USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=27 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 90 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 SER OG : rot 64:sc= 0.434 USER MOD Set 2.2: A 86 ASN : amide:sc= -0.923 K(o=-0.49,f=-3.1!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.705 K(o=-0.34,f=-1.9!) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.177 USER MOD Set 3.3: A 31 THR OG1 : rot -89:sc= 0.184 USER MOD Set 4.1: A 30 ASN : amide:sc= 1.27 X(o=2.2,f=1.9) USER MOD Set 4.2: A 32 SER OG : rot 4:sc= 0.93 USER MOD Set 5.1: A 7 THR OG1 : rot -62:sc= 1.03 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.07 K(o=-1,f=-4.3!) USER MOD Set 6.1: A 5 SER OG : rot -31:sc= 0.0439 USER MOD Set 6.2: A 66 SER OG : rot -102:sc= 0.0531 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.967 K(o=-0.97,f=-2) USER MOD Single : A 9 TYR OH : rot 15:sc= 1.09 USER MOD Single : A 11 SER OG : rot 180:sc= -1.27 USER MOD Single : A 14 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.32) USER MOD Single : A 16 SER OG : rot 65:sc= 1.14 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.4 USER MOD Single : A 20 SER OG : rot -170:sc= -0.944 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 26 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.2) 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= -0.962 F(o=-2.1!,f=-0.96) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 87:sc= -0.0152 USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0173 (180deg=-0.211) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 60 ASN : amide:sc=-0.00875 X(o=-0.0087,f=-0.13) USER MOD Single : A 61 THR OG1 : rot -90:sc= -1.56! USER MOD Single : A 62 GLN : amide:sc= -5.99! C(o=-6!,f=-11!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -96:sc= 1.43 USER MOD Single : A 79 GLN : amide:sc=-0.00519 X(o=-0.0052,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -45:sc= 0.61 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -45:sc= 0.864 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.202) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.970 -1.748 -11.426 1.00 0.00 N ATOM 23 CA GLY A 2 -3.849 -0.856 -10.294 1.00 0.00 C ATOM 24 C GLY A 2 -5.004 0.115 -10.165 1.00 0.00 C ATOM 25 O GLY A 2 -6.171 -0.251 -10.297 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.778 -1.447 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.920 -0.293 -10.382 1.00 0.00 H new ATOM 29 N LYS A 3 -4.649 1.369 -9.938 1.00 0.00 N ATOM 30 CA LYS A 3 -5.627 2.443 -9.816 1.00 0.00 C ATOM 31 C LYS A 3 -6.867 2.016 -9.011 1.00 0.00 C ATOM 32 O LYS A 3 -7.994 2.353 -9.373 1.00 0.00 O ATOM 33 CB LYS A 3 -6.034 2.895 -11.233 1.00 0.00 C ATOM 34 CG LYS A 3 -4.973 3.852 -11.827 1.00 0.00 C ATOM 35 CD LYS A 3 -5.233 5.298 -11.360 1.00 0.00 C ATOM 36 CE LYS A 3 -4.277 6.267 -12.067 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.847 7.641 -12.001 1.00 0.00 N ATOM 0 H LYS A 3 -3.681 1.672 -9.833 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.171 3.267 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.148 2.025 -11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.002 3.395 -11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.976 3.537 -11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.000 3.804 -12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.265 5.576 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.100 5.368 -10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.296 6.243 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.136 5.967 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.206 8.306 -12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.774 7.655 -12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.960 7.922 -11.006 1.00 0.00 H new ATOM 51 N PHE A 4 -6.668 1.296 -7.911 1.00 0.00 N ATOM 52 CA PHE A 4 -7.807 0.880 -7.094 1.00 0.00 C ATOM 53 C PHE A 4 -8.565 2.110 -6.594 1.00 0.00 C ATOM 54 O PHE A 4 -9.787 2.085 -6.457 1.00 0.00 O ATOM 55 CB PHE A 4 -7.352 0.018 -5.898 1.00 0.00 C ATOM 56 CG PHE A 4 -6.656 0.868 -4.852 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.410 1.446 -5.145 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.245 1.072 -3.582 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.747 2.222 -4.184 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.580 1.857 -2.614 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.327 2.433 -2.915 1.00 0.00 C ATOM 0 H PHE A 4 -5.755 0.994 -7.570 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.467 0.274 -7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.214 -0.479 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.677 -0.765 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.961 1.292 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.202 0.628 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.788 2.660 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.030 2.016 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.814 3.033 -2.177 1.00 0.00 H new ATOM 71 N SER A 5 -7.820 3.181 -6.325 1.00 0.00 N ATOM 72 CA SER A 5 -8.407 4.426 -5.834 1.00 0.00 C ATOM 73 C SER A 5 -9.543 4.911 -6.733 1.00 0.00 C ATOM 74 O SER A 5 -10.406 5.669 -6.292 1.00 0.00 O ATOM 75 CB SER A 5 -7.326 5.504 -5.748 1.00 0.00 C ATOM 76 OG SER A 5 -7.775 6.554 -4.902 1.00 0.00 O ATOM 0 H SER A 5 -6.807 3.211 -6.439 1.00 0.00 H new ATOM 0 HA SER A 5 -8.823 4.232 -4.845 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.402 5.078 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.104 5.892 -6.742 1.00 0.00 H new ATOM 0 HG SER A 5 -8.750 6.631 -4.966 1.00 0.00 H new ATOM 82 N GLN A 6 -9.546 4.476 -7.990 1.00 0.00 N ATOM 83 CA GLN A 6 -10.592 4.891 -8.919 1.00 0.00 C ATOM 84 C GLN A 6 -11.941 4.327 -8.487 1.00 0.00 C ATOM 85 O GLN A 6 -12.982 4.942 -8.716 1.00 0.00 O ATOM 86 CB GLN A 6 -10.257 4.410 -10.339 1.00 0.00 C ATOM 87 CG GLN A 6 -9.138 5.274 -10.929 1.00 0.00 C ATOM 88 CD GLN A 6 -8.838 4.817 -12.358 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.113 3.690 -12.719 1.00 0.00 O ATOM 90 NE2 GLN A 6 -8.276 5.650 -13.189 1.00 0.00 N ATOM 0 H GLN A 6 -8.847 3.846 -8.384 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.648 5.980 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.948 3.365 -10.315 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.144 4.466 -10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.434 6.323 -10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.241 5.195 -10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.045 6.596 -12.885 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.067 5.356 -14.143 1.00 0.00 H new ATOM 99 N THR A 7 -11.917 3.150 -7.862 1.00 0.00 N ATOM 100 CA THR A 7 -13.144 2.495 -7.395 1.00 0.00 C ATOM 101 C THR A 7 -12.987 2.063 -5.939 1.00 0.00 C ATOM 102 O THR A 7 -13.594 1.088 -5.495 1.00 0.00 O ATOM 103 CB THR A 7 -13.462 1.263 -8.263 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.442 0.460 -7.619 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.190 0.449 -8.473 1.00 0.00 C ATOM 0 H THR A 7 -11.062 2.629 -7.666 1.00 0.00 H new ATOM 0 HA THR A 7 -13.965 3.208 -7.475 1.00 0.00 H new ATOM 0 HB THR A 7 -13.848 1.591 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.087 0.131 -6.767 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.414 -0.423 -9.087 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.443 1.064 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.803 0.123 -7.508 1.00 0.00 H new ATOM 113 N CYS A 8 -12.176 2.818 -5.191 1.00 0.00 N ATOM 114 CA CYS A 8 -11.944 2.536 -3.769 1.00 0.00 C ATOM 115 C CYS A 8 -11.977 3.827 -2.965 1.00 0.00 C ATOM 116 O CYS A 8 -11.459 4.856 -3.397 1.00 0.00 O ATOM 117 CB CYS A 8 -10.607 1.816 -3.566 1.00 0.00 C ATOM 118 SG CYS A 8 -10.760 0.107 -4.141 1.00 0.00 S ATOM 0 H CYS A 8 -11.669 3.629 -5.546 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.740 1.880 -3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.817 2.328 -4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.326 1.835 -2.513 1.00 0.00 H new ATOM 123 N TYR A 9 -12.604 3.761 -1.791 1.00 0.00 N ATOM 124 CA TYR A 9 -12.726 4.924 -0.910 1.00 0.00 C ATOM 125 C TYR A 9 -12.557 4.508 0.547 1.00 0.00 C ATOM 126 O TYR A 9 -12.574 3.320 0.868 1.00 0.00 O ATOM 127 CB TYR A 9 -14.095 5.584 -1.109 1.00 0.00 C ATOM 128 CG TYR A 9 -15.200 4.611 -0.749 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.622 3.642 -1.686 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.814 4.675 0.520 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.656 2.739 -1.352 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.848 3.774 0.854 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.269 2.805 -0.081 1.00 0.00 C ATOM 134 OH TYR A 9 -18.342 1.988 0.211 1.00 0.00 O ATOM 0 H TYR A 9 -13.037 2.912 -1.426 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.942 5.638 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.170 6.477 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.206 5.905 -2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.154 3.591 -2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.492 5.415 1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.978 1.998 -2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.317 3.826 1.825 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.401 1.274 -0.457 1.00 0.00 H new ATOM 144 N ASN A 10 -12.374 5.497 1.419 1.00 0.00 N ATOM 145 CA ASN A 10 -12.181 5.237 2.843 1.00 0.00 C ATOM 146 C ASN A 10 -10.956 4.359 3.056 1.00 0.00 C ATOM 147 O ASN A 10 -10.989 3.407 3.837 1.00 0.00 O ATOM 148 CB ASN A 10 -13.417 4.556 3.439 1.00 0.00 C ATOM 149 CG ASN A 10 -13.244 4.417 4.952 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.489 5.150 5.559 1.00 0.00 O ATOM 151 ND2 ASN A 10 -13.918 3.501 5.591 1.00 0.00 N ATOM 0 H ASN A 10 -12.355 6.485 1.165 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.029 6.191 3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.310 5.140 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.558 3.574 2.987 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.811 3.400 6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.552 2.886 5.081 1.00 0.00 H new ATOM 158 N SER A 11 -9.873 4.686 2.353 1.00 0.00 N ATOM 159 CA SER A 11 -8.636 3.922 2.469 1.00 0.00 C ATOM 160 C SER A 11 -7.888 4.305 3.742 1.00 0.00 C ATOM 161 O SER A 11 -7.952 5.447 4.196 1.00 0.00 O ATOM 162 CB SER A 11 -7.752 4.160 1.232 1.00 0.00 C ATOM 163 OG SER A 11 -7.841 5.523 0.849 1.00 0.00 O ATOM 0 H SER A 11 -9.828 5.470 1.702 1.00 0.00 H new ATOM 0 HA SER A 11 -8.883 2.862 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.717 3.899 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.073 3.518 0.412 1.00 0.00 H new ATOM 0 HG SER A 11 -7.278 5.679 0.062 1.00 0.00 H new ATOM 169 N ALA A 12 -7.185 3.331 4.317 1.00 0.00 N ATOM 170 CA ALA A 12 -6.425 3.554 5.545 1.00 0.00 C ATOM 171 C ALA A 12 -5.223 2.622 5.594 1.00 0.00 C ATOM 172 O ALA A 12 -5.260 1.512 5.065 1.00 0.00 O ATOM 173 CB ALA A 12 -7.315 3.310 6.753 1.00 0.00 C ATOM 0 H ALA A 12 -7.126 2.380 3.952 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.073 