USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 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 Single : A 1 TRP N :NH3+ 154:sc= 0.182 (180deg=0.0295) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -162:sc= -0.229 (180deg=-0.794) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.404) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=-0.27) USER MOD Single : A 19 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.15) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 174:sc= 0 (180deg=-0.00752) USER MOD Single : A 29 SER OG : rot -42:sc= 0.487 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -91:sc= -0.136 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00191 K(o=-0.0019,f=-1.3) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.34) USER MOD Single : A 54 GLN : amide:sc= -0.852 K(o=-0.85,f=-5.5!) USER MOD Single : A 55 HIS : no HD1:sc= -0.0014 X(o=-0.0014,f=-0.006) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 137:sc= -0.197 (180deg=-0.775) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.318 2.109 -0.895 1.00 0.00 N ATOM 2 CA TRP A 1 2.334 1.606 -1.846 1.00 0.00 C ATOM 3 C TRP A 1 2.101 0.117 -2.127 1.00 0.00 C ATOM 4 O TRP A 1 2.380 -0.736 -1.270 1.00 0.00 O ATOM 5 CB TRP A 1 3.775 1.836 -1.311 1.00 0.00 C ATOM 6 CG TRP A 1 4.197 3.289 -1.270 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.877 4.221 -0.320 1.00 0.00 C ATOM 8 CD2 TRP A 1 5.023 3.967 -2.232 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.446 5.427 -0.635 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.154 5.298 -1.800 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.669 3.574 -3.412 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.891 6.242 -2.506 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.401 4.512 -4.115 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.511 5.833 -3.655 1.00 0.00 C ATOM 0 H1 TRP A 1 1.701 2.926 -0.378 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.466 2.397 -1.417 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.072 1.357 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 1 2.232 2.165 -2.776 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.848 1.420 -0.306 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.476 1.283 -1.937 1.00 0.00 H new ATOM 0 HD1 TRP A 1 3.266 4.033 0.550 1.00 0.00 H new ATOM 0 HE1 TRP A 1 4.357 6.284 -0.089 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.596 2.556 -3.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.971 7.262 -2.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.895 4.224 -5.031 1.00 0.00 H new ATOM 0 HH2 TRP A 1 7.098 6.542 -4.220 1.00 0.00 H new ATOM 25 N THR A 2 1.568 -0.186 -3.321 1.00 0.00 N ATOM 26 CA THR A 2 1.455 -1.565 -3.831 1.00 0.00 C ATOM 27 C THR A 2 2.870 -2.109 -4.117 1.00 0.00 C ATOM 28 O THR A 2 3.758 -1.325 -4.449 1.00 0.00 O ATOM 29 CB THR A 2 0.593 -1.589 -5.140 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.628 -0.866 -4.927 1.00 0.00 O ATOM 31 CG2 THR A 2 0.254 -3.023 -5.589 1.00 0.00 C ATOM 0 H THR A 2 1.202 0.518 -3.962 1.00 0.00 H new ATOM 0 HA THR A 2 0.965 -2.191 -3.086 1.00 0.00 H new ATOM 0 HB THR A 2 1.185 -1.121 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.164 -0.881 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.344 -2.987 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.176 -3.571 -5.782 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.310 -3.526 -4.804 1.00 0.00 H new ATOM 39 N GLU A 3 3.081 -3.435 -3.996 1.00 0.00 N ATOM 40 CA GLU A 3 4.403 -4.060 -4.250 1.00 0.00 C ATOM 41 C GLU A 3 4.870 -3.831 -5.716 1.00 0.00 C ATOM 42 O GLU A 3 6.072 -3.875 -5.998 1.00 0.00 O ATOM 43 CB GLU A 3 4.363 -5.574 -3.914 1.00 0.00 C ATOM 44 CG GLU A 3 3.976 -5.904 -2.462 1.00 0.00 C ATOM 45 CD GLU A 3 3.858 -7.419 -2.191 1.00 0.00 C ATOM 46 OE1 GLU A 3 2.845 -8.033 -2.609 1.00 0.00 O ATOM 47 OE2 GLU A 3 4.768 -8.005 -1.568 1.00 0.00 O ATOM 0 H GLU A 3 2.355 -4.098 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 3 5.130 -3.579 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.654 -6.062 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.343 -6.003 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.721 -5.478 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.025 -5.425 -2.229 1.00 0.00 H new ATOM 54 N GLU A 4 3.903 -3.579 -6.624 1.00 0.00 N ATOM 55 CA GLU A 4 4.176 -3.236 -8.038 1.00 0.00 C ATOM 56 C GLU A 4 4.966 -1.908 -8.151 1.00 0.00 C ATOM 57 O GLU A 4 6.071 -1.874 -8.712 1.00 0.00 O ATOM 58 CB GLU A 4 2.839 -3.125 -8.830 1.00 0.00 C ATOM 59 CG GLU A 4 1.968 -4.395 -8.814 1.00 0.00 C ATOM 60 CD GLU A 4 0.636 -4.226 -9.569 1.00 0.00 C ATOM 61 OE1 GLU A 4 -0.365 -3.799 -8.947 1.00 0.00 O ATOM 62 OE2 GLU A 4 0.584 -4.511 -10.782 1.00 0.00 O ATOM 0 H GLU A 4 2.909 -3.608 -6.398 1.00 0.00 H new ATOM 0 HA GLU A 4 4.785 -4.033 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.258 -2.299 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.067 -2.871 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.528 -5.218 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.760 -4.672 -7.781 1.00 0.00 H new ATOM 69 N GLU A 5 4.401 -0.830 -7.568 1.00 0.00 N ATOM 70 CA GLU A 5 5.010 0.523 -7.599 1.00 0.00 C ATOM 71 C GLU A 5 6.240 0.592 -6.673 1.00 0.00 C ATOM 72 O GLU A 5 7.170 1.369 -6.903 1.00 0.00 O ATOM 73 CB GLU A 5 3.964 1.611 -7.221 1.00 0.00 C ATOM 74 CG GLU A 5 3.439 1.545 -5.775 1.00 0.00 C ATOM 75 CD GLU A 5 2.383 2.609 -5.446 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.739 3.802 -5.352 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.189 2.257 -5.285 1.00 0.00 O ATOM 0 H GLU A 5 3.515 -0.869 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 5 5.345 0.720 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.410 2.592 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.117 1.529 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.012 0.558 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.279 1.657 -5.089 1.00 0.00 H new ATOM 84 N MET A 6 6.206 -0.233 -5.615 1.00 0.00 N ATOM 85 CA MET A 6 7.299 -0.370 -4.639 1.00 0.00 C ATOM 86 C MET A 6 8.545 -1.002 -5.294 1.00 0.00 C ATOM 87 O MET A 6 9.672 -0.707 -4.899 1.00 0.00 O ATOM 88 CB MET A 6 6.815 -1.238 -3.456 1.00 0.00 C ATOM 89 CG MET A 6 7.799 -1.379 -2.290 1.00 0.00 C ATOM 90 SD MET A 6 7.178 -2.452 -0.969 1.00 0.00 S ATOM 91 CE MET A 6 5.563 -1.740 -0.618 1.00 0.00 C ATOM 0 H MET A 6 5.407 -0.833 -5.410 1.00 0.00 H new ATOM 0 HA MET A 6 7.579 0.619 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.886 -0.814 -3.074 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.580 -2.234 -3.832 1.00 0.00 H new ATOM 0 HG2 MET A 6 8.742 -1.779 -2.663 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.012 -0.392 -1.880 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.218 -2.083 0.358 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.638 -0.653 -0.615 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.853 -2.053 -1.384 1.00 0.00 H new ATOM 101 N GLY A 7 8.308 -1.878 -6.289 1.00 0.00 N ATOM 102 CA GLY A 7 9.379 -2.480 -7.089 1.00 0.00 