USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 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 Set 1.1: A 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -151:sc= -0.126 (180deg=-0.81) 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 94:sc= 1.25 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= -0.167 (180deg=-0.369) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.124 K(o=-0.12,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N TRP A 4 -4.087 7.970 -2.050 1.00 22.24 N ATOM 66 CA TRP A 4 -4.175 9.124 -1.162 1.00 20.21 C ATOM 67 C TRP A 4 -3.560 10.359 -1.812 1.00 34.44 C ATOM 68 O TRP A 4 -4.115 11.454 -1.733 1.00 2.01 O ATOM 69 CB TRP A 4 -3.473 8.827 0.165 1.00 54.55 C ATOM 70 CG TRP A 4 -4.346 8.114 1.152 1.00 74.22 C ATOM 71 CD1 TRP A 4 -4.114 6.894 1.719 1.00 21.45 C ATOM 72 CD2 TRP A 4 -5.592 8.576 1.686 1.00 42.13 C ATOM 73 NE1 TRP A 4 -5.140 6.570 2.574 1.00 20.51 N ATOM 74 CE2 TRP A 4 -6.059 7.586 2.572 1.00 64.41 C ATOM 75 CE3 TRP A 4 -6.357 9.731 1.503 1.00 10.12 C ATOM 76 CZ2 TRP A 4 -7.256 7.717 3.271 1.00 63.34 C ATOM 77 CZ3 TRP A 4 -7.545 9.860 2.197 1.00 30.52 C ATOM 78 CH2 TRP A 4 -7.985 8.858 3.073 1.00 62.33 C ATOM 0 HA TRP A 4 -5.229 9.324 -0.970 1.00 20.21 H new ATOM 0 HB2 TRP A 4 -2.587 8.223 -0.028 1.00 54.55 H new ATOM 0 HB3 TRP A 4 -3.130 9.764 0.604 1.00 54.55 H new ATOM 0 HD1 TRP A 4 -3.251 6.275 1.524 1.00 21.45 H new ATOM 0 HE1 TRP A 4 -5.207 5.712 3.121 1.00 20.51 H new ATOM 0 HE3 TRP A 4 -6.026 10.509 0.831 1.00 10.12 H new ATOM 0 HZ2 TRP A 4 -7.597 6.946 3.945 1.00 63.34 H new ATOM 0 HZ3 TRP A 4 -8.145 10.748 2.062 1.00 30.52 H new ATOM 0 HH2 TRP A 4 -8.917 8.989 3.602 1.00 62.33 H new ATOM 89 N GLY A 5 -2.411 10.174 -2.454 1.00 41.22 N ATOM 90 CA GLY A 5 -1.741 11.283 -3.108 1.00 64.32 C ATOM 91 C GLY A 5 -2.615 11.958 -4.146 1.00 10.42 C ATOM 92 O GLY A 5 -2.581 13.180 -4.298 1.00 65.41 O ATOM 0 H GLY A 5 -1.932 9.277 -2.533 1.00 41.22 H new ATOM 0 HA2 GLY A 5 -1.441 12.015 -2.358 1.00 64.32 H new ATOM 0 HA3 GLY A 5 -0.829 10.923 -3.584 1.00 64.32 H new ATOM 96 N LYS A 6 -3.401 11.163 -4.863 1.00 61.15 N ATOM 97 CA LYS A 6 -4.289 11.690 -5.893 1.00 44.01 C ATOM 98 C LYS A 6 -5.244 12.726 -5.310 1.00 3.34 C ATOM 99 O LYS A 6 -5.325 13.855 -5.797 1.00 22.31 O ATOM 100 CB LYS A 6 -5.085 10.554 -6.540 1.00 3.15 C ATOM 101 CG LYS A 6 -4.884 10.448 -8.041 1.00 45.33 C ATOM 102 CD LYS A 6 -5.854 9.460 -8.666 1.00 14.23 C ATOM 103 CE LYS A 6 -6.716 10.122 -9.730 1.00 13.42 C ATOM 104 NZ LYS A 6 -7.315 9.124 -10.659 1.00 2.40 N ATOM 0 H LYS A 6 -3.442 10.150 -4.750 1.00 61.15 H new ATOM 0 HA LYS A 6 -3.676 12.174 -6.653 1.00 44.01 H new ATOM 0 HB2 LYS A 6 -4.798 9.610 -6.076 1.00 3.15 H new ATOM 0 HB3 LYS A 6 -6.145 10.701 -6.333 1.00 3.15 H new ATOM 0 HG2 LYS A 6 -5.018 11.429 -8.497 1.00 45.33 H new ATOM 0 HG3 LYS A 6 -3.861 10.137 -8.251 1.00 45.33 H new ATOM 0 HD2 LYS A 6 -5.298 8.634 -9.109 1.00 14.23 H new ATOM 0 HD3 LYS A 6 -6.492 9.036 -7.891 1.00 14.23 H new ATOM 0 HE2 LYS A 6 -7.510 10.694 -9.250 1.00 13.42 H new ATOM 0 HE3 LYS A 6 -6.112 10.830 -10.298 1.00 13.42 H new ATOM 0 HZ1 LYS A 6 -7.895 9.615 -11.369 1.00 2.40 H new ATOM 0 HZ2 LYS A 6 -6.557 8.596 -11.136 1.00 2.40 H new ATOM 0 HZ3 LYS A 6 -7.912 8.464 -10.121 1.00 2.40 H new ATOM 118 N LEU A 7 -5.964 12.337 -4.263 1.00 41.43 N ATOM 119 CA LEU A 7 -6.913 13.234 -3.612 1.00 22.31 C ATOM 120 C LEU A 7 -6.195 14.423 -2.983 1.00 45.42 C ATOM 121 O LEU A 7 -6.645 15.564 -3.096 1.00 24.14 O ATOM 122 CB LEU A 7 -7.706 12.479 -2.543 1.00 40.43 C ATOM 123 CG LEU A 7 -9.227 12.614 -2.617 1.00 13.03 C ATOM 124 CD1 LEU A 7 -9.900 11.503 -1.826 1.00 13.25 C ATOM 125 CD2 LEU A 7 -9.667 13.978 -2.105 1.00 34.21 C ATOM 0 H LEU A 7 -5.909 11.407 -3.847 1.00 41.43 H new ATOM 0 HA LEU A 7 -7.601 13.608 -4.370 1.00 22.31 H new ATOM 0 HB2 LEU A 7 -7.451 11.421 -2.609 