USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 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 ALA N :NH3+ -158:sc= 0.254 (180deg=0.129) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc=-0.00935 USER MOD Single : A 12 TYR OH : rot -155:sc= 0.565 USER MOD Single : A 21 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.0019) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -90:sc= -1.99 USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0.0111 (180deg=0.00533) USER MOD Single : A 41 THR OG1 : rot 23:sc= 0.0197 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0703 (180deg=-0.564) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.268 -9.036 -3.664 1.00 0.00 N ATOM 2 CA ALA A 1 3.629 -7.612 -3.924 1.00 0.00 C ATOM 3 C ALA A 1 3.151 -6.723 -2.772 1.00 0.00 C ATOM 4 O ALA A 1 2.273 -7.092 -2.013 1.00 0.00 O ATOM 5 CB ALA A 1 2.900 -7.251 -5.218 1.00 0.00 C ATOM 0 H1 ALA A 1 3.889 -9.659 -4.220 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.385 -9.244 -2.652 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.278 -9.199 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 1 4.706 -7.468 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.114 -6.215 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.239 -7.905 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.826 -7.375 -5.077 1.00 0.00 H new ATOM 13 N LYS A 2 3.723 -5.553 -2.641 1.00 0.00 N ATOM 14 CA LYS A 2 3.311 -4.628 -1.543 1.00 0.00 C ATOM 15 C LYS A 2 2.832 -3.296 -2.124 1.00 0.00 C ATOM 16 O LYS A 2 2.905 -3.069 -3.316 1.00 0.00 O ATOM 17 CB LYS A 2 4.571 -4.422 -0.704 1.00 0.00 C ATOM 18 CG LYS A 2 4.889 -5.704 0.068 1.00 0.00 C ATOM 19 CD LYS A 2 6.180 -5.511 0.866 1.00 0.00 C ATOM 20 CE LYS A 2 6.369 -6.685 1.827 1.00 0.00 C ATOM 21 NZ LYS A 2 6.951 -6.083 3.059 1.00 0.00 N ATOM 0 H LYS A 2 4.460 -5.198 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 2 2.488 -5.031 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.409 -4.156 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.427 -3.594 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.067 -5.950 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.997 -6.540 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.031 -5.442 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.139 -4.575 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.421 -7.179 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.033 -7.439 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.110 -6.828 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.856 -5.626 2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.294 -5.374 3.443 1.00 0.00 H new ATOM 35 N TRP A 3 2.347 -2.417 -1.286 1.00 0.00 N ATOM 36 CA TRP A 3 1.862 -1.091 -1.776 1.00 0.00 C ATOM 37 C TRP A 3 2.289 0.007 -0.803 1.00 0.00 C ATOM 38 O TRP A 3 1.728 0.144 0.269 1.00 0.00 O ATOM 39 CB TRP A 3 0.337 -1.213 -1.805 1.00 0.00 C ATOM 40 CG TRP A 3 -0.096 -1.746 -3.126 1.00 0.00 C ATOM 41 CD1 TRP A 3 0.084 -3.013 -3.558 1.00 0.00 C ATOM 42 CD2 TRP A 3 -0.790 -1.045 -4.188 1.00 0.00 C ATOM 43 NE1 TRP A 3 -0.439 -3.127 -4.835 1.00 0.00 N ATOM 44 CE2 TRP A 3 -0.992 -1.937 -5.265 1.00 0.00 C ATOM 45 CE3 TRP A 3 -1.251 0.270 -4.316 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.634 -1.531 -6.437 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.900 0.686 -5.491 1.00 0.00 C ATOM 48 CH2 TRP A 3 -2.089 -0.214 -6.550 1.00 0.00 C ATOM 0 H TRP A 3 2.265 -2.561 -0.279 1.00 0.00 H new ATOM 0 HA TRP A 3 2.268 -0.834 -2.754 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -0.000 -1.874 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.119 -0.239 -1.627 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.558 -3.807 -2.999 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -0.418 -3.983 -5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -1.107 0.970 -3.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.778 -2.228 -7.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -2.255 1.702 -5.579 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -2.586 0.110 -7.452 1.00 0.00 H new ATOM 59 N VAL A 4 3.280 0.784 -1.162 1.00 0.00 N ATOM 60 CA VAL A 4 3.745 1.866 -0.246 1.00 0.00 C ATOM 61 C VAL A 4 2.884 3.119 -0.408 1.00 0.00 C ATOM 62 O VAL A 4 2.360 3.398 -1.468 1.00 0.00 O ATOM 63 CB VAL A 4 5.205 2.148 -0.636 1.00 0.00 C ATOM 64 CG1 VAL A 4 5.285 2.580 -2.105 1.00 0.00 C ATOM 65 CG2 VAL A 4 5.773 3.264 0.258 1.00 0.00 C ATOM 0 H VAL A 4 3.784 0.715 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 4 3.665 1.568 0.799 1.00 0.00 H new ATOM 0 HB VAL A 4 5.789 1.238 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.324 2.777 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.893 1.785 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.695 3.485 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.808 3.462 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.182 4.171 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.732 2.951 1.301 1.00 0.00 H new ATOM 75 N LEU A 5 2.749 3.871 0.647 1.00 0.00 N ATOM 76 CA LEU A 5 1.940 5.115 0.593 1.00 0.00 C ATOM 77 C LEU A 5 2.877 6.326 0.535 1.00 0.00 C ATOM 78 O LEU A 5 3.634 6.580 1.452 1.00 0.00 O ATOM 79 CB LEU A 5 1.131 5.105 1.897 1.00 0.00 C ATOM 80 CG LEU A 5 -0.364 5.254 1.603 1.00 0.00 C ATOM 81 CD1 LEU A 5 -1.127 5.295 2.927 1.00 0.00 C ATOM 82 CD2 LEU A 5 -0.623 6.552 0.830 1.00 0.00 C ATOM 0 H LEU A 5 3.171 3.673 1.554 1.00 0.00 H new ATOM 0 HA LEU A 5 1.291 5.171 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.310 4.175 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.463 5.917 2.544 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.699 4.410 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.194 5.401 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.950 4.371 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.782 6.142 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.690 6.648 