C ATOM 103 C GLY A 7 10.061 -1.468 -8.004 1.00 0.00 C ATOM 104 O GLY A 7 11.275 -1.533 -8.231 1.00 0.00 O ATOM 0 H GLY A 7 7.372 -2.184 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.121 -2.922 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.968 -3.290 -7.691 1.00 0.00 H new ATOM 108 N THR A 8 9.260 -0.513 -8.518 1.00 0.00 N ATOM 109 CA THR A 8 9.748 0.598 -9.358 1.00 0.00 C ATOM 110 C THR A 8 10.591 1.581 -8.512 1.00 0.00 C ATOM 111 O THR A 8 11.594 2.132 -8.991 1.00 0.00 O ATOM 112 CB THR A 8 8.551 1.352 -10.024 1.00 0.00 C ATOM 113 OG1 THR A 8 7.709 0.401 -10.692 1.00 0.00 O ATOM 114 CG2 THR A 8 9.013 2.424 -11.039 1.00 0.00 C ATOM 0 H THR A 8 8.252 -0.491 -8.361 1.00 0.00 H new ATOM 0 HA THR A 8 10.377 0.182 -10.145 1.00 0.00 H new ATOM 0 HB THR A 8 8.007 1.867 -9.232 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.956 0.868 -11.110 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.141 2.916 -11.471 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.632 3.163 -10.531 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.591 1.949 -11.832 1.00 0.00 H new ATOM 122 N ALA A 9 10.165 1.774 -7.242 1.00 0.00 N ATOM 123 CA ALA A 9 10.895 2.592 -6.253 1.00 0.00 C ATOM 124 C ALA A 9 12.228 1.915 -5.890 1.00 0.00 C ATOM 125 O ALA A 9 13.257 2.555 -5.889 1.00 0.00 O ATOM 126 CB ALA A 9 10.031 2.829 -4.997 1.00 0.00 C ATOM 0 H ALA A 9 9.305 1.366 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 9 11.113 3.565 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.588 3.434 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.116 3.350 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.778 1.871 -4.543 1.00 0.00 H new ATOM 132 N LYS A 10 12.168 0.599 -5.641 1.00 0.00 N ATOM 133 CA LYS A 10 13.331 -0.254 -5.284 1.00 0.00 C ATOM 134 C LYS A 10 14.412 -0.228 -6.390 1.00 0.00 C ATOM 135 O LYS A 10 15.614 -0.114 -6.104 1.00 0.00 O ATOM 136 CB LYS A 10 12.808 -1.700 -4.980 1.00 0.00 C ATOM 137 CG LYS A 10 13.857 -2.855 -4.940 1.00 0.00 C ATOM 138 CD LYS A 10 13.951 -3.642 -6.284 1.00 0.00 C ATOM 139 CE LYS A 10 14.842 -4.894 -6.191 1.00 0.00 C ATOM 140 NZ LYS A 10 16.243 -4.563 -5.824 1.00 0.00 N ATOM 0 H LYS A 10 11.292 0.077 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 10 13.821 0.135 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.297 -1.677 -4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.060 -1.952 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.836 -2.441 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.597 -3.546 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.949 -3.939 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.342 -2.982 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.427 -5.578 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.833 -5.416 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.895 -5.179 -6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.438 -3.569 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.378 -4.708 -4.803 1.00 0.00 H new ATOM 154 N LYS A 11 13.960 -0.308 -7.657 1.00 0.00 N ATOM 155 CA LYS A 11 14.845 -0.259 -8.839 1.00 0.00 C ATOM 156 C LYS A 11 15.378 1.176 -9.058 1.00 0.00 C ATOM 157 O LYS A 11 16.518 1.352 -9.496 1.00 0.00 O ATOM 158 CB LYS A 11 14.099 -0.765 -10.110 1.00 0.00 C ATOM 159 CG LYS A 11 14.923 -0.682 -11.424 1.00 0.00 C ATOM 160 CD LYS A 11 16.241 -1.507 -11.371 1.00 0.00 C ATOM 161 CE LYS A 11 17.208 -1.168 -12.519 1.00 0.00 C ATOM 162 NZ LYS A 11 16.614 -1.425 -13.860 1.00 0.00 N ATOM 0 H LYS A 11 12.972 -0.408 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 11 15.693 -0.919 -8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.799 -1.801 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.185 -0.184 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.311 -1.039 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.162 0.361 -11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.739 -1.326 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.000 -2.569 -11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.497 -0.119 -12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.118 -1.758 -12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.305 -1.181 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.362 -2.431 -13.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.760 -0.843 -13.979 1.00 0.00 H new ATOM 176 N GLY A 12 14.543 2.188 -8.755 1.00 0.00 N ATOM 177 CA GLY A 12 14.947 3.598 -8.866 1.00 0.00 C ATOM 178 C GLY A 12 16.049 3.960 -7.878 1.00 0.00 C ATOM 179 O GLY A 12 17.040 4.610 -8.235 1.00 0.00 O ATOM 0 H GLY A 12 13.585 2.053 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.291 3.797 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.081 4.237 -8.692 1.00 0.00 H new ATOM 183 N LEU A 13 15.857 3.499 -6.635 1.00 0.00 N ATOM 184 CA LEU A 13 16.800 3.671 -5.516 1.00 0.00 C ATOM 185 C LEU A 13 18.138 2.958 -5.804 1.00 0.00 C ATOM 186 O LEU A 13 19.171 3.313 -5.241 1.00 0.00 O ATOM 187 CB LEU A 13 16.139 3.174 -4.194 1.00 0.00 C ATOM 188 CG LEU A 13 14.893 4.013 -3.721 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.031 3.261 -2.688 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.316 5.385 -3.177 1.00 0.00 C ATOM 0 H LEU A 13 15.019 2.981 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 13 17.032 4.730 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.832 2.137 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.889 3.186 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 13 14.274 4.168 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.186 3.885 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.663 2.334 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.634 3.032 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.432 5.939 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.984 5.249 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.832 5.943 -3.958 1.00 0.00 H new ATOM 202 N LEU A 14 18.099 1.934 -6.676 1.00 0.00 N ATOM 203 CA LEU A 14 19.313 1.293 -7.207 1.00 0.00 C ATOM 204 C LEU A 14 19.968 2.204 -8.274 1.00 0.00 C ATOM 205 O LEU A 14 21.108 2.640 -8.101 1.00 0.00 O ATOM 206 CB LEU A 14 18.968 -0.121 -7.783 1.00 0.00 C ATOM 207 CG LEU A 14 20.188 -1.050 -8.143 1.00 0.00 C ATOM 208 CD1 LEU A 14 19.862 -2.531 -7.861 1.00 0.00 C ATOM 209 CD2 LEU A 14 20.643 -0.873 -9.612 1.00 0.00 C ATOM 0 H LEU A 14 17.231 1.531 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 14 20.033 1.153 -6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.345 -0.643 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.365 0.014 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 14 21.014 -0.744 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.722 -3.148 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.629 -2.657 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.004 -2.835 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.486 -1.534 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.819 -1.122 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.945 0.161 -9.777 1.00 0.00 H new ATOM 221 N GLU A 15 19.197 2.530 -9.330 1.00 0.00 N ATOM 222 CA GLU A 15 19.697 3.224 -10.544 1.00 0.00 C ATOM 223 C GLU A 15 20.301 4.601 -10.213 1.00 0.00 C ATOM 224 O GLU A 15 21.501 4.832 -10.389 1.00 0.00 O ATOM 225 CB GLU A 15 18.535 3.380 -11.582 1.00 0.00 C ATOM 226 CG GLU A 15 18.851 4.251 -12.836 1.00 0.00 C ATOM 227 CD GLU A 15 19.908 3.650 -13.791 1.00 0.00 C ATOM 228 OE1 GLU A 15 21.118 3.675 -13.467 1.00 0.00 O ATOM 229 OE2 GLU A 15 19.533 3.160 -14.877 1.00 0.00 O ATOM 0 H GLU A 15 18.200 2.319 -9.369 1.00 0.00 H new ATOM 0 HA GLU A 15 20.492 2.614 -10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.240 2.386 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.674 3.812 -11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.928 4.411 -13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.196 5.230 -12.504 1.00 0.00 H new ATOM 236 N HIS A 16 19.453 5.489 -9.699 1.00 0.00 N ATOM 237 CA HIS A 16 19.809 6.897 -9.437 1.00 0.00 C ATOM 238 C HIS A 16 20.545 7.023 -8.100 1.00 0.00 C ATOM 239 O HIS A 16 21.360 7.928 -7.899 1.00 0.00 O ATOM 240 CB HIS A 16 18.527 7.773 -9.421 1.00 0.00 C ATOM 241 CG HIS A 16 17.652 7.595 -10.639 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.947 8.153 -11.864 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.509 6.883 -10.821 1.00 0.00 C ATOM 244 CE1 HIS A 16 17.027 7.797 -12.743 1.00 0.00 C ATOM 245 NE2 HIS A 16 16.142 7.030 -12.134 1.00 0.00 N ATOM 0 H HIS A 16 18.492 5.258 -9.448 1.00 0.00 H new ATOM 0 HA HIS A 16 20.469 7.244 -10.232 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.946 7.534 -8.530 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.815 8.821 -9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.987 6.308 -10.071 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.003 8.085 -13.784 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.319 6.614 -12.569 1.00 0.00 H new ATOM 254 N GLY A 17 20.268 6.062 -7.214 1.00 0.00 N ATOM 255 CA GLY A 17 20.635 6.149 -5.811 1.00 0.00 C ATOM 256 C GLY A 17 19.416 6.498 -4.971 1.00 0.00 C ATOM 257 O GLY A 17 18.303 6.613 -5.505 1.00 0.00 O ATOM 0 H GLY A 17 19.780 5.200 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.056 5.200 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.408 6.906 -5.676 1.00 0.00 H new ATOM 261 N ARG A 18 19.605 6.713 -3.665 1.00 0.00 N ATOM 262 CA ARG A 18 18.500 7.022 -2.736 1.00 0.00 C ATOM 263 C ARG A 18 18.180 8.545 -2.739 1.00 0.00 C ATOM 264 O ARG A 18 17.732 9.111 -1.740 1.00 0.00 O ATOM 265 CB ARG A 18 18.880 6.488 -1.325 1.00 0.00 C ATOM 266 CG ARG A 18 17.699 6.346 -0.339 1.00 0.00 C ATOM 267 CD ARG A 18 18.108 5.709 0.998 1.00 0.00 C ATOM 268 NE ARG A 18 19.156 6.492 1.685 1.00 0.00 N ATOM 269 CZ ARG A 18 20.142 5.974 2.440 1.00 0.00 C ATOM 270 NH1 ARG A 18 20.256 4.664 2.596 1.00 0.00 N ATOM 271 NH2 ARG A 18 21.019 6.779 3.014 1.00 0.00 N ATOM 0 H ARG A 18 20.521 6.679 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 18 17.584 6.526 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.358 5.515 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.620 7.158 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.270 7.330 -0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.918 5.741 -0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.234 5.628 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.469 4.696 0.822 1.00 0.00 H new ATOM 0 HE ARG A 18 19.130 7.506 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.592 4.037 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.007 4.282 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.947 7.788 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.768 6.391 3.587 1.00 0.00 H new ATOM 285 N ASN A 19 18.374 9.179 -3.914 1.00 0.00 N ATOM 286 CA ASN A 19 18.175 10.621 -4.127 1.00 0.00 C ATOM 287 C ASN A 19 16.663 10.906 -4.193 1.00 0.00 C ATOM 288 O ASN A 19 16.078 10.866 -5.274 1.00 0.00 O ATOM 289 CB ASN A 19 18.883 11.066 -5.448 1.00 0.00 C ATOM 290 CG ASN A 19 20.357 10.654 -5.540 1.00 0.00 C ATOM 291 OD1 ASN A 19 21.052 10.523 -4.532 1.00 0.00 O ATOM 292 ND2 ASN A 19 20.840 10.448 -6.760 1.00 0.00 N ATOM 0 H ASN A 19 18.679 8.690 -4.755 1.00 0.00 H new ATOM 0 HA ASN A 19 18.611 11.187 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.345 10.642 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.814 12.150 -5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.814 10.172 -6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.237 10.565 -7.574 1.00 0.00 H new ATOM 299 N TRP A 20 16.048 11.159 -3.027 1.00 0.00 N ATOM 300 CA TRP A 20 14.579 11.176 -2.861 1.00 0.00 C ATOM 301 C TRP A 20 13.860 12.199 -3.759 1.00 0.00 C ATOM 302 O TRP A 20 12.687 12.010 -4.062 1.00 0.00 O ATOM 303 CB TRP A 20 14.201 11.420 -1.381 1.00 0.00 C ATOM 304 CG TRP A 20 14.579 10.282 -0.445 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.492 10.309 0.574 1.00 0.00 C ATOM 306 CD2 TRP A 20 14.036 8.948 -0.458 1.00 0.00 C ATOM 307 NE1 TRP A 20 15.530 9.091 1.202 1.00 0.00 N ATOM 308 CE2 TRP A 20 14.651 8.239 0.585 1.00 0.00 C ATOM 309 CE3 TRP A 20 13.084 8.286 -1.252 1.00 0.00 C ATOM 310 CZ2 TRP A 20 14.346 6.908 0.865 1.00 0.00 C ATOM 311 CZ3 TRP A 20 12.785 6.964 -0.974 1.00 0.00 C ATOM 312 CH2 TRP A 20 13.415 6.287 0.077 1.00 0.00 C ATOM 0 H TRP A 20 16.556 11.359 -2.165 1.00 0.00 H new ATOM 0 HA TRP A 20 14.236 10.191 -3.178 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.688 12.333 -1.039 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.126 11.588 -1.315 1.00 0.00 H new ATOM 0 HD1 TRP A 20 16.094 11.164 0.844 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.119 8.856 2.001 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.594 8.800 -2.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.828 6.384 1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.054 6.446 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.162 5.255 0.270 1.00 0.00 H new ATOM 323 N SER A 21 14.550 13.273 -4.164 1.00 0.00 N ATOM 324 CA SER A 21 13.973 14.286 -5.074 1.00 0.00 C ATOM 325 C SER A 21 13.777 13.691 -6.484 1.00 0.00 C ATOM 326 O SER A 21 12.728 13.893 -7.120 1.00 0.00 O ATOM 327 CB SER A 21 14.870 15.544 -5.113 1.00 0.00 C ATOM 328 OG SER A 21 14.342 16.557 -5.957 1.00 0.00 O ATOM 0 H SER A 21 15.510 13.468 -3.879 1.00 0.00 H new ATOM 0 HA SER A 21 12.994 14.584 -4.698 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.983 15.938 -4.103 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.865 15.267 -5.460 1.00 0.00 H new ATOM 0 HG SER A 21 14.940 17.333 -5.950 1.00 0.00 H new ATOM 334 N ALA A 22 14.784 12.929 -6.937 1.00 0.00 N ATOM 335 CA ALA A 22 14.764 12.258 -8.249 1.00 0.00 C ATOM 336 C ALA A 22 13.795 11.062 -8.243 1.00 0.00 C ATOM 337 O ALA A 22 13.033 10.856 -9.192 1.00 0.00 O ATOM 338 CB ALA A 22 16.179 11.794 -8.628 1.00 0.00 C ATOM 0 H ALA A 22 15.637 12.759 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 22 14.414 12.974 -8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.152 11.300 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.843 12.657 -8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.547 11.096 -7.876 