4.586 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.743 3.478 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.163 3.995 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.678 2.282 6.736 1.00 0.00 H new ATOM 179 N ILE A 13 -4.148 3.090 6.228 1.00 0.00 N ATOM 180 CA ILE A 13 -2.917 2.305 6.349 1.00 0.00 C ATOM 181 C ILE A 13 -2.351 2.459 7.750 1.00 0.00 C ATOM 182 O ILE A 13 -2.318 3.563 8.295 1.00 0.00 O ATOM 183 CB ILE A 13 -1.851 2.763 5.331 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.461 2.758 3.924 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.647 1.809 5.369 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.528 3.450 2.926 1.00 0.00 C ATOM 0 H ILE A 13 -4.104 4.010 6.667 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.166 1.263 6.148 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.518 3.769 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.645 1.732 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.426 3.265 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.101 2.138 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.213 1.811 6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.974 0.800 5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.980 3.435 1.934 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.366 4.483 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.573 2.926 2.897 1.00 0.00 H new ATOM 198 N GLN A 14 -1.901 1.351 8.336 1.00 0.00 N ATOM 199 CA GLN A 14 -1.340 1.401 9.681 1.00 0.00 C ATOM 200 C GLN A 14 -0.393 0.234 9.935 1.00 0.00 C ATOM 201 O GLN A 14 -0.785 -0.820 10.435 1.00 0.00 O ATOM 202 CB GLN A 14 -2.474 1.406 10.717 1.00 0.00 C ATOM 203 CG GLN A 14 -1.957 1.906 12.071 1.00 0.00 C ATOM 204 CD GLN A 14 -1.538 3.376 11.956 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.371 4.257 11.889 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.268 3.674 11.912 1.00 0.00 N ATOM 0 H GLN A 14 -1.913 0.425 7.909 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.761 2.320 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.287 2.045 10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.882 0.401 10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.732 1.798 12.829 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.110 1.301 12.393 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.432 2.934 11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.025 4.647 11.821 1.00 0.00 H new ATOM 215 N GLY A 15 0.862 0.453 9.568 1.00 0.00 N ATOM 216 CA GLY A 15 1.914 -0.543 9.730 1.00 0.00 C ATOM 217 C GLY A 15 2.342 -1.128 8.403 1.00 0.00 C ATOM 218 O GLY A 15 3.416 -0.829 7.905 1.00 0.00 O ATOM 0 H GLY A 15 1.181 1.327 9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.774 -0.087 10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.561 -1.342 10.383 1.00 0.00 H new ATOM 222 N SER A 16 1.499 -1.966 7.827 1.00 0.00 N ATOM 223 CA SER A 16 1.817 -2.587 6.547 1.00 0.00 C ATOM 224 C SER A 16 0.564 -3.212 5.968 1.00 0.00 C ATOM 225 O SER A 16 0.622 -4.188 5.225 1.00 0.00 O ATOM 226 CB SER A 16 2.897 -3.657 6.752 1.00 0.00 C ATOM 227 OG SER A 16 2.291 -4.937 6.875 1.00 0.00 O ATOM 0 H SER A 16 0.596 -2.233 8.218 1.00 0.00 H new ATOM 0 HA SER A 16 2.192 -1.834 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.590 -3.652 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.479 -3.433 7.646 1.00 0.00 H new ATOM 0 HG SER A 16 1.846 -5.170 6.034 1.00 0.00 H new ATOM 233 N VAL A 17 -0.571 -2.637 6.344 1.00 0.00 N ATOM 234 CA VAL A 17 -1.872 -3.125 5.895 1.00 0.00 C ATOM 235 C VAL A 17 -2.704 -2.006 5.308 1.00 0.00 C ATOM 236 O VAL A 17 -3.022 -1.037 5.987 1.00 0.00 O ATOM 237 CB VAL A 17 -2.652 -3.743 7.067 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.914 -4.427 6.538 1.00 0.00 C ATOM 239 CG2 VAL A 17 -1.769 -4.773 7.775 1.00 0.00 C ATOM 0 H VAL A 17 -0.618 -1.827 6.962 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.685 -3.879 5.130 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.935 -2.960 7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.466 -4.865 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.541 -3.693 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.635 -5.212 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.319 -5.213 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.487 -5.556 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.871 -4.284 8.152 1.00 0.00 H new ATOM 249 N LEU A 18 -3.112 -2.184 4.058 1.00 0.00 N ATOM 250 CA LEU A 18 -3.976 -1.223 3.390 1.00 0.00 C ATOM 251 C LEU A 18 -5.391 -1.714 3.602 1.00 0.00 C ATOM 252 O LEU A 18 -5.652 -2.898 3.437 1.00 0.00 O ATOM 253 CB LEU A 18 -3.631 -1.173 1.891 1.00 0.00 C ATOM 254 CG LEU A 18 -4.579 -0.233 1.115 1.00 0.00 C ATOM 255 CD1 LEU A 18 -4.291 1.235 1.455 1.00 0.00 C ATOM 256 CD2 LEU A 18 -4.361 -0.449 -0.384 1.00 0.00 C ATOM 0 H LEU A 18 -2.857 -2.989 3.486 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.852 -0.215 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.602 -0.836 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.690 -2.177 1.471 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.608 -0.459 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.971 1.878 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.435 1.396 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.262 1.475 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.024 0.208 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.325 -0.223 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.578 -1.487 -0.637 1.00 0.00 H new ATOM 268 N THR A 19 -6.310 -0.826 3.951 1.00 0.00 N ATOM 269 CA THR A 19 -7.701 -1.211 4.168 1.00 0.00 C ATOM 270 C THR A 19 -8.565 -0.140 3.544 1.00 0.00 C ATOM 271 O THR A 19 -8.413 1.035 3.865 1.00 0.00 O ATOM 272 CB THR A 19 -8.026 -1.300 5.675 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.256 -2.338 6.265 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.515 -1.597 5.870 1.00 0.00 C ATOM 0 H THR A 19 -6.120 0.166 4.091 1.00 0.00 H new ATOM 0 HA THR A 19 -7.884 -2.190 3.725 1.00 0.00 H new ATOM 0 HB THR A 19 -7.784 -0.349 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.461 -2.394 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.737 -1.658 6.935 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.107 -0.799 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.762 -2.545 5.392 1.00 0.00 H new ATOM 282 N SER A 20 -9.456 -0.529 2.639 1.00 0.00 N ATOM 283 CA SER A 20 -10.307 0.448 1.971 1.00 0.00 C ATOM 284 C SER A 20 -11.587 -0.194 1.466 1.00 0.00 C ATOM 285 O SER A 20 -11.582 -1.326 0.982 1.00 0.00 O ATOM 286 CB SER A 20 -9.551 1.055 0.782 1.00 0.00 C ATOM 287 OG SER A 20 -9.736 0.234 -0.362 1.00 0.00 O ATOM 0 H SER A 20 -9.607 -1.497 2.355 1.00 0.00 H new ATOM 0 HA SER A 20 -10.567 1.223 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.914 2.063 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.490 1.139 1.016 1.00 0.00 H new ATOM 0 HG SER A 20 -9.133 0.527 -1.076 1.00 0.00 H new ATOM 293 N THR A 21 -12.677 0.557 1.559 1.00 0.00 N ATOM 294 CA THR A 21 -13.969 0.086 1.082 1.00 0.00 C ATOM 295 C THR A 21 -14.063 0.346 -0.410 1.00 0.00 C ATOM 296 O THR A 21 -13.902 1.480 -0.857 1.00 0.00 O ATOM 297 CB THR A 21 -15.118 0.808 1.808 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.873 0.780 3.209 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.442 0.104 1.508 1.00 0.00 C ATOM 0 H THR A 21 -12.691 1.495 1.960 1.00 0.00 H new ATOM 0 HA THR A 21 -14.057 -0.981 1.285 1.00 0.00 H new ATOM 0 HB THR A 21 -15.176 1.840 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.601 1.240 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.253 0.618 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.627 0.120 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.391 -0.929 1.852 1.00 0.00 H new ATOM 307 N CYS A 22 -14.314 -0.713 -1.182 1.00 0.00 N ATOM 308 CA CYS A 22 -14.412 -0.598 -2.640 1.00 0.00 C ATOM 309 C CYS A 22 -15.749 -1.119 -3.135 1.00 0.00 C ATOM 310 O CYS A 22 -16.393 -1.939 -2.484 1.00 0.00 O ATOM 311 CB CYS A 22 -13.268 -1.380 -3.293 1.00 0.00 C ATOM 312 SG CYS A 22 -11.682 -0.834 -2.609 1.00 0.00 S ATOM 0 H CYS A 22 -14.453 -1.658 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.336 0.454 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.400 -2.448 -3.120 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.281 -1.228 -4.372 1.00 0.00 H new ATOM 317 N GLU A 23 -16.165 -0.613 -4.291 1.00 0.00 N ATOM 318 CA GLU A 23 -17.437 -1.006 -4.880 1.00 0.00 C ATOM 319 C GLU A 23 -17.363 -2.414 -5.462 1.00 0.00 C ATOM 320 O GLU A 23 -16.575 -2.683 -6.368 1.00 0.00 O ATOM 321 CB GLU A 23 -17.826 -0.009 -5.979 1.00 0.00 C ATOM 322 CG GLU A 23 -17.531 1.418 -5.505 1.00 0.00 C ATOM 323 CD GLU A 23 -18.172 2.423 -6.466 1.00 0.00 C ATOM 324 OE1 GLU A 23 -17.636 2.602 -7.547 1.00 0.00 O ATOM 325 OE2 GLU A 23 -19.187 2.997 -6.105 1.00 0.00 O ATOM 0 H GLU A 23 -15.639 0.069 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.194 -1.002 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.269 -0.222 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.884 -0.112 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.920 1.565 -4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.454 1.581 -5.458 1.00 0.00 H new ATOM 332 N ARG A 24 -18.206 -3.301 -4.945 1.00 0.00 N ATOM 333 CA ARG A 24 -18.251 -4.675 -5.431 1.00 0.00 C ATOM 334 C ARG A 24 -18.763 -4.704 -6.858 1.00 0.00 C ATOM 335 O ARG A 24 -19.400 -3.757 -7.318 1.00 0.00 O ATOM 336 CB ARG A 24 -19.172 -5.535 -4.557 1.00 0.00 C ATOM 337 CG ARG A 24 -18.639 -5.617 -3.109 1.00 0.00 C ATOM 338 CD ARG A 24 -19.186 -6.878 -2.395 1.00 0.00 C ATOM 339 NE ARG A 24 -18.147 -7.948 -2.441 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.279 -9.024 -1.713 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.360 -9.206 -1.007 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.327 -9.917 -1.690 1.00 0.00 N ATOM 0 H ARG A 24 -18.864 -3.095 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.240 -5.079 -5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.177 -5.113 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.248 -6.537 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.549 -5.642 -3.118 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.933 -4.724 -2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.442 -6.645 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.100 -7.219 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.331 -7.839 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.103 -8.508 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.462 -10.047 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.480 -9.774 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.430 -10.758 -1.121 1.00 0.00 H new ATOM 356 N THR A 25 -18.493 -5.803 -7.557 1.00 0.00 N ATOM 357 CA THR A 25 -18.942 -5.963 -8.936 1.00 0.00 C ATOM 358 C THR A 25 -20.246 -6.750 -8.960 1.00 0.00 C ATOM 359 O THR A 25 -21.069 -6.587 -9.860 1.00 0.00 O ATOM 360 CB THR A 25 -17.887 -6.720 -9.763 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.655 -6.016 -9.706 1.00 0.00 O ATOM 362 CG2 THR A 25 -18.350 -6.821 -11.216 1.00 0.00 C ATOM 0 H THR A 25 -17.966 -6.596 -7.191 1.00 0.00 H new ATOM 0 HA THR A 25 -19.093 -4.974 -9.368 1.00 0.00 H new ATOM 0 HB THR A 25 -17.756 -7.723 -9.357 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.980 -6.495 -10.230 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.602 -7.357 -11.800 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.297 -7.358 -11.259 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.481 -5.820 -11.626 1.00 0.00 H new ATOM 370 N ASN A 26 -20.430 -7.603 -7.948 1.00 0.00 N ATOM 371 CA ASN A 26 -21.643 -8.422 -7.830 1.00 0.00 C ATOM 372 C ASN A 26 -22.548 -7.829 -6.742 1.00 0.00 C ATOM 373 O ASN A 26 -23.697 -7.475 -6.998 1.00 0.00 O ATOM 374 CB ASN A 26 -21.243 -9.888 -7.489 1.00 0.00 C ATOM 375 CG ASN A 26 -21.946 -10.887 -8.424 1.00 0.00 C ATOM 376 OD1 ASN A 26 -23.008 -10.611 -8.946 1.00 0.00 O ATOM 377 ND2 ASN A 26 -21.389 -12.044 -8.656 1.00 0.00 N ATOM 0 H ASN A 26 -19.754 -7.745 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.191 -8.425 -8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.163 -10.003 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -21.505 -10.108 -6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -21.845 -12.715 -9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.498 -12.278 -8.219 1.00 0.00 H new ATOM 384 N GLY A 27 -22.015 -7.742 -5.525 1.00 0.00 N ATOM 385 CA GLY A 27 -22.769 -7.203 -4.399 1.00 0.00 C ATOM 386 C GLY A 27 -22.754 -5.682 -4.365 1.00 0.00 C ATOM 387 O GLY A 27 -22.851 -5.025 -5.401 1.00 0.00 O ATOM 0 H GLY A 27 -21.066 -8.037 -5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.800 -7.552 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.352 -7.589 -3.468 1.00 0.00 H new ATOM 391 N GLY A 28 -22.651 -5.128 -3.154 1.00 0.00 N ATOM 392 CA GLY A 28 -22.635 -3.677 -2.955 1.00 0.00 C ATOM 393 C GLY A 28 -21.240 -3.163 -2.659 1.00 0.00 C ATOM 394 O GLY A 28 -20.446 -2.946 -3.571 1.00 0.00 O ATOM 0 H GLY A 28 -22.577 -5.667 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.022 -3.184 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.300 -3.416 -2.132 1.00 0.00 H new ATOM 398 N TYR A 29 -20.946 -2.947 -1.373 1.00 0.00 N ATOM 399 CA TYR A 29 -19.635 -2.443 -0.945 1.00 0.00 C ATOM 400 C TYR A 29 -18.900 -3.505 -0.129 1.00 0.00 C ATOM 401 O TYR A 29 -19.504 -4.195 0.693 1.00 0.00 O ATOM 402 CB TYR A 29 -19.824 -1.192 -0.081 1.00 0.00 C ATOM 403 CG TYR A 29 -20.517 -0.112 -0.885 1.00 0.00 C ATOM 404 CD1 TYR A 29 -19.791 0.621 -1.848 1.00 0.00 C ATOM 405 CD2 TYR A 29 -21.886 0.170 -0.670 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.431 1.633 -2.597 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.524 1.183 -1.418 1.00 0.00 C ATOM 408 CZ TYR A 29 -21.796 1.914 -2.382 1.00 0.00 C ATOM 409 OH TYR A 29 -22.389 2.975 -3.035 1.00 0.00 O ATOM 0 H TYR A 29 -21.599 -3.114 -0.608 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.048 -2.199 -1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.414 -1.435 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.857 -0.832 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.745 0.408 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.443 -0.390 0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -19.875 2.192 -3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.569 1.399 -1.253 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.333 3.031 -2.778 1.00 0.00 H new ATOM 419 N ASN A 30 -17.589 -3.630 -0.358 1.00 0.00 N ATOM 420 CA ASN A 30 -16.759 -4.610 0.361 1.00 0.00 C ATOM 421 C ASN A 30 -15.541 -3.923 0.972 1.00 0.00 C ATOM 422 O ASN A 30 -14.839 -3.170 0.297 1.00 0.00 O ATOM 423 CB ASN A 30 -16.298 -5.710 -0.607 1.00 0.00 C ATOM 424 CG ASN A 30 -15.243 -6.602 0.056 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.567 -7.610 0.653 1.00 0.00 O ATOM 426 ND2 ASN A 30 -13.985 -6.267 -0.025 1.00 0.00 N ATOM 0 H ASN A 30 -17.077 -3.066 -1.036 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.353 -5.055 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.152 -6.314 -0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.886 -5.259 -1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.272 -6.851 0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.714 -5.421 -0.526 1.00 0.00 H new ATOM 433 N THR A 31 -15.292 -4.202 2.254 1.00 0.00 N ATOM 434 CA THR A 31 -14.148 -3.623 2.966 1.00 0.00 C ATOM 435 C THR A 31 -13.118 -4.694 3.278 1.00 0.00 C ATOM 436 O THR A 31 -13.176 -5.349 4.318 1.00 0.00 O ATOM 437 CB THR A 31 -14.594 -2.958 4.284 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.724 -2.133 4.035 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.452 -2.104 4.843 1.00 0.00 C ATOM 0 H THR A 31 -15.867 -4.825 2.821 1.00 0.00 H new ATOM 0 HA THR A 31 -13.706 -2.867 2.317 1.00 0.00 H new ATOM 0 HB THR A 31 -14.855 -3.729 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.424 -1.231 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.770 -1.635 5.774 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.584 -2.736 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.188 -1.332 4.120 1.00 0.00 H new ATOM 447 N SER A 32 -12.165 -4.858 2.363 1.00 0.00 N ATOM 448 CA SER A 32 -11.095 -5.841 2.525 1.00 0.00 C ATOM 449 C SER A 32 -9.799 -5.128 2.883 1.00 0.00 C ATOM 450 O SER A 32 -9.759 -3.902 2.989 1.00 0.00 O ATOM 451 CB SER A 32 -10.913 -6.632 1.221 1.00 0.00 C ATOM 452 OG SER A 32 -11.880 -7.671 1.170 1.00 0.00 O ATOM 0 H SER A 32 -12.112 -4.320 1.498 1.00 0.00 H new ATOM 0 HA SER A 32 -11.358 -6.532 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.025 -5.971 0.361 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.908 -7.051 1.172 1.00 0.00 H new ATOM 0 HG SER A 32 -12.475 -7.602 1.946 1.00 0.00 H new ATOM 458 N SER A 33 -8.739 -5.905 3.059 1.00 0.00 N ATOM 459 CA SER A 33 -7.436 -5.347 3.396 1.00 0.00 C ATOM 460 C SER A 33 -6.332 -6.239 2.847 1.00 0.00 C ATOM 461 O SER A 33 -6.494 -7.455 2.760 1.00 0.00 O ATOM 462 CB SER A 33 -7.298 -5.218 4.915 1.00 0.00 C ATOM 463 OG SER A 33 -7.720 -6.427 5.531 1.00 0.00 O ATOM 0 H SER A 33 -8.755 -6.921 2.974 1.00 0.00 H new ATOM 0 HA SER A 33 -7.348 -4.357 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.263 -5.004 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.899 -4.384 5.276 1.00 0.00 H new ATOM 0 HG SER A 33 -7.631 -6.347 6.504 1.00 0.00 H new ATOM 469 N ILE A 34 -5.212 -5.625 2.465 1.00 0.00 N ATOM 470 CA ILE A 34 -4.080 -6.371 1.908 1.00 0.00 C ATOM 471 C ILE A 34 -2.775 -5.906 2.542 1.00 0.00 C ATOM 472 O ILE A 34 -2.536 -4.710 2.710 1.00 0.00 O ATOM 473 CB ILE A 34 -4.029 -6.196 0.365 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.915 -7.101 -0.269 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.854 -4.710 0.000 1.00 0.00 C ATOM 476 CD1 ILE A 34 -1.582 -6.358 -0.480 1.00 0.00 C ATOM 0 H ILE A 34 -5.063 -4.618 2.530 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.214 -7.429 2.133 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.978 -6.527 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.745 -7.964 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.267 -7.483 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.820 -4.603 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.693 -4.137 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.925 -4.337 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.853 -7.037 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.739 -5.511 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.210 -5.999 0.480 1.00 0.00 H new ATOM 488 N ASP A 35 -1.936 -6.873 2.902 1.00 0.00 N ATOM 489 CA ASP A 35 -0.655 -6.571 3.524 1.00 0.00 C ATOM 490 C ASP A 35 0.316 -6.039 2.482 1.00 0.00 C ATOM 491 O ASP A 35 0.693 -6.753 1.553 1.00 0.00 O ATOM 492 CB ASP A 35 -0.082 -7.831 4.177 1.00 0.00 C ATOM 493 CG ASP A 35 -1.188 -8.536 4.963 1.00 0.00 C ATOM 494 OD1 ASP A 35 -2.075 -9.086 4.331 1.00 0.00 O ATOM 495 OD2 ASP A 35 -1.131 -8.513 6.182 1.00 0.00 O ATOM 0 H ASP A 35 -2.121 -7.868 2.774 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.804 -5.810 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.322 -8.498 3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.742 -7.569 4.841 1.00 0.00 H new ATOM 500 N LEU A 36 0.738 -4.795 2.649 1.00 0.00 N ATOM 501 CA LEU A 36 1.682 -4.200 1.722 1.00 0.00 C ATOM 502 C LEU A 36 3.042 -4.839 1.928 1.00 0.00 C ATOM 503 O LEU A 36 3.959 -4.649 1.136 1.00 0.00 O ATOM 504 CB LEU A 36 1.800 -2.695 1.991 1.00 0.00 C ATOM 505 CG LEU A 36 0.431 -1.998 1.832 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.447 -0.668 2.596 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.144 -1.716 0.348 1.00 0.00 C ATOM 0 H LEU A 36 0.444 -4.184 3.411 1.00 0.00 H new ATOM 0 HA LEU A 36 1.335 -4.361 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.182 -2.530 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.520 -2.254 1.302 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.345 -2.652 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.518 -0.173 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.639 -0.857 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.231 -0.027 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.824 -1.225 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.922 -1.068 -0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.131 -2.655 -0.205 1.00 0.00 H new ATOM 519 N ASN A 37 3.153 -5.604 3.006 1.00 0.00 N ATOM 520 CA ASN A 37 4.401 -6.269 3.333 1.00 0.00 C ATOM 521 C ASN A 37 4.713 -7.389 2.357 1.00 0.00 C ATOM 522 O ASN A 37 5.866 -7.790 2.231 1.00 0.00 O ATOM 523 CB ASN A 37 4.349 -6.832 4.756 1.00 0.00 C ATOM 524 CG ASN A 37 5.648 -7.590 5.055 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.761 -6.926 5.198 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.649 -8.801 5.147 1.00 0.00 N flip ATOM 0 H ASN A 37 2.394 -5.777 3.665 1.00 0.00 H new ATOM 0 HA ASN A 37 5.193 -5.524 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.214 -6.023 5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.494 -7.499 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.779 -9.322 5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.520 -9.297 5.336 1.00 0.00 H new ATOM 533 N SER A 38 3.703 -7.928 1.686 1.00 0.00 N ATOM 534 CA SER A 38 3.927 -9.029 0.757 1.00 0.00 C ATOM 535 C SER A 38 4.275 -8.524 -0.643 1.00 0.00 C ATOM 536 O SER A 38 4.469 -9.324 -1.557 1.00 0.00 O ATOM 537 CB SER A 38 2.649 -9.883 0.692 1.00 0.00 C ATOM 538 OG SER A 38 2.038 -9.903 1.976 1.00 0.00 O ATOM 0 H SER A 38 2.732 -7.626 1.765 1.00 0.00 H new ATOM 0 HA SER A 38 4.770 -9.620 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.960 -9.473 -0.046 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.890 -10.897 0.374 1.00 0.00 H new ATOM 0 HG SER A 38 1.222 -10.444 1.941 1.00 0.00 H new ATOM 544 N VAL A 39 4.335 -7.200 -0.826 1.00 0.00 N ATOM 545 CA VAL A 39 4.638 -6.637 -2.150 1.00 0.00 C ATOM 546 C VAL A 39 5.499 -5.371 -2.049 1.00 0.00 C ATOM 547 O VAL A 39 5.668 -4.656 -3.032 1.00 0.00 O ATOM 548 CB VAL A 39 3.328 -6.302 -2.906 