USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 290 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 104:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= -0.516 (180deg=-0.538) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= -0.0901 (180deg=-0.553) USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= -0.158 (180deg=-0.75) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -0.182 6.482 -5.013 1.00 3.11 N ATOM 66 CA TRP A 4 0.508 7.765 -5.097 1.00 20.52 C ATOM 67 C TRP A 4 -0.412 8.841 -5.662 1.00 4.31 C ATOM 68 O TRP A 4 -0.386 9.988 -5.218 1.00 14.34 O ATOM 69 CB TRP A 4 1.760 7.638 -5.967 1.00 32.34 C ATOM 70 CG TRP A 4 2.736 8.758 -5.770 1.00 54.22 C ATOM 71 CD1 TRP A 4 3.191 9.625 -6.722 1.00 72.15 C ATOM 72 CD2 TRP A 4 3.377 9.131 -4.546 1.00 24.01 C ATOM 73 NE1 TRP A 4 4.077 10.514 -6.164 1.00 10.12 N ATOM 74 CE2 TRP A 4 4.208 10.233 -4.830 1.00 31.24 C ATOM 75 CE3 TRP A 4 3.330 8.643 -3.237 1.00 72.24 C ATOM 76 CZ2 TRP A 4 4.983 10.851 -3.852 1.00 45.14 C ATOM 77 CZ3 TRP A 4 4.100 9.257 -2.269 1.00 4.32 C ATOM 78 CH2 TRP A 4 4.918 10.352 -2.580 1.00 14.21 C ATOM 0 HA TRP A 4 0.803 8.058 -4.089 1.00 20.52 H new ATOM 0 HB2 TRP A 4 2.254 6.692 -5.745 1.00 32.34 H new ATOM 0 HB3 TRP A 4 1.463 7.604 -7.015 1.00 32.34 H new ATOM 0 HD1 TRP A 4 2.897 9.613 -7.761 1.00 72.15 H new ATOM 0 HE1 TRP A 4 4.559 11.262 -6.662 1.00 10.12 H new ATOM 0 HE3 TRP A 4 2.702 7.800 -2.987 1.00 72.24 H new ATOM 0 HZ2 TRP A 4 5.614 11.695 -4.090 1.00 45.14 H new ATOM 0 HZ3 TRP A 4 4.071 8.887 -1.255 1.00 4.32 H new ATOM 0 HH2 TRP A 4 5.508 10.810 -1.800 1.00 14.21 H new ATOM 89 N GLY A 5 -1.224 8.464 -6.645 1.00 1.13 N ATOM 90 CA GLY A 5 -2.140 9.410 -7.254 1.00 14.11 C ATOM 91 C GLY A 5 -3.020 10.105 -6.233 1.00 71.43 C ATOM 92 O GLY A 5 -3.369 11.274 -6.396 1.00 72.01 O ATOM 0 H GLY A 5 -1.264 7.520 -7.030 1.00 1.13 H new ATOM 0 HA2 GLY A 5 -1.571 10.157 -7.807 1.00 14.11 H new ATOM 0 HA3 GLY A 5 -2.769 8.889 -7.976 1.00 14.11 H new ATOM 96 N LYS A 6 -3.382 9.383 -5.178 1.00 4.13 N ATOM 97 CA LYS A 6 -4.227 9.936 -4.126 1.00 24.33 C ATOM 98 C LYS A 6 -3.571 11.155 -3.485 1.00 61.12 C ATOM 99 O LYS A 6 -4.158 12.237 -3.440 1.00 34.51 O ATOM 100 CB LYS A 6 -4.508 8.875 -3.059 1.00 4.01 C ATOM 101 CG LYS A 6 -5.962 8.820 -2.624 1.00 3.43 C ATOM 102 CD LYS A 6 -6.254 7.571 -1.810 1.00 5.15 C ATOM 103 CE LYS A 6 -7.660 7.599 -1.231 1.00 70.41 C ATOM 104 NZ LYS A 6 -8.678 7.167 -2.228 1.00 73.22 N ATOM 0 H LYS A 6 -3.103 8.413 -5.029 1.00 4.13 H new ATOM 0 HA LYS A 6 -5.169 10.248 -4.577 1.00 24.33 H new ATOM 0 HB2 LYS A 6 -4.216 7.898 -3.444 1.00 4.01 H new ATOM 0 HB3 LYS A 6 -3.884 9.074 -2.188 1.00 4.01 H new ATOM 0 HG2 LYS A 6 -6.199 9.704 -2.033 1.00 3.43 H new ATOM 0 HG3 LYS A 6 -6.607 8.842 -3.503 1.00 3.43 H new ATOM 0 HD2 LYS A 6 -6.136 6.689 -2.440 1.00 5.15 H new ATOM 0 HD3 LYS A 6 -5.528 7.484 -1.001 1.00 5.15 H new ATOM 0 HE2 LYS A 6 -7.707 6.947 -0.358 1.00 70.41 H new ATOM 0 HE3 LYS A 6 -7.892 8.607 -0.889 1.00 70.41 H new ATOM 0 HZ1 LYS A 6 -9.623 7.200 -1.795 1.00 73.22 H new ATOM 0 HZ2 LYS A 6 -8.651 7.804 -3.050 1.00 73.22 H new ATOM 0 HZ3 LYS A 6 -8.472 6.195 -2.536 1.00 73.22 H new ATOM 118 N LEU A 7 -2.350 10.974 -2.993 1.00 15.04 N ATOM 119 CA LEU A 7 -1.614 12.060 -2.356 1.00 3.22 C ATOM 120 C LEU A 7 -1.334 13.184 -3.349 1.00 24.33 C ATOM 121 O LEU A 7 -1.660 14.344 -3.098 1.00 33.12 O ATOM 122 CB LEU A 7 -0.299 11.539 -1.774 1.00 64.52 C ATOM 123 CG LEU A 7 0.001 11.937 -0.329 1.00 33.35 C ATOM 124 CD1 LEU A 7 1.009 10.981 0.291 1.00 73.04 C ATOM 125 CD2 LEU A 7 0.512 13.369 -0.265 1.00 32.43 C ATOM 0 H LEU A 7 -1.849 10.086 -3.023 1.00 15.04 H new ATOM 0 HA LEU A 7 -2.229 12.458 -1.549 1.00 3.22 H new ATOM 0 HB2 LEU A 7 -0.303 10.451 -1.836 1.00 64.52 H new ATOM 0 HB3 LEU A 7 0.518 11.891 -2.404 1.00 64.52 H new ATOM 0 HG LEU A 7 -0.925 11.877 0.243 1.00 33.35 H new ATOM 0 HD11 LEU A 7 1.210 11.281 1.320 1.00 73.04 H new ATOM 0 HD12 LEU A 7 0.605 9.969 0.280 1.00 73.04 H new ATOM 0 HD13 LEU A 7 1.936 11.008 -0.282 1.00 73.04 H new ATOM 0 HD21 LEU A 7 0.720 13.635 0.771 1.00 32.43 H new ATOM 0 HD22 LEU A 7 1.426 13.456 -0.853 1.00 32.43 H new ATOM 0 HD23 LEU A 7 -0.244 14.043 -0.668 1.00 32.43 H new ATOM 137 N PHE A 8 -0.729 12.831 -4.478 1.00 45.01 N ATOM 138 CA PHE A 8 -0.406 13.809 -5.510 1.00 45.31 C ATOM 139 C PHE A 8 -1.635 14.632 -5.883 1.00 51.42 C ATOM 140 O PHE A 8 -1.631 15.859 -5.775 1.00 21.55 O ATOM 141 CB PHE A 8 0.149 13.108 -6.752 1.00 13.00 C ATOM 142 CG PHE A 8 1.378 13.764 -7.312 1.00 41.04 C ATOM 143 CD1 PHE A 8 2.543 13.837 -6.565 1.00 35.42 C ATOM 144 CD2 PHE A 8 1.370 14.308 -8.587 1.00 33.42 C ATOM 145 CE1 PHE A 8 3.675 14.440 -7.078 1.00 11.52 C ATOM 146 CE2 PHE A 8 2.499 14.912 -9.105 1.00 43.34 C ATOM 147 CZ PHE A 8 3.654 14.978 -8.350 1.00 73.21 C ATOM 0 H PHE A 8 -0.452 11.875 -4.702 1.00 45.01 H new ATOM 0 HA PHE A 8 0.353 14.482 -5.112 1.00 45.31 H new ATOM 0 HB2 PHE A 8 0.382 12.073 -6.502 1.00 13.00 H new ATOM 0 HB3 PHE A 8 -0.623 13.084 -7.521 1.00 13.00 H new ATOM 0 HD1 PHE A 8 2.566 13.418 -5.570 1.00 35.42 H new ATOM 0 HD2 PHE A 8 0.470 14.259 -9.182 1.00 33.42 H new ATOM 0 HE1 PHE A 8 4.576 14.491 -6.485 1.00 11.52 H new ATOM 0 HE2 PHE A 8 2.479 15.332 -10.100 1.00 43.34 H new ATOM 0 HZ PHE A 8 4.538 15.449 -8.753 1.00 73.21 H new ATOM 157 N SER A 9 -2.686 13.948 -6.324 1.00 51.51 N ATOM 158 CA SER A 9 -3.922 14.615 -6.718 1.00 4.42 C ATOM 159 C SER A 9 -4.420 15.535 -5.607 1.00 53.13 C ATOM 160 O SER A 9 -4.674 16.719 -5.832 1.00 13.02 O ATOM 161 CB SER A 9 -4.997 13.582 -7.061 1.00 44.42 C ATOM 162 OG SER A 9 -6.235 14.210 -7.343 1.00 55.01 O ATOM 0 H SER A 9 -2.707 12.933 -6.417 1.00 51.51 H new ATOM 0 HA SER A 9 -3.715 15.219 -7.601 1.00 4.42 H new ATOM 0 HB2 SER A 9 -4.679 12.994 -7.922 1.00 44.42 H new ATOM 0 HB3 SER A 9 -5.118 12.889 -6.229 1.00 44.42 H new ATOM 0 HG SER A 9 -6.905 13.529 -7.561 1.00 55.01 H new ATOM 168 N THR A 10 -4.559 14.981 -4.406 1.00 44.55 N ATOM 169 CA THR A 10 -5.028 15.750 -3.260 1.00 63.42 C ATOM 170 C THR A 10 -4.208 17.022 -3.078 1.00 51.04 C ATOM 171 O THR A 10 -4.761 18.113 -2.943 1.00 4.32 O ATOM 172 CB THR A 10 -4.962 14.921 -1.964 1.00 31.34 C ATOM 173 OG1 THR A 10 -5.784 13.754 -2.086 1.00 3.22 O ATOM 174 CG2 THR A 10 -5.419 15.746 -0.770 1.00 63.00 C ATOM 0 H THR A 10 -4.353 14.003 -4.202 1.00 44.55 H new ATOM 0 HA THR A 10 -6.066 16.016 -3.461 1.00 63.42 H new ATOM 0 HB THR A 10 -3.927 14.621 -1.804 1.00 31.34 H new ATOM 0 HG1 THR A 10 -5.218 12.970 -2.244 1.00 3.22 H new ATOM 0 HG21 THR A 10 -5.364 15.139 0.134 1.00 63.00 H new ATOM 0 HG22 THR A 10 -4.774 16.618 -0.662 1.00 63.00 H new ATOM 0 HG23 THR A 10 -6.447 16.073 -0.926 1.00 63.00 H new ATOM 182 N ALA A 11 -2.887 16.875 -3.077 1.00 74.53 N ATOM 183 CA ALA A 11 -1.992 18.013 -2.915 1.00 23.01 C ATOM 184 C ALA A 11 -2.278 19.090 -3.956 1.00 34.12 C ATOM 185 O ALA A 11 -2.630 20.220 -3.615 1.00 72.53 O ATOM 186 CB ALA A 11 -0.542 17.561 -3.006 1.00 23.11 C ATOM 0 H ALA A 11 -2.413 15.978 -3.187 1.00 74.53 H new ATOM 0 HA ALA A 11 -2.167 18.443 -1.929 1.00 23.01 H new ATOM 0 HB1 ALA A 11 0.116 18.421 -2.883 1.00 23.11 H new ATOM 0 HB2 ALA A 11 -0.338 16.833 -2.221 1.00 23.11 H new ATOM 0 HB3 ALA A 11 -0.364 17.104 -3.979 1.00 23.11 H new ATOM 192 N LYS A 12 -2.125 18.733 -5.227 1.00 12.53 N ATOM 193 CA LYS A 12 -2.368 19.669 -6.319 1.00 20.43 C ATOM 194 C LYS A 12 -3.751 20.301 -6.196 1.00 62.24 C ATOM 195 O LYS A 12 -3.907 21.512 -6.352 1.00 73.04 O ATOM 196 CB LYS A 12 -2.239 18.955 -7.666 1.00 40.45 C ATOM 197 CG LYS A 12 -1.812 19.871 -8.801 1.00 31.13 C ATOM 198 CD LYS A 12 -1.146 19.094 -9.924 1.00 25.03 C ATOM 199 CE LYS A 12 0.369 19.097 -9.781 