USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 396 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 25 LYS NZ :NH3+ -120:sc= -0.622 (180deg=-1.81!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 131:sc= 0.0376 (180deg=-0.0225) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -155:sc= -0.0254 (180deg=-0.266) 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 81:sc= 1.29 USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= -0.228 (180deg=-0.386) 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+ 179:sc= -0.343 (180deg=-0.349) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 1.39 (180deg=1.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0505 X(o=-0.051,f=-0.04) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 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= -0.207 K(o=-0.21,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.174 0.354 -0.147 1.00 33.53 N ATOM 2 CA LYS A 1 -0.279 1.096 -1.317 1.00 61.12 C ATOM 3 C LYS A 1 -0.670 2.521 -0.940 1.00 2.22 C ATOM 4 O LYS A 1 -1.115 2.778 0.179 1.00 25.02 O ATOM 5 CB LYS A 1 -1.467 0.386 -1.969 1.00 73.51 C ATOM 6 CG LYS A 1 -2.740 0.446 -1.143 1.00 12.14 C ATOM 7 CD LYS A 1 -3.388 -0.922 -1.016 1.00 34.42 C ATOM 8 CE LYS A 1 -4.648 -0.866 -0.165 1.00 3.13 C ATOM 9 NZ LYS A 1 -5.794 -0.274 -0.909 1.00 2.35 N ATOM 0 H1 LYS A 1 -0.312 -0.565 -0.109 1.00 33.53 H new ATOM 0 H2 LYS A 1 1.201 0.201 -0.209 1.00 33.53 H new ATOM 0 H3 LYS A 1 -0.043 0.896 0.713 1.00 33.53 H new ATOM 0 HA LYS A 1 0.545 1.140 -2.029 1.00 61.12 H new ATOM 0 HB2 LYS A 1 -1.656 0.833 -2.945 1.00 73.51 H new ATOM 0 HB3 LYS A 1 -1.205 -0.658 -2.142 1.00 73.51 H new ATOM 0 HG2 LYS A 1 -2.513 0.835 -0.151 1.00 12.14 H new ATOM 0 HG3 LYS A 1 -3.442 1.140 -1.605 1.00 12.14 H new ATOM 0 HD2 LYS A 1 -3.634 -1.303 -2.007 1.00 34.42 H new ATOM 0 HD3 LYS A 1 -2.679 -1.622 -0.573 1.00 34.42 H new ATOM 0 HE2 LYS A 1 -4.909 -1.872 0.164 1.00 3.13 H new ATOM 0 HE3 LYS A 1 -4.455 -0.278 0.732 1.00 3.13 H new ATOM 0 HZ1 LYS A 1 -6.633 -0.254 -0.295 1.00 2.35 H new ATOM 0 HZ2 LYS A 1 -5.555 0.695 -1.201 1.00 2.35 H new ATOM 0 HZ3 LYS A 1 -5.995 -0.850 -1.751 1.00 2.35 H new ATOM 23 N PHE A 2 -0.502 3.445 -1.881 1.00 33.43 N ATOM 24 CA PHE A 2 -0.838 4.844 -1.647 1.00 13.24 C ATOM 25 C PHE A 2 -1.550 5.442 -2.857 1.00 12.45 C ATOM 26 O PHE A 2 -1.054 5.372 -3.981 1.00 72.32 O ATOM 27 CB PHE A 2 0.425 5.649 -1.335 1.00 23.20 C ATOM 28 CG PHE A 2 0.349 6.408 -0.041 1.00 73.12 C ATOM 29 CD1 PHE A 2 -0.630 7.368 0.157 1.00 51.30 C ATOM 30 CD2 PHE A 2 1.256 6.161 0.977 1.00 40.44 C ATOM 31 CE1 PHE A 2 -0.704 8.068 1.347 1.00 44.45 C ATOM 32 CE2 PHE A 2 1.187 6.858 2.168 1.00 2.03 C ATOM 33 CZ PHE A 2 0.207 7.814 2.353 1.00 20.51 C ATOM 0 H PHE A 2 -0.135 3.250 -2.812 1.00 33.43 H new ATOM 0 HA PHE A 2 -1.511 4.892 -0.791 1.00 13.24 H new ATOM 0 HB2 PHE A 2 1.278 4.972 -1.300 1.00 23.20 H new ATOM 0 HB3 PHE A 2 0.609 6.351 -2.148 1.00 23.20 H new ATOM 0 HD1 PHE A 2 -1.344 7.572 -0.627 1.00 51.30 H new ATOM 0 HD2 PHE A 2 2.025 5.416 0.838 1.00 40.44 H new ATOM 0 HE1 PHE A 2 -1.473 8.812 1.489 1.00 44.45 H new ATOM 0 HE2 PHE A 2 1.899 6.655 2.954 1.00 2.03 H new ATOM 0 HZ PHE A 2 0.154 8.361 3.282 1.00 20.51 H new ATOM 43 N LYS A 3 -2.717 6.031 -2.617 1.00 51.14 N ATOM 44 CA LYS A 3 -3.499 6.643 -3.685 1.00 60.13 C ATOM 45 C LYS A 3 -2.841 7.930 -4.172 1.00 72.05 C ATOM 46 O LYS A 3 -2.790 8.924 -3.449 1.00 14.44 O ATOM 47 CB LYS A 3 -4.921 6.936 -3.201 1.00 23.03 C ATOM 48 CG LYS A 3 -5.597 5.745 -2.545 1.00 33.23 C ATOM 49 CD LYS A 3 -5.789 4.602 -3.527 1.00 60.50 C ATOM 50 CE LYS A 3 -7.247 4.177 -3.610 1.00 71.33 C ATOM 51 NZ LYS A 3 -7.771 3.732 -2.289 1.00 74.24 N ATOM 0 H LYS A 3 -3.142 6.097 -1.692 1.00 51.14 H new ATOM 0 HA LYS A 3 -3.543 5.941 -4.517 1.00 60.13 H new ATOM 0 HB2 LYS A 3 -4.891 7.763 -2.491 1.00 23.03 H new ATOM 0 HB3 LYS A 3 -5.524 7.264 -4.048 1.00 23.03 H new ATOM 0 HG2 LYS A 3 -4.997 5.404 -1.701 1.00 33.23 H new ATOM 0 HG3 LYS A 3 -6.565 6.049 -2.146 1.00 33.23 H new ATOM 0 HD2 LYS A 3 -5.441 4.907 -4.514 1.00 60.50 H new ATOM 0 HD3 LYS A 3 -5.178 3.752 -3.222 1.00 60.50 H new ATOM 0 HE2 LYS A 3 -7.848 5.009 -3.977 1.00 71.33 H new ATOM 0 HE3 LYS A 3 -7.349 3.367 -4.333 1.00 71.33 H new ATOM 0 HZ1 LYS A 3 -8.567 3.079 -2.434 1.00 74.24 H new ATOM 0 HZ2 LYS A 3 -7.017 3.247 -1.762 1.00 74.24 H new ATOM 0 HZ3 LYS A 3 -8.095 4.559 -1.748 1.00 74.24 H new ATOM 65 N TRP A 4 -2.341 7.904 -5.402 1.00 43.13 N ATOM 66 CA TRP A 4 -1.688 9.070 -5.986 1.00 45.21 C ATOM 67 C TRP A 4 -2.716 10.056 -6.529 1.00 35.31 C ATOM 68 O TRP A 4 -2.608 11.262 -6.315 1.00 3.24 O ATOM 69 CB TRP A 4 -0.735 8.641 -7.103 1.00 72.14 C ATOM 70 CG TRP A 4 0.491 7.941 -6.602 1.00 64.41 C ATOM 71 CD1 TRP A 4 0.905 6.680 -6.925 1.00 62.13 C ATOM 72 CD2 TRP A 4 1.461 8.461 -5.687 1.00 5.13 C ATOM 73 NE1 TRP A 4 2.074 6.385 -6.266 1.00 1.31 N ATOM 74 CE2 TRP A 4 2.437 7.462 -5.500 1.00 73.24 C ATOM 75 CE3 TRP A 4 1.602 9.674 -5.008 1.00 45.50 C ATOM 76 CZ2 TRP A 4 3.535 7.641 -4.663 