1.00 40.43 H new ATOM 0 HB3 LEU A 7 -7.378 12.825 -1.563 1.00 40.43 H new ATOM 0 HG LEU A 7 -9.530 12.525 -3.660 1.00 13.03 H new ATOM 0 HD11 LEU A 7 -10.982 11.615 -1.890 1.00 13.25 H new ATOM 0 HD12 LEU A 7 -9.610 10.536 -2.238 1.00 13.25 H new ATOM 0 HD13 LEU A 7 -9.590 11.560 -0.782 1.00 13.25 H new ATOM 0 HD21 LEU A 7 -10.753 14.056 -2.165 1.00 34.21 H new ATOM 0 HD22 LEU A 7 -9.351 14.097 -1.068 1.00 34.21 H new ATOM 0 HD23 LEU A 7 -9.213 14.759 -2.714 1.00 34.21 H new ATOM 137 N PHE A 8 -5.074 14.150 -2.323 1.00 12.02 N ATOM 138 CA PHE A 8 -4.292 15.198 -1.677 1.00 73.01 C ATOM 139 C PHE A 8 -3.866 16.259 -2.687 1.00 54.52 C ATOM 140 O PHE A 8 -4.163 17.443 -2.523 1.00 34.32 O ATOM 141 CB PHE A 8 -3.058 14.599 -0.999 1.00 73.33 C ATOM 142 CG PHE A 8 -2.861 15.071 0.413 1.00 52.22 C ATOM 143 CD1 PHE A 8 -3.856 14.895 1.361 1.00 24.25 C ATOM 144 CD2 PHE A 8 -1.681 15.691 0.792 1.00 55.24 C ATOM 145 CE1 PHE A 8 -3.677 15.329 2.661 1.00 1.42 C ATOM 146 CE2 PHE A 8 -1.497 16.128 2.090 1.00 20.51 C ATOM 147 CZ PHE A 8 -2.496 15.945 3.026 1.00 2.43 C ATOM 0 H PHE A 8 -4.687 13.212 -2.221 1.00 12.02 H new ATOM 0 HA PHE A 8 -4.919 15.671 -0.922 1.00 73.01 H new ATOM 0 HB2 PHE A 8 -3.143 13.512 -1.002 1.00 73.33 H new ATOM 0 HB3 PHE A 8 -2.174 14.851 -1.584 1.00 73.33 H new ATOM 0 HD1 PHE A 8 -4.781 14.414 1.081 1.00 24.25 H new ATOM 0 HD2 PHE A 8 -0.896 15.834 0.064 1.00 55.24 H new ATOM 0 HE1 PHE A 8 -4.460 15.187 3.391 1.00 1.42 H new ATOM 0 HE2 PHE A 8 -0.574 16.612 2.372 1.00 20.51 H new ATOM 0 HZ PHE A 8 -2.354 16.283 4.042 1.00 2.43 H new ATOM 157 N SER A 9 -3.168 15.827 -3.732 1.00 52.03 N ATOM 158 CA SER A 9 -2.697 16.740 -4.767 1.00 70.34 C ATOM 159 C SER A 9 -3.866 17.471 -5.420 1.00 12.22 C ATOM 160 O SER A 9 -3.878 18.700 -5.501 1.00 52.03 O ATOM 161 CB SER A 9 -1.903 15.975 -5.828 1.00 52.13 C ATOM 162 OG SER A 9 -0.726 16.677 -6.188 1.00 62.34 O ATOM 0 H SER A 9 -2.916 14.850 -3.885 1.00 52.03 H new ATOM 0 HA SER A 9 -2.046 17.478 -4.297 1.00 70.34 H new ATOM 0 HB2 SER A 9 -1.640 14.988 -5.448 1.00 52.13 H new ATOM 0 HB3 SER A 9 -2.523 15.822 -6.711 1.00 52.13 H new ATOM 0 HG SER A 9 -0.235 16.167 -6.866 1.00 62.34 H new ATOM 168 N THR A 10 -4.850 16.707 -5.884 1.00 63.42 N ATOM 169 CA THR A 10 -6.023 17.280 -6.531 1.00 33.13 C ATOM 170 C THR A 10 -6.676 18.337 -5.647 1.00 74.24 C ATOM 171 O THR A 10 -6.846 19.484 -6.058 1.00 42.33 O ATOM 172 CB THR A 10 -7.064 16.196 -6.869 1.00 61.14 C ATOM 173 OG1 THR A 10 -6.490 15.224 -7.750 1.00 63.22 O ATOM 174 CG2 THR A 10 -8.295 16.811 -7.518 1.00 43.10 C ATOM 0 H THR A 10 -4.857 15.689 -5.823 1.00 63.42 H new ATOM 0 HA THR A 10 -5.679 17.744 -7.455 1.00 33.13 H new ATOM 0 HB THR A 10 -7.366 15.712 -5.940 1.00 61.14 H new ATOM 0 HG1 THR A 10 -6.129 14.479 -7.225 1.00 63.22 H new ATOM 0 HG21 THR A 10 -9.016 16.026 -7.748 1.00 43.10 H new ATOM 0 HG22 THR A 10 -8.746 17.529 -6.834 1.00 43.10 H new ATOM 0 HG23 THR A 10 -8.006 17.319 -8.438 1.00 43.10 H new ATOM 182 N ALA A 11 -7.041 17.942 -4.432 1.00 4.44 N ATOM 183 CA ALA A 11 -7.673 18.857 -3.489 1.00 43.22 C ATOM 184 C ALA A 11 -6.841 20.123 -3.311 1.00 22.35 C ATOM 185 O ALA A 11 -7.368 21.235 -3.345 1.00 22.11 O ATOM 186 CB ALA A 11 -7.886 18.170 -2.149 1.00 20.23 C ATOM 0 H ALA A 11 -6.910 16.995 -4.077 1.00 4.44 H new ATOM 0 HA ALA A 11 -8.643 19.145 -3.895 1.00 43.22 H new ATOM 0 HB1 ALA A 11 -8.359 18.865 -1.455 1.00 20.23 H new ATOM 0 HB2 ALA A 11 -8.528 17.300 -2.284 1.00 20.23 H new ATOM 0 HB3 ALA A 11 -6.924 17.852 -1.746 1.00 20.23 H new ATOM 192 N LYS A 12 -5.538 19.946 -3.119 1.00 1.43 N ATOM 193 CA LYS A 12 -4.632 21.074 -2.935 1.00 23.21 C ATOM 194 C LYS A 12 -4.728 22.046 -4.107 1.00 22.25 C ATOM 195 O LYS A 12 -4.935 23.244 -3.917 1.00 13.51 O ATOM 196 CB LYS A 12 -3.191 20.578 -2.787 1.00 15.03 C ATOM 197 CG LYS A 12 -2.591 20.853 -1.419 1.00 34.13 C ATOM 