1.00 52.34 C ATOM 200 NZ LYS A 12 0.799 18.659 -8.425 1.00 64.40 N ATOM 0 H LYS A 12 -1.834 17.802 -5.526 1.00 12.53 H new ATOM 0 HA LYS A 12 -1.621 20.460 -6.261 1.00 20.43 H new ATOM 0 HB2 LYS A 12 -1.515 18.146 -7.571 1.00 40.45 H new ATOM 0 HB3 LYS A 12 -3.196 18.498 -7.919 1.00 40.45 H new ATOM 0 HG2 LYS A 12 -2.682 20.400 -9.190 1.00 31.13 H new ATOM 0 HG3 LYS A 12 -1.123 20.626 -8.421 1.00 31.13 H new ATOM 0 HD2 LYS A 12 -1.511 18.067 -9.923 1.00 25.03 H new ATOM 0 HD3 LYS A 12 -1.423 19.530 -10.884 1.00 25.03 H new ATOM 0 HE2 LYS A 12 0.806 18.438 -10.531 1.00 52.34 H new ATOM 0 HE3 LYS A 12 0.750 20.099 -9.977 1.00 52.34 H new ATOM 0 HZ1 LYS A 12 1.837 18.610 -8.389 1.00 64.40 H new ATOM 0 HZ2 LYS A 12 0.460 19.341 -7.716 1.00 64.40 H new ATOM 0 HZ3 LYS A 12 0.401 17.720 -8.221 1.00 64.40 H new ATOM 214 N LYS A 13 -4.752 19.473 -5.915 1.00 3.51 N ATOM 215 CA LYS A 13 -6.122 19.951 -5.768 1.00 45.05 C ATOM 216 C LYS A 13 -6.216 21.006 -4.671 1.00 5.20 C ATOM 217 O LYS A 13 -6.679 22.123 -4.907 1.00 72.31 O ATOM 218 CB LYS A 13 -7.059 18.784 -5.450 1.00 40.03 C ATOM 219 CG LYS A 13 -8.475 18.985 -5.961 1.00 71.34 C ATOM 220 CD LYS A 13 -8.726 18.193 -7.234 1.00 32.33 C ATOM 221 CE LYS A 13 -10.158 18.358 -7.720 1.00 30.24 C ATOM 222 NZ LYS A 13 -10.399 17.626 -8.994 1.00 51.31 N ATOM 0 H LYS A 13 -4.640 18.468 -5.785 1.00 3.51 H new ATOM 0 HA LYS A 13 -6.425 20.406 -6.711 1.00 45.05 H new ATOM 0 HB2 LYS A 13 -6.651 17.872 -5.885 1.00 40.03 H new ATOM 0 HB3 LYS A 13 -7.089 18.636 -4.370 1.00 40.03 H new ATOM 0 HG2 LYS A 13 -9.186 18.678 -5.194 1.00 71.34 H new ATOM 0 HG3 LYS A 13 -8.648 20.044 -6.150 1.00 71.34 H new ATOM 0 HD2 LYS A 13 -8.037 18.523 -8.011 1.00 32.33 H new ATOM 0 HD3 LYS A 13 -8.521 17.138 -7.054 1.00 32.33 H new ATOM 0 HE2 LYS A 13 -10.845 17.994 -6.956 1.00 30.24 H new ATOM 0 HE3 LYS A 13 -10.373 19.417 -7.863 1.00 30.24 H new ATOM 0 HZ1 LYS A 13 -11.386 17.763 -9.292 1.00 51.31 H new ATOM 0 HZ2 LYS A 13 -9.761 17.991 -9.730 1.00 51.31 H new ATOM 0 HZ3 LYS A 13 -10.218 16.612 -8.851 1.00 51.31 H new ATOM 236 N LEU A 14 -5.772 20.647 -3.472 1.00 21.34 N ATOM 237 CA LEU A 14 -5.804 21.564 -2.337 1.00 75.53 C ATOM 238 C LEU A 14 -5.150 22.894 -2.694 1.00 53.50 C ATOM 239 O LEU A 14 -5.675 23.961 -2.373 1.00 42.32 O ATOM 240 CB LEU A 14 -5.097 20.941 -1.133 1.00 4.04 C ATOM 241 CG LEU A 14 -5.997 20.509 0.026 1.00 41.34 C ATOM 242 CD1 LEU A 14 -5.166 19.935 1.162 1.00 3.24 C ATOM 243 CD2 LEU A 14 -6.836 21.681 0.515 1.00 45.14 C ATOM 0 H LEU A 14 -5.385 19.727 -3.260 1.00 21.34 H new ATOM 0 HA LEU A 14 -6.847 21.751 -2.081 1.00 75.53 H new ATOM 0 HB2 LEU A 14 -4.538 20.071 -1.476 1.00 4.04 H new ATOM 0 HB3 LEU A 14 -4.369 21.658 -0.753 1.00 4.04 H new ATOM 0 HG LEU A 14 -6.670 19.731 -0.333 1.00 41.34 H new ATOM 0 HD11 LEU A 14 -5.823 19.633 1.977 1.00 3.24 H new ATOM 0 HD12 LEU A 14 -4.610 19.068 0.804 1.00 3.24 H new ATOM 0 HD13 LEU A 14 -4.468 20.691 1.520 1.00 3.24 H new ATOM 0 HD21 LEU A 14 -7.470 21.355 1.340 1.00 45.14 H new ATOM 0 HD22 LEU A 14 -6.179 22.481 0.856 1.00 45.14 H new ATOM 0 HD23 LEU A 14 -7.460 22.047 -0.300 1.00 45.14 H new ATOM 255 N TYR A 15 -4.004 22.824 -3.361 1.00 3.11 N ATOM 256 CA TYR A 15 -3.278 24.023 -3.761 1.00 43.54 C ATOM 257 C TYR A 15 -4.134 24.901 -4.669 1.00 40.03 C ATOM 258 O TYR A 15 -4.482 26.028 -4.316 1.00 31.22 O ATOM 259 CB TYR A 15 -1.980 23.644 -4.476 1.00 43.34 C ATOM 260 CG TYR A 15 -1.251 24.826 -5.075 1.00 61.03 C ATOM 261 CD1 TYR A 15 -0.441 25.638 -4.291 1.00 62.03 C ATOM 262 CD2 TYR A 15 -1.372 25.130 -6.426 1.00 22.22 C ATOM 263 CE1 TYR A 15 0.226 26.719 -4.834 1.00 62.03 C ATOM 264 CE2 TYR A 15 -0.707 26.208 -6.978 1.00 33.13 C ATOM 265 CZ TYR A 15 0.090 27.000 -6.178 1.00 30.31 C ATOM 266 OH TYR A 15 0.754 28.075 -6.723 1.00 31.22 O ATOM 0 H TYR A 15 -3.557 21.949 -3.636 1.00 3.11 H