1.00 73.42 C ATOM 77 CZ3 TRP A 4 2.693 9.850 -4.177 1.00 54.22 C ATOM 78 CH2 TRP A 4 3.648 8.838 -4.011 1.00 55.30 C ATOM 0 H TRP A 4 -2.375 7.089 -6.014 1.00 43.13 H new ATOM 0 HA TRP A 4 -1.117 9.566 -5.201 1.00 45.21 H new ATOM 0 HB2 TRP A 4 -1.266 7.982 -7.790 1.00 72.14 H new ATOM 0 HB3 TRP A 4 -0.435 9.521 -7.673 1.00 72.14 H new ATOM 0 HD1 TRP A 4 0.389 6.013 -7.599 1.00 62.13 H new ATOM 0 HE1 TRP A 4 2.588 5.507 -6.336 1.00 1.31 H new ATOM 0 HE3 TRP A 4 0.872 10.460 -5.130 1.00 45.50 H new ATOM 0 HZ2 TRP A 4 4.272 6.862 -4.533 1.00 73.42 H new ATOM 0 HZ3 TRP A 4 2.811 10.783 -3.647 1.00 54.22 H new ATOM 0 HH2 TRP A 4 4.490 9.007 -3.355 1.00 55.30 H new ATOM 89 N GLY A 5 -3.716 9.533 -7.233 1.00 51.43 N ATOM 90 CA GLY A 5 -4.750 10.382 -7.796 1.00 11.34 C ATOM 91 C GLY A 5 -5.494 11.169 -6.735 1.00 54.32 C ATOM 92 O GLY A 5 -5.883 12.316 -6.960 1.00 72.32 O ATOM 0 H GLY A 5 -3.828 8.537 -7.423 1.00 51.43 H new ATOM 0 HA2 GLY A 5 -4.300 11.073 -8.509 1.00 11.34 H new ATOM 0 HA3 GLY A 5 -5.458 9.767 -8.352 1.00 11.34 H new ATOM 96 N LYS A 6 -5.696 10.553 -5.575 1.00 65.14 N ATOM 97 CA LYS A 6 -6.399 11.202 -4.475 1.00 63.13 C ATOM 98 C LYS A 6 -5.654 12.451 -4.015 1.00 40.01 C ATOM 99 O LYS A 6 -6.219 13.545 -3.979 1.00 42.11 O ATOM 100 CB LYS A 6 -6.561 10.231 -3.303 1.00 51.34 C ATOM 101 CG LYS A 6 -7.089 10.887 -2.039 1.00 52.02 C ATOM 102 CD LYS A 6 -7.867 9.902 -1.183 1.00 23.41 C ATOM 103 CE LYS A 6 -7.975 10.379 0.257 1.00 22.13 C ATOM 104 NZ LYS A 6 -8.257 9.256 1.194 1.00 52.20 N ATOM 0 H LYS A 6 -5.382 9.604 -5.372 1.00 65.14 H new ATOM 0 HA LYS A 6 -7.385 11.499 -4.832 1.00 63.13 H new ATOM 0 HB2 LYS A 6 -7.239 9.430 -3.597 1.00 51.34 H new ATOM 0 HB3 LYS A 6 -5.597 9.770 -3.088 1.00 51.34 H new ATOM 0 HG2 LYS A 6 -6.257 11.292 -1.464 1.00 52.02 H new ATOM 0 HG3 LYS A 6 -7.732 11.726 -2.305 1.00 52.02 H new ATOM 0 HD2 LYS A 6 -8.866 9.767 -1.598 1.00 23.41 H new ATOM 0 HD3 LYS A 6 -7.377 8.929 -1.209 1.00 23.41 H new ATOM 0 HE2 LYS A 6 -7.046 10.870 0.548 1.00 22.13 H new ATOM 0 HE3 LYS A 6 -8.767 11.124 0.334 1.00 22.13 H new ATOM 0 HZ1 LYS A 6 -8.323 9.622 2.165 1.00 52.20 H new ATOM 0 HZ2 LYS A 6 -9.156 8.803 0.933 1.00 52.20 H new ATOM 0 HZ3 LYS A 6 -7.489 8.557 1.139 1.00 52.20 H new ATOM 118 N LEU A 7 -4.384 12.282 -3.665 1.00 63.44 N ATOM 119 CA LEU A 7 -3.561 13.396 -3.209 1.00 4.22 C ATOM 120 C LEU A 7 -3.433 14.459 -4.295 1.00 1.50 C ATOM 121 O LEU A 7 -3.665 15.643 -4.050 1.00 14.42 O ATOM 122 CB LEU A 7 -2.173 12.898 -2.801 1.00 60.24 C ATOM 123 CG LEU A 7 -1.642 13.412 -1.463 1.00 24.41 C ATOM 124 CD1 LEU A 7 -0.452 12.581 -1.006 1.00 73.24 C ATOM 125 CD2 LEU A 7 -1.259 14.881 -1.569 1.00 61.44 C ATOM 0 H LEU A 7 -3.902 11.384 -3.688 1.00 63.44 H new ATOM 0 HA LEU A 7 -4.048 13.844 -2.343 1.00 4.22 H new ATOM 0 HB2 LEU A 7 -2.196 11.809 -2.766 1.00 60.24 H new ATOM 0 HB3 LEU A 7 -1.465 13.177 -3.581 1.00 60.24 H new ATOM 0 HG LEU A 7 -2.433 13.316 -0.720 1.00 24.41 H new ATOM 0 HD11 LEU A 7 -0.087 12.962 -0.052 1.00 73.24 H new ATOM 0 HD12 LEU A 7 -0.758 11.541 -0.889 1.00 73.24 H new ATOM 0 HD13 LEU A 7 0.343 12.644 -1.749 1.00 73.24 H new ATOM 0 HD21 LEU A 7 -0.883 15.229 -0.607 1.00 61.44 H new ATOM 0 HD22 LEU A 7 -0.484 15.001 -2.326 1.00 61.44 H new ATOM 0 HD23 LEU A 7 -2.135 15.466 -1.850 1.00 61.44 H new ATOM 137 N PHE A 8 -3.064 14.029 -5.497 1.00 21.12 N ATOM 138 CA PHE A 8 -2.907 14.944 -6.622 1.00 24.45 C ATOM 139 C PHE A 8 -4.194 15.722 -6.873 1.00 54.45 C ATOM 140 O PHE A 8 -4.205 16.953 -6.839 1.00 72.24 O ATOM 141 CB PHE A 8 -2.509 14.172 -7.882 1.00 2.42 C ATOM 142 CG PHE A 8 -1.250 14.681 -8.524 1.00 1.43 C ATOM 143 CD1 PHE A 8 -0.015 14.173 -8.156 1.00 24.21 C ATOM 144 CD2 PHE A 8 -1.302 15.668 -9.495 1.00 62.22 C ATOM 145 CE1 PHE A 8 1.145 14.640 -8.745 1.00 3.05 C ATOM 146 CE2 PHE A 8 -0.145 16.139 -10.088 1.00 32.33 C ATOM 147 CZ PHE A 8 1.080 15.623 -9.712 1.00 51.24 C ATOM 0 H PHE A 8 -2.868 13.053 -5.717 1.00 21.12 H new ATOM 0 HA PHE A 8 -2.117 15.654 -6.375 1.00 24.45 H new ATOM 0 HB2 PHE A 8 -2.378 13.120 -7.628 1.00 2.42 H new ATOM 0 HB3 PHE A 8 -3.323 14.227 -8.604 1.00 2.42 H new ATOM 0 HD1 PHE A 8 0.042 13.403 -7.400 1.00 24.21 H new ATOM 0 HD2 PHE A 8 -2.257 16.074 -9.792 1.00 62.22 H new ATOM 0 HE1 PHE A 8 2.102 14.236 -8.449 1.00 3.05 H new ATOM 0 HE2 PHE A 8 -0.199 16.909 -10.844 1.00 32.33 H new ATOM 0 HZ PHE A 8 1.985 15.988 -10.174 1.00 51.24 H new ATOM 157 N SER A 9 -5.278 14.996 -7.127 1.00 32.10 N ATOM 158 CA SER A 9 -6.571 15.617 -7.389 1.00 40.53 C ATOM 159 C SER A 9 -6.929 16.611 -6.289 1.00 12.44 C ATOM 160 O SER A 9 -7.202 17.782 -6.557 1.00 33.03 O ATOM 161 CB SER A 9 -7.661 14.550 -7.502 1.00 64.51 C ATOM 162 OG SER A 9 -8.915 15.131 -7.813 1.00 43.43 O ATOM 0 H SER A 9 -5.286 13.976 -7.157 1.00 32.10 H new ATOM 0 HA SER A 9 -6.502 16.156 -8.334 1.00 40.53 H new ATOM 0 HB2 SER A 9 -7.390 13.829 -8.273 1.00 64.51 H new ATOM 0 HB3 SER A 9 -7.734 14.000 -6.564 1.00 64.51 H new ATOM 0 HG SER A 9 -9.594 14.427 -7.881 1.00 43.43 H new ATOM 