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.654 -7.595 -3.383 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.371 -5.557 -1.970 1.00 0.00 C ATOM 0 H VAL A 39 4.182 -6.509 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 39 5.201 -7.392 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 39 3.566 -5.677 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.734 -7.351 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.327 -8.131 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.421 -8.223 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.450 -5.322 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.142 -6.185 -1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.840 -4.633 -1.631 1.00 0.00 H new ATOM 560 N ILE A 40 6.051 -5.106 -0.860 1.00 0.00 N ATOM 561 CA ILE A 40 6.912 -3.921 -0.654 1.00 0.00 C ATOM 562 C ILE A 40 8.168 -4.299 0.142 1.00 0.00 C ATOM 563 O ILE A 40 8.088 -5.000 1.144 1.00 0.00 O ATOM 564 CB ILE A 40 6.154 -2.787 0.092 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.984 -2.249 -0.778 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.117 -1.646 0.453 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.458 -1.216 -1.816 1.00 0.00 C ATOM 0 H ILE A 40 5.923 -5.685 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 40 7.200 -3.556 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 40 5.740 -3.198 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.502 -3.082 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.233 -1.794 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.571 -0.860 0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.908 -2.028 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.557 -1.239 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.605 -0.869 -2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.916 -0.370 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.189 -1.677 -2.480 1.00 0.00 H new ATOM 579 N ALA A 41 9.330 -3.816 -0.326 1.00 0.00 N ATOM 580 CA ALA A 41 10.625 -4.092 0.326 1.00 0.00 C ATOM 581 C ALA A 41 11.339 -2.784 0.693 1.00 0.00 C ATOM 582 O ALA A 41 11.141 -1.759 0.045 1.00 0.00 O ATOM 583 CB ALA A 41 11.501 -4.901 -0.627 1.00 0.00 C ATOM 0 H ALA A 41 9.401 -3.229 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 41 10.446 -4.656 1.242 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.460 -5.109 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.004 -5.841 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.665 -4.332 -1.542 1.00 0.00 H new ATOM 589 N ALA A 42 12.169 -2.829 1.746 1.00 0.00 N ATOM 590 CA ALA A 42 12.917 -1.641 2.201 1.00 0.00 C ATOM 591 C ALA A 42 14.394 -1.748 1.828 1.00 0.00 C ATOM 592 O ALA A 42 15.110 -2.606 2.344 1.00 0.00 O ATOM 593 CB ALA A 42 12.805 -1.497 3.714 1.00 0.00 C ATOM 0 H ALA A 42 12.341 -3.669 2.298 1.00 0.00 H new ATOM 0 HA ALA A 42 12.485 -0.769 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.361 -0.617 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.757 -1.387 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.217 -2.384 4.195 1.00 0.00 H new ATOM 599 N VAL A 43 14.843 -0.876 0.920 1.00 0.00 N ATOM 600 CA VAL A 43 16.243 -0.877 0.470 1.00 0.00 C ATOM 601 C VAL A 43 16.880 0.504 0.629 1.00 0.00 C ATOM 602 O VAL A 43 16.580 1.425 -0.128 1.00 0.00 O ATOM 603 CB VAL A 43 16.331 -1.282 -1.011 1.00 0.00 C ATOM 604 CG1 VAL A 43 17.798 -1.345 -1.442 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.689 -2.658 -1.193 1.00 0.00 C ATOM 0 H VAL A 43 14.261 -0.162 0.482 1.00 0.00 H new ATOM 0 HA VAL A 43 16.779 -1.595 1.090 1.00 0.00 H new ATOM 0 HB VAL A 43 15.808 -0.546 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.857 -1.632 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.259 -0.367 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.324 -2.081 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 43 15.748 -2.951 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.217 -3.390 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.644 -2.615 -0.886 1.00 0.00 H new ATOM 615 N ASP A 44 17.746 0.633 1.634 1.00 0.00 N ATOM 616 CA ASP A 44 18.433 1.894 1.920 1.00 0.00 C ATOM 617 C ASP A 44 17.442 3.044 2.070 1.00 0.00 C ATOM 618 O ASP A 44 17.723 4.179 1.689 1.00 0.00 O ATOM 619 CB ASP A 44 19.480 2.212 0.832 1.00 0.00 C ATOM 620 CG ASP A 44 18.817 2.762 -0.436 1.00 0.00 C ATOM 621 OD1 ASP A 44 18.592 3.959 -0.496 1.00 0.00 O ATOM 622 OD2 ASP A 44 18.560 1.978 -1.332 1.00 0.00 O ATOM 0 H ASP A 44 17.990 -0.127 2.269 1.00 0.00 H new ATOM 0 HA ASP A 44 18.955 1.777 2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 44 20.196 2.939 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.041 1.309 0.589 1.00 0.00 H new ATOM 627 N GLY A 45 16.287 2.747 2.651 1.00 0.00 N ATOM 628 CA GLY A 45 15.274 3.760 2.866 1.00 0.00 C ATOM 629 C GLY A 45 14.482 4.055 1.609 1.00 0.00 C ATOM 630 O GLY A 45 14.196 5.212 1.306 1.00 0.00 O ATOM 0 H GLY A 45 16.033 1.815 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.595 3.431 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.748 4.676 3.218 1.00 0.00 H new ATOM 634 N SER A 46 14.119 3.004 0.874 1.00 0.00 N ATOM 635 CA SER A 46 13.349 3.164 -0.364 1.00 0.00 C ATOM 636 C SER A 46 12.358 2.018 -0.532 1.00 0.00 C ATOM 637 O SER A 46 12.753 0.854 -0.602 1.00 0.00 O ATOM 638 CB SER A 46 14.296 3.187 -1.565 1.00 0.00 C ATOM 639 OG SER A 46 15.359 4.094 -1.310 1.00 0.00 O ATOM 0 H SER A 46 14.343 2.037 1.111 1.00 0.00 H new ATOM 0 HA SER A 46 12.800 4.104 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.692 2.188 -1.749 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.755 3.486 -2.463 1.00 0.00 H new ATOM 0 HG SER A 46 16.074 3.632 -0.825 1.00 0.00 H new ATOM 645 N LEU A 47 11.067 2.348 -0.597 1.00 0.00 N ATOM 646 CA LEU A 47 10.031 1.331 -0.764 1.00 0.00 C ATOM 647 C LEU A 47 9.886 0.959 -2.237 1.00 0.00 C ATOM 648 O LEU A 47 9.545 1.799 -3.071 1.00 0.00 O ATOM 649 CB LEU A 47 8.692 1.861 -0.243 1.00 0.00 C ATOM 650 CG LEU A 47 8.810 2.243 1.242 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.484 2.856 1.708 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.134 0.995 2.096 1.00 0.00 C ATOM 0 H LEU A 47 10.717 3.304 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 47 10.320 0.446 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.386 2.730 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.919 1.103 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 47 9.617 2.966 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.560 3.130 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.267 3.745 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.682 2.129 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.214 1.282 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.338 0.259 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.078 0.563 1.765 1.00 0.00 H new ATOM 664 N LYS A 48 10.150 -0.310 -2.547 1.00 0.00 N ATOM 665 CA LYS A 48 10.058 -0.817 -3.921 1.00 0.00 C ATOM 666 C LYS A 48 9.022 -1.931 -3.998 1.00 0.00 C ATOM 667 O LYS A 48 8.857 -2.696 -3.053 1.00 0.00 O ATOM 668 CB LYS A 48 11.427 -1.359 -4.353 1.00 0.00 C ATOM 669 CG LYS A 48 12.469 -0.201 -4.437 1.00 0.00 C ATOM 670 CD LYS A 48 12.712 0.217 -5.906 1.00 0.00 C ATOM 671 CE LYS A 48 13.733 -0.723 -6.559 1.00 0.00 C ATOM 672 NZ LYS A 48 15.098 -0.391 -6.059 1.00 0.00 N ATOM 0 H LYS A 48 10.431 -1.012 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 48 9.757 -0.006 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.768 -2.112 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.341 -1.851 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.113 0.656 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.409 -0.518 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.774 0.189 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.075 1.244 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.490 -1.760 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.696 -0.622 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.810 -0.766 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.200 0.642 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.237 -0.817 -5.120 1.00 0.00 H new ATOM 686 N TRP A 49 8.322 -2.012 -5.124 1.00 0.00 N ATOM 687 CA TRP A 49 7.298 -3.035 -5.303 1.00 0.00 C ATOM 688 C TRP A 49 7.923 -4.417 -5.445 1.00 0.00 C ATOM 689 O TRP A 49 9.121 -4.582 -5.227 1.00 0.00 O ATOM 690 CB TRP A 49 6.449 -2.704 -6.534 1.00 0.00 C ATOM 691 CG TRP A 49 5.563 -1.552 -6.208 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.691 -0.297 -6.699 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.418 -1.535 -5.317 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.696 0.495 -6.156 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.886 -0.221 -5.299 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.791 -2.528 -4.523 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.774 0.101 -4.520 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.661 -2.208 -3.739 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.155 -0.894 -3.735 1.00 0.00 C ATOM 0 H TRP A 49 8.443 -1.387 -5.921 1.00 0.00 H new ATOM 0 HA TRP A 49 6.661 -3.047 -4.419 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.090 -2.459 -7.381 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.853 -3.569 -6.825 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.445 0.031 -7.399 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.576 1.486 -6.364 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.180 -3.536 -4.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.388 1.110 -4.