1.00 0.00 H new ATOM 344 N ILE A 23 13.817 10.291 -7.144 1.00 0.00 N ATOM 345 CA ILE A 23 13.020 9.054 -7.008 1.00 0.00 C ATOM 346 C ILE A 23 11.525 9.386 -6.899 1.00 0.00 C ATOM 347 O ILE A 23 10.688 8.699 -7.474 1.00 0.00 O ATOM 348 CB ILE A 23 13.490 8.194 -5.770 1.00 0.00 C ATOM 349 CG1 ILE A 23 15.025 7.915 -5.862 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.686 6.866 -5.653 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.472 7.265 -7.154 1.00 0.00 C ATOM 0 H ILE A 23 14.386 10.504 -6.324 1.00 0.00 H new ATOM 0 HA ILE A 23 13.181 8.456 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 23 13.292 8.768 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.560 8.857 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.315 7.274 -5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.038 6.302 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.627 7.092 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.829 6.273 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.551 7.109 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.969 6.305 -7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.218 7.912 -7.994 1.00 0.00 H new ATOM 363 N ALA A 24 11.215 10.477 -6.196 1.00 0.00 N ATOM 364 CA ALA A 24 9.831 10.951 -6.027 1.00 0.00 C ATOM 365 C ALA A 24 9.294 11.626 -7.299 1.00 0.00 C ATOM 366 O ALA A 24 8.084 11.762 -7.458 1.00 0.00 O ATOM 367 CB ALA A 24 9.741 11.901 -4.849 1.00 0.00 C ATOM 0 H ALA A 24 11.910 11.058 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 24 9.208 10.078 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.712 12.244 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.054 11.385 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.392 12.758 -5.022 1.00 0.00 H new ATOM 373 N ARG A 25 10.206 12.110 -8.164 1.00 0.00 N ATOM 374 CA ARG A 25 9.852 12.628 -9.501 1.00 0.00 C ATOM 375 C ARG A 25 9.707 11.456 -10.506 1.00 0.00 C ATOM 376 O ARG A 25 8.980 11.558 -11.501 1.00 0.00 O ATOM 377 CB ARG A 25 10.915 13.657 -9.986 1.00 0.00 C ATOM 378 CG ARG A 25 10.535 14.415 -11.283 1.00 0.00 C ATOM 379 CD ARG A 25 11.635 15.377 -11.766 1.00 0.00 C ATOM 380 NE ARG A 25 12.879 14.656 -12.112 1.00 0.00 N ATOM 381 CZ ARG A 25 13.740 14.998 -13.081 1.00 0.00 C ATOM 382 NH1 ARG A 25 13.554 16.092 -13.810 1.00 0.00 N ATOM 383 NH2 ARG A 25 14.804 14.240 -13.298 1.00 0.00 N ATOM 0 H ARG A 25 11.204 12.153 -7.958 1.00 0.00 H new ATOM 0 HA ARG A 25 8.894 13.143 -9.438 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.086 14.385 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.858 13.136 -10.149 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.322 13.692 -12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.618 14.978 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.280 15.928 -12.637 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.844 16.111 -10.988 1.00 0.00 H new ATOM 0 HE ARG A 25 13.102 13.825 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.745 16.689 -13.637 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.220 16.336 -14.543 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.961 13.407 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.467 14.489 -14.032 1.00 0.00 H new ATOM 397 N MET A 26 10.406 10.340 -10.223 1.00 0.00 N ATOM 398 CA MET A 26 10.383 9.128 -11.065 1.00 0.00 C ATOM 399 C MET A 26 9.070 8.346 -10.856 1.00 0.00 C ATOM 400 O MET A 26 8.284 8.178 -11.795 1.00 0.00 O ATOM 401 CB MET A 26 11.619 8.242 -10.720 1.00 0.00 C ATOM 402 CG MET A 26 11.708 6.891 -11.447 1.00 0.00 C ATOM 403 SD MET A 26 13.178 5.952 -10.959 1.00 0.00 S ATOM 404 CE MET A 26 12.920 4.393 -11.809 1.00 0.00 C ATOM 0 H MET A 26 11.004 10.253 -9.402 1.00 0.00 H new ATOM 0 HA MET A 26 10.432 9.416 -12.115 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.522 8.811 -10.942 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.617 8.054 -9.646 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.815 6.304 -11.232 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.727 7.059 -12.524 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.799 3.760 -11.684 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.048 3.890 -11.390 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.756 4.580 -12.870 1.00 0.00 H new ATOM 414 N VAL A 27 8.830 7.903 -9.607 1.00 0.00 N ATOM 415 CA VAL A 27 7.683 7.041 -9.266 1.00 0.00 C ATOM 416 C VAL A 27 6.408 7.872 -8.970 1.00 0.00 C ATOM 417 O VAL A 27 5.335 7.567 -9.497 1.00 0.00 O ATOM 418 CB VAL A 27 8.027 6.051 -8.073 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.279 5.202 -8.416 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.225 6.773 -6.716 1.00 0.00 C ATOM 0 H VAL A 27 9.423 8.132 -8.809 1.00 0.00 H new ATOM 0 HA VAL A 27 7.471 6.428 -10.142 1.00 0.00 H new ATOM 0 HB VAL A 27 7.162 5.398 -7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.500 4.529 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.087 4.618 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.130 5.861 -8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.457 6.039 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.046 7.485 -6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.311 7.303 -6.449 1.00 0.00 H new ATOM 430 N GLY A 28 6.546 8.923 -8.131 1.00 0.00 N ATOM 431 CA GLY A 28 5.419 9.775 -7.730 1.00 0.00 C ATOM 432 C GLY A 28 5.094 10.858 -8.757 1.00 0.00 C ATOM 433 O GLY A 28 3.921 11.136 -9.025 1.00 0.00 O ATOM 0 H GLY A 28 7.438 9.198 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.538 9.153 -7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.649 10.246 -6.774 1.00 0.00 H new ATOM 437 N SER A 29 6.169 11.470 -9.312 1.00 0.00 N ATOM 438 CA SER A 29 6.112 12.644 -10.217 1.00 0.00 C ATOM 439 C SER A 29 5.377 13.847 -9.568 1.00 0.00 C ATOM 440 O SER A 29 4.902 14.748 -10.267 1.00 0.00 O ATOM 441 CB SER A 29 5.493 12.241 -11.586 1.00 0.00 C ATOM 442 OG SER A 29 5.599 13.283 -12.548 1.00 0.00 O ATOM 0 H SER A 29 7.123 11.153 -9.138 1.00 0.00 H new ATOM 0 HA SER A 29 7.132 12.981 -10.399 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.994 11.349 -11.962 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.443 11.982 -11.447 1.00 0.00 H new ATOM 0 HG SER A 29 5.385 14.141 -12.126 1.00 0.00 H new ATOM 448 N LYS A 30 5.338 13.891 -8.211 1.00 0.00 N ATOM 449 CA LYS A 30 4.534 14.882 -7.460 1.00 0.00 C ATOM 450 C LYS A 30 5.326 15.489 -6.272 1.00 0.00 C ATOM 451 O LYS A 30 5.699 16.668 -6.320 1.00 0.00 O ATOM 452 CB LYS A 30 3.189 14.238 -6.979 1.00 0.00 C ATOM 453 CG LYS A 30 2.192 13.901 -8.124 1.00 0.00 C ATOM 454 CD LYS A 30 0.924 13.156 -7.648 1.00 0.00 C ATOM 455 CE LYS A 30 0.079 13.966 -6.645 1.00 0.00 C ATOM 456 NZ LYS A 30 -1.120 13.212 -6.199 1.00 0.00 N ATOM 0 H LYS A 30 5.858 13.247 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 30 4.301 15.705 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.414 13.324 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.704 14.919 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.895 14.826 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.702 13.291 