198 CD LYS A 12 -1.264 21.584 -1.529 1.00 11.42 C ATOM 199 CE LYS A 12 -0.097 20.612 -1.610 1.00 10.31 C ATOM 200 NZ LYS A 12 -0.220 19.694 -2.776 1.00 32.24 N ATOM 0 H LYS A 12 -5.086 19.032 -3.087 1.00 1.43 H new ATOM 0 HA LYS A 12 -4.925 21.599 -2.026 1.00 23.21 H new ATOM 0 HB2 LYS A 12 -3.163 19.505 -2.978 1.00 15.03 H new ATOM 0 HB3 LYS A 12 -2.572 21.053 -3.548 1.00 15.03 H new ATOM 0 HG2 LYS A 12 -3.287 21.448 -0.828 1.00 34.13 H new ATOM 0 HG3 LYS A 12 -2.446 19.912 -0.888 1.00 34.13 H new ATOM 0 HD2 LYS A 12 -1.270 22.221 -2.414 1.00 11.42 H new ATOM 0 HD3 LYS A 12 -1.135 22.238 -0.666 1.00 11.42 H new ATOM 0 HE2 LYS A 12 0.836 21.170 -1.684 1.00 10.31 H new ATOM 0 HE3 LYS A 12 -0.047 20.028 -0.691 1.00 10.31 H new ATOM 0 HZ1 LYS A 12 0.673 19.177 -2.907 1.00 32.24 H new ATOM 0 HZ2 LYS A 12 -0.990 19.016 -2.605 1.00 32.24 H new ATOM 0 HZ3 LYS A 12 -0.429 20.246 -3.632 1.00 32.24 H new ATOM 214 N LYS A 13 -4.577 21.522 -5.318 1.00 72.41 N ATOM 215 CA LYS A 13 -4.650 22.342 -6.522 1.00 23.35 C ATOM 216 C LYS A 13 -5.962 23.117 -6.573 1.00 51.40 C ATOM 217 O LYS A 13 -5.966 24.347 -6.653 1.00 62.43 O ATOM 218 CB LYS A 13 -4.513 21.466 -7.769 1.00 53.12 C ATOM 219 CG LYS A 13 -3.219 21.691 -8.532 1.00 10.04 C ATOM 220 CD LYS A 13 -2.207 20.593 -8.249 1.00 74.13 C ATOM 221 CE LYS A 13 -0.792 21.145 -8.173 1.00 72.00 C ATOM 222 NZ LYS A 13 -0.471 21.663 -6.814 1.00 72.41 N ATOM 0 H LYS A 13 -4.403 20.532 -5.492 1.00 72.41 H new ATOM 0 HA LYS A 13 -3.827 23.057 -6.496 1.00 23.35 H new ATOM 0 HB2 LYS A 13 -4.574 20.418 -7.475 1.00 53.12 H new ATOM 0 HB3 LYS A 13 -5.355 21.660 -8.433 1.00 53.12 H new ATOM 0 HG2 LYS A 13 -3.428 21.728 -9.601 1.00 10.04 H new ATOM 0 HG3 LYS A 13 -2.796 22.657 -8.256 1.00 10.04 H new ATOM 0 HD2 LYS A 13 -2.457 20.100 -7.310 1.00 74.13 H new ATOM 0 HD3 LYS A 13 -2.262 19.836 -9.031 1.00 74.13 H new ATOM 0 HE2 LYS A 13 -0.082 20.362 -8.440 1.00 72.00 H new ATOM 0 HE3 LYS A 13 -0.675 21.945 -8.904 1.00 72.00 H new ATOM 0 HZ1 LYS A 13 0.502 22.030 -6.803 1.00 72.41 H new ATOM 0 HZ2 LYS A 13 -1.132 22.427 -6.569 1.00 72.41 H new ATOM 0 HZ3 LYS A 13 -0.558 20.894 -6.120 1.00 72.41 H new ATOM 236 N LEU A 14 -7.074 22.393 -6.525 1.00 75.10 N ATOM 237 CA LEU A 14 -8.394 23.014 -6.565 1.00 31.54 C ATOM 238 C LEU A 14 -8.511 24.113 -5.513 1.00 63.44 C ATOM 239 O LEU A 14 -9.037 25.192 -5.785 1.00 2.11 O ATOM 240 CB LEU A 14 -9.481 21.961 -6.341 1.00 73.02 C ATOM 241 CG LEU A 14 -10.330 21.604 -7.562 1.00 35.44 C ATOM 242 CD1 LEU A 14 -11.385 20.571 -7.195 1.00 24.25 C ATOM 243 CD2 LEU A 14 -10.982 22.851 -8.142 1.00 30.54 C ATOM 0 H LEU A 14 -7.089 21.375 -6.458 1.00 75.10 H new ATOM 0 HA LEU A 14 -8.528 23.463 -7.549 1.00 31.54 H new ATOM 0 HB2 LEU A 14 -9.007 21.051 -5.974 1.00 73.02 H new ATOM 0 HB3 LEU A 14 -10.145 22.315 -5.552 1.00 73.02 H new ATOM 0 HG LEU A 14 -9.677 21.173 -8.321 1.00 35.44 H new ATOM 0 HD11 LEU A 14 -11.979 20.329 -8.076 1.00 24.25 H new ATOM 0 HD12 LEU A 14 -10.898 19.668 -6.827 1.00 24.25 H new ATOM 0 HD13 LEU A 14 -12.035 20.975 -6.418 1.00 24.25 H new ATOM 0 HD21 LEU A 14 -11.582 22.578 -9.010 1.00 30.54 H new ATOM 0 HD22 LEU A 14 -11.622 23.311 -7.389 1.00 30.54 H new ATOM 0 HD23 LEU A 14 -10.210 23.559 -8.443 1.00 30.54 H new ATOM 255 N TYR A 15 -8.015 23.831 -4.314 1.00 2.34 N ATOM 256 CA TYR A 15 -8.063 24.796 -3.221 1.00 75.32 C ATOM 257 C TYR A 15 -7.328 26.079 -3.594 1.00 43.13 C ATOM 258 O TYR A 15 -7.920 27.157 -3.644 1.00 54.11 O ATOM 259 CB TYR A 15 -7.452 24.194 -1.954 1.00 55.34 C ATOM 260 CG TYR A 15 -7.294 25.189 -0.827 1.00 53.41 C ATOM 261 CD1 TYR A 15 -8.358 25.491 0.014 1.00 52.41 C ATOM 262 CD2 TYR A 15 -6.080 25.827 -0.602 1.00 73.14 C ATOM 263 CE1 TYR A 15 -8.218 26.401 1.045 1.00 72.55 C ATOM 264 CE2 TYR A 15 -5.931 26.736 0.427 1.00 43.32 C ATOM 265 CZ TYR A 15 -7.003 27.020 1.247 1.00 3.11 C ATOM 266 OH