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.290 7.402 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.074 6.530 -0.112 1.00 0.00 H new ATOM 94 N LYS A 6 2.836 7.066 -0.543 1.00 0.00 N ATOM 95 CA LYS A 6 3.730 8.262 -0.684 1.00 0.00 C ATOM 96 C LYS A 6 3.574 9.221 0.506 1.00 0.00 C ATOM 97 O LYS A 6 4.447 10.026 0.773 1.00 0.00 O ATOM 98 CB LYS A 6 3.284 8.944 -1.976 1.00 0.00 C ATOM 99 CG LYS A 6 3.830 8.169 -3.177 1.00 0.00 C ATOM 100 CD LYS A 6 5.284 8.576 -3.430 1.00 0.00 C ATOM 101 CE LYS A 6 6.068 7.372 -3.959 1.00 0.00 C ATOM 102 NZ LYS A 6 7.130 7.954 -4.826 1.00 0.00 N ATOM 0 H LYS A 6 2.220 6.895 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 6 4.780 7.972 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.196 8.986 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.644 9.973 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.769 7.097 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.225 8.373 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.324 9.394 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.736 8.941 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.499 6.792 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.423 6.698 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.710 7.189 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.690 8.495 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.732 8.586 -4.260 1.00 0.00 H new ATOM 116 N ILE A 7 2.475 9.147 1.219 1.00 0.00 N ATOM 117 CA ILE A 7 2.272 10.062 2.387 1.00 0.00 C ATOM 118 C ILE A 7 3.404 9.880 3.410 1.00 0.00 C ATOM 119 O ILE A 7 4.209 10.771 3.613 1.00 0.00 O ATOM 120 CB ILE A 7 0.914 9.660 2.991 1.00 0.00 C ATOM 121 CG1 ILE A 7 -0.193 9.891 1.954 1.00 0.00 C ATOM 122 CG2 ILE A 7 0.616 10.507 4.238 1.00 0.00 C ATOM 123 CD1 ILE A 7 -1.517 9.343 2.491 1.00 0.00 C ATOM 0 H ILE A 7 1.711 8.494 1.043 1.00 0.00 H new ATOM 0 HA ILE A 7 2.282 11.111 2.092 1.00 0.00 H new ATOM 0 HB ILE A 7 0.951 8.607 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.288 10.955 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.064 9.398 1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.347 10.213 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.398 10.348 4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.586 11.561 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.304 9.507 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.417 8.275 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.774 9.856 3.417 1.00 0.00 H new ATOM 135 N THR A 8 3.461 8.745 4.062 1.00 0.00 N ATOM 136 CA THR A 8 4.534 8.520 5.085 1.00 0.00 C ATOM 137 C THR A 8 5.367 7.268 4.767 1.00 0.00 C ATOM 138 O THR A 8 6.440 7.086 5.313 1.00 0.00 O ATOM 139 CB THR A 8 3.788 8.344 6.413 1.00 0.00 C ATOM 140 OG1 THR A 8 4.728 8.087 7.447 1.00 0.00 O ATOM 141 CG2 THR A 8 2.808 7.172 6.314 1.00 0.00 C ATOM 0 H THR A 8 2.815 7.966 3.932 1.00 0.00 H new ATOM 0 HA THR A 8 5.238 9.351 5.110 1.00 0.00 H new ATOM 0 HB THR A 8 3.232 9.255 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.256 7.975 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.283 7.055 7.262 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.086 7.368 5.521 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.356 6.257 6.088 1.00 0.00 H new ATOM 149 N GLY A 9 4.890 6.406 3.902 1.00 0.00 N ATOM 150 CA GLY A 9 5.663 5.173 3.568 1.00 0.00 C ATOM 151 C GLY A 9 4.907 3.927 4.052 1.00 0.00 C ATOM 152 O GLY A 9 5.465 2.846 4.113 1.00 0.00 O ATOM 0 H GLY A 9 4.000 6.504 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.823 5.115 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.647 5.214 4.034 1.00 0.00 H new ATOM 156 N TYR A 10 3.642 4.059 4.384 1.00 0.00 N ATOM 157 CA TYR A 10 2.854 2.870 4.850 1.00 0.00 C ATOM 158 C TYR A 10 2.829 1.816 3.730 1.00 0.00 C ATOM 159 O TYR A 10 2.556 2.125 2.587 1.00 0.00 O ATOM 160 CB TYR A 10 1.450 3.431 5.158 1.00 0.00 C ATOM 161 CG TYR A 10 0.429 2.319 5.283 1.00 0.00 C ATOM 162 CD1 TYR A 10 0.255 1.654 6.502 1.00 0.00 C ATOM 163 CD2 TYR A 10 -0.344 1.962 4.173 1.00 0.00 C ATOM 164 CE1 TYR A 10 -0.693 0.630 6.610 1.00 0.00 C ATOM 165 CE2 TYR A 10 -1.291 0.941 4.280 1.00 0.00 C ATOM 166 CZ TYR A 10 -1.468 0.274 5.498 1.00 0.00 C ATOM 167 OH TYR A 10 -2.405 -0.734 5.603 1.00 0.00 O ATOM 0 H TYR A 10 3.123 4.936 4.353 1.00 0.00 H new ATOM 0 HA TYR A 10 3.273 2.378 5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.481 4.006 6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.149 4.117 4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.852 1.931 7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.208 2.476 3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.827 0.115 7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.887 0.666 3.422 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.855 -0.853 4.741 1.00 0.00 H new ATOM 177 N ILE A 11 3.134 0.584 4.053 1.00 0.00 N ATOM 178 CA ILE A 11 3.157 -0.486 3.005 1.00 0.00 C ATOM 179 C ILE A 11 2.019 -1.488 3.209 1.00 0.00 C ATOM 180 O ILE A 11 2.011 -2.234 4.171 1.00 0.00 O ATOM 181 CB ILE A 11 4.499 -1.212 3.184 1.00 0.00 C ATOM 182 CG1 ILE A 11 5.670 -0.211 3.200 1.00 0.00 C ATOM 183 CG2 ILE A 11 4.694 -2.211 2.041 1.00 0.00 C ATOM 184 CD1 ILE A 11 5.708 0.585 1.891 1.00 0.00 C ATOM 0 H ILE A 11 3.368 0.272 4.995 1.00 0.00 H new ATOM 0 HA ILE A 11 3.037 -0.054 2.012 1.00 0.00 H new ATOM 0 HB ILE A 11 4.483 -1.738 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.564 0.470 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.611 -0.744 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.646 -2.727 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.883 -2.939 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.692 -1.680 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.540 1.288 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.837 -0.099 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.774 1.133 1.771 1.00 0.00 H new ATOM 196 N TYR A 12 1.085 -1.545 2.292 1.00 0.00 N ATOM 197 CA TYR A 12 -0.019 -2.542 2.419 1.00 0.00 C ATOM 198 C TYR A 12 0.499 -3.880 1.879 1.00 0.00 C ATOM 199 O TYR A 12 0.768 -4.016 0.699 1.00 0.00 O ATOM 200 CB TYR A 12 -1.189 -1.985 1.574 1.00 0.00 C ATOM 201 CG TYR A 12 -2.193 -3.082 1.238 1.00 0.00 C ATOM 202 CD1 TYR A 12 -3.179 -3.438 2.168 1.00 0.00 C ATOM 203 CD2 TYR A 12 -2.133 -3.742 -0.002 1.00 0.00 C ATOM 204 CE1 TYR A 12 -4.101 -4.448 1.860 1.00 0.00 C ATOM 205 CE2 TYR A 12 -3.058 -4.751 -0.302 1.00 0.00 C ATOM 206 CZ TYR A 12 -4.040 -5.101 0.630 1.00 0.00 C ATOM 207 OH TYR A 12 -4.951 -6.093 0.338 1.00 0.00 O ATOM 0 H TYR A 12 1.040 -0.948 1.466 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.354 -2.704 3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.689 -1.185 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.801 -1.548 0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.229 -2.934 3.122 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.375 -3.472 -0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.861 -4.721 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.012 -5.259 -1.254 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.569 -6.703 -0.327 1.00 0.00 H new ATOM 217 N ASP A 13 0.643 -4.860 2.731 1.00 0.00 N ATOM 218 CA ASP A 13 1.150 -6.182 2.265 1.00 0.00 C ATOM 219 C ASP A 13 0.012 -6.957 1.602 1.00 0.00 C ATOM 220 O ASP A 13 -0.686 -7.732 2.228 1.00 0.00 O ATOM 221 CB ASP A 13 1.656 -6.897 3.526 1.00 0.00 C ATOM 222 CG ASP A 13 0.530 -7.049 4.563 1.00 0.00 C ATOM 223 OD1 ASP A 13 -0.527 -6.470 4.366 1.00 0.00 O ATOM 224 OD2 ASP A 13 0.749 -7.747 5.538 1.00 0.00 O ATOM 0 H ASP A 13 0.432 -4.802 3.727 1.00 0.00 H new ATOM 0 HA ASP A 13 1.947 -6.091 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.045 -7.880 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.482 -6.334 3.961 1.00 0.00 H new ATOM 229 N GLU A 14 -0.176 -6.742 0.323 1.00 0.00 N ATOM 230 CA GLU A 14 -1.269 -7.445 -0.417 1.00 0.00 C ATOM 231 C GLU A 14 -1.140 -8.965 -0.259 1.00 0.00 C ATOM 232 O GLU A 14 -2.106 -9.685 -0.411 1.00 0.00 O ATOM 233 CB GLU A 14 -1.098 -7.024 -1.882 1.00 0.00 C ATOM 234 CG GLU A 14 -2.270 -7.542 -2.706 1.00 0.00 C ATOM 235 CD GLU A 14 -1.769 -8.040 -4.065 1.00 0.00 C ATOM 236 OE1 GLU A 14 -1.524 -7.210 -4.924 1.00 0.00 O ATOM 237 OE2 GLU A 14 -1.640 -9.243 -4.222 1.00 0.00 O ATOM 0 H GLU A 14 0.385 -6.105 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.256 -7.182 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.042 -5.938 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.161 -7.418 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.771 -8.351 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.005 -6.750 -2.847 1.00 0.00 H new ATOM 244 N ASP A 15 0.032 -9.457 0.076 1.00 0.00 N ATOM 245 CA ASP A 15 0.194 -10.930 0.277 1.00 0.00 C ATOM 246 C ASP A 15 -0.697 -11.367 1.442 1.00 0.00 C ATOM 247 O ASP A 15 -1.225 -12.463 1.466 1.00 0.00 O ATOM 248 CB ASP A 15 1.671 -11.139 0.619 1.00 0.00 C ATOM 249 CG ASP A 15 2.448 -11.471 -0.656 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.226 -12.540 -1.201 1.00 0.00 O ATOM 251 OD2 ASP A 15 3.254 -10.651 -1.066 1.00 0.00 O ATOM 0 H ASP A 15 0.877 -8.904 0.218 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.089 -11.511 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.079 -10.241 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.777 -11.947 1.343 1.00 0.00 H new ATOM 256 N ALA A 16 -0.879 -10.494 2.399 1.00 0.00 N ATOM 257 CA ALA A 16 -1.747 -10.807 3.568 1.00 0.00 C ATOM 258 C ALA A 16 -3.041 -10.003 3.461 1.00 0.00 C ATOM 259 O ALA A 16 -4.126 -10.521 3.638 1.00 0.00 O ATOM 260 CB ALA A 16 -0.949 -10.356 4.793 1.00 0.00 C ATOM 0 H ALA A 16 -0.456 -9.566 2.418 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.010 -11.863 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.526 -10.555 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.007 -10.903 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.745 -9.288 4.721 1.00 0.00 H new ATOM 266 N GLY A 17 -2.921 -8.734 3.170 1.00 0.00 N ATOM 267 CA GLY A 17 -4.128 -7.872 3.046 1.00 0.00 C ATOM 268 C GLY A 17 -4.102 -6.792 4.126 1.00 0.00 C ATOM 269 O GLY A 17 -3.342 -5.848 4.055 1.00 0.00 O ATOM 0 H GLY A 17 -2.033 -8.258 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.158 -7.412 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.030 -8.476 3.144 1.00 0.00 H new ATOM 273 N ASP A 18 -4.933 -6.925 5.130 1.00 0.00 N ATOM 274 CA ASP A 18 -4.985 -5.908 6.230 1.00 0.00 C ATOM 275 C ASP A 18 -6.110 -6.276 7.208 1.00 0.00 C ATOM 276 O ASP A 18 -7.248 -5.910 6.996 1.00 0.00 O ATOM 277 CB ASP A 18 -5.296 -4.556 5.557 1.00 0.00 C ATOM 278 CG ASP A 18 -4.162 -3.567 5.838 1.00 0.00 C ATOM 279 OD1 ASP A 18 -3.019 -3.927 5.613 1.00 0.00 O ATOM 280 OD2 ASP A 18 -4.458 -2.467 6.274 1.00 0.00 O ATOM 0 H ASP A 18 -5.585 -7.702 5.237 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.048 -5.865 6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.414 -4.693 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.239 -4.160 5.934 1.00 0.00 H new ATOM 285 N PRO A 19 -5.763 -6.988 8.254 1.00 0.00 N ATOM 286 CA PRO A 19 -6.779 -7.390 9.259 1.00 0.00 C ATOM 287 C PRO A 19 -7.348 -6.164 9.991 1.00 0.00 C ATOM 288 O PRO A 19 -8.353 -6.257 10.669 1.00 0.00 O ATOM 289 CB PRO A 19 -6.005 -8.308 10.205 1.00 0.00 C ATOM 290 CG PRO A 19 -4.577 -7.903 10.044 1.00 0.00 C ATOM 291 CD PRO A 19 -4.423 -7.478 8.608 1.00 0.00 C ATOM 0 HA PRO A 19 -7.645 -7.884 8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.337 -8.185 11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.151 -9.357 9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.325 -7.087 10.721 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.908 -8.731 10.279 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.668 -6.700 8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.118 -8.310 7.973 1.00 0.00 H new ATOM 299 N ASP