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.310 12.910 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.217 12.213 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.690 14.223 -5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.232 14.904 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.663 13.790 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.716 12.989 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.823 12.329 -5.737 1.00 0.00 H new ATOM 470 N THR A 31 5.606 14.680 -5.222 1.00 0.00 N ATOM 471 CA THR A 31 6.150 15.200 -3.940 1.00 0.00 C ATOM 472 C THR A 31 7.341 14.362 -3.423 1.00 0.00 C ATOM 473 O THR A 31 7.240 13.134 -3.329 1.00 0.00 O ATOM 474 CB THR A 31 5.025 15.239 -2.857 1.00 0.00 C ATOM 475 OG1 THR A 31 3.919 16.024 -3.335 1.00 0.00 O ATOM 476 CG2 THR A 31 5.518 15.822 -1.518 1.00 0.00 C ATOM 0 H THR A 31 5.466 13.670 -5.235 1.00 0.00 H new ATOM 0 HA THR A 31 6.517 16.208 -4.132 1.00 0.00 H new ATOM 0 HB THR A 31 4.715 14.210 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.214 16.045 -2.654 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.698 15.827 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.334 15.210 -1.133 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.871 16.842 -1.673 1.00 0.00 H new ATOM 484 N VAL A 32 8.438 15.068 -3.045 1.00 0.00 N ATOM 485 CA VAL A 32 9.674 14.464 -2.477 1.00 0.00 C ATOM 486 C VAL A 32 9.392 13.765 -1.135 1.00 0.00 C ATOM 487 O VAL A 32 9.880 12.645 -0.886 1.00 0.00 O ATOM 488 CB VAL A 32 10.814 15.534 -2.291 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.114 14.922 -1.685 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.114 16.259 -3.627 1.00 0.00 C ATOM 0 H VAL A 32 8.491 16.083 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 32 10.016 13.719 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 32 10.446 16.267 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.868 15.702 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.893 14.494 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.491 14.142 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.905 16.993 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.435 15.531 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.214 16.764 -3.977 1.00 0.00 H new ATOM 500 N SER A 33 8.585 14.441 -0.294 1.00 0.00 N ATOM 501 CA SER A 33 8.180 13.943 1.032 1.00 0.00 C ATOM 502 C SER A 33 7.494 12.564 0.916 1.00 0.00 C ATOM 503 O SER A 33 7.831 11.655 1.646 1.00 0.00 O ATOM 504 CB SER A 33 7.213 14.951 1.698 1.00 0.00 C ATOM 505 OG SER A 33 7.737 16.270 1.685 1.00 0.00 O ATOM 0 H SER A 33 8.194 15.356 -0.519 1.00 0.00 H new ATOM 0 HA SER A 33 9.074 13.834 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.256 14.935 1.177 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.021 14.646 2.727 1.00 0.00 H new ATOM 0 HG SER A 33 7.099 16.880 2.112 1.00 0.00 H new ATOM 511 N GLN A 34 6.594 12.420 -0.070 1.00 0.00 N ATOM 512 CA GLN A 34 5.733 11.223 -0.228 1.00 0.00 C ATOM 513 C GLN A 34 6.541 9.904 -0.361 1.00 0.00 C ATOM 514 O GLN A 34 6.224 8.901 0.298 1.00 0.00 O ATOM 515 CB GLN A 34 4.801 11.433 -1.450 1.00 0.00 C ATOM 516 CG GLN A 34 3.816 10.282 -1.732 1.00 0.00 C ATOM 517 CD GLN A 34 2.815 10.615 -2.839 1.00 0.00 C ATOM 518 OE1 GLN A 34 3.060 10.366 -4.021 1.00 0.00 O ATOM 519 NE2 GLN A 34 1.684 11.196 -2.462 1.00 0.00 N ATOM 0 H GLN A 34 6.438 13.130 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 34 5.141 11.113 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.230 12.349 -1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.418 11.586 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.377 9.390 -2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.273 10.043 -0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.514 11.388 -1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.985 11.451 -3.159 1.00 0.00 H new ATOM 528 N CYS A 35 7.595 9.934 -1.195 1.00 0.00 N ATOM 529 CA CYS A 35 8.443 8.747 -1.458 1.00 0.00 C ATOM 530 C CYS A 35 9.417 8.480 -0.292 1.00 0.00 C ATOM 531 O CYS A 35 9.731 7.322 0.008 1.00 0.00 O ATOM 532 CB CYS A 35 9.219 8.922 -2.778 1.00 0.00 C ATOM 533 SG CYS A 35 10.171 7.472 -3.282 1.00 0.00 S ATOM 0 H CYS A 35 7.885 10.770 -1.703 1.00 0.00 H new ATOM 0 HA CYS A 35 7.786 7.882 -1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.513 9.171 -3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.897 9.770 -2.677 1.00 0.00 H new ATOM 0 HG CYS A 35 11.372 7.549 -2.791 1.00 0.00 H new ATOM 539 N LYS A 36 9.880 9.566 0.362 1.00 0.00 N ATOM 540 CA LYS A 36 10.840 9.487 1.486 1.00 0.00 C ATOM 541 C LYS A 36 10.167 8.894 2.741 1.00 0.00 C ATOM 542 O LYS A 36 10.709 8.000 3.387 1.00 0.00 O ATOM 543 CB LYS A 36 11.400 10.894 1.820 1.00 0.00 C ATOM 544 CG LYS A 36 12.468 10.899 2.948 1.00 0.00 C ATOM 545 CD LYS A 36 12.724 12.301 3.535 1.00 0.00 C ATOM 546 CE LYS A 36 11.474 12.897 4.214 1.00 0.00 C ATOM 547 NZ LYS A 36 11.783 14.152 4.935 1.00 0.00 N ATOM 0 H LYS A 36 9.601 10.519 0.128 1.00 0.00 H new ATOM 0 HA LYS A 36 11.659 8.835 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.837 11.323 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.574 11.542 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.147 10.231 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.403 10.500 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.535 12.244 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.054 12.969 2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.709 13.089 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.059 12.170 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.917 14.521 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.494 13.964 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.155 14.855 4.265 1.00 0.00 H new ATOM 561 N ASN A 37 8.970 9.416 3.046 1.00 0.00 N ATOM 562 CA ASN A 37 8.182 9.071 4.250 1.00 0.00 C ATOM 563 C ASN A 37 7.814 7.579 4.269 1.00 0.00 C ATOM 564 O ASN A 37 7.756 6.971 5.340 1.00 0.00 O ATOM 565 CB ASN A 37 6.903 9.955 4.318 1.00 0.00 C ATOM 566 CG ASN A 37 7.178 11.433 4.653 1.00 0.00 C ATOM 567 OD1 ASN A 37 8.270 11.959 4.416 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.179 12.121 5.183 1.00 0.00 N ATOM 0 H ASN A 37 8.508 10.105 2.453 1.00 0.00 H new ATOM 0 HA ASN A 37 8.796 9.268 5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.385 9.901 3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.229 9.543 5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.302 13.109 5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.287 11.663 5.369 1.00 0.00 H new ATOM 575 N PHE A 38 7.603 7.009 3.060 1.00 0.00 N ATOM 576 CA PHE A 38 7.341 5.558 2.843 1.00 0.00 C ATOM 577 C PHE A 38 8.356 4.677 3.605 1.00 0.00 C ATOM 578 O PHE A 38 7.980 3.713 4.291 1.00 0.00 O ATOM 579 CB PHE A 38 7.428 5.255 1.314 1.00 0.00 C ATOM 580 CG PHE A 38 7.551 3.772 0.934 1.00 0.00 C ATOM 581 CD1 PHE A 38 6.658 2.818 1.423 1.00 0.00 C ATOM 582 CD2 PHE A 38 8.586 3.333 0.099 1.00 0.00 C ATOM 583 CE1 PHE A 38 6.792 1.486 1.095 1.00 0.00 C ATOM 584 CE2 PHE A 38 8.713 1.999 -0.230 1.00 