00 0.00 C ATOM 1185 CG LYS A 84 7.508 9.384 -1.904 1.00 0.00 C ATOM 1186 CD LYS A 84 7.009 9.374 -3.368 1.00 0.00 C ATOM 1187 CE LYS A 84 6.125 10.599 -3.631 1.00 0.00 C ATOM 1188 NZ LYS A 84 6.922 11.839 -3.414 1.00 0.00 N ATOM 0 H LYS A 84 8.862 7.272 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 84 6.077 6.979 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.453 8.818 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.365 9.388 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.741 10.405 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.431 8.810 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.859 9.376 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.446 8.461 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.742 10.573 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.261 10.588 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.597 12.579 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.798 12.164 -2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.928 11.640 -3.588 1.00 0.00 H new ATOM 1202 N ILE A 85 5.434 5.951 -2.045 1.00 0.00 N ATOM 1203 CA ILE A 85 5.174 5.078 -3.185 1.00 0.00 C ATOM 1204 C ILE A 85 3.685 5.109 -3.513 1.00 0.00 C ATOM 1205 O ILE A 85 2.843 5.089 -2.615 1.00 0.00 O ATOM 1206 CB ILE A 85 5.640 3.636 -2.872 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.444 2.708 -4.102 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.865 3.090 -1.669 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.505 1.576 -4.090 1.00 0.00 C ATOM 0 H ILE A 85 4.616 6.147 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 85 5.734 5.431 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 85 6.703 3.661 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.442 2.278 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.529 3.287 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.197 2.075 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.047 3.724 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.799 3.083 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.359 0.931 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.503 2.012 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.400 0.988 -3.178 1.00 0.00 H new ATOM 1221 N ASN A 86 3.362 5.172 -4.803 1.00 0.00 N ATOM 1222 CA ASN A 86 1.965 5.230 -5.234 1.00 0.00 C ATOM 1223 C ASN A 86 1.334 3.840 -5.171 1.00 0.00 C ATOM 1224 O ASN A 86 1.740 2.941 -5.900 1.00 0.00 O ATOM 1225 CB ASN A 86 1.897 5.808 -6.671 1.00 0.00 C ATOM 1226 CG ASN A 86 0.697 6.754 -6.818 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.389 6.521 -6.135 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.756 7.718 -7.556 1.00 0.00 N flip ATOM 0 H ASN A 86 4.042 5.184 -5.563 1.00 0.00 H new ATOM 0 HA ASN A 86 1.402 5.882 -4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.819 6.344 -6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.816 4.995 -7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.606 7.900 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.044 8.345 -7.641 1.00 0.00 H new ATOM 1235 N LEU A 87 0.324 3.689 -4.317 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.378 2.417 -4.169 1.00 0.00 C ATOM 1237 C LEU A 87 -1.142 2.074 -5.441 1.00 0.00 C ATOM 1238 O LEU A 87 -1.302 0.906 -5.791 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.354 2.522 -2.997 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.581 2.750 -1.686 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.574 3.077 -0.545 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.253 1.490 -1.324 1.00 0.00 C ATOM 0 H LEU A 87 -0.027 4.434 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 87 0.350 1.628 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.050 3.343 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.948 1.611 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 87 0.101 3.590 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.023 3.238 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.133 3.979 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.266 2.245 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.794 1.667 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.413 0.636 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.964 1.282 -2.124 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.608 3.107 -6.125 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.363 2.931 -7.359 1.00 0.00 C ATOM 1256 C ASP A 88 -1.497 2.318 -8.460 1.00 0.00 C ATOM 1257 O ASP A 88 -2.009 1.850 -9.475 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.892 4.293 -7.820 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.725 5.237 -8.103 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.594 4.785 -8.044 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.985 6.397 -8.378 1.00 0.00 O ATOM 0 H ASP A 88 -1.477 4.080 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.191 2.249 -7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.499 4.172 -8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.538 4.720 -7.053 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.185 2.336 -8.264 1.00 0.00 N ATOM 1267 CA ASP A 89 0.733 1.799 -9.266 1.00 0.00 C ATOM 1268 C ASP A 89 0.410 0.341 -9.618 1.00 0.00 C ATOM 1269 O ASP A 89 0.369 -0.016 -10.796 1.00 0.00 O ATOM 1270 CB ASP A 89 2.182 1.915 -8.760 1.00 0.00 C ATOM 1271 CG ASP A 89 3.157 1.924 -9.943 1.00 0.00 C ATOM 1272 OD1 ASP A 89 2.919 2.678 -10.873 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.125 1.184 -9.896 1.00 0.00 O ATOM 0 H ASP A 89 0.266 2.712 -7.430 1.00 0.00 H new ATOM 0 HA ASP A 89 0.614 2.387 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.299 2.828 -8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.411 1.081 -8.097 1.00 0.00 H new ATOM 1278 N HIS A 90 0.197 -0.503 -8.599 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.102 -1.931 -8.825 1.00 0.00 C ATOM 1280 C HIS A 90 -1.374 -2.362 -8.096 1.00 0.00 C ATOM 1281 O HIS A 90 -2.095 -3.241 -8.569 1.00 0.00 O ATOM 1282 CB HIS A 90 