TYR A 15 -6.859 27.925 2.274 1.00 42.24 O ATOM 0 H TYR A 15 -7.575 22.943 -4.074 1.00 2.34 H new ATOM 0 HA TYR A 15 -9.108 25.040 -3.031 1.00 75.32 H new ATOM 0 HB2 TYR A 15 -8.079 23.370 -1.615 1.00 55.34 H new ATOM 0 HB3 TYR A 15 -6.476 23.773 -2.196 1.00 55.34 H new ATOM 0 HD1 TYR A 15 -9.311 25.006 -0.140 1.00 52.41 H new ATOM 0 HD2 TYR A 15 -5.239 25.608 -1.243 1.00 73.14 H new ATOM 0 HE1 TYR A 15 -9.056 26.626 1.689 1.00 72.55 H new ATOM 0 HE2 TYR A 15 -4.980 27.222 0.589 1.00 43.32 H new ATOM 0 HH TYR A 15 -5.942 28.269 2.280 1.00 42.24 H new ATOM 276 N LYS A 16 -6.031 25.955 -3.857 1.00 31.14 N ATOM 277 CA LYS A 16 -5.212 27.102 -4.228 1.00 3.54 C ATOM 278 C LYS A 16 -5.821 27.846 -5.412 1.00 62.21 C ATOM 279 O LYS A 16 -5.965 29.068 -5.384 1.00 44.20 O ATOM 280 CB LYS A 16 -3.791 26.651 -4.572 1.00 24.44 C ATOM 281 CG LYS A 16 -2.726 27.257 -3.674 1.00 44.15 C ATOM 282 CD LYS A 16 -1.885 26.184 -3.003 1.00 1.20 C ATOM 283 CE LYS A 16 -0.657 25.839 -3.831 1.00 61.42 C ATOM 284 NZ LYS A 16 -0.846 24.580 -4.604 1.00 63.05 N ATOM 0 H LYS A 16 -5.525 25.070 -3.820 1.00 31.14 H new ATOM 0 HA LYS A 16 -5.175 27.780 -3.376 1.00 3.54 H new ATOM 0 HB2 LYS A 16 -3.737 25.565 -4.503 1.00 24.44 H new ATOM 0 HB3 LYS A 16 -3.575 26.916 -5.607 1.00 24.44 H new ATOM 0 HG2 LYS A 16 -2.082 27.910 -4.262 1.00 44.15 H new ATOM 0 HG3 LYS A 16 -3.200 27.877 -2.913 1.00 44.15 H new ATOM 0 HD2 LYS A 16 -1.575 26.528 -2.016 1.00 1.20 H new ATOM 0 HD3 LYS A 16 -2.488 25.288 -2.854 1.00 1.20 H new ATOM 0 HE2 LYS A 16 -0.440 26.658 -4.517 1.00 61.42 H new ATOM 0 HE3 LYS A 16 0.207 25.736 -3.174 1.00 61.42 H new ATOM 0 HZ1 LYS A 16 0.013 24.379 -5.155 1.00 63.05 H new ATOM 0 HZ2 LYS A 16 -1.028 23.794 -3.948 1.00 63.05 H new ATOM 0 HZ3 LYS A 16 -1.655 24.687 -5.249 1.00 63.05 H new ATOM 298 N LYS A 17 -6.179 27.100 -6.452 1.00 43.10 N ATOM 299 CA LYS A 17 -6.775 27.687 -7.646 1.00 13.21 C ATOM 300 C LYS A 17 -7.990 28.536 -7.286 1.00 34.11 C ATOM 301 O LYS A 17 -8.082 29.701 -7.671 1.00 33.30 O ATOM 302 CB LYS A 17 -7.181 26.589 -8.631 1.00 60.23 C ATOM 303 CG LYS A 17 -7.372 27.087 -10.053 1.00 45.33 C ATOM 304 CD LYS A 17 -6.040 27.366 -10.730 1.00 3.14 C ATOM 305 CE LYS A 17 -5.427 26.096 -11.299 1.00 73.24 C ATOM 306 NZ LYS A 17 -4.898 26.304 -12.676 1.00 11.13 N ATOM 0 H LYS A 17 -6.067 26.087 -6.492 1.00 43.10 H new ATOM 0 HA LYS A 17 -6.030 28.330 -8.115 1.00 13.21 H new ATOM 0 HB2 LYS A 17 -6.419 25.810 -8.627 1.00 60.23 H new ATOM 0 HB3 LYS A 17 -8.108 26.130 -8.288 1.00 60.23 H new ATOM 0 HG2 LYS A 17 -7.925 26.345 -10.628 1.00 45.33 H new ATOM 0 HG3 LYS A 17 -7.974 27.996 -10.043 1.00 45.33 H new ATOM 0 HD2 LYS A 17 -6.182 28.093 -11.530 1.00 3.14 H new ATOM 0 HD3 LYS A 17 -5.352 27.813 -10.012 1.00 3.14 H new ATOM 0 HE2 LYS A 17 -4.621 25.758 -10.647 1.00 73.24 H new ATOM 0 HE3 LYS A 17 -6.177 25.306 -11.314 1.00 73.24 H new ATOM 0 HZ1 LYS A 17 -4.489 25.415 -13.029 1.00 11.13 H new ATOM 0 HZ2 LYS A 17 -5.672 26.602 -13.304 1.00 11.13 H new ATOM 0 HZ3 LYS A 17 -4.164 27.040 -12.658 1.00 11.13 H new ATOM 320 N GLY A 18 -8.921 27.944 -6.543 1.00 51.21 N ATOM 321 CA GLY A 18 -10.117 28.661 -6.143 1.00 14.55 C ATOM 322 C GLY A 18 -9.802 29.946 -5.401 1.00 75.33 C ATOM 323 O GLY A 18 -10.294 31.016 -5.761 1.00 33.35 O ATOM 0 H GLY A 18 -8.868 26.981 -6.211 1.00 51.21 H new ATOM 0 HA2 GLY A 18 -10.711 28.892 -7.027 1.00 14.55 H new ATOM 0 HA3 GLY A 18 -10.727 28.018 -5.508 1.00 14.55 H new ATOM 327 N LYS A 19 -8.981 29.841 -4.362 1.00 72.11 N ATOM 328 CA LYS A 19 -8.601 31.002 -3.567 1.00 3.31 C ATOM 329 C LYS A 19 -8.083 32.126 -4.459 1.00 1.35 C ATOM 330 O LYS A 19 -8.605 33.241 -4.436 1.00 41.14 O ATOM 331 CB LYS A 19 -7.532 30.616 -2.542 1.00 2.40 C ATOM 332 CG LYS A 19 -7.598 31.427 -1.259 1.00 41.34 C ATOM 333 CD LYS A 19 -6.371 32.308 -1.093 1.00 21.15 C ATOM 334 CE LYS A 19 -5.368 