new ATOM 0 HA TYR A 15 -3.038 24.588 -2.861 1.00 43.54 H new ATOM 0 HB2 TYR A 15 -1.320 23.141 -3.770 1.00 43.34 H new ATOM 0 HB3 TYR A 15 -2.206 22.929 -5.267 1.00 43.34 H new ATOM 0 HD1 TYR A 15 -0.331 25.420 -3.239 1.00 62.03 H new ATOM 0 HD2 TYR A 15 -1.997 24.513 -7.055 1.00 22.22 H new ATOM 0 HE1 TYR A 15 0.851 27.341 -4.210 1.00 62.03 H new ATOM 0 HE2 TYR A 15 -0.811 26.429 -8.030 1.00 33.13 H new ATOM 0 HH TYR A 15 0.552 28.133 -7.680 1.00 31.22 H new ATOM 276 N LYS A 16 -4.471 24.376 -5.842 1.00 70.42 N ATOM 277 CA LYS A 16 -5.288 25.108 -6.803 1.00 33.35 C ATOM 278 C LYS A 16 -6.563 25.629 -6.147 1.00 2.05 C ATOM 279 O LYS A 16 -6.858 26.823 -6.201 1.00 3.24 O ATOM 280 CB LYS A 16 -5.644 24.210 -7.990 1.00 4.01 C ATOM 281 CG LYS A 16 -5.157 24.747 -9.325 1.00 74.31 C ATOM 282 CD LYS A 16 -4.352 23.706 -10.084 1.00 43.14 C ATOM 283 CE LYS A 16 -5.233 22.568 -10.575 1.00 72.04 C ATOM 284 NZ LYS A 16 -4.520 21.693 -11.547 1.00 0.31 N ATOM 0 H LYS A 16 -4.191 23.445 -6.151 1.00 70.42 H new ATOM 0 HA LYS A 16 -4.709 25.960 -7.160 1.00 33.35 H new ATOM 0 HB2 LYS A 16 -5.216 23.221 -7.828 1.00 4.01 H new ATOM 0 HB3 LYS A 16 -6.726 24.087 -8.030 1.00 4.01 H new ATOM 0 HG2 LYS A 16 -6.011 25.058 -9.927 1.00 74.31 H new ATOM 0 HG3 LYS A 16 -4.544 25.633 -9.160 1.00 74.31 H new ATOM 0 HD2 LYS A 16 -3.857 24.176 -10.933 1.00 43.14 H new ATOM 0 HD3 LYS A 16 -3.569 23.309 -9.438 1.00 43.14 H new ATOM 0 HE2 LYS A 16 -5.563 21.972 -9.724 1.00 72.04 H new ATOM 0 HE3 LYS A 16 -6.128 22.978 -11.044 1.00 72.04 H new ATOM 0 HZ1 LYS A 16 -5.155 20.930 -11.858 1.00 0.31 H new ATOM 0 HZ2 LYS A 16 -4.227 22.256 -12.371 1.00 0.31 H new ATOM 0 HZ3 LYS A 16 -3.680 21.281 -11.092 1.00 0.31 H new ATOM 298 N LYS A 17 -7.315 24.727 -5.526 1.00 30.33 N ATOM 299 CA LYS A 17 -8.557 25.095 -4.856 1.00 42.03 C ATOM 300 C LYS A 17 -8.324 26.229 -3.863 1.00 40.44 C ATOM 301 O LYS A 17 -9.067 27.210 -3.841 1.00 64.11 O ATOM 302 CB LYS A 17 -9.149 23.883 -4.133 1.00 12.51 C ATOM 303 CG LYS A 17 -10.482 24.167 -3.463 1.00 13.13 C ATOM 304 CD LYS A 17 -11.628 24.127 -4.460 1.00 62.03 C ATOM 305 CE LYS A 17 -12.341 22.784 -4.436 1.00 34.02 C ATOM 306 NZ LYS A 17 -13.002 22.531 -3.125 1.00 64.52 N ATOM 0 H LYS A 17 -7.086 23.735 -5.473 1.00 30.33 H new ATOM 0 HA LYS A 17 -9.262 25.438 -5.614 1.00 42.03 H new ATOM 0 HB2 LYS A 17 -9.277 23.070 -4.848 1.00 12.51 H new ATOM 0 HB3 LYS A 17 -8.440 23.537 -3.381 1.00 12.51 H new ATOM 0 HG2 LYS A 17 -10.658 23.434 -2.676 1.00 13.13 H new ATOM 0 HG3 LYS A 17 -10.449 25.146 -2.985 1.00 13.13 H new ATOM 0 HD2 LYS A 17 -12.338 24.921 -4.231 1.00 62.03 H new ATOM 0 HD3 LYS A 17 -11.246 24.320 -5.463 1.00 62.03 H new ATOM 0 HE2 LYS A 17 -13.087 22.754 -5.231 1.00 34.02 H new ATOM 0 HE3 LYS A 17 -11.625 21.989 -4.641 1.00 34.02 H new ATOM 0 HZ1 LYS A 17 -13.823 21.909 -3.265 1.00 64.52 H new ATOM 0 HZ2 LYS A 17 -12.327 22.074 -2.479 1.00 64.52 H new ATOM 0 HZ3 LYS A 17 -13.317 23.433 -2.715 1.00 64.52 H new ATOM 320 N GLY A 18 -7.286 26.089 -3.044 1.00 12.11 N ATOM 321 CA GLY A 18 -6.974 27.110 -2.061 1.00 43.23 C ATOM 322 C GLY A 18 -6.774 28.476 -2.688 1.00 24.11 C ATOM 323 O GLY A 18 -7.478 29.430 -2.355 1.00 64.52 O ATOM 0 H GLY A 18 -6.656 25.287 -3.044 1.00 12.11 H new ATOM 0 HA2 GLY A 18 -7.780 27.164 -1.329 1.00 43.23 H new ATOM 0 HA3 GLY A 18 -6.071 26.826 -1.520 1.00 43.23 H new ATOM 327 N LYS A 19 -5.809 28.572 -3.597 1.00 54.31 N ATOM 328 CA LYS A 19 -5.517 29.831 -4.272 1.00 50.13 C ATOM 329 C LYS A 19 -6.784 30.435 -4.870 1.00 62.24 C ATOM 330 O LYS A 19 -7.149 31.570 -4.562 1.00 64.35 O ATOM 331 CB LYS A 19 -4.475 29.614 -5.372 1.00 23.14 C ATOM 332 CG LYS A 19 -3.580 30.818 -5.608 1.00 4.04 C ATOM 333 CD LYS A 19 -3.808 31.422 -6.983 1.00 72.21 C ATOM 334 CE LYS A 19 -2.736 30.984 -7.969 1.00 72.22 C ATOM 335 NZ LYS A 19 -1.377 31.416 -7.540 1.00 