A 20 -6.725 -5.014 9.851 1.00 0.00 N ATOM 300 CA ASP A 20 -7.249 -3.790 10.531 1.00 0.00 C ATOM 301 C ASP A 20 -8.480 -3.268 9.785 1.00 0.00 C ATOM 302 O ASP A 20 -9.451 -2.850 10.387 1.00 0.00 O ATOM 303 CB ASP A 20 -6.107 -2.772 10.464 1.00 0.00 C ATOM 304 CG ASP A 20 -5.094 -3.069 11.570 1.00 0.00 C ATOM 305 OD1 ASP A 20 -4.211 -3.877 11.337 1.00 0.00 O ATOM 306 OD2 ASP A 20 -5.219 -2.483 12.633 1.00 0.00 O ATOM 0 H ASP A 20 -5.880 -4.874 9.297 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.554 -3.985 11.559 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.621 -2.818 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.499 -1.761 10.577 1.00 0.00 H new ATOM 311 N ASN A 21 -8.446 -3.295 8.475 1.00 0.00 N ATOM 312 CA ASN A 21 -9.613 -2.810 7.676 1.00 0.00 C ATOM 313 C ASN A 21 -10.555 -3.975 7.341 1.00 0.00 C ATOM 314 O ASN A 21 -11.377 -3.874 6.451 1.00 0.00 O ATOM 315 CB ASN A 21 -9.001 -2.234 6.394 1.00 0.00 C ATOM 316 CG ASN A 21 -8.380 -0.869 6.694 1.00 0.00 C ATOM 317 OD1 ASN A 21 -7.234 -0.627 6.372 1.00 0.00 O ATOM 318 ND2 ASN A 21 -9.092 0.040 7.302 1.00 0.00 N ATOM 0 H ASN A 21 -7.657 -3.633 7.924 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.204 -2.072 8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.243 -2.913 6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.767 -2.136 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.686 0.953 7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.054 -0.163 7.573 1.00 0.00 H new ATOM 325 N GLY A 22 -10.442 -5.085 8.041 1.00 0.00 N ATOM 326 CA GLY A 22 -11.328 -6.257 7.754 1.00 0.00 C ATOM 327 C GLY A 22 -11.167 -6.665 6.288 1.00 0.00 C ATOM 328 O GLY A 22 -12.129 -6.954 5.602 1.00 0.00 O ATOM 0 H GLY A 22 -9.773 -5.226 8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.070 -7.091 8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.367 -6.001 7.960 1.00 0.00 H new ATOM 332 N ILE A 23 -9.953 -6.666 5.806 1.00 0.00 N ATOM 333 CA ILE A 23 -9.703 -7.030 4.379 1.00 0.00 C ATOM 334 C ILE A 23 -9.591 -8.544 4.216 1.00 0.00 C ATOM 335 O ILE A 23 -9.431 -9.277 5.173 1.00 0.00 O ATOM 336 CB ILE A 23 -8.369 -6.360 4.020 1.00 0.00 C ATOM 337 CG1 ILE A 23 -8.458 -4.843 4.266 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.027 -6.630 2.548 1.00 0.00 C ATOM 339 CD1 ILE A 23 -9.481 -4.202 3.322 1.00 0.00 C ATOM 0 H ILE A 23 -9.118 -6.429 6.342 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.517 -6.703 3.733 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.584 -6.776 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.742 -4.653 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.480 -4.387 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.079 -6.151 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.944 -7.705 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.814 -6.226 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.529 -3.130 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.181 -4.375 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.462 -4.645 3.493 1.00 0.00 H new ATOM 351 N SER A 24 -9.664 -9.005 2.997 1.00 0.00 N ATOM 352 CA SER A 24 -9.553 -10.467 2.729 1.00 0.00 C ATOM 353 C SER A 24 -8.074 -10.885 2.740 1.00 0.00 C ATOM 354 O SER A 24 -7.210 -10.073 2.474 1.00 0.00 O ATOM 355 CB SER A 24 -10.160 -10.658 1.334 1.00 0.00 C ATOM 356 OG SER A 24 -11.409 -11.327 1.455 1.00 0.00 O ATOM 0 H SER A 24 -9.797 -8.426 2.168 1.00 0.00 H new ATOM 0 HA SER A 24 -10.063 -11.073 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.297 -9.692 0.849 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.483 -11.237 0.706 1.00 0.00 H new ATOM 0 HG SER A 24 -11.802 -11.450 0.566 1.00 0.00 H new ATOM 362 N PRO A 25 -7.818 -12.140 3.041 1.00 0.00 N ATOM 363 CA PRO A 25 -6.417 -12.632 3.068 1.00 0.00 C ATOM 364 C PRO A 25 -5.875 -12.731 1.641 1.00 0.00 C ATOM 365 O PRO A 25 -6.268 -13.598 0.882 1.00 0.00 O ATOM 366 CB PRO A 25 -6.531 -14.014 3.709 1.00 0.00 C ATOM 367 CG PRO A 25 -7.935 -14.451 3.436 1.00 0.00 C ATOM 368 CD PRO A 25 -8.779 -13.205 3.376 1.00 0.00 C ATOM 0 HA PRO A 25 -5.737 -11.978 3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.810 -14.709 3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.332 -13.970 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.992 -15.001 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.290 -15.120 4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.561 -13.289 2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.274 -13.012 4.328 1.00 0.00 H new ATOM 376 N GLY A 26 -4.991 -11.840 1.263 1.00 0.00 N ATOM 377 CA GLY A 26 -4.443 -11.873 -0.122 1.00 0.00 C ATOM 378 C GLY A 26 -5.398 -11.105 -1.034 1.00 0.00 C ATOM 379 O GLY A 26 -6.024 -11.666 -1.913 1.00 0.00 O ATOM 0 H GLY A 26 -4.628 -11.093 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.450 -11.424 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.337 -12.903 -0.464 1.00 0.00 H new ATOM 383 N THR A 27 -5.522 -9.824 -0.809 1.00 0.00 N ATOM 384 CA THR A 27 -6.445 -8.995 -1.632 1.00 0.00 C ATOM 385 C THR A 27 -5.639 -7.951 -2.418 1.00 0.00 C ATOM 386 O THR A 27 -4.873 -7.199 -1.854 1.00 0.00 O ATOM 387 CB THR A 27 -7.384 -8.349 -0.589 1.00 0.00 C ATOM 388 OG1 THR A 27 -8.424 -9.263 -0.274 1.00 0.00 O ATOM 389 CG2 THR A 27 -8.005 -7.046 -1.115 1.00 0.00 C ATOM 0 H THR A 27 -5.018 -9.314 -0.084 1.00 0.00 H new ATOM 0 HA THR A 27 -7.005 -9.559 -2.378 1.00 0.00 H new ATOM 0 HB THR A 27 -6.795 -8.111 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.180 -9.121 -0.882 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.659 -6.621 -0.353 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.213 -6.335 -1.351 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.584 -7.256 -2.014 1.00 0.00 H new ATOM 397 N LYS A 28 -5.823 -7.902 -3.709 1.00 0.00 N ATOM 398 CA LYS A 28 -5.086 -6.908 -4.535 1.00 0.00 C ATOM 399 C LYS A 28 -5.491 -5.487 -4.132 1.00 0.00 C ATOM 400 O LYS A 28 -6.642 -5.114 -4.252 