0.00 C ATOM 585 CZ PHE A 38 7.818 1.077 0.274 1.00 0.00 C ATOM 0 H PHE A 38 7.609 7.547 2.193 1.00 0.00 H new ATOM 0 HA PHE A 38 6.347 5.324 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.540 5.662 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.286 5.788 0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.849 3.128 2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.294 4.048 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.091 0.762 1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.512 1.677 -0.881 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.923 0.032 0.023 1.00 0.00 H new ATOM 595 N TYR A 39 9.627 5.069 3.488 1.00 0.00 N ATOM 596 CA TYR A 39 10.780 4.340 4.042 1.00 0.00 C ATOM 597 C TYR A 39 10.659 4.168 5.577 1.00 0.00 C ATOM 598 O TYR A 39 11.124 3.171 6.147 1.00 0.00 O ATOM 599 CB TYR A 39 12.071 5.120 3.672 1.00 0.00 C ATOM 600 CG TYR A 39 13.358 4.309 3.752 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.680 3.418 2.734 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.252 4.435 4.820 1.00 0.00 C ATOM 603 CE1 TYR A 39 14.841 2.678 2.778 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.419 3.692 4.866 1.00 0.00 C ATOM 605 CZ TYR A 39 15.710 2.812 3.839 1.00 0.00 C ATOM 606 OH TYR A 39 16.873 2.067 3.870 1.00 0.00 O ATOM 0 H TYR A 39 9.894 5.921 2.995 1.00 0.00 H new ATOM 0 HA TYR A 39 10.814 3.337 3.616 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.966 5.507 2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.160 5.981 4.335 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.009 3.304 1.895 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.028 5.123 5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.071 1.990 1.978 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.098 3.799 5.699 1.00 0.00 H new ATOM 0 HH TYR A 39 17.376 2.279 4.684 1.00 0.00 H new ATOM 616 N PHE A 40 10.002 5.151 6.214 1.00 0.00 N ATOM 617 CA PHE A 40 9.866 5.246 7.678 1.00 0.00 C ATOM 618 C PHE A 40 8.469 4.788 8.159 1.00 0.00 C ATOM 619 O PHE A 40 8.308 4.454 9.336 1.00 0.00 O ATOM 620 CB PHE A 40 10.167 6.705 8.119 1.00 0.00 C ATOM 621 CG PHE A 40 11.553 7.179 7.678 1.00 0.00 C ATOM 622 CD1 PHE A 40 12.673 6.976 8.485 1.00 0.00 C ATOM 623 CD2 PHE A 40 11.742 7.796 6.440 1.00 0.00 C ATOM 624 CE1 PHE A 40 13.929 7.377 8.071 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.998 8.200 6.028 1.00 0.00 C ATOM 626 CZ PHE A 40 14.092 7.990 6.844 1.00 0.00 C ATOM 0 H PHE A 40 9.543 5.915 5.718 1.00 0.00 H new ATOM 0 HA PHE A 40 10.585 4.572 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.410 7.370 7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.091 6.776 9.204 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.557 6.499 9.447 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.893 7.960 5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 40 14.785 7.211 8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 40 13.124 8.680 5.069 1.00 0.00 H new ATOM 0 HZ PHE A 40 15.074 8.305 6.523 1.00 0.00 H new ATOM 770 N LEU A 48 16.593 -2.077 1.910 1.00 0.00 N ATOM 771 CA LEU A 48 16.885 -1.253 0.731 1.00 0.00 C ATOM 772 C LEU A 48 18.344 -0.739 0.824 1.00 0.00 C ATOM 773 O LEU A 48 18.935 -0.303 -0.171 1.00 0.00 O ATOM 774 CB LEU A 48 15.807 -0.116 0.707 1.00 0.00 C ATOM 775 CG LEU A 48 15.742 0.878 -0.503 1.00 0.00 C ATOM 776 CD1 LEU A 48 16.730 2.054 -0.362 1.00 0.00 C ATOM 777 CD2 LEU A 48 15.912 0.140 -1.839 1.00 0.00 C ATOM 0 HA LEU A 48 16.825 -1.802 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.830 -0.594 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.945 0.480 1.609 1.00 0.00 H new ATOM 0 HG LEU A 48 14.746 1.321 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.641 2.710 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.500 2.616 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.748 1.669 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.862 0.856 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.878 -0.364 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.116 -0.596 -1.952 1.00 0.00 H new ATOM 789 N ASP A 49 18.906 -0.829 2.046 1.00 0.00 N ATOM 790 CA ASP A 49 20.320 -0.539 2.338 1.00 0.00 C ATOM 791 C ASP A 49 21.266 -1.368 1.443 1.00 0.00 C ATOM 792 O ASP A 49 22.240 -0.829 0.902 1.00 0.00 O ATOM 793 CB ASP A 49 20.589 -0.840 3.837 1.00 0.00 C ATOM 794 CG ASP A 49 22.064 -0.680 4.272 1.00 0.00 C ATOM 795 OD1 ASP A 49 22.479 0.452 4.597 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.804 -1.695 4.329 1.00 0.00 O ATOM 0 H ASP A 49 18.378 -1.111 2.872 1.00 0.00 H new ATOM 0 HA ASP A 49 20.517 0.512 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.971 -0.177 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.269 -1.860 4.052 1.00 0.00 H new ATOM 801 N GLU A 50 20.947 -2.673 1.268 1.00 0.00 N ATOM 802 CA GLU A 50 21.789 -3.594 0.469 1.00 0.00 C ATOM 803 C GLU A 50 21.646 -3.316 -1.038 1.00 0.00 C ATOM 804 O GLU A 50 22.545 -3.630 -1.796 1.00 0.00 O ATOM 805 CB GLU A 50 21.486 -5.089 0.797 1.00 0.00 C ATOM 806 CG GLU A 50 20.122 -5.616 0.308 1.00 0.00 C ATOM 807 CD GLU A 50 19.837 -7.073 0.726 1.00 0.00 C ATOM 808 OE1 GLU A 50 19.308 -7.293 1.836 1.00 0.00 O ATOM 809 OE2 GLU A 50 20.143 -8.003 -0.054 1.00 0.00 O ATOM 0 H GLU A 50 20.116 -3.110 1.668 1.00 0.00 H new ATOM 0 HA GLU A 50 22.826 -3.405 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 50 22.271 -5.705 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 50 21.541 -5.224 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.333 -4.974 0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.083 -5.544 -0.779 1.00 0.00 H new ATOM 816 N ILE A 51 20.514 -2.710 -1.455 1.00 0.00 N ATOM 817 CA ILE A 51 20.286 -2.289 -2.863 1.00 0.00 C ATOM 818 C ILE A 51 21.295 -1.182 -3.241 1.00 0.00 C ATOM 819 O ILE A 51 21.949 -1.242 -4.295 1.00 0.00 O ATOM 820 CB ILE A 51 18.789 -1.811 -3.092 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.804 -3.021 -3.242 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.633 -0.843 -4.286 1.00 0.00 C ATOM 823 CD1 ILE A 51 17.601 -3.856 -2.001 1.00 0.00 C ATOM 0 H ILE A 51 19.734 -2.498 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 51 20.445 -3.148 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 51 18.524 -1.256 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 51 16.835 -2.639 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.172 -3.669 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.586 -0.555 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.239 0.047 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.963 -1.336 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.902 -4.664 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 51 18.556 -4.276 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.198 -3.231 -1.204 1.00 0.00 H new ATOM 835 N LEU A 52 21.421 -0.195 -2.344 1.00 0.00 N ATOM 836 CA LEU A 52 22.387 0.909 -2.483 1.00 0.00 C ATOM 837 C LEU A 52 23.832 0.390 -2.373 1.00 0.00 C ATOM 838 O LEU A 52 24.710 0.835 -3.116 1.00 0.00 O ATOM 839 CB LEU A 52 22.108 2.020 -1.415 1.00 0.00 C ATOM 