15.22 N ATOM 0 H LYS A 19 -5.216 27.793 -3.883 1.00 54.31 H new ATOM 0 HA LYS A 19 -5.118 30.526 -3.533 1.00 50.13 H new ATOM 0 HB2 LYS A 19 -3.855 28.757 -5.109 1.00 23.14 H new ATOM 0 HB3 LYS A 19 -4.987 29.364 -6.301 1.00 23.14 H new ATOM 0 HG2 LYS A 19 -3.772 31.570 -4.843 1.00 4.04 H new ATOM 0 HG3 LYS A 19 -2.536 30.521 -5.509 1.00 4.04 H new ATOM 0 HD2 LYS A 19 -4.789 31.124 -7.354 1.00 72.21 H new ATOM 0 HD3 LYS A 19 -3.812 32.509 -6.908 1.00 72.21 H new ATOM 0 HE2 LYS A 19 -2.757 29.899 -8.070 1.00 72.22 H new ATOM 0 HE3 LYS A 19 -2.956 31.400 -8.952 1.00 72.22 H new ATOM 0 HZ1 LYS A 19 -0.787 31.590 -8.379 1.00 15.22 H new ATOM 0 HZ2 LYS A 19 -1.451 32.290 -6.981 1.00 15.22 H new ATOM 0 HZ3 LYS A 19 -0.942 30.670 -6.960 1.00 15.22 H new ATOM 349 N LYS A 20 -7.452 29.669 -5.726 1.00 21.41 N ATOM 350 CA LYS A 20 -8.680 30.126 -6.366 1.00 22.25 C ATOM 351 C LYS A 20 -9.732 30.492 -5.324 1.00 11.32 C ATOM 352 O LYS A 20 -10.617 31.310 -5.581 1.00 61.32 O ATOM 353 CB LYS A 20 -9.226 29.044 -7.299 1.00 75.52 C ATOM 354 CG LYS A 20 -8.573 29.036 -8.670 1.00 63.11 C ATOM 355 CD LYS A 20 -9.338 29.901 -9.658 1.00 21.33 C ATOM 356 CE LYS A 20 -10.554 29.173 -10.210 1.00 42.05 C ATOM 357 NZ LYS A 20 -11.322 30.021 -11.164 1.00 24.11 N ATOM 0 H LYS A 20 -7.163 28.728 -5.993 1.00 21.41 H new ATOM 0 HA LYS A 20 -8.447 31.016 -6.950 1.00 22.25 H new ATOM 0 HB2 LYS A 20 -9.084 28.069 -6.833 1.00 75.52 H new ATOM 0 HB3 LYS A 20 -10.300 29.187 -7.418 1.00 75.52 H new ATOM 0 HG2 LYS A 20 -7.548 29.396 -8.588 1.00 63.11 H new ATOM 0 HG3 LYS A 20 -8.522 28.013 -9.044 1.00 63.11 H new ATOM 0 HD2 LYS A 20 -9.655 30.822 -9.168 1.00 21.33 H new ATOM 0 HD3 LYS A 20 -8.680 30.187 -10.479 1.00 21.33 H new ATOM 0 HE2 LYS A 20 -10.234 28.260 -10.712 1.00 42.05 H new ATOM 0 HE3 LYS A 20 -11.203 28.873 -9.387 1.00 42.05 H new ATOM 0 HZ1 LYS A 20 -12.143 29.489 -11.518 1.00 24.11 H new ATOM 0 HZ2 LYS A 20 -11.649 30.880 -10.679 1.00 24.11 H new ATOM 0 HZ3 LYS A 20 -10.711 30.286 -11.963 1.00 24.11 H new ATOM 473 N PHE A 27 -18.169 34.293 -7.123 1.00 0.33 N ATOM 474 CA PHE A 27 -19.341 34.181 -6.263 1.00 33.42 C ATOM 475 C PHE A 27 -20.355 35.276 -6.579 1.00 53.13 C ATOM 476 O PHE A 27 -21.563 35.079 -6.442 1.00 1.32 O ATOM 477 CB PHE A 27 -18.930 34.260 -4.791 1.00 52.31 C ATOM 478 CG PHE A 27 -19.478 33.140 -3.954 1.00 71.12 C ATOM 479 CD1 PHE A 27 -20.805 33.140 -3.556 1.00 72.43 C ATOM 480 CD2 PHE A 27 -18.666 32.087 -3.565 1.00 4.22 C ATOM 481 CE1 PHE A 27 -21.313 32.110 -2.786 1.00 63.14 C ATOM 482 CE2 PHE A 27 -19.167 31.055 -2.795 1.00 75.33 C ATOM 483 CZ PHE A 27 -20.492 31.067 -2.405 1.00 33.44 C ATOM 0 HA PHE A 27 -19.807 33.214 -6.451 1.00 33.42 H new ATOM 0 HB2 PHE A 27 -17.842 34.253 -4.725 1.00 52.31 H new ATOM 0 HB3 PHE A 27 -19.268 35.210 -4.378 1.00 52.31 H new ATOM 0 HD1 PHE A 27 -21.450 33.954 -3.851 1.00 72.43 H new ATOM 0 HD2 PHE A 27 -17.629 32.073 -3.867 1.00 4.22 H new ATOM 0 HE1 PHE A 27 -22.350 32.121 -2.483 1.00 63.14 H new ATOM 0 HE2 PHE A 27 -18.523 30.240 -2.498 1.00 75.33 H new ATOM 0 HZ PHE A 27 -20.886 30.262 -1.803 1.00 33.44 H new ATOM 493 N LYS A 28 -19.856 36.432 -7.004 1.00 24.33 N ATOM 494 CA LYS A 28 -20.715 37.560 -7.341 1.00 74.11 C ATOM 495 C LYS A 28 -21.662 37.201 -8.482 1.00 64.33 C ATOM 496 O LYS A 28 -22.882 37.263 -8.334 1.00 13.13 O ATOM 497 CB LYS A 28 -19.869 38.774 -7.729 1.00 51.43 C ATOM 498 CG LYS A 28 -19.936 39.909 -6.722 1.00 1.30 C ATOM 499 CD LYS A 28 -18.852 39.781 -5.665 1.00 30.02 C ATOM 500 CE LYS A 28 -18.970 40.871 -4.610 1.00 73.42 C ATOM 501 NZ LYS A 28 -18.798 40.331 -3.233 1.00 73.40 N ATOM 0 H LYS A 28 -18.859 36.612 -7.123 1.00 24.33 H new ATOM 0 HA LYS A 28 -21.310 37.806 -6.462 1.00 74.11 H new ATOM 0 HB2 LYS A 28 -18.831 38.461 -7.843 1.00 51.43 H new ATOM 0 HB3 LYS A 28 -20.200 39.141 -8.700 1.00 51.43 H new