1.00 0.00 O ATOM 401 CB LYS A 28 -5.508 -7.190 -5.980 1.00 0.00 C ATOM 402 CG LYS A 28 -5.082 -8.609 -6.373 1.00 0.00 C ATOM 403 CD LYS A 28 -6.174 -9.255 -7.230 1.00 0.00 C ATOM 404 CE LYS A 28 -6.015 -8.804 -8.684 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.533 -9.940 -9.496 1.00 0.00 N ATOM 0 H LYS A 28 -6.455 -8.511 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.007 -6.987 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.588 -7.082 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.051 -6.463 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.143 -8.578 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.906 -9.207 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.107 -10.341 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.159 -8.974 -6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.577 -7.891 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.972 -8.593 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.395 -9.736 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.019 -10.809 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.547 -10.070 -9.304 1.00 0.00 H new ATOM 419 N PHE A 29 -4.561 -4.686 -3.657 1.00 0.00 N ATOM 420 CA PHE A 29 -4.909 -3.273 -3.254 1.00 0.00 C ATOM 421 C PHE A 29 -5.660 -2.562 -4.389 1.00 0.00 C ATOM 422 O PHE A 29 -6.556 -1.774 -4.151 1.00 0.00 O ATOM 423 CB PHE A 29 -3.559 -2.598 -2.998 1.00 0.00 C ATOM 424 CG PHE A 29 -3.769 -1.176 -2.529 1.00 0.00 C ATOM 425 CD1 PHE A 29 -4.069 -0.167 -3.454 1.00 0.00 C ATOM 426 CD2 PHE A 29 -3.647 -0.865 -1.171 1.00 0.00 C ATOM 427 CE1 PHE A 29 -4.251 1.152 -3.018 1.00 0.00 C ATOM 428 CE2 PHE A 29 -3.830 0.452 -0.736 1.00 0.00 C ATOM 429 CZ PHE A 29 -4.132 1.459 -1.659 1.00 0.00 C ATOM 0 H PHE A 29 -3.582 -4.944 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.559 -3.240 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.000 -3.158 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.962 -2.604 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.160 -0.406 -4.503 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.412 -1.641 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.483 1.930 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.738 0.691 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.273 2.475 -1.321 1.00 0.00 H new ATOM 439 N GLU A 30 -5.309 -2.852 -5.615 1.00 0.00 N ATOM 440 CA GLU A 30 -6.010 -2.213 -6.768 1.00 0.00 C ATOM 441 C GLU A 30 -7.413 -2.821 -6.950 1.00 0.00 C ATOM 442 O GLU A 30 -8.205 -2.332 -7.734 1.00 0.00 O ATOM 443 CB GLU A 30 -5.128 -2.504 -7.990 1.00 0.00 C ATOM 444 CG GLU A 30 -4.992 -4.020 -8.196 1.00 0.00 C ATOM 445 CD GLU A 30 -5.853 -4.460 -9.384 1.00 0.00 C ATOM 446 OE1 GLU A 30 -5.656 -3.926 -10.463 1.00 0.00 O ATOM 447 OE2 GLU A 30 -6.693 -5.324 -9.193 1.00 0.00 O ATOM 0 H GLU A 30 -4.567 -3.504 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.151 -1.143 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.563 -2.046 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.143 -2.059 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.949 -4.280 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.302 -4.548 -7.294 1.00 0.00 H new ATOM 454 N GLU A 31 -7.723 -3.882 -6.236 1.00 0.00 N ATOM 455 CA GLU A 31 -9.067 -4.517 -6.373 1.00 0.00 C ATOM 456 C GLU A 31 -9.890 -4.361 -5.083 1.00 0.00 C ATOM 457 O GLU A 31 -11.045 -4.740 -5.040 1.00 0.00 O ATOM 458 CB GLU A 31 -8.779 -5.991 -6.647 1.00 0.00 C ATOM 459 CG GLU A 31 -10.013 -6.645 -7.272 1.00 0.00 C ATOM 460 CD GLU A 31 -9.777 -8.150 -7.414 1.00 0.00 C ATOM 461 OE1 GLU A 31 -8.907 -8.523 -8.184 1.00 0.00 O ATOM 462 OE2 GLU A 31 -10.470 -8.904 -6.752 1.00 0.00 O ATOM 0 H GLU A 31 -7.100 -4.332 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.653 -4.053 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.925 -6.087 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.515 -6.499 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.889 -6.461 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.216 -6.204 -8.248 1.00 0.00 H new ATOM 469 N LEU A 32 -9.320 -3.801 -4.031 1.00 0.00 N ATOM 470 CA LEU A 32 -10.097 -3.623 -2.754 1.00 0.00 C ATOM 471 C LEU A 32 -11.421 -2.886 -3.056 1.00 0.00 C ATOM 472 O LEU A 32 -11.621 -2.439 -4.168 1.00 0.00 O ATOM 473 CB LEU A 32 -9.185 -2.790 -1.836 1.00 0.00 C ATOM 474 CG LEU A 32 -8.429 -3.704 -0.860 1.00 0.00 C ATOM 475 CD1 LEU A 32 -7.459 -2.863 -0.030 1.00 0.00 C ATOM 476 CD2 LEU A 32 -9.402 -4.421 0.084 1.00 0.00 C ATOM 0 H LEU A 32 -8.358 -3.463 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.362 -4.570 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.475 -2.222 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.781 -2.067 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.886 -4.452 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.920 -3.508 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.748 -2.368 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.016 -2.112 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.842 -5.062 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.962 -3.683 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.094 -5.028 -0.499 1.00 0.00 H new ATOM 488 N PRO A 33 -12.301 -2.801 -2.081 1.00 0.00 N ATOM 489 CA PRO A 33 -13.602 -2.142 -2.303 1.00 0.00 C ATOM 490 C PRO A 33 -13.512 -0.648 -2.002 1.00 0.00 C ATOM 491 O PRO A 33 -12.452 -0.127 -1.711 1.00 0.00 O ATOM 492 CB PRO A 33 -14.515 -2.836 -1.298 1.00 0.00 C ATOM 493 CG PRO A 33 -13.613 -3.338 -0.205 1.00 0.00 C ATOM 494 CD PRO A 33 -12.186 -3.284 -0.704 1.00 0.00 C ATOM 0 HA PRO A 33 -13.952 -2.220 -3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.260 -2.145 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.058 -3.657 -1.765 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.725 -2.727 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.881 -4.358 0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.578 -2.613 