168 N THR A 10 -6.926 16.136 -5.047 1.00 11.31 N ATOM 169 CA THR A 10 -7.251 16.981 -3.905 1.00 35.14 C ATOM 170 C THR A 10 -6.419 18.258 -3.910 1.00 23.30 C ATOM 171 O THR A 10 -6.960 19.363 -3.920 1.00 60.21 O ATOM 172 CB THR A 10 -7.024 16.239 -2.574 1.00 61.42 C ATOM 173 OG1 THR A 10 -7.855 15.074 -2.515 1.00 0.15 O ATOM 174 CG2 THR A 10 -7.326 17.145 -1.390 1.00 72.14 C ATOM 0 H THR A 10 -6.702 15.170 -4.807 1.00 11.31 H new ATOM 0 HA THR A 10 -8.306 17.239 -3.994 1.00 35.14 H new ATOM 0 HB THR A 10 -5.977 15.941 -2.524 1.00 61.42 H new ATOM 0 HG1 THR A 10 -7.439 14.349 -3.027 1.00 0.15 H new ATOM 0 HG21 THR A 10 -7.158 16.599 -0.462 1.00 72.14 H new ATOM 0 HG22 THR A 10 -6.671 18.016 -1.422 1.00 72.14 H new ATOM 0 HG23 THR A 10 -8.365 17.471 -1.437 1.00 72.14 H new ATOM 182 N ALA A 11 -5.099 18.098 -3.904 1.00 14.23 N ATOM 183 CA ALA A 11 -4.192 19.239 -3.911 1.00 21.13 C ATOM 184 C ALA A 11 -4.502 20.180 -5.070 1.00 65.43 C ATOM 185 O ALA A 11 -4.496 21.401 -4.912 1.00 24.53 O ATOM 186 CB ALA A 11 -2.748 18.764 -3.985 1.00 12.35 C ATOM 0 H ALA A 11 -4.635 17.190 -3.894 1.00 14.23 H new ATOM 0 HA ALA A 11 -4.334 19.791 -2.982 1.00 21.13 H new ATOM 0 HB1 ALA A 11 -2.081 19.626 -3.990 1.00 12.35 H new ATOM 0 HB2 ALA A 11 -2.526 18.138 -3.121 1.00 12.35 H new ATOM 0 HB3 ALA A 11 -2.601 18.187 -4.898 1.00 12.35 H new ATOM 192 N LYS A 12 -4.771 19.604 -6.237 1.00 53.01 N ATOM 193 CA LYS A 12 -5.084 20.390 -7.424 1.00 50.35 C ATOM 194 C LYS A 12 -6.296 21.284 -7.182 1.00 32.24 C ATOM 195 O LYS A 12 -6.229 22.501 -7.357 1.00 22.44 O ATOM 196 CB LYS A 12 -5.347 19.468 -8.617 1.00 55.21 C ATOM 197 CG LYS A 12 -4.675 19.926 -9.900 1.00 32.11 C ATOM 198 CD LYS A 12 -5.693 20.397 -10.925 1.00 62.04 C ATOM 199 CE LYS A 12 -6.120 19.265 -11.848 1.00 5.33 C ATOM 200 NZ LYS A 12 -6.614 18.085 -11.086 1.00 13.43 N ATOM 0 H LYS A 12 -4.778 18.595 -6.386 1.00 53.01 H new ATOM 0 HA LYS A 12 -4.226 21.024 -7.645 1.00 50.35 H new ATOM 0 HB2 LYS A 12 -4.999 18.464 -8.373 1.00 55.21 H new ATOM 0 HB3 LYS A 12 -6.422 19.401 -8.784 1.00 55.21 H new ATOM 0 HG2 LYS A 12 -3.979 20.735 -9.679 1.00 32.11 H new ATOM 0 HG3 LYS A 12 -4.089 19.107 -10.317 1.00 32.11 H new ATOM 0 HD2 LYS A 12 -6.567 20.800 -10.413 1.00 62.04 H new ATOM 0 HD3 LYS A 12 -5.268 21.208 -11.515 1.00 62.04 H new ATOM 0 HE2 LYS A 12 -6.904 19.619 -12.518 1.00 5.33 H new ATOM 0 HE3 LYS A 12 -5.277 18.968 -12.472 1.00 5.33 H new ATOM 0 HZ1 LYS A 12 -7.005 17.384 -11.747 1.00 13.43 H new ATOM 0 HZ2 LYS A 12 -5.827 17.660 -10.556 1.00 13.43 H new ATOM 0 HZ3 LYS A 12 -7.356 18.386 -10.422 1.00 13.43 H new ATOM 214 N LYS A 13 -7.404 20.673 -6.776 1.00 72.32 N ATOM 215 CA LYS A 13 -8.631 21.412 -6.506 1.00 54.22 C ATOM 216 C LYS A 13 -8.396 22.491 -5.454 1.00 51.30 C ATOM 217 O LYS A 13 -8.602 23.678 -5.710 1.00 53.34 O ATOM 218 CB LYS A 13 -9.733 20.459 -6.037 1.00 1.00 C ATOM 219 CG LYS A 13 -11.056 20.658 -6.756 1.00 32.14 C ATOM 220 CD LYS A 13 -11.453 19.422 -7.545 1.00 71.03 C ATOM 221 CE LYS A 13 -12.957 19.357 -7.761 1.00 14.52 C ATOM 222 NZ LYS A 13 -13.368 18.091 -8.427 1.00 35.41 N ATOM 0 H LYS A 13 -7.477 19.667 -6.627 1.00 72.32 H new ATOM 0 HA LYS A 13 -8.946 21.894 -7.432 1.00 54.22 H new ATOM 0 HB2 LYS A 13 -9.400 19.432 -6.184 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -9.887 20.594 -4.966 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -11.834 20.893 -6.030 1.00 32.14 H new ATOM 0 HG3 LYS A 13 -10.980 21.512 -7.429 1.00 32.14 H new ATOM 0 HD2 LYS A 13 -10.946 19.427 -8.510 1.00 71.03 H new ATOM 0 HD3 LYS A 13 -11.122 18.529 -7.015 1.00 71.03 H new ATOM 0 HE2 LYS A 13 -13.466 19.444 -6.801 1.00 14.52 H new ATOM 0 HE3 LYS A 13 -13.274 20.206 -8.367 1.00 14.52 H new ATOM 0 HZ1 LYS A 13 -14.400 18.086 -8.556 1.00 35.41 H new ATOM 0 HZ2 LYS A 13 -12.903 18.020 -9.354 1.00 35.41 H new ATOM 0 HZ3 LYS A 13 -13.089 17.282 -7.837 1.00 35.41 H new ATOM 236 N LEU A 14 -7.962 22.072 -4.270 1.00 52.34 N ATOM 237 CA LEU A 14 -7.697 23.004 -3.179 1.00 61.53 C ATOM 238 C LEU A 14 -6.777 24.131 -3.637 1.00 24.41 C ATOM 239 O LEU A 14 -6.955 25.286 -3.252 1.00 51.41 O ATOM 240 CB LEU A 14 -7.069 22.267 -1.995 1.00 35.52 C ATOM 241 CG LEU A 14 -7.967 22.074 -0.772 1.00 54.11 C ATOM 242 CD1 LEU A 14 -7.338 21.092 0.203 1.00 23.13 C ATOM 243 CD2 LEU A 14 -8.234 23.408 -0.091 1.00 1.52 C ATOM 0 H LEU A 14 -7.786 21.094 -4.041 1.00 52.34 H new ATOM 0 HA LEU A 14 -8.646 23.439 -2.867 1.00 61.53 H new ATOM 0 HB2 LEU A 14 -6.739 21.286 -2.337 1.00 35.52 H new ATOM 0 HB3 LEU A 14 -6.178 22.813 -1.684 1.00 35.52 H new ATOM 0 HG LEU A 14 -8.919 21.662 -1.106 1.00 54.11 H new ATOM 0 HD11 LEU A 14 -7.991 20.968 1.067 1.00 23.13 H new ATOM 0 HD12 LEU A 14 -7.199 20.129 -0.289 1.00 23.13 H new ATOM 0 HD13 LEU A 14 -6.371 21.474 0.531 1.00 23.13 H new ATOM 0 HD21 LEU A 14 -8.874 23.252 0.777 1.00 1.52 H new ATOM 0 HD22 LEU A 14 -7.290 23.848 0.229 1.00 1.52 H new ATOM 0 HD23 LEU A 14 -8.729 24.081 -0.791 1.00 1.52 H new ATOM 255 N TYR A 15 -5.794 23.787 -4.462 1.00 22.44 N