ATOM 0 HG2 LYS A 28 -19.830 40.862 -7.239 1.00 1.30 H new ATOM 0 HG3 LYS A 28 -20.915 39.914 -6.242 1.00 1.30 H new ATOM 0 HD2 LYS A 28 -18.921 38.803 -5.188 1.00 30.02 H new ATOM 0 HD3 LYS A 28 -17.872 39.836 -6.139 1.00 30.02 H new ATOM 0 HE2 LYS A 28 -18.219 41.639 -4.795 1.00 73.42 H new ATOM 0 HE3 LYS A 28 -19.945 41.352 -4.692 1.00 73.42 H new ATOM 0 HZ1 LYS A 28 -18.885 41.105 -2.543 1.00 73.40 H new ATOM 0 HZ2 LYS A 28 -19.530 39.616 -3.046 1.00 73.40 H new ATOM 0 HZ3 LYS A 28 -17.858 39.894 -3.146 1.00 73.40 H new ATOM 515 N LYS A 29 -21.091 36.823 -9.621 1.00 50.12 N ATOM 516 CA LYS A 29 -21.883 36.451 -10.788 1.00 22.34 C ATOM 517 C LYS A 29 -22.691 35.186 -10.515 1.00 70.04 C ATOM 518 O LYS A 29 -23.874 35.111 -10.845 1.00 13.40 O ATOM 519 CB LYS A 29 -20.974 36.237 -12.000 1.00 25.43 C ATOM 520 CG LYS A 29 -21.292 37.153 -13.169 1.00 34.54 C ATOM 521 CD LYS A 29 -21.223 38.616 -12.766 1.00 25.15 C ATOM 522 CE LYS A 29 -20.771 39.492 -13.924 1.00 3.12 C ATOM 523 NZ LYS A 29 -19.385 40.000 -13.727 1.00 63.14 N ATOM 0 H LYS A 29 -20.082 36.766 -9.761 1.00 50.12 H new ATOM 0 HA LYS A 29 -22.576 37.265 -11.001 1.00 22.34 H new ATOM 0 HB2 LYS A 29 -19.938 36.393 -11.699 1.00 25.43 H new ATOM 0 HB3 LYS A 29 -21.058 35.201 -12.328 1.00 25.43 H new ATOM 0 HG2 LYS A 29 -20.590 36.965 -13.981 1.00 34.54 H new ATOM 0 HG3 LYS A 29 -22.288 36.926 -13.550 1.00 34.54 H new ATOM 0 HD2 LYS A 29 -22.203 38.946 -12.420 1.00 25.15 H new ATOM 0 HD3 LYS A 29 -20.534 38.732 -11.930 1.00 25.15 H new ATOM 0 HE2 LYS A 29 -20.820 38.922 -14.852 1.00 3.12 H new ATOM 0 HE3 LYS A 29 -21.455 40.334 -14.031 1.00 3.12 H new ATOM 0 HZ1 LYS A 29 -19.114 40.593 -14.537 1.00 63.14 H new ATOM 0 HZ2 LYS A 29 -19.343 40.565 -12.855 1.00 63.14 H new ATOM 0 HZ3 LYS A 29 -18.729 39.197 -13.651 1.00 63.14 H new ATOM 537 N ALA A 30 -22.044 34.195 -9.911 1.00 34.32 N ATOM 538 CA ALA A 30 -22.704 32.935 -9.591 1.00 74.02 C ATOM 539 C ALA A 30 -23.925 33.164 -8.706 1.00 24.44 C ATOM 540 O ALA A 30 -24.989 32.589 -8.937 1.00 71.12 O ATOM 541 CB ALA A 30 -21.728 31.985 -8.913 1.00 73.12 C ATOM 0 H ALA A 30 -21.064 34.240 -9.633 1.00 34.32 H new ATOM 0 HA ALA A 30 -23.044 32.484 -10.523 1.00 74.02 H new ATOM 0 HB1 ALA A 30 -22.234 31.048 -8.680 1.00 73.12 H new ATOM 0 HB2 ALA A 30 -20.889 31.788 -9.581 1.00 73.12 H new ATOM 0 HB3 ALA A 30 -21.360 32.438 -7.992 1.00 73.12 H new ATOM 547 N LEU A 31 -23.763 34.005 -7.691 1.00 15.25 N ATOM 548 CA LEU A 31 -24.853 34.310 -6.769 1.00 25.42 C ATOM 549 C LEU A 31 -25.968 35.072 -7.477 1.00 1.24 C ATOM 550 O LEU A 31 -27.105 34.606 -7.548 1.00 52.13 O ATOM 551 CB LEU A 31 -24.332 35.127 -5.585 1.00 62.12 C ATOM 552 CG LEU A 31 -25.365 35.500 -4.521 1.00 44.43 C ATOM 553 CD1 LEU A 31 -25.836 34.261 -3.777 1.00 31.03 C ATOM 554 CD2 LEU A 31 -24.786 36.520 -3.551 1.00 20.20 C ATOM 0 H LEU A 31 -22.889 34.488 -7.485 1.00 15.25 H new ATOM 0 HA LEU A 31 -25.260 33.368 -6.401 1.00 25.42 H new ATOM 0 HB2 LEU A 31 -23.532 34.564 -5.104 1.00 62.12 H new ATOM 0 HB3 LEU A 31 -23.888 36.045 -5.970 1.00 62.12 H new ATOM 0 HG LEU A 31 -26.225 35.948 -5.018 1.00 44.43 H new ATOM 0 HD11 LEU A 31 -26.571 34.546 -3.024 1.00 31.03 H new ATOM 0 HD12 LEU A 31 -26.290 33.564 -4.482 1.00 31.03 H new ATOM 0 HD13 LEU A 31 -24.985 33.783 -3.291 1.00 31.03 H new ATOM 0 HD21 LEU A 31 -25.535 36.774 -2.801 1.00 20.20 H new ATOM 0 HD22 LEU A 31 -23.909 36.098 -3.060 1.00 20.20 H new ATOM 0 HD23 LEU A 31 -24.499 37.419 -4.097 1.00 20.20 H new ATOM 566 N LYS A 32 -25.634 36.247 -8.000 1.00 73.25 N ATOM 567 CA LYS A 32 -26.606 37.074 -8.706 1.00 64.15 C ATOM 568 C LYS A 32 -27.324 36.269 -9.785 1.00 45.12 C ATOM 569 O LYS A 32 -28.549 36.151 -9.774 1.00 10.53 O ATOM 570 CB LYS A 32 -25.914 38.286 -9.335 1.00 24.51 C ATOM 571 CG LYS A 32 -25.969 39.534 -8.471 1.00 31.51 C ATOM 572 CD LYS A 32 -26.389 40.751 -9.277 1.00 12.43 C ATOM 573 CE LYS A 32 -26.250 42.031 -8.466 1.00 71.03 C ATOM 574 NZ LYS A 32 -27.300 43.027 -8.818 1.00 31.24 N ATOM 0 H LYS A 32 -24.698 36.648 -7.948 1.00 73.25 H new ATOM 0 HA LYS A 32 -27.345 37.419 -7.983 1.00 64.15 H new ATOM 0 HB2 LYS A 32 -24.871 38.037 -9.532 1.00 24.51 H new ATOM 0 HB3 LYS A 32 -26.378 38.500 -10.298 1.00 24.51 H new ATOM 0 HG2 LYS A 32 -26.670 39.380 -7.651 1.00 31.51 H new ATOM 0 HG3 LYS A 32 -24.991 39.712 -8.024 1.00 31.51 H new ATOM 0 HD2 LYS A 32 -25.778 40.821 -10.177 1.00 12.43 H new ATOM 0 HD3 LYS A 32 -27.423 40.635 -9.601 1.00 12.43 H new ATOM 0 HE2 LYS A 32 -26.313 41.796 -7.403 1.00 71.03 H new ATOM 0 HE3 LYS A 32 -25.265 42.465 -8.638 1.00 71.03 H new ATOM 0 HZ1 LYS A 32 -27.171 43.885 -8.244 1.00 31.24 H new ATOM 0 HZ2 LYS A 32 -27.224 43.270 -9.826 1.00 31.24 H new ATOM 0 HZ3 LYS A 32 -28.239 42.622 -8.630 1.00 31.24 H new ATOM 588 N PHE A 33 -26.553 35.716 -10.715 1.00 63.55 N ATOM 589 CA PHE A 33 -27.115 34.921 -11.801 1.00 54.01 C ATOM 590 C PHE A 33 -28.007 33.809 -11.256 1.00 10.21 C ATOM 591 O PHE A 33 -29.182 33.712 -11.607 1.00 51.30 O ATOM 592 CB PHE A 33 -25.997 34.321 -12.655 1.00 23.40 C ATOM 593 CG PHE A 33 -26.466 33.816 -13.990 1.00 12.34 C ATOM 594 CD1 PHE A 33 -27.261 34.607 -14.804 1.00 3.44 C ATOM 595 CD2 PHE A 33 -26.113 32.551 -14.430 1.00 35.31 C ATOM 596 CE1 PHE A 33 -27.694 34.147 -16.033 1.00 32.55 C ATOM 597 CE2 PHE A 33 -26.544 32.085 -15.658 1.00 25.31 C ATOM 598 CZ PHE A 33 -27.336 32.883 -16.460 1.00 2.03 C ATOM 0 H PHE A 33 -25.537 35.804 -10.739 1.00 63.55 H new ATOM 0 HA PHE A 33 -27.723 35.579 -12.422 1.00 54.01 H new ATOM 0 HB2 PHE A 33 -25.226 35.075 -12.812 1.00 23.40 H new ATOM 0 HB3 PHE A 33 -25.534 33.500 -12.108 1.00 23.40 H new ATOM 0 HD1 PHE A 33 -27.546 35.595 -14.474 1.00 3.44 H new ATOM 0 HD2 PHE A 33 -25.494 31.922 -13.807 1.00 35.31 H new ATOM 0 HE1 PHE A 33 -28.311 34.775 -16.659 1.00 32.55 H new ATOM 0 HE2 PHE A 33 -26.261 31.097 -15.990 1.00 25.31 H new ATOM 0 HZ PHE A 33 -27.675 32.520 -17.419 1.00 2.03 H new ATOM 608 N GLY A 34 -27.438 32.971 -10.395 1.00 30.03 N ATOM 609 CA GLY A 34 -28.194 31.876 -9.815 1.00 13.51 C ATOM 610 C GLY A 34 -29.494 32.339 -9.187 1.00 73.41 C ATOM 611 O GLY A 34 -30.541 31.719 -9.380 1.00 3.21 O ATOM 0 H GLY A 34 -26.467 33.031 -10.089 1.00 30.03 H new ATOM 0 HA2 GLY A 34 -28.410 31.138 -10.588 1.00 13.51 H new ATOM 0 HA3 GLY A 34 -27.586 31.378 -9.060 1.00 13.51 H new ATOM 615 N LYS A 35 -29.429 33.430 -8.432 1.00 35.35 N ATOM 616 CA LYS A 35 -30.610 33.975 -7.772 1.00 2.31 C ATOM 617 C LYS A 35 -31.696 34.309 -8.789 1.00 51.33 C ATOM 618 O LYS A 35 -32.815 33.805 -8.703 1.00 72.41 O ATOM 619 CB LYS A 35 -30.240 35.228 -6.975 1.00 14.25 C ATOM 620 CG LYS A 35 -29.517 34.929 -5.673 1.00 14.44 C ATOM 621 CD LYS A 35 -30.452 34.314 -4.644 1.00 63.15 C ATOM 622 CE LYS A 35 -31.033 35.370 -3.717 1.00 22.23 C ATOM 623 NZ LYS A 35 -31.304 34.825 -2.357 1.00 44.33 N ATOM 0 H LYS A 35 -28.571 33.955 -8.262 1.00 35.35 H new ATOM 0 HA LYS A 35 -30.997 33.218 -7.090 1.00 2.31 H new ATOM 0 HB2 LYS A 35 -29.610 35.868 -7.592 1.00 14.25 H new ATOM 0 HB3 LYS A 35 -31.148 35.790 -6.756 1.00 14.25 H new ATOM 0 HG2 LYS A 35 -28.687 34.249 -5.865 1.00 14.44 H new ATOM 0 HG3 LYS A 35 -29.089 35.849 -5.274 1.00 14.44 H new ATOM 0 HD2 LYS A 35 -31.261 33.790 -5.153 1.00 63.15 H new ATOM 0 HD3 LYS A 35 -29.911 33.571 -4.057 1.00 63.15 H new ATOM 0 HE2 LYS A 35 -30.340 36.208 -3.641 1.00 22.23 H new ATOM 0 HE3 LYS A 35 -31.958 35.759 -4.144 1.00 22.23 H new ATOM 0 HZ1 LYS A 35 -31.699 35.575 -1.755 1.00 44.33 H new ATOM 0 HZ2 LYS A 35 -31.985 34.042 -2.426 1.00 44.33 H new ATOM 0 HZ3 LYS A 35 -30.417 34.477 -1.939 1.00 44.33 H new ATOM 637 N GLN A 36 -31.357 35.161 -9.752 1.00 34.02 N ATOM 638 CA GLN A 36 -32.305 35.561 -10.786 1.00 