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.185 -2.972 -3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.294 -0.648 -3.131 1.00 0.00 H new ATOM 710 N GLN A 50 7.090 -5.408 -5.794 1.00 0.00 N ATOM 711 CA GLN A 50 7.543 -6.798 -5.950 1.00 0.00 C ATOM 712 C GLN A 50 8.636 -7.134 -4.938 1.00 0.00 C ATOM 713 O GLN A 50 9.773 -7.431 -5.301 1.00 0.00 O ATOM 714 CB GLN A 50 8.046 -7.052 -7.379 1.00 0.00 C ATOM 715 CG GLN A 50 9.054 -5.976 -7.798 1.00 0.00 C ATOM 716 CD GLN A 50 9.707 -6.383 -9.118 1.00 0.00 C ATOM 717 OE1 GLN A 50 10.730 -7.039 -9.127 1.00 0.00 O ATOM 718 NE2 GLN A 50 9.155 -6.019 -10.242 1.00 0.00 N ATOM 0 H GLN A 50 6.095 -5.272 -5.974 1.00 0.00 H new ATOM 0 HA GLN A 50 6.689 -7.449 -5.762 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.512 -8.036 -7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.204 -7.057 -8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.552 -5.015 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.814 -5.852 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.296 -5.468 -10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.582 -6.285 -11.129 1.00 0.00 H new ATOM 727 N GLY A 51 8.272 -7.097 -3.665 1.00 0.00 N ATOM 728 CA GLY A 51 9.217 -7.397 -2.609 1.00 0.00 C ATOM 729 C GLY A 51 8.534 -7.588 -1.273 1.00 0.00 C ATOM 730 O GLY A 51 7.307 -7.641 -1.194 1.00 0.00 O ATOM 0 H GLY A 51 7.333 -6.863 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.771 -8.300 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.943 -6.588 -2.532 1.00 0.00 H new ATOM 734 N SER A 52 9.335 -7.712 -0.217 1.00 0.00 N ATOM 735 CA SER A 52 8.789 -7.919 1.121 1.00 0.00 C ATOM 736 C SER A 52 9.810 -7.541 2.197 1.00 0.00 C ATOM 737 O SER A 52 10.934 -7.141 1.889 1.00 0.00 O ATOM 738 CB SER A 52 8.378 -9.389 1.273 1.00 0.00 C ATOM 739 OG SER A 52 9.357 -10.212 0.654 1.00 0.00 O ATOM 0 H SER A 52 10.353 -7.673 -0.261 1.00 0.00 H new ATOM 0 HA SER A 52 7.918 -7.277 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.284 -9.646 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.403 -9.556 0.816 1.00 0.00 H new ATOM 0 HG SER A 52 9.101 -11.153 0.749 1.00 0.00 H new ATOM 745 N ASN A 53 9.396 -7.674 3.460 1.00 0.00 N ATOM 746 CA ASN A 53 10.252 -7.357 4.609 1.00 0.00 C ATOM 747 C ASN A 53 10.637 -5.868 4.631 1.00 0.00 C ATOM 748 O ASN A 53 11.816 -5.524 4.721 1.00 0.00 O ATOM 749 CB ASN A 53 11.522 -8.259 4.610 1.00 0.00 C ATOM 750 CG ASN A 53 11.263 -9.556 5.388 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.224 -10.170 5.249 1.00 0.00 O ATOM 752 ND2 ASN A 53 12.175 -9.996 6.211 1.00 0.00 N ATOM 0 H ASN A 53 8.465 -8.002 3.715 1.00 0.00 H new ATOM 0 HA ASN A 53 9.683 -7.561 5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.808 -8.494 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.357 -7.720 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.015 -10.855 6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.048 -9.481 6.328 1.00 0.00 H new ATOM 759 N PHE A 54 9.631 -4.980 4.581 1.00 0.00 N ATOM 760 CA PHE A 54 9.879 -3.526 4.631 1.00 0.00 C ATOM 761 C PHE A 54 9.404 -2.966 5.973 1.00 0.00 C ATOM 762 O PHE A 54 10.032 -2.080 6.547 1.00 0.00 O ATOM 763 CB PHE A 54 9.171 -2.807 3.451 1.00 0.00 C ATOM 764 CG PHE A 54 7.776 -2.348 3.824 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.596 -1.139 4.524 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.665 -3.124 3.462 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.296 -0.709 4.866 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.362 -2.698 3.798 1.00 0.00 C ATOM 769 CZ PHE A 54 5.177 -1.489 4.504 1.00 0.00 C ATOM 0 H PHE A 54 8.647 -5.238 4.507 1.00 0.00 H new ATOM 0 HA PHE A 54 10.950 -3.347 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.765 -1.947 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.115 -3.481 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.452 -0.541 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.807 -4.050 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.158 0.217 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.508 -3.296 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.182 -1.162 4.766 1.00 0.00 H new ATOM 779 N ILE A 55 8.302 -3.513 6.469 1.00 0.00 N ATOM 780 CA ILE A 55 7.757 -3.079 7.749 1.00 0.00 C ATOM 781 C ILE A 55 8.729 -3.451 8.851 1.00 0.00 C ATOM 782 O ILE A 55 8.818 -2.787 9.883 1.00 0.00 O ATOM 783 CB ILE A 55 6.400 -3.759 8.021 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.836 -3.340 9.396 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.582 -5.280 8.001 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.742 -1.804 9.510 1.00 0.00 C ATOM 0 H ILE A 55 7.771 -4.252 6.009 1.00 0.00 H new ATOM 0 HA ILE A 55 7.609 -1.999 7.721 1.00 0.00 H new ATOM 0 HB ILE A 55 5.699 -3.449 7.246 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.849 -3.780 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.475 -3.729 10.189 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.624 -5.764 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.955 -5.589 7.025 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.296 -5.571 8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.342 -1.536 10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.734 -1.369 9.392 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.083 -1.421 8.731 1.00 0.00 H new ATOM 798 N GLU A 56 9.459 -4.521 8.598 1.00 0.00 N ATOM 799 CA GLU A 56 10.449 -5.019 9.530 1.00 0.00 C ATOM 800 C GLU A 56 11.556 -3.971 9.714 1.00 0.00 C ATOM 801 O GLU A 56 12.265 -3.970 10.720 1.00 0.00 O ATOM 802 CB GLU A 56 10.972 -6.364 8.965 1.00 0.00 C ATOM 803 CG GLU A 56 12.402 -6.703 9.447 1.00 0.00 C ATOM 804 CD GLU A 56 13.443 -6.181 8.450 1.00 0.00 C ATOM 805 OE1 GLU A 56 13.360 -5.024 8.084 1.00 0.00 O ATOM 806 OE2 GLU A 56 14.302 -6.957 8.067 1.00 0.00 O ATOM 0 H GLU A 56 9.381 -5.068 7.741 1.00 0.00 H new ATOM 0 HA GLU A 56 10.031 -5.196 10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.295 -7.165 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.961 -6.324 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.576 -6.261 10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.508 -7.782 9.560 1.00 0.00 H new ATOM 813 N ALA A 57 11.676 -3.061 8.740 1.00 0.00 N ATOM 814 CA ALA A 57 12.683 -1.988 8.796 1.00 0.00 C ATOM 815 C ALA A 57 12.036 -0.625 8.542 1.00 0.00 C ATOM 816 O ALA A 57 12.713 0.325 8.148 1.00 0.00 O ATOM 817 CB ALA A 57 13.775 -2.253 7.756 1.00 0.00 C ATOM 0 H ALA A 57 11.091 -3.044 7.905 1.00 0.00 H new ATOM 0 HA ALA A 57 13.127 -1.976 9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.519 -1.458 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.253 -3.210 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.331 -2.281 6.761 1.00 0.00 H new ATOM 823 N CYS A 58 10.725 -0.526 8.772 1.00 0.00 N ATOM 824 CA CYS A 58 10.014 0.740 8.562 1.00 0.00 C ATOM 825 C CYS A 58 8.916 0.929 9.598 1.00 0.00 C ATOM 826 O CYS A 58 8.508 -0.016 10.266 1.00 0.00 O ATOM 827 CB CYS A 58 9.403 0.772 7.162 1.00 0.00 C ATOM 828 SG CYS A 58 10.697 0.483 5.932 1.00 0.00 S ATOM 0 H CYS A 58 10.140 -1.295 9.099 1.00 0.00 H new ATOM 0 HA CYS A 58 10.734 1.552 8.666 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.627 0.011 7.075 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.926 1.736 6.984 1.00 0.00 H new ATOM 833 N ARG A 59 8.444 2.168 9.724 1.00 0.00 N ATOM 834 CA ARG A 59 7.387 2.489 10.680 1.00 0.00 C ATOM 835 C ARG A 59 6.655 3.756 10.254 1.00 0.00 C ATOM 836 O ARG A 59 7.005 4.378 9.251 1.00 0.00 O ATOM 837 CB ARG A 59 7.979 2.681 12.088 1.00 0.00 C ATOM 838 CG ARG A 59 9.022 3.846 12.109 1.00 0.00 C ATOM 839 CD ARG A 59 10.436 3.308 12.379 1.00 0.00 C ATOM 840 NE ARG A 59 11.401 4.445 12.420 1.00 0.00 N ATOM 841 CZ ARG A 59 11.473 5.210 13.476 1.00 0.00 C ATOM 842 NH1 ARG A 59 10.762 4.932 14.534 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.257 6.254 13.473 1.00 0.00 N ATOM 0 H ARG A 59 8.776 2.963 9.178 1.00 0.00 H new ATOM 0 HA ARG A 59 6.680 1.660 10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.178 2.894 12.796 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.456 1.757 12.414 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.005 4.373 11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.750 4.569 12.878 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.456 2.766 13.324 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.723 2.601 11.600 1.00 0.00 H new ATOM 0 HE ARG A 59 12.007 4.626 11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.149 4.117 14.537 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.819 5.530 15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.813 6.472 12.646 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.313 6.852 14.298 1.00 0.00 H new ATOM 857 N ASN A 60 5.640 4.129 11.024 1.00 0.00 N ATOM 858 CA ASN A 60 4.861 5.322 10.721 1.00 0.00 C ATOM 859 C ASN A 60 4.312 5.259 9.301 1.00 0.00 C ATOM 860 O ASN A 60 4.550 6.161 8.500 1.00 0.00 O ATOM 861 CB ASN A 60 5.726 6.577 10.871 1.00 0.00 C ATOM 862 CG ASN A 60 6.146 6.741 12.332 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.316 6.736 13.219 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.410 6.889 12.622 1.00 0.00 N ATOM 0 H ASN A 60 5.339 3.625 11.858 1.00 0.00 H new ATOM 0 HA ASN A 60 4.030 5.368 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.608 6.501 10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.170 7.455 10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.701 7.000 13.593 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.107 6.893 11.877 1.00 0.00 H new ATOM 871 N THR A 61 3.551 4.206 8.999 1.00 0.00 N ATOM 872 CA THR A 61 2.943 4.048 7.677 1.00 0.00 C ATOM 873 C THR A 61 1.539 4.656 7.712 1.00 0.00 C ATOM 874 O THR A 61 0.797 4.451 8.671 1.00 0.00 O ATOM 875 CB THR A 61 2.848 2.539 7.312 1.00 0.00 C ATOM 876 OG1 THR A 61 2.606 1.796 8.491 1.00 0.00 O ATOM 877 CG2 THR A 61 4.161 2.051 6.688 1.00 0.00 C ATOM 0 H THR A 61 3.341 3.450 9.651 1.00 0.00 H new ATOM 0 HA THR A 61 3.553 4.552 6.928 1.00 0.00 H new ATOM 0 HB THR A 61 2.039 2.402 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.460 1.534 8.894 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.075 0.993 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.367 2.621 5.782 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.976 2.192 7.398 1.00 0.00 H new ATOM 885 N GLN A 62 1.181 5.413 6.676 1.00 0.00 N ATOM 886 CA GLN A 62 -0.137 6.051 6.633 1.00 0.00 C ATOM 887 C GLN A 62 -0.533 6.414 5.198 1.00 0.00 C ATOM 888 O GLN A 62 0.311 6.457 4.302 1.00 0.00 O ATOM 889 CB GLN A 62 -0.130 7.306 7.520 1.00 0.00 C ATOM 890 CG GLN A 62 0.985 8.287 7.081 1.00 0.00 C ATOM 891 CD GLN A 62 0.479 9.213 5.971 1.00 0.00 C ATOM 892 OE1 GLN A 62 -0.663 9.140 5.578 1.00 0.00 O ATOM 893 NE2 GLN A 62 1.291 10.093 5.454 1.00 0.00 N ATOM 0 H GLN A 62 1.773 5.599 5.866 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.876 5.344 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.099 7.802 7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.021 7.020 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.313 8.879 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.852 7.728 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.254 10.155 5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.963 10.719 4.719 1.00 0.00 H new ATOM 902 N LEU A 63 -1.828 6.670 4.993 1.00 0.00 N ATOM 903 CA LEU A 63 -2.350 7.030 3.668 1.00 0.00 C ATOM 904 C LEU A 63 -2.120 8.508 3.392 1.00 0.00 C ATOM 905 O LEU A 63 -2.522 9.365 4.177 1.00 0.00 O ATOM 906 CB LEU A 63 -3.852 6.727 3.606 1.00 0.00 C ATOM 907 CG LEU A 63 -4.380 6.872 2.155 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.051 5.616 1.326 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.901 7.077 2.180 1.00 0.00 C ATOM 0 H LEU A 63 -2.536 6.635 5.727 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.826 6.443 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.039 5.716 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.393 7.406 4.265 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.895 7.733 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.431 5.740 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.971 5.474 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.518 4.745 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.271 7.179 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.376 6.218 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.137 7.980 2.743 1.00 0.00 H new ATOM 921 N ALA A 64 -1.491 8.800 2.253 1.00 0.00 N ATOM 922 CA ALA A 64 -1.211 10.184 1.852 1.00 0.00 C ATOM 923 C ALA A 64 -1.914 10.516 0.536 1.00 0.00 C