ATOM 256 CA TYR A 15 -4.845 24.769 -4.972 1.00 11.31 C ATOM 257 C TYR A 15 -5.549 25.805 -5.843 1.00 73.24 C ATOM 258 O TYR A 15 -5.613 26.985 -5.498 1.00 33.11 O ATOM 259 CB TYR A 15 -3.743 24.076 -5.774 1.00 43.12 C ATOM 260 CG TYR A 15 -2.805 25.037 -6.470 1.00 71.42 C ATOM 261 CD1 TYR A 15 -1.941 25.845 -5.742 1.00 51.45 C ATOM 262 CD2 TYR A 15 -2.783 25.135 -7.856 1.00 63.51 C ATOM 263 CE1 TYR A 15 -1.084 26.725 -6.374 1.00 65.13 C ATOM 264 CE2 TYR A 15 -1.927 26.010 -8.497 1.00 13.24 C ATOM 265 CZ TYR A 15 -1.080 26.804 -7.751 1.00 71.54 C ATOM 266 OH TYR A 15 -0.226 27.677 -8.385 1.00 13.33 O ATOM 0 H TYR A 15 -5.634 22.835 -4.792 1.00 22.44 H new ATOM 0 HA TYR A 15 -4.397 25.281 -4.120 1.00 11.31 H new ATOM 0 HB2 TYR A 15 -3.165 23.438 -5.105 1.00 43.12 H new ATOM 0 HB3 TYR A 15 -4.202 23.425 -6.519 1.00 43.12 H new ATOM 0 HD1 TYR A 15 -1.939 25.784 -4.664 1.00 51.45 H new ATOM 0 HD2 TYR A 15 -3.446 24.517 -8.442 1.00 63.51 H new ATOM 0 HE1 TYR A 15 -0.420 27.348 -5.793 1.00 65.13 H new ATOM 0 HE2 TYR A 15 -1.921 26.072 -9.575 1.00 13.24 H new ATOM 0 HH TYR A 15 -0.348 27.608 -9.355 1.00 13.33 H new ATOM 276 N LYS A 16 -6.078 25.354 -6.976 1.00 43.21 N ATOM 277 CA LYS A 16 -6.780 26.239 -7.899 1.00 22.45 C ATOM 278 C LYS A 16 -7.893 26.997 -7.184 1.00 12.34 C ATOM 279 O LYS A 16 -7.887 28.227 -7.132 1.00 41.42 O ATOM 280 CB LYS A 16 -7.362 25.436 -9.064 1.00 31.51 C ATOM 281 CG LYS A 16 -6.687 25.719 -10.395 1.00 33.41 C ATOM 282 CD LYS A 16 -6.150 24.447 -11.029 1.00 64.21 C ATOM 283 CE LYS A 16 -7.273 23.572 -11.562 1.00 74.52 C ATOM 284 NZ LYS A 16 -7.168 23.368 -13.034 1.00 3.24 N ATOM 0 H LYS A 16 -6.034 24.380 -7.277 1.00 43.21 H new ATOM 0 HA LYS A 16 -6.063 26.962 -8.287 1.00 22.45 H new ATOM 0 HB2 LYS A 16 -7.275 24.373 -8.841 1.00 31.51 H new ATOM 0 HB3 LYS A 16 -8.426 25.657 -9.151 1.00 31.51 H new ATOM 0 HG2 LYS A 16 -7.399 26.192 -11.072 1.00 33.41 H new ATOM 0 HG3 LYS A 16 -5.870 26.426 -10.247 1.00 33.41 H new ATOM 0 HD2 LYS A 16 -5.470 24.703 -11.842 1.00 64.21 H new ATOM 0 HD3 LYS A 16 -5.571 23.889 -10.293 1.00 64.21 H new ATOM 0 HE2 LYS A 16 -7.250 22.605 -11.059 1.00 74.52 H new ATOM 0 HE3 LYS A 16 -8.233 24.031 -11.327 1.00 74.52 H new ATOM 0 HZ1 LYS A 16 -7.952 22.766 -13.358 1.00 3.24 H new ATOM 0 HZ2 LYS A 16 -7.216 24.288 -13.516 1.00 3.24 H new ATOM 0 HZ3 LYS A 16 -6.263 22.907 -13.257 1.00 3.24 H new ATOM 298 N LYS A 17 -8.848 26.256 -6.632 1.00 0.35 N ATOM 299 CA LYS A 17 -9.967 26.858 -5.917 1.00 12.14 C ATOM 300 C LYS A 17 -9.471 27.791 -4.817 1.00 15.53 C ATOM 301 O LYS A 17 -10.093 28.813 -4.529 1.00 54.34 O ATOM 302 CB LYS A 17 -10.858 25.770 -5.313 1.00 72.24 C ATOM 303 CG LYS A 17 -11.459 24.833 -6.347 1.00 43.14 C ATOM 304 CD LYS A 17 -12.973 24.948 -6.391 1.00 52.22 C ATOM 305 CE LYS A 17 -13.628 23.595 -6.623 1.00 54.32 C ATOM 306 NZ LYS A 17 -13.314 23.051 -7.973 1.00 71.02 N ATOM 0 H LYS A 17 -8.869 25.237 -6.666 1.00 0.35 H new ATOM 0 HA LYS A 17 -10.549 27.442 -6.630 1.00 12.14 H new ATOM 0 HB2 LYS A 17 -10.273 25.186 -4.602 1.00 72.24 H new ATOM 0 HB3 LYS A 17 -11.664 26.242 -4.751 1.00 72.24 H new ATOM 0 HG2 LYS A 17 -11.047 25.062 -7.330 1.00 43.14 H new ATOM 0 HG3 LYS A 17 -11.178 23.806 -6.115 1.00 43.14 H new ATOM 0 HD2 LYS A 17 -13.334 25.372 -5.454 1.00 52.22 H new ATOM 0 HD3 LYS A 17 -13.264 25.635 -7.185 1.00 52.22 H new ATOM 0 HE2 LYS A 17 -13.290 22.893 -5.861 1.00 54.32 H new ATOM 0 HE3 LYS A 17 -14.708 23.691 -6.512 1.00 54.32 H new ATOM 0 HZ1 LYS A 17 -13.765 22.121 -8.086 1.00 71.02 H new ATOM 0 HZ2 LYS A 17 -13.674 23.701 -8.701 1.00 71.02 H new ATOM 0 HZ3 LYS A 17 -12.284 22.951 -8.076 1.00 71.02 H new ATOM 320 N GLY A 18 -8.346 27.433 -4.205 1.00 54.41 N ATOM 321 CA GLY A 18 -7.786 28.251 -3.145 1.00 20.42 C ATOM 322 C GLY A 18 -7.436 29.649 -3.614 1.00 32.01 C ATOM 323 O GLY A 18 -7.870 30.638 -3.022 1.00 23.43 O ATOM 0 H GLY A 18 -7.813 26.592 -4.424 1.00 54.41 H new ATOM 0 HA2 GLY A 18 -8.500 28.315 -2.324 1.00 20.42 H new ATOM 0 HA3 GLY A 18 -6.891 27.768 -2.752 1.00 20.42 H new ATOM 327 N LYS A 19 -6.648 29.734 -4.680 1.00 71.32 N ATOM 328 CA LYS A 19 -6.239 31.021 -5.229 1.00 62.04 C ATOM 329 C LYS A 19 -7.446 31.808 -5.729 1.00 71.35 C ATOM 330 O LYS A 19 -7.661 32.953 -5.333 1.00 53.41 O ATOM 331 CB LYS A 19 -5.241 30.817 -6.372 1.00 2.35 C ATOM 332 CG LYS A 19 -4.145 29.816 -6.050 1.00 70.34 C ATOM 333 CD LYS A 19 -4.017 28.762 -7.138 1.00 5.14 C ATOM 334 CE LYS A 19 -3.584 29.376 -8.460 1.00 72.04 C ATOM 335 NZ LYS A 19 -3.600 28.379 -9.566 1.00 64.41 N ATOM 0 H LYS A 19 -6.279 28.926 -5.181 1.00 71.32 H new ATOM 0 HA LYS A 19 -5.760 31.591 -4.433 1.00 62.04 H new ATOM 0 HB2 LYS A 19 -5.780 30.481 -7.258 1.00 2.35 H new ATOM 0 HB3 LYS A 19 -4.785 31.775 -6.621 1.00 2.35 H new ATOM 0 HG2 LYS A 19 -3.196 30.339 -5.935 1.00 70.34 H new ATOM 0 HG3 LYS A 19 -4.361 29.333 -5.097 1.00 70.34 H new ATOM 0 HD2 LYS A 19 -3.293 28.007 -6.832 1.00 5.14 H new ATOM 0 HD3 LYS A 19 -4.972 28.253 -7.267 1.00 5.14 H new ATOM 0 HE2 LYS A 19 -4.246 30.206 -8.709 1.00 72.04 H new ATOM 0 HE3 LYS A 19 -2.580 29.789 -8.357 1.00 72.04 H new ATOM 0 HZ1 LYS A 19 -2.985 28.707 -10.338 1.00 64.41 H new ATOM 0 HZ2 LYS A 19 -3.255 27.464 -9.213 1.00 64.41 H new ATOM 0 HZ3 LYS A 19 -4.572 28.269 -9.920 1.00 64.41 H new ATOM 349 N LYS A 20 -8.232 31.185 -6.601 1.00 54.42 N ATOM 350 CA LYS A 20 -9.420 31.826 -7.154 1.00 32.52 C ATOM 351 C LYS A 20 -10.324 32.349 -6.042 1.00 25.24 C ATOM 352 O LYS A 20 -10.888 33.439 -6.147 1.00 62.33 O ATOM 353 CB LYS A 20 -10.194 30.840 -8.032 1.00 61.23 C ATOM 354 CG LYS A 20 -9.597 30.662 -9.418 1.00 13.22 C ATOM 355 CD LYS A 20 -10.014 29.340 -10.039 1.00 73.31 C ATOM 356 CE LYS A 20 -10.449 29.516 -11.486 1.00 14.12 C ATOM 357 NZ LYS A 20 -11.514 28.547 -11.867 1.00 65.32 N ATOM 0 H LYS A 20 -8.068 30.237 -6.940 1.00 54.42 H new ATOM 0 HA LYS A 20 -9.096 32.670 -7.763 1.00 32.52 H new ATOM 0 HB2 LYS A 20 -10.228 29.871 -7.533 1.00 61.23 H new ATOM 0 HB3 LYS A 20 -11.223 31.185 -8.130 1.00 61.23 H new ATOM 0 HG2 LYS A 20 -9.915 31.483 -10.060 1.00 13.22 H new ATOM 0 HG3 LYS A 20 -8.510 30.709 -9.356 1.00 13.22 H new ATOM 0 HD2 LYS A 20 -9.183 28.636 -9.991 1.00 73.31 H new ATOM 0 HD3 LYS A 20 -10.832 28.908 -9.462 1.00 73.31 H new ATOM 0 HE2 LYS A 20 -10.813 30.533 -11.635 1.00 14.12 H new ATOM 0 HE3 LYS A 20 -9.588 29.386 -12.142 1.00 14.12 H new ATOM 0 HZ1 LYS A 20 -11.783 28.699 -12.860 1.00 65.32 H new ATOM 0 HZ2 LYS A 20 -11.159 27.577 -11.750 1.00 65.32 H new ATOM 0 HZ3 LYS A 20 -12.345 28.687 -11.258 1.00 65.32 H new ATOM 371 N LEU A 21 -10.455 31.567 -4.976 1.00 13.02 N ATOM 372 CA LEU A 21 -11.289 31.953 -3.843 1.00 31.45 C ATOM 373 C LEU A 21 -10.565 32.955 -2.949 1.00 63.34 C ATOM 374 O LEU A 21 -11.189 33.656 -2.153 1.00 44.34 O ATOM 375 CB LEU A 21 -11.681 30.718 -3.029 1.00 74.23 C ATOM 376 CG LEU A 21 -12.714 30.942 -1.924 1.00 53.24 C ATOM 377 CD1 LEU A 21 -13.801 29.880 -1.986 1.00 0.01 C ATOM 378 CD2 LEU A 21 -12.043 30.942 -0.559 1.00 0.53 C ATOM 0 H LEU A 21 -9.995 30.663 -4.872 1.00 13.02 H new ATOM 0 HA LEU A 21 -12.190 32.426 -4.232 1.00 31.45 H new ATOM 0 HB2 LEU A 21 -12.069 29.964 -3.714 1.00 74.23 H new ATOM 0 HB3 LEU A 21 -10.779 30.304 -2.577 1.00 74.23 H new ATOM 0 HG LEU A 21 -13.178 31.916 -2.079 1.00 53.24 H new ATOM 0 HD11 LEU A 21 -14.527 30.056 -1.192 1.00 0.01 H new ATOM 0 HD12 LEU A 21 -14.302 29.928 -2.953 1.00 0.01 H new ATOM 0 HD13 LEU A 21 -13.354 28.894 -1.857 1.00 0.01 H new ATOM 0 HD21 LEU A 21 -12.793 31.103 0.215 1.00 0.53 H new ATOM 0 HD22 LEU A 21 -11.552 29.983 -0.395 1.00 0.53 H new ATOM 0 HD23 LEU A 21 -11.302 31.741 -0.518 1.00 0.53 H new ATOM 390 N SER A 22 -9.244 33.017 -3.089 1.00 13.41 N ATOM 391 CA SER A 22 -8.434 33.933 -2.294 1.00 33.34 C ATOM 392 C SER A 22 -8.380 35.313 -2.942 1.00 24.13 C ATOM 393 O SER A 22 -8.190 36.323 -2.264 1.00 42.21 O ATOM 394 CB SER A 22 -7.018 33.379 -2.125 1.00 40.34 C ATOM 395 OG SER A 22 -6.096 34.416 -1.835 1.00 35.10 O ATOM 0 H SER A 22 -8.713 32.444 -3.745 1.00 13.41 H new ATOM 0 HA SER A 22 -8.897 34.031 -1.312 1.00 33.34 H new ATOM 0 HB2 SER A 22 -7.006 32.642 -1.322 1.00 40.34 H new ATOM 0 HB3 SER A 22 -6.715 32.863 -3.036 1.00 40.34 H new ATOM 0 HG SER A 22 -5.199 34.036 -1.730 1.00 35.10 H new ATOM 401 N LYS A 23 -8.547 35.348 -4.259 1.00 72.23 N ATOM 402 CA LYS A 23 -8.519 36.602 -5.002 1.00 4.33 C ATOM 403 C LYS A 23 -9.734 37.460 -4.667 1.00 55.41 C ATOM 404 O LYS A 23 -9.629 38.445 -3.937 1.00 42.24 O ATOM 405 CB LYS A 23 -8.474 36.327 -6.507 1.00 2.45 C ATOM 406 CG LYS A 23 -7.117 36.598 -7.134 1.00 55.32 C ATOM 407 CD LYS A 23 -7.032 38.010 -7.690 1.00 31.01 C ATOM 408 CE LYS A 23 -6.238 38.052 -8.986 1.00 64.42 C ATOM 409 NZ LYS A 23 -5.983 39.448 -9.436 1.00 41.10 N ATOM 0 H LYS A 23 -8.703 34.521 -4.835 1.00 72.23 H new ATOM 0 HA LYS A 23 -7.621 37.147 -4.712 1.00 4.33 H new ATOM 0 HB2 LYS A 23 -8.747 35.287 -6.686 1.00 2.45 H new ATOM 0 HB3 LYS A 23 -9.224 36.943 -7.003 1.00 2.45 H new ATOM 0 HG2 LYS A 23 -6.335 36.452 -6.389 1.00 55.32 H new ATOM 0 HG3 LYS A 23 -6.934 35.880 -7.933 1.00 55.32 H new ATOM 0 HD2 LYS A 23 -8.037 38.394 -7.865 1.00 31.01 H new ATOM 0 HD3 LYS A 23 -6.564 38.664 -6.954 1.00 31.01 H new ATOM 0 HE2 LYS A 23 -5.288 37.536 -8.846 1.00 64.42 H new ATOM 0 HE3 LYS A 23 -6.782 37.514 -9.762 1.00 64.42 H new ATOM 0 HZ1 LYS A 23 -5.439 39.433 -10.322 1.00 41.10 H new ATOM 0 HZ2 LYS A 23 -6.889 39.933 -9.594 1.00 41.10 H new ATOM 0 HZ3 LYS A 23 -5.442 39.955 -8.706 1.00 41.10 H new ATOM 423 N ASN A 24 -10.889 37.079 -5.204 1.00 64.44 N ATOM 424 CA ASN A 24 -12.125 37.813 -4.961 1.00 41.15 C ATOM 425 C ASN A 24 -13.268 36.859 -4.627 1.00 5.25 C ATOM 426 O ASN A 24 -13.625 35.995 -5.427 1.00 40.03 O ATOM 427 CB ASN A 24 -12.491 38.655 -6.185 1.00 40.42 C ATOM 428 CG ASN A 24 -12.558 40.137 -5.868 1.00 62.13 C ATOM 429 OD1 ASN A 24 -13.511 40.821 -6.242 1.00 70.40 O ATOM 430 ND2 ASN A 24 -11.543 40.640 -5.176 1.00 5.11 N ATOM 0 H ASN A 24 -10.994 36.266 -5.811 1.00 64.44 H new ATOM 0 HA ASN A 24 -11.965 38.473 -4.108 