31.690 -0.130 1.00 12.20 C ATOM 335 NZ LYS A 19 -5.945 31.509 1.231 1.00 71.52 N ATOM 0 H LYS A 19 -8.566 28.963 -4.051 1.00 72.11 H new ATOM 0 HA LYS A 19 -9.487 31.358 -3.042 1.00 3.31 H new ATOM 0 HB2 LYS A 19 -7.638 29.559 -2.299 1.00 2.40 H new ATOM 0 HB3 LYS A 19 -6.547 30.742 -2.992 1.00 2.40 H new ATOM 0 HG2 LYS A 19 -8.494 32.047 -1.265 1.00 41.34 H new ATOM 0 HG3 LYS A 19 -7.682 30.754 -0.406 1.00 41.34 H new ATOM 0 HD2 LYS A 19 -5.898 32.462 -2.063 1.00 21.15 H new ATOM 0 HD3 LYS A 19 -6.673 33.289 -0.726 1.00 21.15 H new ATOM 0 HE2 LYS A 19 -5.040 30.725 -0.517 1.00 12.20 H new ATOM 0 HE3 LYS A 19 -4.485 32.325 -0.068 1.00 12.20 H new ATOM 0 HZ1 LYS A 19 -5.187 31.568 1.940 1.00 71.52 H new ATOM 0 HZ2 LYS A 19 -6.647 32.255 1.412 1.00 71.52 H new ATOM 0 HZ3 LYS A 19 -6.405 30.578 1.292 1.00 71.52 H new ATOM 349 N LYS A 20 -7.054 31.826 -5.244 1.00 30.01 N ATOM 350 CA LYS A 20 -6.467 32.810 -6.146 1.00 23.42 C ATOM 351 C LYS A 20 -7.516 33.363 -7.105 1.00 64.00 C ATOM 352 O LYS A 20 -7.423 34.508 -7.549 1.00 42.14 O ATOM 353 CB LYS A 20 -5.316 32.183 -6.937 1.00 54.24 C ATOM 354 CG LYS A 20 -4.098 31.864 -6.089 1.00 65.42 C ATOM 355 CD LYS A 20 -3.098 31.009 -6.850 1.00 23.55 C ATOM 356 CE LYS A 20 -1.894 30.660 -5.988 1.00 21.51 C ATOM 357 NZ LYS A 20 -0.717 31.515 -6.307 1.00 31.53 N ATOM 0 H LYS A 20 -6.609 30.909 -5.274 1.00 30.01 H new ATOM 0 HA LYS A 20 -6.081 33.633 -5.545 1.00 23.42 H new ATOM 0 HB2 LYS A 20 -5.669 31.267 -7.411 1.00 54.24 H new ATOM 0 HB3 LYS A 20 -5.023 32.863 -7.737 1.00 54.24 H new ATOM 0 HG2 LYS A 20 -3.620 32.791 -5.774 1.00 65.42 H new ATOM 0 HG3 LYS A 20 -4.410 31.343 -5.184 1.00 65.42 H new ATOM 0 HD2 LYS A 20 -3.583 30.093 -7.187 1.00 23.55 H new ATOM 0 HD3 LYS A 20 -2.767 31.541 -7.742 1.00 23.55 H new ATOM 0 HE2 LYS A 20 -2.154 30.778 -4.936 1.00 21.51 H new ATOM 0 HE3 LYS A 20 -1.633 29.612 -6.136 1.00 21.51 H new ATOM 0 HZ1 LYS A 20 0.082 31.246 -5.699 1.00 31.53 H new ATOM 0 HZ2 LYS A 20 -0.453 31.384 -7.304 1.00 31.53 H new ATOM 0 HZ3 LYS A 20 -0.958 32.513 -6.141 1.00 31.53 H new ATOM 473 N PHE A 27 -16.238 35.869 -10.042 1.00 72.14 N ATOM 474 CA PHE A 27 -16.609 34.743 -9.194 1.00 21.54 C ATOM 475 C PHE A 27 -17.935 35.007 -8.487 1.00 51.30 C ATOM 476 O PHE A 27 -18.736 34.095 -8.282 1.00 23.23 O ATOM 477 CB PHE A 27 -15.513 34.473 -8.161 1.00 22.52 C ATOM 478 CG PHE A 27 -15.357 33.018 -7.818 1.00 51.40 C ATOM 479 CD1 PHE A 27 -14.691 32.158 -8.676 1.00 51.32 C ATOM 480 CD2 PHE A 27 -15.876 32.512 -6.638 1.00 33.14 C ATOM 481 CE1 PHE A 27 -14.547 30.820 -8.363 1.00 73.25 C ATOM 482 CE2 PHE A 27 -15.735 31.174 -6.319 1.00 52.23 C ATOM 483 CZ PHE A 27 -15.069 30.327 -7.183 1.00 41.31 C ATOM 0 HA PHE A 27 -16.725 33.865 -9.830 1.00 21.54 H new ATOM 0 HB2 PHE A 27 -14.565 34.852 -8.542 1.00 22.52 H new ATOM 0 HB3 PHE A 27 -15.737 35.030 -7.251 1.00 22.52 H new ATOM 0 HD1 PHE A 27 -14.280 32.538 -9.600 1.00 51.32 H new ATOM 0 HD2 PHE A 27 -16.397 33.170 -5.959 1.00 33.14 H new ATOM 0 HE1 PHE A 27 -14.026 30.160 -9.041 1.00 73.25 H new ATOM 0 HE2 PHE A 27 -16.145 30.792 -5.396 1.00 52.23 H new ATOM 0 HZ PHE A 27 -14.957 29.282 -6.937 1.00 41.31 H new ATOM 493 N LYS A 28 -18.161 36.263 -8.116 1.00 43.13 N ATOM 494 CA LYS A 28 -19.389 36.651 -7.433 1.00 70.11 C ATOM 495 C LYS A 28 -20.602 36.438 -8.333 1.00 14.03 C ATOM 496 O LYS A 28 -21.560 35.765 -7.952 1.00 14.13 O ATOM 497 CB LYS A 28 -19.314 38.116 -6.998 1.00 52.21 C ATOM 498 CG LYS A 28 -19.088 38.297 -5.507 1.00 44.21 C ATOM 499 CD LYS A 28 -17.720 38.893 -5.219 1.00 42.33 C ATOM 500 CE LYS A 28 -17.798 40.400 -5.027 1.00 42.12 C ATOM 501 NZ LYS A 28 -16.636 40.922 -4.255 1.00 60.35 N ATOM 0 H LYS A 28 -17.509 37.030 -8.277 1.00 43.13 H new ATOM 0 HA LYS A 28 -19.499 36.022 -6.550 1.00 70.11 H new ATOM 0 HB2 LYS A 28 -18.507 38.607 -7.542 1.00 52.21 H new ATOM 0 HB3 LYS A 28 -20.239 38.618 -7.280 1.00 52.21 H new ATOM 0 HG2 LYS A 28 -19.862 38.945 -5.097 1.00 44.21 H new ATOM 0 HG3 LYS A 28 -19.180 37.334 -5.005 1.00 44.21 H new ATOM 0 HD2 LYS A 28 -17.302 38.432 -4.324 1.00 42.33 H new ATOM 0 HD3 LYS A 28 -17.042 38.664 -6.041 1.00 42.33 H new ATOM 0 HE2 LYS A 28 -17.836 40.889 -6.001 1.00 42.12 H new ATOM 0 HE3 LYS A 28 -18.722 40.652 -4.507 1.00 42.12 H new ATOM 0 HZ1 LYS A 28 -16.726 41.952 -4.146 1.00 60.35 H new ATOM 0 HZ2 LYS A 28 -16.614 40.475 -3.316 1.00 60.35 H new ATOM 0 HZ3 LYS A 28 -15.755 40.704 -4.763 1.00 60.35 H new ATOM 515 N LYS A 29 -20.555 37.014 -9.529 1.00 3.31 N ATOM 516 CA LYS A 29 -21.648 36.886 -10.485 1.00 32.12 C ATOM 517 C LYS A 29 -21.895 35.422 -10.835 1.00 54.13 C ATOM 518 O LYS A 29 -23.039 34.969 -10.877 1.00 64.22 O ATOM 519 CB LYS A 29 -21.338 37.680 -11.756 1.00 11.35 C ATOM 520 CG LYS A 29 -22.577 38.098 -12.529 1.00 43.01 C ATOM 521 CD LYS A 29 -22.502 39.554 -12.958 1.00 65.33 C ATOM 522 CE LYS A 29 -23.886 40.174 -13.071 1.00 22.23 C ATOM 523 NZ LYS A 29 -24.020 41.389 -12.220 1.00 32.52 N ATOM 0 H LYS A 29 -19.770 37.575 -9.860 1.00 3.31 H new ATOM 0 HA LYS A 29 -22.550 37.289 -10.024 1.00 32.12 H new ATOM 0 HB2 LYS A 29 -20.769 38.571 -11.488 1.00 11.35 H new ATOM 0 HB3 LYS A 29 -20.701 37.078 -12.404 1.00 11.35 H new ATOM 0 HG2 LYS A 29 -22.689 37.464 -13.408 1.00 43.01 H new ATOM 0 HG3 LYS A 29 -23.462 37.945 -11.911 1.00 43.01 H new ATOM 0 HD2 LYS A 29 -21.908 40.116 -12.238 1.00 65.33 H new ATOM 0 HD3 LYS A 29 -21.991 39.626 -13.918 1.00 65.33 H new ATOM 0 HE2 LYS A 29 -24.083 40.435 -14.111 1.00 22.23 H new ATOM 0 HE3 LYS A 29 -24.638 39.441 -12.778 1.00 22.23 H new ATOM 0 HZ1 LYS A 29 -24.977 41.782 -12.325 1.00 32.52 H new ATOM 0 HZ2 LYS A 29 -23.857 41.135 -11.225 1.00 32.52 H new ATOM 0 HZ3 LYS A 29 -23.320 42.099 -12.516 1.00 32.52 H new ATOM 537 N ALA A 30 -20.816 34.688 -11.085 1.00 32.21 N ATOM 538 CA ALA A 30 -20.916 33.275 -11.428 1.00 74.30 C ATOM 539 C ALA A 30 -21.517 32.472 -10.279 1.00 53.01 C ATOM 540 O ALA A 30 -22.406 31.644 -10.485 1.00 12.35 O ATOM 541 CB ALA A 30 -19.548 32.724 -11.800 1.00 61.43 C ATOM 0 H ALA A 30 -19.862 35.049 -11.056 1.00 32.21 H new ATOM 0 HA ALA A 30 -21.579 33.182 -12.288 1.00 74.30 H new ATOM 0 HB1 ALA A 30 -19.638 31.668 -12.054 1.00 61.43 H new ATOM 0 HB2 ALA A 30 -19.156 33.271 -12.657 1.00 61.43 H new ATOM 0 HB3 ALA A 30 -18.868 32.838 -10.956 1.00 61.43 H new ATOM 547 N LEU A 31 -21.027 32.721 -9.070 1.00 21.11 N ATOM 548 CA LEU A 31 -21.515 32.020 -7.887 1.00 54.41 C ATOM 549 C LEU A 31 -23.015 32.235 -7.707 1.00 42.44 C ATOM 550 O LEU A 31 -23.796 31.284 -7.723 1.00 60.13 O ATOM 551 CB LEU A 31 -20.767 32.499 -6.642 1.00 32.34 C ATOM 552 CG LEU A 31 -21.163 31.832 -5.324 1.00 0.25 C ATOM 553 CD1 LEU A 31 -20.733 30.374 -5.313 1.00 24.43 C ATOM 554 CD2 LEU A 31 -20.555 32.578 -4.145 1.00 1.41 C ATOM 0 H LEU A 31 -20.292 33.403 -8.883 1.00 21.11 H new ATOM 0 HA LEU A 31 -21.333 30.954 -8.025 1.00 54.41 H new ATOM 0 HB2 LEU A 31 -19.700 32.341 -6.800 1.00 32.34 H new ATOM 0 HB3 LEU A 31 -20.919 33.574 -6.542 1.00 32.34 H new ATOM 0 HG LEU A 31 -22.248 31.870 -5.232 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -21.023 29.916 -4.367 1.00 24.43 H new ATOM 0 HD12 LEU A 31 -21.216 29.846 -6.135 1.00 24.43 H new ATOM 0 HD13 LEU A 31 -19.651 30.313 -5.429 1.00 24.43 H new ATOM 0 HD21 LEU A 31 -20.847 32.089 -3.215 1.00 1.41 H new ATOM 0 HD22 LEU A 31 -19.468 32.572 -4.232 1.00 1.41 H new ATOM 0 HD23 LEU A 31 -20.913 33.607 -4.142 1.00 1.41 H new ATOM 566 N LYS A 32 -23.411 33.492 -7.538 1.00 41.44 N ATOM 567 CA LYS A 32 -24.817 33.835 -7.359 1.00 61.43 C ATOM 568 C LYS A 32 -25.665 33.260 -8.490 1.00 1.04 C ATOM 569 O LYS A 32 -26.673 32.596 -8.247 1.00 23.21 O ATOM 570 CB LYS A 32 -24.990 35.354 -7.299 1.00 63.05 C ATOM 571 CG LYS A 32 -24.946 