ATOM 924 O ALA A 64 -1.830 9.763 -0.433 1.00 0.00 O ATOM 925 CB ALA A 64 0.297 10.370 1.709 1.00 0.00 C ATOM 0 H ALA A 64 -1.164 8.097 1.589 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.590 10.862 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.510 11.397 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.781 10.161 2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.678 9.686 0.951 1.00 0.00 H new ATOM 931 N GLY A 65 -2.599 11.657 0.516 1.00 0.00 N ATOM 932 CA GLY A 65 -3.304 12.103 -0.675 1.00 0.00 C ATOM 933 C GLY A 65 -4.565 11.306 -0.957 1.00 0.00 C ATOM 934 O GLY A 65 -5.671 11.838 -0.880 1.00 0.00 O ATOM 0 H GLY A 65 -2.679 12.288 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.565 13.155 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.636 12.030 -1.533 1.00 0.00 H new ATOM 938 N SER A 66 -4.379 10.022 -1.250 1.00 0.00 N ATOM 939 CA SER A 66 -5.508 9.126 -1.529 1.00 0.00 C ATOM 940 C SER A 66 -5.049 7.706 -1.831 1.00 0.00 C ATOM 941 O SER A 66 -5.656 6.741 -1.366 1.00 0.00 O ATOM 942 CB SER A 66 -6.325 9.632 -2.731 1.00 0.00 C ATOM 943 OG SER A 66 -7.583 8.970 -2.744 1.00 0.00 O ATOM 0 H SER A 66 -3.463 9.576 -1.301 1.00 0.00 H new ATOM 0 HA SER A 66 -6.123 9.119 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.467 10.711 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.788 9.439 -3.660 1.00 0.00 H new ATOM 0 HG SER A 66 -7.570 8.257 -3.416 1.00 0.00 H new ATOM 949 N SER A 67 -4.001 7.581 -2.645 1.00 0.00 N ATOM 950 CA SER A 67 -3.491 6.266 -3.040 1.00 0.00 C ATOM 951 C SER A 67 -1.978 6.199 -2.904 1.00 0.00 C ATOM 952 O SER A 67 -1.325 5.457 -3.628 1.00 0.00 O ATOM 953 CB SER A 67 -3.895 5.981 -4.496 1.00 0.00 C ATOM 954 OG SER A 67 -2.793 6.226 -5.364 1.00 0.00 O ATOM 0 H SER A 67 -3.490 8.369 -3.043 1.00 0.00 H new ATOM 0 HA SER A 67 -3.923 5.514 -2.379 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.224 4.946 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.738 6.612 -4.778 1.00 0.00 H new ATOM 0 HG SER A 67 -2.068 5.599 -5.158 1.00 0.00 H new ATOM 960 N GLU A 68 -1.426 6.963 -1.964 1.00 0.00 N ATOM 961 CA GLU A 68 0.021 6.965 -1.726 1.00 0.00 C ATOM 962 C GLU A 68 0.304 6.456 -0.322 1.00 0.00 C ATOM 963 O GLU A 68 -0.514 6.622 0.584 1.00 0.00 O ATOM 964 CB GLU A 68 0.599 8.374 -1.899 1.00 0.00 C ATOM 965 CG GLU A 68 0.089 8.988 -3.211 1.00 0.00 C ATOM 966 CD GLU A 68 0.930 10.219 -3.567 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.124 10.190 -3.317 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.365 11.169 -4.085 1.00 0.00 O ATOM 0 H GLU A 68 -1.954 7.588 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 68 0.497 6.309 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.309 9.002 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.688 8.332 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.145 8.253 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.959 9.269 -3.109 1.00 0.00 H new ATOM 975 N LEU A 69 1.470 5.836 -0.149 1.00 0.00 N ATOM 976 CA LEU A 69 1.882 5.293 1.149 1.00 0.00 C ATOM 977 C LEU A 69 3.183 5.951 1.570 1.00 0.00 C ATOM 978 O LEU A 69 4.236 5.702 0.995 1.00 0.00 O ATOM 979 CB LEU A 69 2.030 3.759 1.032 1.00 0.00 C ATOM 980 CG LEU A 69 2.614 3.070 2.312 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.152 3.001 2.283 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.168 3.771 3.605 1.00 0.00 C ATOM 0 H LEU A 69 2.151 5.696 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 69 1.132 5.503 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.053 3.327 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.676 3.531 0.184 1.00 0.00 H new ATOM 0 HG LEU A 69 2.214 2.056 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.512 2.516 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.474 2.429 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.560 4.010 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.598 3.257 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.508 4.806 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.081 3.747 3.675 1.00 0.00 H new ATOM 994 N ALA A 70 3.076 6.792 2.595 1.00 0.00 N ATOM 995 CA ALA A 70 4.225 7.508 3.147 1.00 0.00 C ATOM 996 C ALA A 70 4.690 6.813 4.416 1.00 0.00 C ATOM 997 O ALA A 70 3.872 6.354 5.213 1.00 0.00 O ATOM 998 CB ALA A 70 3.839 8.945 3.456 1.00 0.00 C ATOM 0 H ALA A 70 2.195 6.997 3.066 1.00 0.00 H new ATOM 0 HA ALA A 70 5.035 7.510 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.700 9.473 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.514 9.439 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.026 8.955 4.182 1.00 0.00 H new ATOM 1004 N ALA A 71 6.001 6.719 4.599 1.00 0.00 N ATOM 1005 CA ALA A 71 6.529 6.054 5.779 1.00 0.00 C ATOM 1006 C ALA A 71 8.012 6.310 5.950 1.00 0.00 C ATOM 1007 O ALA A 71 8.674 6.837 5.058 1.00 0.00 O ATOM 1008 CB ALA A 71 6.286 4.565 5.658 1.00 0.00 C ATOM 0 H ALA A 71 6.704 7.087 3.959 1.00 0.00 H new ATOM 0 HA ALA A 71 6.017 6.455 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.680 4.059 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.215 4.376 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.788 4.186 4.768 1.00 0.00 H new ATOM 1014 N GLU A 72 8.527 5.916 7.113 1.00 0.00 N ATOM 1015 CA GLU A 72 9.943 6.083 7.428 1.00 0.00 C ATOM 1016 C GLU A 72 10.648 4.729 7.399 1.00 0.00 C ATOM 1017 O GLU A 72 10.265 3.807 8.115 1.00 0.00 O ATOM 1018 CB GLU A 72 10.090 6.732 8.817 1.00 0.00 C ATOM 1019 CG GLU A 72 9.835 8.254 8.737 1.00 0.00 C ATOM 1020 CD GLU A 72 10.405 8.945 9.981 1.00 0.00 C ATOM 1021 OE1 GLU A 72 9.868 8.731 11.055 1.00 0.00 O ATOM 1022 OE2 GLU A 72 11.371 9.678 9.835 1.00 0.00 O ATOM 0 H GLU A 72 7.982 5.477 7.855 1.00 0.00 H new ATOM 0 HA GLU A 72 10.404 6.731 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.386 6.276 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.091 6.546 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.299 8.662 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.765 8.449 8.660 1.00 0.00 H new ATOM 1029 N CYS A 73 11.683 4.622 6.559 1.00 0.00 N ATOM 1030 CA CYS A 73 12.455 3.380 6.418 1.00 0.00 C ATOM 1031 C CYS A 73 13.929 3.627 6.731 1.00 0.00 C ATOM 1032 O CYS A 73 14.497 4.647 6.342 1.00 0.00 O ATOM 1033 CB CYS A 73 12.305 2.849 4.996 1.00 0.00 C ATOM 1034 SG CYS A 73 10.658 2.143 4.789 1.00 0.00 S ATOM 0 H CYS A 73 12.008 5.384 5.963 1.00 0.00 H new ATOM 0 HA CYS A 73 12.073 2.643 7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.460 3.654 4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.064 2.093 4.797 1.00 0.00 H new ATOM 1039 N LYS A 74 14.528 2.688 7.456 1.00 0.00 N ATOM 1040 CA LYS A 74 15.928 2.803 7.855 1.00 0.00 C ATOM 1041 C LYS A 74 16.873 2.634 6.661 1.00 0.00 C ATOM 1042 O LYS A 74 16.770 1.676 5.897 1.00 0.00 O ATOM 1043 CB LYS A 74 16.231 1.750 8.957 1.00 0.00 C ATOM 1044 CG LYS A 74 16.905 2.412 10.167 1.00 0.00 C ATOM 1045 CD LYS A 74 17.129 1.368 11.261 1.00 0.00 C ATOM 1046 CE LYS A 74 17.804 2.026 12.464 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.234 0.974 13.428 1.00 0.00 N ATOM 0 H LYS A 74 14.066 1.838 7.780 1.00 0.00 H new ATOM 0 HA LYS A 74 16.098 3.804 8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.306 1.266 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.878 0.971 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.857 2.853 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.282 3.223 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.177 0.929 11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.749 0.556 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.665 2.609 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.115 2.718 12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.694 1.421 14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.404 0.436 13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.905 0.330 12.963 1.00 0.00 H new ATOM 1061 N THR A 75 17.789 3.589 6.520 1.00 0.00 N ATOM 1062 CA THR A 75 18.758 3.567 5.428 1.00 0.00 C ATOM 1063 C THR A 75 19.874 2.564 5.719 1.00 0.00 C ATOM 1064 O THR A 75 19.982 2.044 6.829 1.00 0.00 O ATOM 1065 CB THR A 75 19.383 4.963 5.208 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.797 5.498 6.457 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.350 5.895 4.571 1.00 0.00 C ATOM 0 H THR A 75 17.880 4.387 7.148 1.00 0.00 H new ATOM 0 HA THR A 75 18.224 3.270 4.526 1.00 0.00 H new ATOM 0 HB THR A 75 20.244 4.873 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.099 6.090 6.807 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.794 6.879 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.033 5.486 3.612 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.486 5.985 5.230 1.00 0.00 H new ATOM 1075 N ALA A 76 20.697 2.297 4.710 1.00 0.00 N ATOM 1076 CA ALA A 76 21.800 1.355 4.862 1.00 0.00 C ATOM 1077 C ALA A 76 22.723 1.787 5.996 1.00 0.00 C ATOM 1078 O ALA A 76 23.403 0.961 6.605 1.00 0.00 O ATOM 1079 CB ALA A 76 22.584 1.268 3.562 1.00 0.00 C ATOM 0 H ALA A 76 20.622 2.717 3.783 1.00 0.00 H new ATOM 0 HA ALA A 76 21.390 0.375 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.407 0.563 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.926 0.927 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.982 2.251 3.310 1.00 0.00 H new ATOM 1085 N ALA A 77 22.745 3.089 6.269 1.00 0.00 N ATOM 1086 CA ALA A 77 23.592 3.633 7.328 1.00 0.00 C ATOM 1087 C ALA A 77 22.900 3.540 8.682 1.00 0.00 C ATOM 1088 O ALA A 77 23.530 3.736 9.722 1.00 0.00 O ATOM 1089 CB ALA A 77 23.919 5.086 7.023 1.00 0.00 C ATOM 0 H ALA A 77 22.188 3.785 5.774 1.00 0.00 H new ATOM 0 HA ALA A 77 24.510 3.047 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.551 5.490 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.445 5.148 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.996 5.662 6.966 1.00 0.00 H new ATOM 1095 N GLY A 78 21.601 3.234 8.677 1.00 0.00 N ATOM 1096 CA GLY A 78 20.841 3.117 9.915 1.00 0.00 C ATOM 1097 C GLY A 78 20.102 4.400 10.256 1.00 0.00 C ATOM 1098 O GLY A 78 19.946 4.739 11.429 1.00 0.00 O ATOM 0 H GLY A 78 21.058 3.064 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.125 2.300 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.516 2.860 10.731 1.00 0.00 H new ATOM 1102 N GLN A 79 19.645 5.123 9.223 1.00 0.00 N ATOM 1103 CA GLN A 79 18.919 6.389 9.420 1.00 0.00 C ATOM 1104 C GLN A 79 17.569 6.363 8.696 1.00 0.00 C ATOM 1105 O GLN A 79 17.480 6.049 7.511 1.00 0.00 O ATOM 1106 CB GLN A 79 19.791 7.562 8.919 1.00 0.00 C ATOM 1107 CG GLN A 79 20.793 7.988 10.027 1.00 0.00 C ATOM 1108 CD GLN A 79 22.069 8.564 9.406 1.00 0.00 C ATOM 1109 OE1 GLN A 79 23.161 8.221 9.816 1.00 0.00 O ATOM 1110 NE2 GLN A 79 21.979 9.426 8.432 1.00 0.00 N ATOM 0 H GLN A 79 19.764 4.855 8.246 1.00 0.00 H new ATOM 0 HA GLN A 79 18.718 6.523 10.483 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.333 7.266 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 79 19.158 8.406 8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.331 8.731 10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.041 7.129 10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 