1.00 41.15 H new ATOM 0 HB2 ASN A 24 -11.755 38.487 -6.971 1.00 40.42 H new ATOM 0 HB3 ASN A 24 -13.454 38.326 -6.574 1.00 40.42 H new ATOM 0 HD21 ASN A 24 -11.532 41.631 -4.934 1.00 5.11 H new ATOM 0 HD22 ASN A 24 -10.774 40.036 -4.887 1.00 5.11 H new ATOM 437 N LYS A 25 -13.838 37.022 -3.438 1.00 2.44 N ATOM 438 CA LYS A 25 -14.941 36.178 -2.995 1.00 55.35 C ATOM 439 C LYS A 25 -16.278 36.733 -3.479 1.00 22.34 C ATOM 440 O LYS A 25 -17.245 35.991 -3.643 1.00 71.30 O ATOM 441 CB LYS A 25 -14.945 36.066 -1.469 1.00 54.52 C ATOM 442 CG LYS A 25 -16.158 35.338 -0.916 1.00 21.01 C ATOM 443 CD LYS A 25 -16.197 33.891 -1.377 1.00 30.43 C ATOM 444 CE LYS A 25 -16.771 32.979 -0.303 1.00 5.04 C ATOM 445 NZ LYS A 25 -18.192 32.628 -0.574 1.00 12.43 N ATOM 0 H LYS A 25 -13.554 37.732 -2.763 1.00 2.44 H new ATOM 0 HA LYS A 25 -14.802 35.186 -3.424 1.00 55.35 H new ATOM 0 HB2 LYS A 25 -14.042 35.546 -1.149 1.00 54.52 H new ATOM 0 HB3 LYS A 25 -14.905 37.067 -1.039 1.00 54.52 H new ATOM 0 HG2 LYS A 25 -16.140 35.374 0.173 1.00 21.01 H new ATOM 0 HG3 LYS A 25 -17.067 35.848 -1.236 1.00 21.01 H new ATOM 0 HD2 LYS A 25 -16.799 33.813 -2.282 1.00 30.43 H new ATOM 0 HD3 LYS A 25 -15.190 33.563 -1.634 1.00 30.43 H new ATOM 0 HE2 LYS A 25 -16.177 32.067 -0.245 1.00 5.04 H new ATOM 0 HE3 LYS A 25 -16.697 33.470 0.667 1.00 5.04 H new ATOM 0 HZ1 LYS A 25 -18.787 32.955 0.214 1.00 12.43 H new ATOM 0 HZ2 LYS A 25 -18.501 33.086 -1.455 1.00 12.43 H new ATOM 0 HZ3 LYS A 25 -18.282 31.596 -0.670 1.00 12.43 H new ATOM 459 N ASN A 26 -16.323 38.042 -3.705 1.00 71.45 N ATOM 460 CA ASN A 26 -17.541 38.695 -4.171 1.00 31.11 C ATOM 461 C ASN A 26 -17.938 38.185 -5.553 1.00 20.31 C ATOM 462 O ASN A 26 -19.118 37.977 -5.834 1.00 74.05 O ATOM 463 CB ASN A 26 -17.347 40.212 -4.211 1.00 54.03 C ATOM 464 CG ASN A 26 -16.978 40.784 -2.856 1.00 52.02 C ATOM 465 OD1 ASN A 26 -15.920 41.391 -2.694 1.00 3.41 O ATOM 466 ND2 ASN A 26 -17.852 40.592 -1.875 1.00 20.50 N ATOM 0 H ASN A 26 -15.531 38.671 -3.573 1.00 71.45 H new ATOM 0 HA ASN A 26 -18.342 38.456 -3.472 1.00 31.11 H new ATOM 0 HB2 ASN A 26 -16.566 40.457 -4.931 1.00 54.03 H new ATOM 0 HB3 ASN A 26 -18.264 40.684 -4.564 1.00 54.03 H new ATOM 0 HD21 ASN A 26 -17.658 40.954 -0.941 1.00 20.50 H new ATOM 0 HD22 ASN A 26 -18.717 40.082 -2.055 1.00 20.50 H new ATOM 473 N PHE A 27 -16.944 37.984 -6.412 1.00 3.14 N ATOM 474 CA PHE A 27 -17.188 37.498 -7.765 1.00 14.54 C ATOM 475 C PHE A 27 -17.850 36.124 -7.738 1.00 33.13 C ATOM 476 O PHE A 27 -18.809 35.869 -8.467 1.00 12.13 O ATOM 477 CB PHE A 27 -15.877 37.430 -8.550 1.00 2.13 C ATOM 478 CG PHE A 27 -15.766 36.216 -9.426 1.00 64.34 C ATOM 479 CD1 PHE A 27 -16.521 36.108 -10.583 1.00 42.52 C ATOM 480 CD2 PHE A 27 -14.905 35.181 -9.094 1.00 54.51 C ATOM 481 CE1 PHE A 27 -16.421 34.992 -11.391 1.00 62.31 C ATOM 482 CE2 PHE A 27 -14.801 34.062 -9.899 1.00 1.35 C ATOM 483 CZ PHE A 27 -15.559 33.968 -11.049 1.00 61.11 C ATOM 0 H PHE A 27 -15.961 38.150 -6.195 1.00 3.14 H new ATOM 0 HA PHE A 27 -17.863 38.197 -8.259 1.00 14.54 H new ATOM 0 HB2 PHE A 27 -15.786 38.324 -9.168 1.00 2.13 H new ATOM 0 HB3 PHE A 27 -15.042 37.440 -7.849 1.00 2.13 H new ATOM 0 HD1 PHE A 27 -17.196 36.906 -10.856 1.00 42.52 H new ATOM 0 HD2 PHE A 27 -14.309 35.250 -8.196 1.00 54.51 H new ATOM 0 HE1 PHE A 27 -17.016 34.920 -12.289 1.00 62.31 H new ATOM 0 HE2 PHE A 27 -14.128 33.262 -9.629 1.00 1.35 H new ATOM 0 HZ PHE A 27 -15.478 33.095 -11.680 1.00 61.11 H new ATOM 493 N LYS A 28 -17.331 35.240 -6.892 1.00 11.40 N ATOM 494 CA LYS A 28 -17.870 33.891 -6.768 1.00 11.34 C ATOM 495 C LYS A 28 -19.317 33.926 -6.286 1.00 21.21 C ATOM 496 O LYS A 28 -20.220 33.433 -6.963 1.00 24.13 O ATOM 497 CB LYS A 28 -17.019 33.067 -5.799 1.00 45.04 C ATOM 498 CG LYS A 28 -15.537 33.073 -6.136 1.00 34.04 C ATOM 499 CD LYS A 28 -15.232 32.179 -7.326 1.00 52.42 C ATOM 500 CE LYS A 28 -15.377 30.708 -6.970 1.00 65.20 C ATOM 501 NZ LYS A 28 -16.066 29.942 -8.045 1.00 14.01 N ATOM 0 H LYS A 28 -16.537 35.434 -6.282 1.00 11.40 H new ATOM 0 HA LYS A 28 -17.844 33.424 -7.753 1.00 11.34 H new ATOM 0 HB2 LYS A 28 -17.155 33.454 -4.789 1.00 45.04 H new ATOM 0 HB3 LYS A 28 -17.379 32.038 -5.797 1.00 45.04 H new ATOM 0 HG2 LYS A 28 -15.217 34.092 -6.354 1.00 34.04 H new ATOM 0 HG3 LYS A 28 -14.965 32.737 -5.271 1.00 34.04 H new ATOM 0 HD2 LYS A 28 -15.905 32.423 -8.148 1.00 52.42 H new ATOM 0 HD3 LYS A 28 -14.218 32.371 -7.676 1.00 52.42 H new ATOM 0 HE2 LYS A 28 -14.391 30.278 -6.793 1.00 65.20 H new ATOM 0 HE3 LYS A 28 -15.938 30.613 -6.040 1.00 65.20 H new ATOM 0 HZ1 LYS A 28 -16.145 28.944 -7.764 1.00 14.01 H new ATOM 0 HZ2 LYS A 28 -17.017 30.335 -8.197 1.00 14.01 H new ATOM 0 HZ3 LYS A 28 -15.518 30.011 -8.926 1.00 14.01 H new ATOM 515 N LYS A 29 -19.531 34.512 -5.113 1.00 14.10 N ATOM 516 CA LYS A 29 -20.869 34.614 -4.541 1.00 42.02 C ATOM 517 C LYS A 29 -21.818 35.323 -5.501 1.00 54.52 C ATOM 518 O LYS A 29 -22.974 34.928 -5.651 1.00 60.03 O ATOM 519 CB LYS A 29 -20.820 35.364 -3.208 1.00 70.00 C ATOM 520 