35.916 -5.889 1.00 71.01 C ATOM 572 CD LYS A 32 -26.277 35.739 -5.177 1.00 23.01 C ATOM 573 CE LYS A 32 -26.515 36.844 -4.159 1.00 33.40 C ATOM 574 NZ LYS A 32 -26.102 36.433 -2.788 1.00 52.53 N ATOM 0 H LYS A 32 -22.777 34.291 -7.521 1.00 41.44 H new ATOM 0 HA LYS A 32 -25.154 33.400 -6.418 1.00 61.43 H new ATOM 0 HB2 LYS A 32 -24.206 35.824 -7.893 1.00 63.05 H new ATOM 0 HB3 LYS A 32 -25.942 35.621 -7.758 1.00 63.05 H new ATOM 0 HG2 LYS A 32 -24.160 35.418 -5.322 1.00 71.01 H new ATOM 0 HG3 LYS A 32 -24.690 36.975 -5.926 1.00 71.01 H new ATOM 0 HD2 LYS A 32 -27.085 35.737 -5.909 1.00 23.01 H new ATOM 0 HD3 LYS A 32 -26.297 34.771 -4.676 1.00 23.01 H new ATOM 0 HE2 LYS A 32 -25.960 37.735 -4.454 1.00 33.40 H new ATOM 0 HE3 LYS A 32 -27.571 37.113 -4.155 1.00 33.40 H new ATOM 0 HZ1 LYS A 32 -26.280 37.213 -2.123 1.00 52.53 H new ATOM 0 HZ2 LYS A 32 -26.649 35.598 -2.496 1.00 52.53 H new ATOM 0 HZ3 LYS A 32 -25.088 36.201 -2.786 1.00 52.53 H new ATOM 588 N PHE A 33 -25.250 33.519 -9.725 1.00 63.21 N ATOM 589 CA PHE A 33 -25.971 33.027 -10.893 1.00 32.31 C ATOM 590 C PHE A 33 -26.197 31.521 -10.798 1.00 22.40 C ATOM 591 O PHE A 33 -27.334 31.050 -10.810 1.00 5.11 O ATOM 592 CB PHE A 33 -25.200 33.359 -12.172 1.00 73.43 C ATOM 593 CG PHE A 33 -25.934 32.984 -13.428 1.00 63.03 C ATOM 594 CD1 PHE A 33 -27.251 33.371 -13.619 1.00 24.31 C ATOM 595 CD2 PHE A 33 -25.306 32.246 -14.419 1.00 33.43 C ATOM 596 CE1 PHE A 33 -27.928 33.026 -14.773 1.00 42.54 C ATOM 597 CE2 PHE A 33 -25.978 31.899 -15.576 1.00 34.24 C ATOM 598 CZ PHE A 33 -27.291 32.291 -15.754 1.00 23.35 C ATOM 0 H PHE A 33 -24.418 34.067 -9.943 1.00 63.21 H new ATOM 0 HA PHE A 33 -26.942 33.521 -10.924 1.00 32.31 H new ATOM 0 HB2 PHE A 33 -24.986 34.428 -12.191 1.00 73.43 H new ATOM 0 HB3 PHE A 33 -24.241 32.842 -12.153 1.00 73.43 H new ATOM 0 HD1 PHE A 33 -27.754 33.949 -12.857 1.00 24.31 H new ATOM 0 HD2 PHE A 33 -24.279 31.938 -14.286 1.00 33.43 H new ATOM 0 HE1 PHE A 33 -28.955 33.331 -14.908 1.00 42.54 H new ATOM 0 HE2 PHE A 33 -25.478 31.322 -16.340 1.00 34.24 H new ATOM 0 HZ PHE A 33 -27.818 32.023 -16.658 1.00 23.35 H new ATOM 608 N GLY A 34 -25.104 30.769 -10.704 1.00 61.02 N ATOM 609 CA GLY A 34 -25.203 29.324 -10.609 1.00 50.35 C ATOM 610 C GLY A 34 -26.044 28.877 -9.430 1.00 65.10 C ATOM 611 O GLY A 34 -26.798 27.908 -9.527 1.00 5.44 O ATOM 0 H GLY A 34 -24.152 31.135 -10.692 1.00 61.02 H new ATOM 0 HA2 GLY A 34 -25.635 28.931 -11.529 1.00 50.35 H new ATOM 0 HA3 GLY A 34 -24.203 28.899 -10.520 1.00 50.35 H new ATOM 615 N LYS A 35 -25.914 29.582 -8.312 1.00 4.44 N ATOM 616 CA LYS A 35 -26.666 29.253 -7.107 1.00 55.30 C ATOM 617 C LYS A 35 -28.168 29.320 -7.369 1.00 3.15 C ATOM 618 O LYS A 35 -28.896 28.364 -7.103 1.00 24.02 O ATOM 619 CB LYS A 35 -26.293 30.208 -5.971 1.00 31.13 C ATOM 620 CG LYS A 35 -26.874 29.809 -4.625 1.00 63.52 C ATOM 621 CD LYS A 35 -27.496 30.997 -3.912 1.00 33.24 C ATOM 622 CE LYS A 35 -27.474 30.814 -2.402 1.00 14.32 C ATOM 623 NZ LYS A 35 -27.560 32.117 -1.684 1.00 60.54 N ATOM 0 H LYS A 35 -25.294 30.386 -8.215 1.00 4.44 H new ATOM 0 HA LYS A 35 -26.410 28.234 -6.815 1.00 55.30 H new ATOM 0 HB2 LYS A 35 -25.207 30.255 -5.889 1.00 31.13 H new ATOM 0 HB3 LYS A 35 -26.637 31.211 -6.223 1.00 31.13 H new ATOM 0 HG2 LYS A 35 -27.627 29.034 -4.768 1.00 63.52 H new ATOM 0 HG3 LYS A 35 -26.089 29.380 -4.002 1.00 63.52 H new ATOM 0 HD2 LYS A 35 -26.956 31.906 -4.177 1.00 33.24 H new ATOM 0 HD3 LYS A 35 -28.524 31.127 -4.249 1.00 33.24 H new ATOM 0 HE2 LYS A 35 -28.306 30.178 -2.101 1.00 14.32 H new ATOM 0 HE3 LYS A 35 -26.558 30.299 -2.112 1.00 14.32 H new ATOM 0 HZ1 LYS A 35 -27.542 31.950 -0.658 1.00 60.54 H new ATOM 0 HZ2 LYS A 35 -26.752 32.715 -1.952 1.00 60.54 H new ATOM 0 HZ3 LYS A 35 -28.446 32.597 -1.941 1.00 60.54 H new ATOM 637 N GLN A 36 -28.623 30.454 -7.892 1.00 21.04 N ATOM 638 CA