840 CG LEU A 52 21.099 3.136 -1.819 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.665 3.991 -2.964 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.729 2.549 -2.187 1.00 0.00 C ATOM 0 H LEU A 52 20.855 -0.137 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 52 22.264 1.349 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.739 1.538 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 52 23.056 2.494 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 52 20.952 3.783 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.945 4.764 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.596 4.458 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.856 3.358 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.050 3.356 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.841 1.864 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.322 2.010 -1.331 1.00 0.00 H new ATOM 854 N GLN A 53 24.047 -0.581 -1.465 1.00 0.00 N ATOM 855 CA GLN A 53 25.376 -1.160 -1.196 1.00 0.00 C ATOM 856 C GLN A 53 25.888 -1.968 -2.405 1.00 0.00 C ATOM 857 O GLN A 53 27.067 -1.857 -2.757 1.00 0.00 O ATOM 858 CB GLN A 53 25.339 -2.026 0.094 1.00 0.00 C ATOM 859 CG GLN A 53 26.671 -2.725 0.458 1.00 0.00 C ATOM 860 CD GLN A 53 27.887 -1.783 0.593 1.00 0.00 C ATOM 861 OE1 GLN A 53 27.760 -0.617 0.956 1.00 0.00 O ATOM 862 NE2 GLN A 53 29.071 -2.295 0.298 1.00 0.00 N ATOM 0 H GLN A 53 23.303 -0.986 -0.897 1.00 0.00 H new ATOM 0 HA GLN A 53 26.079 -0.343 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.040 -1.392 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.567 -2.787 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.538 -3.259 1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.892 -3.472 -0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.146 -3.267 -0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.909 -1.717 0.370 1.00 0.00 H new ATOM 871 N GLN A 54 24.997 -2.749 -3.053 1.00 0.00 N ATOM 872 CA GLN A 54 25.358 -3.533 -4.260 1.00 0.00 C ATOM 873 C GLN A 54 25.715 -2.583 -5.408 1.00 0.00 C ATOM 874 O GLN A 54 26.766 -2.726 -6.027 1.00 0.00 O ATOM 875 CB GLN A 54 24.229 -4.504 -4.704 1.00 0.00 C ATOM 876 CG GLN A 54 23.879 -5.621 -3.694 1.00 0.00 C ATOM 877 CD GLN A 54 24.975 -6.667 -3.440 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.176 -6.388 -3.510 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.565 -7.879 -3.096 1.00 0.00 N ATOM 0 H GLN A 54 24.025 -2.855 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 54 26.221 -4.146 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.329 -3.922 -4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.522 -4.968 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.621 -5.156 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.987 -6.137 -4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.567 -8.085 -3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.247 -8.606 -2.882 1.00 0.00 H new ATOM 888 N HIS A 55 24.855 -1.572 -5.626 1.00 0.00 N ATOM 889 CA HIS A 55 25.071 -0.550 -6.664 1.00 0.00 C ATOM 890 C HIS A 55 26.369 0.249 -6.390 1.00 0.00 C ATOM 891 O HIS A 55 27.024 0.688 -7.325 1.00 0.00 O ATOM 892 CB HIS A 55 23.850 0.402 -6.748 1.00 0.00 C ATOM 893 CG HIS A 55 23.933 1.398 -7.882 1.00 0.00 C ATOM 894 ND1 HIS A 55 24.272 2.724 -7.705 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.729 1.244 -9.216 1.00 0.00 C ATOM 896 CE1 HIS A 55 24.271 3.338 -8.874 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.947 2.463 -9.808 1.00 0.00 N ATOM 0 H HIS A 55 23.996 -1.441 -5.091 1.00 0.00 H new ATOM 0 HA HIS A 55 25.182 -1.055 -7.623 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.944 -0.193 -6.864 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.757 0.944 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.447 0.330 -9.718 1.00 0.00 H new ATOM 0 HE1 HIS A 55 24.497 4.381 -9.039 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.871 2.660 -10.806 1.00 0.00 H new ATOM 906 N LYS A 56 26.730 0.389 -5.096 1.00 0.00 N ATOM 907 CA LYS A 56 27.928 1.136 -4.647 1.00 0.00 C ATOM 908 C LYS A 56 29.229 0.390 -5.016 1.00 0.00 C ATOM 909 O LYS A 56 30.122 0.968 -5.645 1.00 0.00 O ATOM 910 CB LYS A 56 27.853 1.371 -3.108 1.00 0.00 C ATOM 911 CG LYS A 56 29.056 2.125 -2.495 1.00 0.00 C ATOM 912 CD LYS A 56 28.949 2.298 -0.958 1.00 0.00 C ATOM 913 CE LYS A 56 30.149 3.064 -0.360 1.00 0.00 C ATOM 914 NZ LYS A 56 30.026 3.257 1.109 1.00 0.00 N ATOM 0 H LYS A 56 26.195 -0.016 -4.327 1.00 0.00 H new ATOM 0 HA LYS A 56 27.945 2.098 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.944 1.930 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.761 0.404 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 56 29.973 1.585 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.136 3.108 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.028 2.830 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 56 28.880 1.316 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.068 2.519 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.234 4.036 -0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 30.856 3.776 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 29.164 3.800 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 29.972 2.330 1.578 1.00 0.00 H new ATOM 928 N LEU A 57 29.312 -0.903 -4.639 1.00 0.00 N ATOM 929 CA LEU A 57 30.526 -1.733 -4.854 1.00 0.00 C ATOM 930 C LEU A 57 30.707 -2.094 -6.345 1.00 0.00 C ATOM 931 O LEU A 57 31.839 -2.297 -6.810 1.00 0.00 O ATOM 932 CB LEU A 57 30.509 -2.993 -3.921 1.00 0.00 C ATOM 933 CG LEU A 57 29.220 -3.900 -3.928 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.188 -4.893 -5.102 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.029 -4.635 -2.577 1.00 0.00 C ATOM 0 H LEU A 57 28.549 -1.402 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 57 31.400 -1.144 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.360 -3.619 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.673 -2.654 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 57 28.379 -3.221 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 57 28.276 -5.488 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.211 -4.344 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.055 -5.552 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.130 -5.250 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 57 29.894 -5.270 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 57 28.929 -3.903 -1.776 1.00 0.00 H new ATOM 947 N LYS A 58 29.583 -2.157 -7.088 1.00 0.00 N ATOM 948 CA LYS A 58 29.602 -2.368 -8.547 1.00 0.00 C ATOM 949 C LYS A 58 30.066 -1.088 -9.249 1.00 0.00 C ATOM 950 O LYS A 58 30.860 -1.151 -10.179 1.00 0.00 O ATOM 951 CB LYS A 58 28.214 -2.811 -9.078 1.00 0.00 C ATOM 952 CG LYS A 58 27.761 -4.199 -8.576 1.00 0.00 C ATOM 953 CD LYS A 58 26.316 -4.555 -8.993 1.00 0.00 C ATOM 954 CE LYS A 58 25.828 -5.865 -8.347 1.00 0.00 C ATOM 955 NZ LYS A 58 24.422 -6.177 -8.709 1.00 0.00 N ATOM 0 H LYS A 58 28.646 -2.064 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 58 30.304 -3.172 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.471 -2.070 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 58 28.240 -2.821 -10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 58 28.441 -4.958 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 58 27.836 -4.227 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 58 25.648 -3.742 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.265 -4.646 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.473 -6.686 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.914 -5.788 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.135 -7.066 -8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.802 -5.407 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.343 -6.277 -9.741 1.00 0.00 H new ATOM 969 N MET A 59 29.587 0.068 -8.747 1.00 0.00 N ATOM 970 CA MET A 59 29.954 1.412 -9.266 1.00 0.00 C ATOM 971 C MET A 59 31.475 1.634 -9.217 1.00 0.00 C ATOM 972 O MET A 59 32.046 2.253 -10.111 1.00 0.00 O ATOM 973 CB MET A 59 29.233 2.505 -8.438 1.00 0.00 C ATOM 974 CG MET A 59 29.524 3.964 -8.830 1.00 0.00 C ATOM 975 SD MET A 59 28.715 5.139 -7.718 1.00 0.00 S ATOM 976 CE MET A 59 29.514 4.776 -6.150 1.00 0.00 C ATOM 0 H MET A 59 28.931 0.102 -7.966 1.00 0.00 H new ATOM 0 HA MET A 59 29.639 1.474 -10.308 1.00 0.00 H new ATOM 0 HB2 MET A 59 28.159 2.339 -8.515 1.00 0.00 H new ATOM 0 HB3 MET A 59 29.502 2.373 -7.390 1.00 0.00 H new ATOM 0 HG2 MET A 59 30.600 4.135 -8.817 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.186 4.139 -9.851 1.00 0.00 H new ATOM 0 HE1 MET A 59 29.757 5.709 -5.641 1.00 0.00 H new ATOM 0 HE2 MET A 59 28.841 4.187 -5.527 1.00 0.00 H new ATOM 0 HE3 MET A 59 30.429 4.212 -6.330 1.00 0.00 H new ATOM 986 N GLU A 60 32.112 1.101 -8.160 1.00 0.00 N ATOM 987 CA GLU A 60 33.570 1.172 -7.983 1.00 0.00 C ATOM 988 C GLU A 60 34.288 0.309 -9.030 1.00 0.00 C ATOM 989 O GLU A 60 35.055 0.828 -9.838 1.00 0.00 O ATOM 990 CB GLU A 60 33.962 0.721 -6.555 1.00 0.00 C ATOM 991 CG GLU A 60 33.362 1.579 -5.429 1.00 0.00 C ATOM 992 CD GLU A 60 33.749 3.071 -5.516 1.00 0.00 C ATOM 993 OE1 GLU A 60 34.852 3.434 -5.051 1.00 0.00 O ATOM 994 OE2 GLU A 60 32.948 3.888 -6.022 1.00 0.00 O ATOM 0 H GLU A 60 31.630 0.610 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 60 33.881 2.208 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 60 33.646 -0.313 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 60 35.048 0.737 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.276 1.492 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.689 1.183 -4.468 1.00 0.00 H new ATOM 1001 N LYS A 61 33.974 -1.004 -9.039 1.00 0.00 N ATOM 1002 CA LYS A 61 34.713 -1.996 -9.844 1.00 0.00 C ATOM 1003 C LYS A 61 34.552 -1.746 -11.364 1.00 0.00 C ATOM 1004 O LYS A 61 35.492 -1.978 -12.123 1.00 0.00 O ATOM 1005 CB LYS A 61 34.288 -3.447 -9.476 1.00 0.00 C ATOM 1006 CG LYS A 61 32.830 -3.809 -9.837 1.00 0.00 C ATOM 1007 CD LYS A 61 32.508 -5.308 -9.634 1.00 0.00 C ATOM 1008 CE LYS A 61 31.076 -5.674 -10.075 1.00 0.00 C ATOM 1009 NZ LYS A 61 30.840 -7.146 -10.065 1.00 0.00 N ATOM 0 H LYS A 61 33.209 -1.402 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 61 35.770 -1.877 -9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.956 -4.145 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.428 -3.590 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.152 -3.212 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.642 -3.541 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.222 -5.908 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.637 -5.564 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.359 -5.189 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.897 -5.286 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.865 -7.343 -10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.506 -7.609 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.985 -7.514 -9.103 1.00 0.00 H new ATOM 1023 N GLU A 62 33.366 -1.254 -11.785 1.00 0.00 N ATOM 1024 CA GLU A 62 33.067 -0.994 -13.217 1.00 0.00 C ATOM 1025 C GLU A 62 33.739 0.307 -13.688 1.00 0.00 C ATOM 1026 O GLU A 62 34.147 0.410 -14.843 1.00 0.00 O ATOM 1027 CB GLU A 62 31.527 -0.946 -13.484 1.00 0.00 C ATOM 1028 CG GLU A 62 30.796 0.300 -12.940 1.00 0.00 C ATOM 1029 CD GLU A 62 29.271 0.237 -13.123 1.00 0.00 C ATOM 1030 OE1 GLU A 62 28.790 0.447 -14.257 1.00 0.00 O ATOM 1031 OE2 GLU A 62 28.543 -0.034 -12.144 1.00 0.00 O ATOM 0 H GLU A 62 32.597 -1.028 -11.155 1.00 0.00 H new ATOM 0 HA GLU A 62 33.477 -1.824 -13.793 1.00 0.00 H new ATOM 0 HB2 GLU A 62 31.361 -1.002 -14.560 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.072 -1.833 -13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 62 31.024 0.413 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.179 1.187 -13.444 1.00 0.00 H new ATOM 1038 N ARG A 63 33.860 1.288 -12.768 1.00 0.00 N ATOM 1039 CA ARG A 63 34.489 2.591 -13.051 1.00 0.00 C ATOM 1040 C ARG A 63 36.016 2.424 -13.126 1.00 0.00 C ATOM 1041 O ARG A 63 36.681 3.051 -13.951 1.00 0.00 O ATOM 1042 CB ARG A 63 34.058 3.622 -11.972 1.00 0.00 C ATOM 1043 CG ARG A 63 34.591 5.056 -12.157 1.00 0.00 C ATOM 1044 CD ARG A 63 33.805 6.100 -11.330 1.00 0.00 C ATOM 1045 NE ARG A 63 33.750 5.781 -9.886 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.236 6.589 -8.940 1.00 0.00 C ATOM 1047 NH1 ARG A 63 32.783 7.805 -9.237 1.00 0.00 N ATOM 1048 NH2 ARG A 63 33.197 6.181 -7.692 1.00 0.00 N ATOM 0 H ARG A 63 33.524 1.197 -11.809 1.00 0.00 H new ATOM 0 HA ARG A 63 34.156 2.970 -14.017 1.00 0.00 H new ATOM 0 HB2 ARG A 63 32.969 3.661 -11.949 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.384 3.257 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.642 5.088 -11.869 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.541 5.324 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 63 34.266 7.079 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 63 32.789 6.171 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 63 34.129 4.883 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.821 8.143 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 63 32.398 8.399 -8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 63 33.555 5.258 -7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.809 6.787 -6.969 1.00 0.00 H new ATOM 1062 N ASN A 64 36.537 1.521 -12.282 1.00 0.00 N ATOM 1063 CA ASN A 64 37.950 1.114 -12.294 1.00 0.00 C ATOM 1064 C ASN A 64 38.254 0.249 -13.534 1.00 0.00 C ATOM 1065 O ASN A 64 39.349 0.312 -14.068 1.00 0.00 O ATOM 1066 CB ASN A 64 38.318 0.347 -10.985 1.00 0.00 C ATOM 1067 CG ASN A 64 38.325 1.223 -9.721 1.00 0.00 C ATOM 1068 OD1 ASN A 64 37.557 2.180 -9.598 1.00 0.00 O ATOM 1069 ND2 ASN A 64 39.209 0.911 -8.777 1.00 0.00 N ATOM 0 H ASN A 64 35.985 1.049 -11.566 1.00 0.00 H new ATOM 0 HA ASN A 64 38.563 2.014 -12.343 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.609 -0.469 -10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 64 39.303 -0.104 -11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 64 39.264 1.469 -7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 64 39.832 0.114 -8.905 1.00 0.00 H new