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.714 -4.266 -0.665 1.00 0.00 H new ATOM 502 N ASP A 34 -14.622 0.037 -2.063 1.00 0.00 N ATOM 503 CA ASP A 34 -14.619 1.498 -1.772 1.00 0.00 C ATOM 504 C ASP A 34 -14.572 1.721 -0.260 1.00 0.00 C ATOM 505 O ASP A 34 -14.698 0.795 0.517 1.00 0.00 O ATOM 506 CB ASP A 34 -15.931 2.029 -2.353 1.00 0.00 C ATOM 507 CG ASP A 34 -15.907 1.894 -3.876 1.00 0.00 C ATOM 508 OD1 ASP A 34 -15.038 2.492 -4.490 1.00 0.00 O ATOM 509 OD2 ASP A 34 -16.759 1.198 -4.403 1.00 0.00 O ATOM 0 H ASP A 34 -15.533 -0.354 -2.303 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.756 2.006 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.774 1.474 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.069 3.073 -2.072 1.00 0.00 H new ATOM 514 N ASP A 35 -14.390 2.951 0.160 1.00 0.00 N ATOM 515 CA ASP A 35 -14.328 3.291 1.628 1.00 0.00 C ATOM 516 C ASP A 35 -13.046 2.757 2.293 1.00 0.00 C ATOM 517 O ASP A 35 -12.839 2.971 3.473 1.00 0.00 O ATOM 518 CB ASP A 35 -15.575 2.668 2.283 1.00 0.00 C ATOM 519 CG ASP A 35 -16.209 3.673 3.250 1.00 0.00 C ATOM 520 OD1 ASP A 35 -15.653 3.871 4.317 1.00 0.00 O ATOM 521 OD2 ASP A 35 -17.241 4.226 2.904 1.00 0.00 O ATOM 0 H ASP A 35 -14.279 3.752 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.308 4.373 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.296 2.382 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.301 1.758 2.817 1.00 0.00 H new ATOM 526 N TRP A 36 -12.172 2.089 1.564 1.00 0.00 N ATOM 527 CA TRP A 36 -10.915 1.590 2.196 1.00 0.00 C ATOM 528 C TRP A 36 -9.971 2.769 2.432 1.00 0.00 C ATOM 529 O TRP A 36 -9.576 3.447 1.503 1.00 0.00 O ATOM 530 CB TRP A 36 -10.301 0.603 1.197 1.00 0.00 C ATOM 531 CG TRP A 36 -9.094 -0.032 1.818 1.00 0.00 C ATOM 532 CD1 TRP A 36 -9.078 -1.247 2.413 1.00 0.00 C ATOM 533 CD2 TRP A 36 -7.734 0.490 1.923 1.00 0.00 C ATOM 534 NE1 TRP A 36 -7.802 -1.503 2.879 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.938 -0.465 2.603 1.00 0.00 C ATOM 536 CE3 TRP A 36 -7.117 1.683 1.502 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.585 -0.243 2.858 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -5.755 1.908 1.758 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.991 0.948 2.435 1.00 0.00 C ATOM 0 H TRP A 36 -12.279 1.874 0.573 1.00 0.00 H new ATOM 0 HA TRP A 36 -11.099 1.109 3.156 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -11.030 -0.160 0.925 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -10.024 1.120 0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.925 -1.910 2.508 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.532 -2.357 3.368 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.695 2.430 0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.001 -0.987 3.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.293 2.828 1.431 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.944 1.129 2.629 1.00 0.00 H new ATOM 550 N VAL A 37 -9.618 3.027 3.665 1.00 0.00 N ATOM 551 CA VAL A 37 -8.702 4.169 3.966 1.00 0.00 C ATOM 552 C VAL A 37 -7.877 3.857 5.217 1.00 0.00 C ATOM 553 O VAL A 37 -8.380 3.886 6.324 1.00 0.00 O ATOM 554 CB VAL A 37 -9.617 5.377 4.213 1.00 0.00 C ATOM 555 CG1 VAL A 37 -8.766 6.613 4.519 1.00 0.00 C ATOM 556 CG2 VAL A 37 -10.464 5.651 2.967 1.00 0.00 C ATOM 0 H VAL A 37 -9.925 2.495 4.479 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.001 4.359 3.153 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.270 5.160 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.418 7.469 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.163 6.428 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.111 6.822 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.111 6.509 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.809 5.862 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.075 4.777 2.743 1.00 0.00 H new ATOM 566 N ALA A 38 -6.612 3.564 5.047 1.00 0.00 N ATOM 567 CA ALA A 38 -5.747 3.251 6.228 1.00 0.00 C ATOM 568 C ALA A 38 -5.704 4.457 7.182 1.00 0.00 C ATOM 569 O ALA A 38 -5.906 5.577 6.759 1.00 0.00 O ATOM 570 CB ALA A 38 -4.359 2.973 5.648 1.00 0.00 C ATOM 0 H ALA A 38 -6.140 3.528 4.143 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.121 2.402 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.668 2.735 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.415 2.131 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.004 3.855 5.115 1.00 0.00 H new ATOM 576 N PRO A 39 -5.443 4.196 8.446 1.00 0.00 N ATOM 577 CA PRO A 39 -5.384 5.296 9.441 1.00 0.00 C ATOM 578 C PRO A 39 -4.078 6.089 9.298 1.00 0.00 C ATOM 579 O PRO A 39 -3.280 6.154 10.215 1.00 0.00 O ATOM 580 CB PRO A 39 -5.434 4.570 10.783 1.00 0.00 C ATOM 581 CG PRO A 39 -4.900 3.200 10.509 1.00 0.00 C ATOM 582 CD PRO A 39 -5.188 2.884 9.064 1.00 0.00 C ATOM 0 HA PRO A 39 -6.190 6.020 9.321 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.832 5.085 11.532 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.452 4.526 11.169 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.828 3.160 10.704 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.371 2.467 11.163 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.345 2.380 8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.050 2.224 8.966 1.00 0.00 H new ATOM 590 N ILE A 40 -3.861 6.695 8.158 1.00 0.00 N ATOM 591 CA ILE A 40 -2.612 7.491 7.949 1.00 0.00 C ATOM 592 C ILE A 40 -2.929 8.761 7.151 1.00 0.00 C ATOM 593 O ILE A 40 -2.571 8.880 5.995 1.00 0.00 O ATOM 594 CB ILE A 40 -1.677 6.567 7.160 1.00 0.00 C ATOM 595 CG1 ILE A 40 -1.377 5.313 7.989 1.00 0.00 C ATOM 596 CG2 ILE A 40 -0.364 7.294 6.855 1.00 0.00 C ATOM 597 CD1 ILE A 40 -2.355 4.199 7.611 1.00 0.00 C ATOM 0 H ILE A 40 -4.497 6.673 7.360 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.159 7.812 8.887 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.161 6.284 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.352 4.986 