GLN A 36 -30.038 30.644 -8.189 1.00 64.44 C ATOM 639 C GLN A 36 -30.495 29.690 -9.289 1.00 10.44 C ATOM 640 O GLN A 36 -31.629 29.210 -9.276 1.00 30.42 O ATOM 641 CB GLN A 36 -30.303 32.090 -8.610 1.00 4.33 C ATOM 642 CG GLN A 36 -31.355 32.787 -7.762 1.00 71.15 C ATOM 643 CD GLN A 36 -32.764 32.549 -8.270 1.00 22.03 C ATOM 644 OE1 GLN A 36 -32.966 32.187 -9.429 1.00 64.41 O ATOM 645 NE2 GLN A 36 -33.748 32.752 -7.402 1.00 30.13 N ATOM 0 H GLN A 36 -28.033 31.255 -8.119 1.00 21.04 H new ATOM 0 HA GLN A 36 -30.606 30.427 -7.284 1.00 64.44 H new ATOM 0 HB2 GLN A 36 -29.371 32.653 -8.553 1.00 4.33 H new ATOM 0 HB3 GLN A 36 -30.621 32.104 -9.653 1.00 4.33 H new ATOM 0 HG2 GLN A 36 -31.279 32.435 -6.733 1.00 71.15 H new ATOM 0 HG3 GLN A 36 -31.154 33.858 -7.748 1.00 71.15 H new ATOM 0 HE21 GLN A 36 -33.535 33.052 -6.451 1.00 30.13 H new ATOM 0 HE22 GLN A 36 -34.717 32.608 -7.687 1.00 30.13 H new ATOM 654 N LEU A 37 -29.607 29.421 -10.239 1.00 5.23 N ATOM 655 CA LEU A 37 -29.919 28.525 -11.347 1.00 1.04 C ATOM 656 C LEU A 37 -30.259 27.128 -10.838 1.00 20.13 C ATOM 657 O LEU A 37 -31.288 26.558 -11.200 1.00 1.23 O ATOM 658 CB LEU A 37 -28.740 28.453 -12.318 1.00 44.23 C ATOM 659 CG LEU A 37 -29.097 28.337 -13.800 1.00 53.25 C ATOM 660 CD1 LEU A 37 -28.610 29.558 -14.564 1.00 41.54 C ATOM 661 CD2 LEU A 37 -28.509 27.065 -14.393 1.00 41.12 C ATOM 0 H LEU A 37 -28.665 29.811 -10.265 1.00 5.23 H new ATOM 0 HA LEU A 37 -30.789 28.923 -11.870 1.00 1.04 H new ATOM 0 HB2 LEU A 37 -28.128 29.344 -12.181 1.00 44.23 H new ATOM 0 HB3 LEU A 37 -28.123 27.597 -12.046 1.00 44.23 H new ATOM 0 HG LEU A 37 -30.182 28.287 -13.889 1.00 53.25 H new ATOM 0 HD11 LEU A 37 -28.873 29.457 -15.617 1.00 41.54 H new ATOM 0 HD12 LEU A 37 -29.080 30.453 -14.157 1.00 41.54 H new ATOM 0 HD13 LEU A 37 -27.527 29.640 -14.467 1.00 41.54 H new ATOM 0 HD21 LEU A 37 -28.773 27.000 -15.448 1.00 41.12 H new ATOM 0 HD22 LEU A 37 -27.424 27.084 -14.291 1.00 41.12 H new ATOM 0 HD23 LEU A 37 -28.908 26.199 -13.865 1.00 41.12 H new ATOM 673 N ALA A 38 -29.388 26.583 -9.994 1.00 74.34 N ATOM 674 CA ALA A 38 -29.599 25.254 -9.432 1.00 44.52 C ATOM 675 C ALA A 38 -30.689 25.276 -8.367 1.00 33.33 C ATOM 676 O ALA A 38 -31.441 24.313 -8.213 1.00 60.33 O ATOM 677 CB ALA A 38 -28.300 24.716 -8.850 1.00 41.13 C ATOM 0 H ALA A 38 -28.531 27.041 -9.685 1.00 74.34 H new ATOM 0 HA ALA A 38 -29.926 24.594 -10.235 1.00 44.52 H new ATOM 0 HB1 ALA A 38 -28.471 23.723 -8.434 1.00 41.13 H new ATOM 0 HB2 ALA A 38 -27.547 24.655 -9.636 1.00 41.13 H new ATOM 0 HB3 ALA A 38 -27.950 25.384 -8.063 1.00 41.13 H new ATOM 683 N LYS A 39 -30.770 26.379 -7.631 1.00 52.44 N ATOM 684 CA LYS A 39 -31.769 26.527 -6.580 1.00 12.32 C ATOM 685 C LYS A 39 -33.175 26.313 -7.131 1.00 32.31 C ATOM 686 O LYS A 39 -34.080 25.901 -6.406 1.00 63.51 O ATOM 687 CB LYS A 39 -31.666 27.914 -5.942 1.00 13.45 C ATOM 688 CG LYS A 39 -32.632 28.126 -4.788 1.00 43.42 C ATOM 689 CD LYS A 39 -31.898 28.267 -3.465 1.00 43.13 C ATOM 690 CE LYS A 39 -32.820 28.002 -2.285 1.00 60.32 C ATOM 691 NZ LYS A 39 -32.058 27.671 -1.049 1.00 50.22 N ATOM 0 H LYS A 39 -30.155 27.185 -7.743 1.00 52.44 H new ATOM 0 HA LYS A 39 -31.576 25.769 -5.821 1.00 12.32 H new ATOM 0 HB2 LYS A 39 -30.647 28.066 -5.585 1.00 13.45 H new ATOM 0 HB3 LYS A 39 -31.852 28.670 -6.705 1.00 13.45 H new ATOM 0 HG2 LYS A 39 -33.229 29.020 -4.971 1.00 43.42 H new ATOM 0 HG3 LYS A 39 -33.325 27.286 -4.733 1.00 43.42 H new ATOM 0 HD2 LYS A 39 -31.060 27.571 -3.437 1.00 43.13 H new ATOM 0 HD3 LYS A 39 -31.481 29.271 -3.384 1.00 43.13 H new ATOM 0 HE2 LYS A 39 -33.441 28.880 -2.105 1.00 60.32 H new ATOM 0 HE3 LYS A 39 -33.493 27.180 -2.528 1.00 60.32 H new ATOM 0 HZ1 LYS A 39 -32.722 27.497 -0.268 1.00 50.22 H new ATOM 0 HZ2 LYS A 39 -31.485 26.819 -1.212 1.00 50.22 H new ATOM 0 HZ3 LYS A 39 -31.434 28.466 -0.803 1.00 50.22 H new