79 21.063 9.713 8.088 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.825 9.813 8.014 1.00 0.00 H new ATOM 1119 N PHE A 80 16.530 6.701 9.449 1.00 0.00 N ATOM 1120 CA PHE A 80 15.165 6.722 8.933 1.00 0.00 C ATOM 1121 C PHE A 80 14.909 7.959 8.063 1.00 0.00 C ATOM 1122 O PHE A 80 14.942 9.089 8.548 1.00 0.00 O ATOM 1123 CB PHE A 80 14.184 6.693 10.120 1.00 0.00 C ATOM 1124 CG PHE A 80 14.029 5.272 10.645 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.323 4.314 9.886 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.585 4.908 11.894 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.177 2.994 10.370 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.431 3.590 12.380 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.734 2.632 11.614 1.00 0.00 C ATOM 0 H PHE A 80 16.608 6.967 10.431 1.00 0.00 H new ATOM 0 HA PHE A 80 15.016 5.846 8.302 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.546 7.344 10.916 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.214 7.080 9.808 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.894 4.590 8.934 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.128 5.638 12.476 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.638 2.262 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.847 3.316 13.338 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.627 1.622 11.980 1.00 0.00 H new ATOM 1139 N VAL A 81 14.633 7.725 6.773 1.00 0.00 N ATOM 1140 CA VAL A 81 14.342 8.809 5.820 1.00 0.00 C ATOM 1141 C VAL A 81 12.859 8.782 5.467 1.00 0.00 C ATOM 1142 O VAL A 81 12.147 7.893 5.906 1.00 0.00 O ATOM 1143 CB VAL A 81 15.160 8.645 4.528 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.644 8.833 4.841 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.935 7.245 3.952 1.00 0.00 C ATOM 0 H VAL A 81 14.605 6.792 6.363 1.00 0.00 H new ATOM 0 HA VAL A 81 14.610 9.757 6.287 1.00 0.00 H new ATOM 0 HB VAL A 81 14.842 9.391 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.226 8.717 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.806 9.830 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.960 8.086 5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.515 7.131 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.252 6.497 4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.877 7.109 3.730 1.00 0.00 H new ATOM 1155 N SER A 82 12.389 9.742 4.666 1.00 0.00 N ATOM 1156 CA SER A 82 10.970 9.783 4.276 1.00 0.00 C ATOM 1157 C SER A 82 10.760 9.091 2.932 1.00 0.00 C ATOM 1158 O SER A 82 11.213 9.582 1.899 1.00 0.00 O ATOM 1159 CB SER A 82 10.502 11.242 4.172 1.00 0.00 C ATOM 1160 OG SER A 82 10.295 11.761 5.477 1.00 0.00 O ATOM 0 H SER A 82 12.958 10.494 4.277 1.00 0.00 H new ATOM 0 HA SER A 82 10.389 9.261 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.247 11.838 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.580 11.300 3.594 1.00 0.00 H new ATOM 0 HG SER A 82 9.998 12.693 5.415 1.00 0.00 H new ATOM 1166 N THR A 83 10.083 7.940 2.949 1.00 0.00 N ATOM 1167 CA THR A 83 9.827 7.180 1.722 1.00 0.00 C ATOM 1168 C THR A 83 8.358 7.213 1.339 1.00 0.00 C ATOM 1169 O THR A 83 7.474 7.224 2.198 1.00 0.00 O ATOM 1170 CB THR A 83 10.212 5.706 1.908 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.280 5.084 2.785 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.619 5.602 2.498 1.00 0.00 C ATOM 0 H THR A 83 9.703 7.515 3.795 1.00 0.00 H new ATOM 0 HA THR A 83 10.427 7.645 0.940 1.00 0.00 H new ATOM 0 HB THR A 83 10.196 5.206 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.115 5.668 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.883 4.552 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.332 6.076 1.824 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.646 6.104 3.465 1.00 0.00 H new ATOM 1180 N LYS A 84 8.109 7.203 0.031 1.00 0.00 N ATOM 1181 CA LYS A 84 6.747 7.204 -0.495 1.00 0.00 C ATOM 1182 C LYS A 84 6.630 6.213 -1.645 1.00 0.00 C ATOM 1183 O LYS A 84 7.632 5.770 -2.205 1.00 0.00 O ATOM 1184 CB LYS A 84 6.348 8.601 -0.987 1.00 0.00 C ATOM 1185 CG LYS A 84 7.393 9.150 -1.986 1.00 0.00 C ATOM 1186 CD LYS A 84 6.727 10.139 -2.953 1.00 0.00 C ATOM 1187 CE LYS A 84 6.061 11.268 -2.165 1.00 0.00 C ATOM 1188 NZ LYS A 84 5.624 12.336 -3.106 1.00 0.00 N ATOM 0 H LYS A 84 8.835 7.194 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 84 6.075 6.912 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.369 8.558 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.259 9.279 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.200 9.645 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.841 8.328 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.470 10.550 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.985 9.622 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.205 10.884 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.758 11.676 -1.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.171 13.105 -2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.450 12.709 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.945 11.941 -3.788 1.00 0.00 H new ATOM 1202 N ILE A 85 5.401 5.880 -1.996 1.00 0.00 N ATOM 1203 CA ILE A 85 5.152 4.950 -3.084 1.00 0.00 C ATOM 1204 C ILE A 85 3.672 4.999 -3.440 1.00 0.00 C ATOM 1205 O ILE A 85 2.813 5.005 -2.558 1.00 0.00 O ATOM 1206 CB ILE A 85 5.584 3.521 -2.683 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.451 2.535 -3.880 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.734 3.048 -1.503 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.533 1.428 -3.781 1.00 0.00 C ATOM 0 H ILE A 85 4.560 6.239 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 85 5.739 5.234 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 85 6.634 3.542 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.458 2.085 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.558 3.076 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.036 2.040 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.876 3.722 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.683 3.044 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.431 0.743 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.523 1.884 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.406 0.878 -2.849 1.00 0.00 H new ATOM 1221 N ASN A 86 3.377 5.050 -4.734 1.00 0.00 N ATOM 1222 CA ASN A 86 1.994 5.121 -5.193 1.00 0.00 C ATOM 1223 C ASN A 86 1.363 3.737 -5.182 1.00 0.00 C ATOM 1224 O ASN A 86 1.797 2.843 -5.905 1.00 0.00 O ATOM 1225 CB ASN A 86 1.958 5.718 -6.602 1.00 0.00 C ATOM 1226 CG ASN A 86 0.510 5.872 -7.064 1.00 0.00 C ATOM 1227 OD1 ASN A 86 0.085 5.218 -7.995 1.00 0.00 O ATOM 1228 ND2 ASN A 86 -0.269 6.721 -6.452 1.00 0.00 N ATOM 0 H ASN A 86 4.072 5.044 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 86 1.421 5.760 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.456 6.688 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.503 5.075 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.236 6.836 -6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.089 7.270 -5.670 1.00 0.00 H new ATOM 1235 N LEU A 87 0.318 3.579 -4.376 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.395 2.313 -4.275 1.00 0.00 C ATOM 1237 C LEU A 87 -1.160 2.022 -5.561 1.00 0.00 C ATOM 1238 O LEU A 87 -1.308 0.867 -5.958 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.362 2.384 -3.091 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.604 2.549 -1.763 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.637 2.728 -0.648 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.275 1.315 -1.467 1.00 0.00 C ATOM 0 H LEU A 87 -0.055 4.318 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 87 0.322 1.507 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.048 3.220 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.967 1.478 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 87 0.053 3.416 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.125 2.847 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.240 3.613 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.283 1.851 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.799 1.460 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.354 0.427 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.002 1.185 -2.269 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.630 3.076 -6.215 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.370 2.925 -7.465 1.00 0.00 C ATOM 1256 C ASP A 88 -1.459 2.378 -8.564 1.00 0.00 C ATOM 1257 O ASP A 88 -1.928 2.018 -9.643 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.950 4.294 -7.892 1.00 0.00 C ATOM 1259 CG ASP A 88 -4.300 4.559 -7.205 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -4.774 3.686 -6.496 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -4.840 5.632 -7.412 1.00 0.00 O ATOM 0 H ASP A 88 -1.514 4.041 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.185 2.219 -7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.246 5.087 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.078 4.317 -8.974 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.163 2.327 -8.293 1.00 0.00 N ATOM 1267 CA ASP A 89 0.788 1.834 -9.282 1.00 0.00 C ATOM 1268 C ASP A 89 0.539 0.359 -9.599 1.00 0.00 C ATOM 1269 O ASP A 89 0.795 -0.092 -10.715 1.00 0.00 O ATOM 1270 CB ASP A 89 2.226 2.025 -8.768 1.00 0.00 C ATOM 1271 CG ASP A 89 3.209 2.067 -9.943 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.666 1.011 -10.347 1.00 0.00 O ATOM 1273 OD2 ASP A 89 3.488 3.157 -10.417 1.00 0.00 O ATOM 0 H ASP A 89 0.252 2.617 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 89 0.652 2.407 -10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.295 2.949 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.490 1.211 -8.093 1.00 0.00 H new ATOM 1278 N HIS A 90 0.046 -0.394 -8.612 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.219 -1.825 -8.802 1.00 0.00 C ATOM 1280 C HIS A 90 -1.489 -2.253 -8.067 1.00 0.00 C ATOM 1281 O HIS A 90 -2.273 -3.045 -8.590 1.00 0.00 O ATOM 1282 CB HIS A 90 0.972 -2.641 -8.283 1.00 0.00 C ATOM 1283 CG HIS A 90 2.128 -2.539 -9.245 1.00 0.00 C ATOM 1284 ND1 HIS A 90 1.946 -2.493 -10.617 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.484 -2.484 -9.045 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.162 -2.418 -11.185 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.135 -2.410 -10.272 1.00 0.00 N ATOM 0 H HIS A 90 -0.176 -0.042 -7.681 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.360 -2.008 -9.867 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.273 -2.276 -7.301 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.682 -3.684 -8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.972 -2.496 -8.082 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.331 -2.370 -12.251 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.140 -2.360 -10.438 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.689 -1.742 -6.856 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.877 -2.104 -6.088 1.00 0.00 C ATOM 1297 C ILE A 91 -4.125 -1.804 -6.901 1.00 0.00 C ATOM 1298 O ILE A 91 -4.390 -0.656 -7.248 