22.34 C ATOM 639 C GLN A 36 -32.789 34.351 -11.577 1.00 72.54 C ATOM 640 O GLN A 36 -33.888 34.359 -12.134 1.00 30.21 O ATOM 641 CB GLN A 36 -31.663 36.579 -11.729 1.00 65.35 C ATOM 642 CG GLN A 36 -32.542 37.786 -12.011 1.00 41.24 C ATOM 643 CD GLN A 36 -33.348 37.636 -13.286 1.00 53.03 C ATOM 644 OE1 GLN A 36 -32.963 36.901 -14.196 1.00 25.45 O ATOM 645 NE2 GLN A 36 -34.476 38.334 -13.360 1.00 24.12 N ATOM 0 H GLN A 36 -30.434 35.587 -9.838 1.00 34.02 H new ATOM 0 HA GLN A 36 -33.165 36.021 -10.298 1.00 22.34 H new ATOM 0 HB2 GLN A 36 -30.722 36.919 -11.297 1.00 65.35 H new ATOM 0 HB3 GLN A 36 -31.422 36.087 -12.671 1.00 65.35 H new ATOM 0 HG2 GLN A 36 -33.221 37.940 -11.172 1.00 41.24 H new ATOM 0 HG3 GLN A 36 -31.918 38.676 -12.083 1.00 41.24 H new ATOM 0 HE21 GLN A 36 -34.758 38.931 -12.583 1.00 24.12 H new ATOM 0 HE22 GLN A 36 -35.060 38.273 -14.194 1.00 24.12 H new ATOM 654 N LEU A 37 -31.963 33.311 -11.624 1.00 40.44 N ATOM 655 CA LEU A 37 -32.307 32.093 -12.349 1.00 21.33 C ATOM 656 C LEU A 37 -33.371 31.296 -11.600 1.00 50.34 C ATOM 657 O LEU A 37 -34.468 31.073 -12.112 1.00 44.13 O ATOM 658 CB LEU A 37 -31.060 31.230 -12.556 1.00 55.55 C ATOM 659 CG LEU A 37 -30.653 30.978 -14.009 1.00 13.24 C ATOM 660 CD1 LEU A 37 -31.830 30.438 -14.807 1.00 1.42 C ATOM 661 CD2 LEU A 37 -30.117 32.254 -14.642 1.00 14.04 C ATOM 0 H LEU A 37 -31.051 33.287 -11.169 1.00 40.44 H new ATOM 0 HA LEU A 37 -32.710 32.379 -13.321 1.00 21.33 H new ATOM 0 HB2 LEU A 37 -30.224 31.705 -12.042 1.00 55.55 H new ATOM 0 HB3 LEU A 37 -31.225 30.267 -12.073 1.00 55.55 H new ATOM 0 HG LEU A 37 -29.860 30.230 -14.020 1.00 13.24 H new ATOM 0 HD11 LEU A 37 -31.522 30.265 -15.838 1.00 1.42 H new ATOM 0 HD12 LEU A 37 -32.168 29.500 -14.367 1.00 1.42 H new ATOM 0 HD13 LEU A 37 -32.645 31.162 -14.789 1.00 1.42 H new ATOM 0 HD21 LEU A 37 -29.832 32.056 -15.675 1.00 14.04 H new ATOM 0 HD22 LEU A 37 -30.889 33.023 -14.619 1.00 14.04 H new ATOM 0 HD23 LEU A 37 -29.245 32.598 -14.085 1.00 14.04 H new ATOM 673 N ALA A 38 -33.040 30.872 -10.385 1.00 40.41 N ATOM 674 CA ALA A 38 -33.969 30.105 -9.565 1.00 25.15 C ATOM 675 C ALA A 38 -35.283 30.855 -9.375 1.00 24.02 C ATOM 676 O ALA A 38 -36.356 30.252 -9.352 1.00 40.42 O ATOM 677 CB ALA A 38 -33.341 29.786 -8.216 1.00 31.24 C ATOM 0 H ALA A 38 -32.136 31.047 -9.947 1.00 40.41 H new ATOM 0 HA ALA A 38 -34.187 29.171 -10.083 1.00 25.15 H new ATOM 0 HB1 ALA A 38 -34.045 29.213 -7.613 1.00 31.24 H new ATOM 0 HB2 ALA A 38 -32.433 29.202 -8.366 1.00 31.24 H new ATOM 0 HB3 ALA A 38 -33.094 30.714 -7.701 1.00 31.24 H new ATOM 683 N LYS A 39 -35.191 32.173 -9.238 1.00 13.51 N ATOM 684 CA LYS A 39 -36.373 33.007 -9.050 1.00 43.35 C ATOM 685 C LYS A 39 -37.389 32.769 -10.163 1.00 30.24 C ATOM 686 O LYS A 39 -38.590 32.947 -9.967 1.00 13.31 O ATOM 687 CB LYS A 39 -35.978 34.485 -9.014 1.00 13.52 C ATOM 688 CG LYS A 39 -36.934 35.350 -8.210 1.00 3.14 C ATOM 689 CD LYS A 39 -36.663 35.242 -6.718 1.00 60.14 C ATOM 690 CE LYS A 39 -37.727 34.411 -6.018 1.00 11.35 C ATOM 691 NZ LYS A 39 -37.417 34.216 -4.574 1.00 41.02 N ATOM 0 H LYS A 39 -34.310 32.687 -9.254 1.00 13.51 H new ATOM 0 HA LYS A 39 -36.831 32.736 -8.099 1.00 43.35 H new ATOM 0 HB2 LYS A 39 -34.977 34.575 -8.592 1.00 13.52 H new ATOM 0 HB3 LYS A 39 -35.929 34.864 -10.035 1.00 13.52 H new ATOM 0 HG2 LYS A 39 -36.837 36.389 -8.524 1.00 3.14 H new ATOM 0 HG3 LYS A 39 -37.961 35.048 -8.417 1.00 3.14 H new ATOM 0 HD2 LYS A 39 -35.683 34.792 -6.557 1.00 60.14 H new ATOM 0 HD3 LYS A 39 -36.632 36.239 -6.279 1.00 60.14 H new ATOM 0 HE2 LYS A 39 -38.695 34.901 -6.119 1.00 11.35 H new ATOM 0 HE3 LYS A 39 -37.809 33.440 -6.506 1.00 11.35 H new ATOM 0 HZ1 LYS A 39 -38.166 33.645 -4.132 1.00 41.02 H new ATOM 0 HZ2 LYS A 39 -36.505 33.726 -4.478 1.00 41.02 H new ATOM 0 HZ3 LYS A 39 -37.364 35.141 -4.102 1.00 41.02 H new