CG LYS A 29 -21.713 34.761 -2.138 1.00 33.22 C ATOM 521 CD LYS A 29 -20.936 34.461 -0.867 1.00 32.20 C ATOM 522 CE LYS A 29 -21.829 34.532 0.362 1.00 32.22 C ATOM 523 NZ LYS A 29 -21.192 33.895 1.548 1.00 12.22 N ATOM 0 H LYS A 29 -18.795 34.924 -4.539 1.00 14.10 H new ATOM 0 HA LYS A 29 -21.242 33.604 -4.369 1.00 42.02 H new ATOM 0 HB2 LYS A 29 -19.792 35.378 -2.846 1.00 70.00 H new ATOM 0 HB3 LYS A 29 -21.114 36.401 -3.373 1.00 70.00 H new ATOM 0 HG2 LYS A 29 -22.528 35.449 -1.913 1.00 33.22 H new ATOM 0 HG3 LYS A 29 -22.165 33.843 -2.515 1.00 33.22 H new ATOM 0 HD2 LYS A 29 -20.490 33.469 -0.937 1.00 32.20 H new ATOM 0 HD3 LYS A 29 -20.116 35.172 -0.764 1.00 32.20 H new ATOM 0 HE2 LYS A 29 -22.055 35.574 0.587 1.00 32.22 H new ATOM 0 HE3 LYS A 29 -22.778 34.039 0.151 1.00 32.22 H new ATOM 0 HZ1 LYS A 29 -21.832 33.964 2.365 1.00 12.22 H new ATOM 0 HZ2 LYS A 29 -20.999 32.894 1.343 1.00 12.22 H new ATOM 0 HZ3 LYS A 29 -20.299 34.382 1.766 1.00 12.22 H new ATOM 537 N ALA A 30 -21.323 36.372 -6.150 1.00 4.34 N ATOM 538 CA ALA A 30 -22.126 37.134 -7.098 1.00 11.04 C ATOM 539 C ALA A 30 -22.667 36.236 -8.205 1.00 34.24 C ATOM 540 O ALA A 30 -23.880 36.123 -8.389 1.00 70.32 O ATOM 541 CB ALA A 30 -21.306 38.270 -7.691 1.00 14.43 C ATOM 0 H ALA A 30 -20.369 36.714 -6.036 1.00 4.34 H new ATOM 0 HA ALA A 30 -22.975 37.556 -6.560 1.00 11.04 H new ATOM 0 HB1 ALA A 30 -21.918 38.831 -8.397 1.00 14.43 H new ATOM 0 HB2 ALA A 30 -20.973 38.934 -6.893 1.00 14.43 H new ATOM 0 HB3 ALA A 30 -20.438 37.861 -8.208 1.00 14.43 H new ATOM 547 N LEU A 31 -21.762 35.599 -8.939 1.00 40.43 N ATOM 548 CA LEU A 31 -22.149 34.711 -10.030 1.00 22.23 C ATOM 549 C LEU A 31 -23.091 33.618 -9.534 1.00 1.42 C ATOM 550 O LEU A 31 -24.219 33.492 -10.011 1.00 1.31 O ATOM 551 CB LEU A 31 -20.908 34.081 -10.665 1.00 32.41 C ATOM 552 CG LEU A 31 -21.164 33.114 -11.822 1.00 21.13 C ATOM 553 CD1 LEU A 31 -21.709 33.860 -13.030 1.00 23.40 C ATOM 554 CD2 LEU A 31 -19.889 32.367 -12.184 1.00 63.32 C ATOM 0 H LEU A 31 -20.755 35.681 -8.799 1.00 40.43 H new ATOM 0 HA LEU A 31 -22.673 35.304 -10.780 1.00 22.23 H new ATOM 0 HB2 LEU A 31 -20.261 34.882 -11.023 1.00 32.41 H new ATOM 0 HB3 LEU A 31 -20.357 33.550 -9.889 1.00 32.41 H new ATOM 0 HG LEU A 31 -21.910 32.386 -11.504 1.00 21.13 H new ATOM 0 HD11 LEU A 31 -21.885 33.156 -13.843 1.00 23.40 H new ATOM 0 HD12 LEU A 31 -22.646 34.348 -12.764 1.00 23.40 H new ATOM 0 HD13 LEU A 31 -20.987 34.611 -13.350 1.00 23.40 H new ATOM 0 HD21 LEU A 31 -20.090 31.683 -13.009 1.00 63.32 H new ATOM 0 HD22 LEU A 31 -19.121 33.081 -12.483 1.00 63.32 H new ATOM 0 HD23 LEU A 31 -19.541 31.801 -11.320 1.00 63.32 H new ATOM 566 N LYS A 32 -22.621 32.831 -8.572 1.00 14.43 N ATOM 567 CA LYS A 32 -23.422 31.751 -8.007 1.00 41.43 C ATOM 568 C LYS A 32 -24.807 32.251 -7.611 1.00 15.02 C ATOM 569 O LYS A 32 -25.818 31.620 -7.921 1.00 31.11 O ATOM 570 CB LYS A 32 -22.717 31.150 -6.789 1.00 74.53 C ATOM 571 CG LYS A 32 -21.940 29.882 -7.101 1.00 1.50 C ATOM 572 CD LYS A 32 -21.865 28.963 -5.894 1.00 34.23 C ATOM 573 CE LYS A 32 -21.941 27.500 -6.302 1.00 73.41 C ATOM 574 NZ LYS A 32 -23.004 26.770 -5.557 1.00 11.13 N ATOM 0 H LYS A 32 -21.689 32.921 -8.167 1.00 14.43 H new ATOM 0 HA LYS A 32 -23.538 30.980 -8.769 1.00 41.43 H new ATOM 0 HB2 LYS A 32 -22.035 31.891 -6.372 1.00 74.53 H new ATOM 0 HB3 LYS A 32 -23.459 30.932 -6.021 1.00 74.53 H new ATOM 0 HG2 LYS A 32 -22.415 29.357 -7.930 1.00 1.50 H new ATOM 0 HG3 LYS A 32 -20.932 30.142 -7.425 1.00 1.50 H new ATOM 0 HD2 LYS A 32 -20.935 29.144 -5.355 1.00 34.23 H new ATOM 0 HD3 LYS A 32 -22.681 29.194 -5.209 1.00 34.23 H new ATOM 0 HE2 LYS A 32 -22.135 27.431 -7.372 1.00 73.41 H new ATOM 0 HE3 LYS A 32 -20.978 27.022 -6.122 1.00 73.41 H new ATOM 0 HZ1 LYS A 32 -23.023 25.777 -5.864 1.00 11.13 H new ATOM 0 HZ2 LYS A 32 -22.805 26.813 -4.537 1.00 11.13 H new ATOM 0 HZ3 LYS A 32 -23.927 27.210 -5.749 1.00 11.13 H new ATOM 588 N PHE A 33 -24.847 33.389 -6.925 1.00 34.51 N ATOM 589 CA PHE A 33 -26.110 33.973 -6.487 1.00 5.13 C ATOM 590 C PHE A 33 -27.010 34.279 -7.680 1.00 35.14 C ATOM 591 O PHE A 33 -28.120 33.758 -7.783 1.00 14.43 O ATOM 592 CB PHE A 33 -25.853 35.251 -5.686 1.00 10.41 C ATOM 593 CG PHE A 33 -27.110 35.963 -5.274 1.00 20.12 C ATOM 594 CD1 PHE A 33 -28.173 35.260 -4.731 1.00 33.14 C ATOM 595 CD2 PHE A 33 -27.228 37.335 -5.429 1.00 30.40 C ATOM 596 CE1 PHE A 33 -29.331 35.912 -4.351 1.00 53.24 C ATOM 597 CE2 PHE A 33 -28.383 37.992 -5.051 1.00 55.51 C ATOM 598 CZ PHE A 33 -29.436 37.280 -4.511 1.00 10.24 C ATOM 0 H PHE A 33 -24.020 33.925 -6.661 1.00 34.51 H new ATOM 0 HA PHE A 33 -26.616 33.248 -5.850 1.00 5.13 H new ATOM 0 HB2 PHE A 33 -25.277 35.002 -4.795 1.00 10.41 H new ATOM 0 HB3 PHE A 33 -25.241 35.927 -6.283 1.00 10.41 H new ATOM 0 HD1 PHE A 33 -28.096 34.190 -4.603 1.00 33.14 H new ATOM 0 HD2 PHE A 33 -26.408 37.897 -5.850 1.00 30.40 H new ATOM 0 HE1 PHE A 33 -30.153 35.352 -3.929 1.00 53.24 H new ATOM 0 HE2 PHE A 33 -28.462 39.062 -5.178 1.00 55.51 H new ATOM 0 