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.961 -1.322 -4.761 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.634 -1.445 -3.976 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.146 -1.832 -3.917 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.331 -2.897 -3.573 1.00 0.00 C ATOM 0 H ILE A 91 -1.058 -1.089 -6.392 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.807 -3.168 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.126 -0.268 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.816 -1.061 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.684 -0.824 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.195 -1.272 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.074 -1.694 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.008 -2.891 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.390 -2.933 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.135 -3.274 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.253 -3.514 -4.468 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.887 -2.850 -7.214 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.116 -2.714 -8.001 1.00 0.00 C ATOM 1316 C ALA A 92 -7.315 -3.135 -7.168 1.00 0.00 C ATOM 1317 O ALA A 92 -7.173 -3.540 -6.014 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.032 -3.595 -9.235 1.00 0.00 C ATOM 0 H ALA A 92 -4.675 -3.808 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.231 -1.672 -8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.947 -3.492 -9.818 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.179 -3.291 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.910 -4.635 -8.932 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.499 -3.050 -7.770 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.743 -3.436 -7.099 1.00 0.00 C ATOM 1326 C ASN A 93 -10.423 -4.548 -7.886 1.00 0.00 C ATOM 1327 O ASN A 93 -10.915 -4.321 -8.991 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.677 -2.235 -7.017 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.887 -2.583 -6.147 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.742 -3.144 -5.078 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.083 -2.273 -6.564 1.00 0.00 N ATOM 0 H ASN A 93 -8.626 -2.716 -8.725 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.513 -3.787 -6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.149 -1.379 -6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.005 -1.948 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.897 -2.501 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.204 -1.802 -7.461 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.441 -5.755 -7.317 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.056 -6.913 -7.975 1.00 0.00 C ATOM 1340 C ILE A 94 -12.320 -7.344 -7.237 1.00 0.00 C ATOM 1341 O ILE A 94 -12.252 -7.973 -6.181 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.077 -8.107 -7.994 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.710 -7.659 -8.564 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.668 -9.275 -8.820 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.875 -6.956 -9.920 1.00 0.00 C ATOM 0 H ILE A 94 -10.037 -5.958 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.305 -6.618 -8.994 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.925 -8.460 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.223 -6.985 -7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.059 -8.526 -8.678 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.966 -10.109 -8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.610 -9.595 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.844 -8.944 -9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.897 -6.653 -10.294 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.340 -7.640 -10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.506 -6.075 -9.799 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.470 -7.015 -7.812 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.751 -7.384 -7.221 1.00 0.00 C ATOM 1359 C ASP A 95 -14.945 -6.718 -5.854 1.00 0.00 C ATOM 1360 O ASP A 95 -15.584 -7.281 -4.965 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.832 -8.920 -7.092 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.290 -9.390 -7.193 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -17.093 -8.945 -6.391 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.574 -10.183 -8.076 1.00 0.00 O ATOM 0 H ASP A 95 -13.542 -6.494 -8.686 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.551 -7.032 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.237 -9.389 -7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.407 -9.234 -6.139 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.402 -5.511 -5.702 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.529 -4.763 -4.456 1.00 0.00 C ATOM 1371 C GLY A 96 -13.464 -5.114 -3.438 1.00 0.00 C ATOM 1372 O GLY A 96 -13.522 -4.664 -2.294 1.00 0.00 O ATOM 0 H GLY A 96 -13.870 -5.031 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.477 -3.696 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.512 -4.953 -4.024 1.00 0.00 H new ATOM 1376 N THR A 97 -12.490 -5.923 -3.847 1.00 0.00 N ATOM 1377 CA THR A 97 -11.400 -6.338 -2.954 1.00 0.00 C ATOM 1378 C THR A 97 -10.079 -5.782 -3.461 1.00 0.00 C ATOM 1379 O THR A 97 -9.901 -5.603 -4.661 1.00 0.00 O ATOM 1380 CB THR A 97 -11.298 -7.871 -2.903 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.798 -8.350 -4.142 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.682 -8.468 -2.643 1.00 0.00 C ATOM 0 H THR A 97 -12.429 -6.307 -4.790 1.00 0.00 H new ATOM 0 HA THR A 97 -11.612 -5.955 -1.956 1.00 0.00 H new ATOM 0 HB THR A 97 -10.623 -8.165 -2.100 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.254 -7.891 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.608 -9.555 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.065 -8.099 -1.692 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.360 -8.177 -3.445 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.145 -5.517 -2.549 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.838 -4.986 -2.935 1.00 0.00 C ATOM 1392 C LEU A 98 -6.875 -6.125 -3.240 1.00 0.00 C ATOM 1393 O LEU A 98 -6.805 -7.108 -2.503 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.264 -4.129 -1.802 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.291 -3.077 -1.357 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.749 -2.329 -0.133 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.553 -2.077 -2.498 1.00 0.00 C ATOM 0 H LEU A 98 -9.266 -5.660 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.964 -4.373 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.994 -4.763 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.350 -3.637 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.227 -3.574 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.474 -1.581 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.575 -3.036 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.811 -1.837 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.282 -1.336 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.622 -1.577 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.940 -2.609 -3.367 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.129 -5.981 -4.333 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.160 -6.998 -4.741 1.00 0.00 C ATOM 1411 C LYS A 99 -4.003 -6.349 -5.490 1.00 0.00 C ATOM 1412 O LYS A 99 -4.167 -5.310 -6.127 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.824 -8.030 -5.657 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.866 -8.843 -4.878 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.293 -10.064 -5.710 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.591 -10.654 -5.150 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.389 -11.049 -3.729 1.00 0.00 N ATOM 0 H LYS A 99 -6.176 -5.172 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.788 -7.493 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.301 -7.526 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.068 -8.697 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.450 -9.167 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.733 -8.222 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.436 -9.773 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.506 -10.818 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.396 -9.923 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.892 -11.520 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.176 -11.656 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.493 -11.570 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.357 -10.197 -3.133 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.835 -6.977 -5.415 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.644 -6.470 -6.096 1.00 0.00 C ATOM 1433 C TYR A 100 -1.570 -7.048 -7.507 1.00 0.00 C ATOM 1434 O TYR A 100 -1.784 -8.244 -7.707 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.400 -6.869 -5.299 1.00 0.00 C ATOM 1436 CG TYR A 100 0.857 -6.476 -6.047 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.339 -5.152 -5.972 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.562 -7.439 -6.802 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.519 -4.792 -6.655 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.747 -7.077 -7.479 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.222 -5.750 -7.408 1.00 0.00 C ATOM 1442 OH TYR A 100 4.466 -5.437 -7.917 1.00 0.00 O ATOM 0 H TYR A 100 -2.685 -7.838 -4.890 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.696 -5.383 -6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.416 -6.385 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.404 -7.944 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.804 -4.415 -5.392 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.195 -8.453 -6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.884 -3.777 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.290 -7.815 -8.051 1.00 0.00 H new ATOM 0 HH TYR A 100 4.820 -6.205 -8.412 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.265 -6.191 -8.483 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.160 -6.614 -9.886 1.00 0.00 C ATOM 1454 C GLU A 101 0.246 -6.346 -10.412 1.00 0.00 C ATOM 1455 O GLU A 101 1.136 -6.166 -9.597 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.172 -5.844 -10.746 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.604 -6.041 -10.206 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.177 -7.383 -10.680 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -3.571 -8.402 -10.397 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.219 -7.365 -11.315 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.390 -6.218 -11.617 1.00 0.00 O ATOM 0 H GLU A 101 -1.086 -5.199 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.372 -7.682 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.922 -4.783 -10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.116 -6.188 -11.779 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.596 -6.007 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.243 -5.226 -10.546 1.00 0.00 H new