7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.461 5.539 9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.296 6.633 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.571 8.186 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.118 7.581 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.139 3.309 8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.375 4.528 7.809 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.249 3.965 6.552 1.00 0.00 H new ATOM 609 N THR A 41 -3.602 9.706 7.769 1.00 0.00 N ATOM 610 CA THR A 41 -3.967 10.997 7.081 1.00 0.00 C ATOM 611 C THR A 41 -4.498 10.754 5.660 1.00 0.00 C ATOM 612 O THR A 41 -3.847 11.069 4.682 1.00 0.00 O ATOM 613 CB THR A 41 -2.675 11.824 7.045 1.00 0.00 C ATOM 614 OG1 THR A 41 -1.688 11.147 6.282 1.00 0.00 O ATOM 615 CG2 THR A 41 -2.161 12.041 8.471 1.00 0.00 C ATOM 0 H THR A 41 -3.920 9.639 8.736 1.00 0.00 H new ATOM 0 HA THR A 41 -4.767 11.512 7.614 1.00 0.00 H new ATOM 0 HB THR A 41 -2.884 12.790 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.123 10.523 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.243 12.629 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.914 12.573 9.052 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.959 11.076 8.936 1.00 0.00 H new ATOM 623 N GLY A 42 -5.676 10.195 5.548 1.00 0.00 N ATOM 624 CA GLY A 42 -6.259 9.927 4.200 1.00 0.00 C ATOM 625 C GLY A 42 -5.494 8.783 3.532 1.00 0.00 C ATOM 626 O GLY A 42 -4.287 8.686 3.643 1.00 0.00 O ATOM 0 H GLY A 42 -6.260 9.912 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.314 9.668 4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.204 10.824 3.583 1.00 0.00 H new ATOM 630 N ALA A 43 -6.191 7.918 2.840 1.00 0.00 N ATOM 631 CA ALA A 43 -5.513 6.774 2.160 1.00 0.00 C ATOM 632 C ALA A 43 -6.445 6.161 1.097 1.00 0.00 C ATOM 633 O ALA A 43 -6.740 4.983 1.147 1.00 0.00 O ATOM 634 CB ALA A 43 -5.225 5.768 3.276 1.00 0.00 C ATOM 0 H ALA A 43 -7.203 7.955 2.717 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.603 7.077 1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.725 4.894 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.582 6.230 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.162 5.462 3.741 1.00 0.00 H new ATOM 640 N PRO A 44 -6.883 6.979 0.163 1.00 0.00 N ATOM 641 CA PRO A 44 -7.786 6.483 -0.907 1.00 0.00 C ATOM 642 C PRO A 44 -7.018 5.578 -1.877 1.00 0.00 C ATOM 643 O PRO A 44 -5.930 5.122 -1.580 1.00 0.00 O ATOM 644 CB PRO A 44 -8.253 7.760 -1.605 1.00 0.00 C ATOM 645 CG PRO A 44 -7.180 8.763 -1.332 1.00 0.00 C ATOM 646 CD PRO A 44 -6.590 8.415 0.009 1.00 0.00 C ATOM 0 HA PRO A 44 -8.615 5.886 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.381 7.601 -2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.214 8.094 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.417 8.734 -2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.588 9.774 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.518 8.609 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.041 9.003 0.809 1.00 0.00 H new ATOM 654 N LYS A 45 -7.579 5.315 -3.031 1.00 0.00 N ATOM 655 CA LYS A 45 -6.887 4.436 -4.024 1.00 0.00 C ATOM 656 C LYS A 45 -5.796 5.217 -4.755 1.00 0.00 C ATOM 657 O LYS A 45 -4.638 4.847 -4.734 1.00 0.00 O ATOM 658 CB LYS A 45 -7.977 4.004 -5.004 1.00 0.00 C ATOM 659 CG LYS A 45 -8.719 2.790 -4.440 1.00 0.00 C ATOM 660 CD LYS A 45 -7.760 1.592 -4.363 1.00 0.00 C ATOM 661 CE LYS A 45 -8.306 0.432 -5.199 1.00 0.00 C ATOM 662 NZ LYS A 45 -9.226 -0.299 -4.284 1.00 0.00 N ATOM 0 H LYS A 45 -8.487 5.671 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.404 3.583 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.675 4.824 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.536 3.757 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.112 3.019 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.572 2.546 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.774 1.881 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.638 1.279 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.832 0.795 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.502 -0.215 -5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.348 -1.275 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.824 -0.312 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.150 0.179 -4.266 1.00 0.00 H new ATOM 676 N SER A 46 -6.163 6.293 -5.402 1.00 0.00 N ATOM 677 CA SER A 46 -5.153 7.115 -6.140 1.00 0.00 C ATOM 678 C SER A 46 -4.242 7.837 -5.142 1.00 0.00 C ATOM 679 O SER A 46 -4.282 9.045 -5.007 1.00 0.00 O ATOM 680 CB SER A 46 -5.969 8.123 -6.952 1.00 0.00 C ATOM 681 OG SER A 46 -6.146 7.630 -8.273 1.00 0.00 O ATOM 0 H SER A 46 -7.121 6.640 -5.452 1.00 0.00 H new ATOM 0 HA SER A 46 -4.513 6.509 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.938 8.288 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.458 9.086 -6.976 1.00 0.00 H new ATOM 0 HG SER A 46 -6.670 8.273 -8.795 1.00 0.00 H new ATOM 687 N GLU A 47 -3.430 7.094 -4.438 1.00 0.00 N ATOM 688 CA GLU A 47 -2.513 7.713 -3.433 1.00 0.00 C ATOM 689 C GLU A 47 -1.347 6.771 -3.095 1.00 0.00 C ATOM 690 O GLU A 47 -0.249 7.216 -2.818 1.00 0.00 O ATOM 691 CB GLU A 47 -3.388 7.946 -2.200 1.00 0.00 C ATOM 692 CG GLU A 47 -2.572 8.664 -1.121 1.00 0.00 C ATOM 693 CD GLU A 47 -2.284 10.098 -1.568 1.00 0.00 C ATOM 694 OE1 GLU A 47 -3.180 10.718 -2.116 1.00 0.00 O ATOM 695 OE2 GLU A 47 -1.172 10.553 -1.352 1.00 0.00 O ATOM 0 H GLU A 47 -3.361 6.079 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.064 8.634 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.260 8.542 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.757 6.994 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.120 8.669 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.637 8.133 -0.943 1.00 0.00 H new ATOM 702 N PHE A 48 -1.578 5.479 -3.097 1.00 0.00 N ATOM 703 CA PHE A 48 -0.485 4.519 -2.759 1.00 0.00 C ATOM 704 C PHE A 48 0.437 4.310 -3.962 