1.065 -2.794 -8.327 1.00 0.00 C ATOM 1283 CG HIS A 90 2.233 -2.688 -9.269 1.00 0.00 C ATOM 1284 ND1 HIS A 90 3.453 -2.073 -9.150 1.00 0.00 N flip ATOM 1285 CD2 HIS A 90 2.229 -3.289 -10.517 1.00 0.00 C flip ATOM 1286 CE1 HIS A 90 4.199 -2.294 -10.305 1.00 0.00 C flip ATOM 1287 NE2 HIS A 90 3.414 -3.030 -11.095 1.00 0.00 N flip ATOM 0 H HIS A 90 0.225 -0.229 -7.617 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.249 -2.069 -9.896 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.364 -2.473 -7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.748 -3.834 -8.245 1.00 0.00 H new ATOM 0 HD1 HIS A 90 3.766 -1.537 -8.341 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.421 -3.862 -10.947 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.199 -1.945 -10.516 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.638 -1.770 -6.938 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.824 -2.142 -6.174 1.00 0.00 C ATOM 1297 C ILE A 91 -4.076 -1.855 -6.994 1.00 0.00 C ATOM 1298 O ILE A 91 -4.272 -0.742 -7.479 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.910 -1.374 -4.832 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.554 -1.431 -4.084 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.022 -1.970 -3.961 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.323 -2.802 -3.422 1.00 0.00 C ATOM 0 H ILE A 91 -1.061 -1.045 -6.513 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.751 -3.207 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.143 -0.330 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.744 -1.224 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.525 -0.651 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.077 -1.425 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.976 -1.890 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.805 -3.019 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.362 -2.801 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.119 -2.998 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.325 -3.580 -4.186 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.915 -2.878 -7.157 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.153 -2.756 -7.933 1.00 0.00 C ATOM 1316 C ALA A 92 -7.338 -3.259 -7.120 1.00 0.00 C ATOM 1317 O ALA A 92 -7.170 -3.949 -6.115 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.042 -3.581 -9.210 1.00 0.00 C ATOM 0 H ALA A 92 -4.760 -3.805 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.306 -1.706 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.964 -3.488 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.205 -3.218 -9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.878 -4.628 -8.954 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.540 -2.933 -7.585 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.768 -3.378 -6.927 1.00 0.00 C ATOM 1326 C ASN A 93 -10.332 -4.562 -7.699 1.00 0.00 C ATOM 1327 O ASN A 93 -10.644 -4.445 -8.884 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.786 -2.241 -6.904 1.00 0.00 C ATOM 1329 CG ASN A 93 -12.021 -2.676 -6.115 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.913 -3.387 -5.135 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.201 -2.274 -6.501 1.00 0.00 N ATOM 0 H ASN A 93 -8.692 -2.361 -8.416 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.552 -3.674 -5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.345 -1.354 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.068 -1.971 -7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.031 -2.556 -5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.293 -1.677 -7.323 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.456 -5.705 -7.024 1.00 0.00 N ATOM 1339 CA ILE A 94 -10.973 -6.927 -7.648 1.00 0.00 C ATOM 1340 C ILE A 94 -12.264 -7.362 -6.965 1.00 0.00 C ATOM 1341 O ILE A 94 -12.240 -7.960 -5.889 1.00 0.00 O ATOM 1342 CB ILE A 94 -9.945 -8.073 -7.513 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.568 -7.600 -8.038 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.429 -9.331 -8.277 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.663 -7.097 -9.487 1.00 0.00 C ATOM 0 H ILE A 94 -10.205 -5.812 -6.041 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.160 -6.715 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.845 -8.342 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.187 -6.803 -7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.854 -8.422 -7.983 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.692 -10.127 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.383 -9.662 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.553 -9.090 -9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.679 -6.772 -9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.020 -7.902 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.358 -6.259 -9.536 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.389 -7.062 -7.601 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.689 -7.430 -7.055 1.00 0.00 C ATOM 1359 C ASP A 95 -14.922 -6.725 -5.713 1.00 0.00 C ATOM 1360 O ASP A 95 -15.644 -7.228 -4.852 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.766 -8.972 -6.896 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.124 -9.503 -7.384 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -17.082 -9.405 -6.637 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.176 -9.994 -8.501 1.00 0.00 O ATOM 0 H ASP A 95 -13.428 -6.567 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.474 -7.110 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.962 -9.441 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.619 -9.242 -5.850 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.309 -5.553 -5.554 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.450 -4.769 -4.334 1.00 0.00 C ATOM 1371 C GLY A 96 -13.435 -5.144 -3.274 1.00 0.00 C ATOM 1372 O GLY A 96 -13.552 -4.731 -2.121 1.00 0.00 O ATOM 0 H GLY A 96 -13.708 -5.127 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.344 -3.711 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.454 -4.906 -3.933 1.00 0.00 H new ATOM 1376 N THR A 97 -12.432 -5.931 -3.663 1.00 0.00 N ATOM 1377 CA THR A 97 -11.380 -6.364 -2.733 1.00 0.00 C ATOM 1378 C THR A 97 -10.034 -5.813 -3.181 1.00 0.00 C ATOM 1379 O THR A 97 -9.786 -5.656 -4.372 1.00 0.00 O ATOM 1380 CB THR A 97 -11.288 -7.901 -2.687 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.824 -8.384 -3.940 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.668 -8.489 -2.391 1.00 0.00 C ATOM 0 H THR A 97 -12.323 -6.283 -4.614 1.00 0.00 H new ATOM 0 HA THR A 97 -11.632 -5.987 -1.742 1.00 0.00 H new ATOM 0 HB THR A 97 -10.593 -8.200 -1.902 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.590 -8.601 -4.511 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.601 -9.576 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.023 -8.119 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.366 -8.192 -3.174 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.164 -5.517 -2.222 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.841 -4.980 -2.542 1.00 0.00 C ATOM 1392 C LEU A 98 -6.863 -6.108 -2.845 1.00 0.00 C ATOM 1393 O LEU A 98 -6.695 -7.031 -2.049 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.311 -4.156 -1.366 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.270 -2.999 -1.046 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.757 -2.267 0.201 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.346 -2.015 -2.236 1.00 0.00 C ATOM 0 H LEU A 98 -9.345 -5.637 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.935 -4.344 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.196 -4.794 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.323 -3.762 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.269 -3.395 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.428 -1.442 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.720 -2.961 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.757 -1.877 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.030 -1.202 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.355 -1.608 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.707 -2.540 -3.120 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.209 -6.016 -4.003 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.228 -7.021 -4.417 1.00 0.00 C ATOM 1411 C LYS A 99 -4.121 -6.360 -5.229 1.00 0.00 C ATOM 1412 O LYS A 99 -4.300 -5.273 -5.778 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.895 -8.115 -5.263 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.770 -9.008 -4.377 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.265 -10.214 -5.188 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.428 -10.889 -4.458 1.00 0.00 C ATOM 1417 NZ LYS A 99 -7.973 -11.346 -3.116 1.00 0.00 N ATOM 0 H LYS A 99 -6.340 -5.257 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.806 -7.477 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.502 -7.660 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.133 -8.717 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.201 -9.348 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.619 -8.440 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.584 -9.891 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.452 -10.926 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.260 -10.192 -4.354 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.793 -11.737 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.681 -11.990 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.065 -11.844 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.855 -10.523 -2.491 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.974 -7.028 -5.291 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.818 -6.518 -6.027 1.00 0.00 C ATOM 1433 C TYR A 100 -1.794 -7.089 -7.443 1.00 0.00 C ATOM 1434 O TYR A 100 -2.029 -8.280 -7.646 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.543 -6.916 -5.277 1.00 0.00 C ATOM 1436 CG TYR A 100 0.685 -6.572 -6.091 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.301 -5.312 -5.943 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.225 -7.521 -6.985 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.460 -5.004 -6.688 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.379 -7.207 -7.735 1.00 0.00 C ATOM 1441 CZ TYR A 100 2.995 -5.947 -7.586 1.00 0.00 C ATOM 1442 OH TYR A 100 4.160 -5.663 -8.267 1.00 0.00 O ATOM 0 H TYR A 100 -2.818 -7.929 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.882 -5.432 -6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.505 -6.402 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.558 -7.985 -5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.887 -4.584 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.755 -8.487 -7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.937 -4.043 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.790 -7.931 -8.423 1.00 0.00 H new ATOM 0 HH TYR A 100 4.394 -6.419 -8.845 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.501 -6.227 -8.419 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.434 -6.638 -9.827 1.00 0.00 C ATOM 1454 C GLU A 101 -0.074 -6.281 -10.417 1.00 0.00 C ATOM 1455 O GLU A 101 -0.013 -6.054 -11.614 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.526 -5.939 -10.634 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.901 -6.270 -10.050 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.243 -7.733 -10.337 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.342 -8.080 -11.503 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -4.400 -8.482 -9.387 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.855 -6.109 -9.645 1.00 0.00 O ATOM 0 H GLU A 101 -1.306 -5.238 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.580 -7.717 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.366 -4.861 -10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.479 -6.255 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.903 -6.090 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.658 -5.617 -10.484 1.00 0.00 H new