1.00 0.00 C ATOM 705 O PHE A 48 0.319 4.975 -4.974 1.00 0.00 O ATOM 706 CB PHE A 48 -1.188 3.201 -2.424 1.00 0.00 C ATOM 707 CG PHE A 48 -1.747 3.230 -1.027 1.00 0.00 C ATOM 708 CD1 PHE A 48 -2.660 4.219 -0.634 1.00 0.00 C ATOM 709 CD2 PHE A 48 -1.361 2.241 -0.125 1.00 0.00 C ATOM 710 CE1 PHE A 48 -3.184 4.209 0.664 1.00 0.00 C ATOM 711 CE2 PHE A 48 -1.878 2.232 1.167 1.00 0.00 C ATOM 712 CZ PHE A 48 -2.793 3.214 1.567 1.00 0.00 C ATOM 0 H PHE A 48 -2.477 5.050 -3.318 1.00 0.00 H new ATOM 0 HA PHE A 48 0.126 4.887 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.992 3.021 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.485 2.374 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.959 4.987 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.659 1.479 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.889 4.968 0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.573 1.465 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.196 3.203 2.569 1.00 0.00 H new ATOM 722 N GLU A 49 1.348 3.379 -3.853 1.00 0.00 N ATOM 723 CA GLU A 49 2.286 3.092 -4.967 1.00 0.00 C ATOM 724 C GLU A 49 2.886 1.694 -4.788 1.00 0.00 C ATOM 725 O GLU A 49 3.442 1.382 -3.753 1.00 0.00 O ATOM 726 CB GLU A 49 3.368 4.168 -4.866 1.00 0.00 C ATOM 727 CG GLU A 49 3.940 4.454 -6.256 1.00 0.00 C ATOM 728 CD GLU A 49 5.127 3.524 -6.519 1.00 0.00 C ATOM 729 OE1 GLU A 49 6.166 3.736 -5.915 1.00 0.00 O ATOM 730 OE2 GLU A 49 4.976 2.617 -7.320 1.00 0.00 O ATOM 0 H GLU A 49 1.480 2.799 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 49 1.798 3.108 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.950 5.080 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.162 3.838 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.172 4.305 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.257 5.495 -6.324 1.00 0.00 H new ATOM 737 N LYS A 50 2.774 0.851 -5.786 1.00 0.00 N ATOM 738 CA LYS A 50 3.337 -0.531 -5.666 1.00 0.00 C ATOM 739 C LYS A 50 4.858 -0.467 -5.497 1.00 0.00 C ATOM 740 O LYS A 50 5.466 0.571 -5.685 1.00 0.00 O ATOM 741 CB LYS A 50 2.974 -1.235 -6.975 1.00 0.00 C ATOM 742 CG LYS A 50 1.517 -1.693 -6.924 1.00 0.00 C ATOM 743 CD LYS A 50 1.157 -2.396 -8.235 1.00 0.00 C ATOM 744 CE LYS A 50 0.693 -1.359 -9.260 1.00 0.00 C ATOM 745 NZ LYS A 50 1.106 -1.911 -10.581 1.00 0.00 N ATOM 0 H LYS A 50 2.319 1.059 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 50 2.939 -1.060 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.124 -0.559 -7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.630 -2.091 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.367 -2.370 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.861 -0.837 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.021 -2.940 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.370 -3.130 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.386 -1.213 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.154 -0.389 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.822 -1.254 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.139 -2.033 -10.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.646 -2.832 -10.732 1.00 0.00 H new ATOM 759 N LEU A 51 5.473 -1.567 -5.144 1.00 0.00 N ATOM 760 CA LEU A 51 6.955 -1.574 -4.961 1.00 0.00 C ATOM 761 C LEU A 51 7.634 -2.271 -6.142 1.00 0.00 C ATOM 762 O LEU A 51 8.690 -2.858 -6.005 1.00 0.00 O ATOM 763 CB LEU A 51 7.198 -2.357 -3.665 1.00 0.00 C ATOM 764 CG LEU A 51 8.311 -1.689 -2.841 1.00 0.00 C ATOM 765 CD1 LEU A 51 9.608 -1.639 -3.660 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.889 -0.264 -2.449 1.00 0.00 C ATOM 0 H LEU A 51 5.012 -2.461 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 51 7.365 -0.565 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.279 -2.401 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.476 -3.385 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 51 8.481 -2.272 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.393 -1.165 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.913 -2.652 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.441 -1.064 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.682 0.203 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.708 0.323 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.977 -0.305 -1.853 1.00 0.00 H new ATOM 778 N GLU A 52 7.030 -2.207 -7.299 1.00 0.00 N ATOM 779 CA GLU A 52 7.625 -2.860 -8.502 1.00 0.00 C ATOM 780 C GLU A 52 9.006 -2.268 -8.804 1.00 0.00 C ATOM 781 O GLU A 52 9.315 -1.159 -8.412 1.00 0.00 O ATOM 782 CB GLU A 52 6.651 -2.572 -9.653 1.00 0.00 C ATOM 783 CG GLU A 52 6.460 -1.059 -9.815 1.00 0.00 C ATOM 784 CD GLU A 52 6.271 -0.724 -11.296 1.00 0.00 C ATOM 785 OE1 GLU A 52 5.544 -1.447 -11.958 1.00 0.00 O ATOM 786 OE2 GLU A 52 6.857 0.248 -11.743 1.00 0.00 O ATOM 0 H GLU A 52 6.145 -1.728 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 52 7.765 -3.931 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.034 -2.999 -10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.691 -3.049 -9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.593 -0.728 -9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.325 -0.528 -9.419 1.00 0.00 H new ATOM 793 N ASP A 53 9.839 -3.004 -9.502 1.00 0.00 N ATOM 794 CA ASP A 53 11.212 -2.501 -9.844 1.00 0.00 C ATOM 795 C ASP A 53 11.955 -2.040 -8.584 1.00 0.00 C ATOM 796 O ASP A 53 12.878 -1.254 -8.719 1.00 0.00 O ATOM 797 CB ASP A 53 10.989 -1.322 -10.796 1.00 0.00 C ATOM 798 CG ASP A 53 12.221 -1.142 -11.684 1.00 0.00 C ATOM 799 OD1 ASP A 53 12.493 -2.033 -12.472 1.00 0.00 O ATOM 800 OD2 ASP A 53 12.873 -0.118 -11.561 1.00 0.00 O ATOM 801 OXT ASP A 53 11.585 -2.480 -7.508 1.00 0.00 O ATOM 0 H ASP A 53 9.627 -3.938 -9.852 1.00 0.00 H new ATOM 0 HA ASP A 53 11.823 -3.281 -10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.107 -1.500 -11.411 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.802 -0.412 -10.227 1.00 0.00 H new TER 806 ASP A 53