HZ PHE A 33 -30.340 37.792 -4.214 1.00 10.24 H new ATOM 608 N GLY A 34 -26.524 35.128 -8.579 1.00 45.42 N ATOM 609 CA GLY A 34 -27.297 35.490 -9.753 1.00 1.24 C ATOM 610 C GLY A 34 -27.764 34.279 -10.535 1.00 73.01 C ATOM 611 O GLY A 34 -28.894 34.244 -11.024 1.00 65.13 O ATOM 0 H GLY A 34 -25.608 35.572 -8.516 1.00 45.42 H new ATOM 0 HA2 GLY A 34 -28.163 36.077 -9.447 1.00 1.24 H new ATOM 0 HA3 GLY A 34 -26.693 36.126 -10.400 1.00 1.24 H new ATOM 615 N LYS A 35 -26.894 33.283 -10.656 1.00 25.42 N ATOM 616 CA LYS A 35 -27.222 32.063 -11.385 1.00 3.23 C ATOM 617 C LYS A 35 -28.407 31.348 -10.744 1.00 2.34 C ATOM 618 O LYS A 35 -29.420 31.100 -11.397 1.00 22.22 O ATOM 619 CB LYS A 35 -26.011 31.128 -11.427 1.00 42.42 C ATOM 620 CG LYS A 35 -26.026 30.166 -12.602 1.00 51.12 C ATOM 621 CD LYS A 35 -26.072 28.720 -12.138 1.00 74.11 C ATOM 622 CE LYS A 35 -26.023 27.756 -13.313 1.00 71.43 C ATOM 623 NZ LYS A 35 -25.648 26.379 -12.886 1.00 52.21 N ATOM 0 H LYS A 35 -25.955 33.296 -10.258 1.00 25.42 H new ATOM 0 HA LYS A 35 -27.495 32.340 -12.403 1.00 3.23 H new ATOM 0 HB2 LYS A 35 -25.101 31.727 -11.470 1.00 42.42 H new ATOM 0 HB3 LYS A 35 -25.972 30.556 -10.500 1.00 42.42 H new ATOM 0 HG2 LYS A 35 -26.890 30.374 -13.233 1.00 51.12 H new ATOM 0 HG3 LYS A 35 -25.138 30.324 -13.215 1.00 51.12 H new ATOM 0 HD2 LYS A 35 -25.233 28.524 -11.470 1.00 74.11 H new ATOM 0 HD3 LYS A 35 -26.983 28.550 -11.564 1.00 74.11 H new ATOM 0 HE2 LYS A 35 -26.996 27.732 -13.804 1.00 71.43 H new ATOM 0 HE3 LYS A 35 -25.304 28.116 -14.049 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 -25.626 25.752 -13.716 1.00 52.21 H new ATOM 0 HZ2 LYS A 35 -24.708 26.397 -12.441 1.00 52.21 H new ATOM 0 HZ3 LYS A 35 -26.348 26.025 -12.203 1.00 52.21 H new ATOM 637 N GLN A 36 -28.273 31.022 -9.462 1.00 43.12 N ATOM 638 CA GLN A 36 -29.334 30.337 -8.734 1.00 23.42 C ATOM 639 C GLN A 36 -30.622 31.153 -8.751 1.00 44.44 C ATOM 640 O GLN A 36 -31.721 30.599 -8.728 1.00 73.15 O ATOM 641 CB GLN A 36 -28.902 30.074 -7.290 1.00 74.50 C ATOM 642 CG GLN A 36 -29.162 28.649 -6.827 1.00 74.04 C ATOM 643 CD GLN A 36 -30.499 28.497 -6.128 1.00 42.20 C ATOM 644 OE1 GLN A 36 -31.055 29.466 -5.609 1.00 63.14 O ATOM 645 NE2 GLN A 36 -31.023 27.277 -6.110 1.00 43.21 N ATOM 0 H GLN A 36 -27.441 31.221 -8.907 1.00 43.12 H new ATOM 0 HA GLN A 36 -29.523 29.385 -9.229 1.00 23.42 H new ATOM 0 HB2 GLN A 36 -27.838 30.290 -7.193 1.00 74.50 H new ATOM 0 HB3 GLN A 36 -29.429 30.763 -6.631 1.00 74.50 H new ATOM 0 HG2 GLN A 36 -29.128 27.980 -7.687 1.00 74.04 H new ATOM 0 HG3 GLN A 36 -28.365 28.340 -6.150 1.00 74.04 H new ATOM 0 HE21 GLN A 36 -30.528 26.503 -6.553 1.00 43.21 H new ATOM 0 HE22 GLN A 36 -31.921 27.114 -5.654 1.00 43.21 H new ATOM 654 N LEU A 37 -30.478 32.473 -8.792 1.00 15.41 N ATOM 655 CA LEU A 37 -31.631 33.368 -8.812 1.00 61.33 C ATOM 656 C LEU A 37 -32.353 33.295 -10.154 1.00 2.10 C ATOM 657 O LEU A 37 -33.549 33.014 -10.212 1.00 34.42 O ATOM 658 CB LEU A 37 -31.190 34.806 -8.534 1.00 72.14 C ATOM 659 CG LEU A 37 -32.249 35.727 -7.928 1.00 12.04 C ATOM 660 CD1 LEU A 37 -31.772 36.283 -6.595 1.00 13.40 C ATOM 661 CD2 LEU A 37 -32.587 36.857 -8.889 1.00 53.01 C ATOM 0 H LEU A 37 -29.575 32.947 -8.812 1.00 15.41 H new ATOM 0 HA LEU A 37 -32.321 33.049 -8.031 1.00 61.33 H new ATOM 0 HB2 LEU A 37 -30.333 34.778 -7.861 1.00 72.14 H new ATOM 0 HB3 LEU A 37 -30.846 35.247 -9.470 1.00 72.14 H new ATOM 0 HG LEU A 37 -33.153 35.144 -7.753 1.00 12.04 H new ATOM 0 HD11 LEU A 37 -32.538 36.936 -6.178 1.00 13.40 H new ATOM 0 HD12 LEU A 37 -31.582 35.461 -5.905 1.00 13.40 H new ATOM 0 HD13 LEU A 37 -30.854 36.851 -6.745 1.00 13.40 H new ATOM 0 HD21 LEU A 37 -33.342 37.502 -8.441 1.00 53.01 H new ATOM 0 HD22 LEU A 37 -31.689 37.439 -9.096 1.00 53.01 H new ATOM 0 HD23 LEU A 37 -32.972 36.440 -9.820 1.00 53.01 H new ATOM 673 N ALA A 38 -31.616 33.549 -11.231 1.00 14.02 N ATOM 674 CA ALA A 38 -32.185 33.508 -12.572 1.00 52.32 C ATOM 675 C ALA A 38 -32.681 32.108 -12.916 1.00 21.20 C ATOM 676 O ALA A 38 -33.571 31.940 -13.750 1.00 13.14 O ATOM 677 CB ALA A 38 -31.159 33.973 -13.595 1.00 21.11 C ATOM 0 H ALA A 38 -30.624 33.785 -11.200 1.00 14.02 H new ATOM 0 HA ALA A 38 -33.040 34.184 -12.598 1.00 52.32 H new ATOM 0 HB1 ALA A 38 -31.598 33.937 -14.592 1.00 21.11 H new ATOM 0 HB2 ALA A 38 -30.856 34.995 -13.368 1.00 21.11 H new ATOM 0 HB3 ALA A 38 -30.287 33.320 -13.558 1.00 21.11 H new ATOM 683 N LYS A 39 -32.099 31.104 -12.269 1.00 64.22 N ATOM 684 CA LYS A 39 -32.481 29.717 -12.505 1.00 61.34 C ATOM 685 C LYS A 39 -33.982 29.526 -12.312 1.00 62.52 C ATOM 686 O LYS A 39 -34.586 28.638 -12.912 1.00 71.05 O ATOM 687 CB LYS A 39 -31.712 28.787 -11.564 1.00 32.21 C ATOM 688 CG LYS A 39 -30.869 27.750 -12.287 1.00 14.51 C ATOM 689 CD LYS A 39 -31.682 26.514 -12.633 1.00 40.24 C ATOM 690 CE LYS A 39 -31.292 25.953 -13.992 1.00 44.54 C ATOM 691 NZ LYS A 39 -32.162 26.479 -15.080 1.00 75.11 N ATOM 0 H LYS A 39 -31.360 31.225 -11.576 1.00 64.22 H new ATOM 0 HA LYS A 39 -32.230 29.468 -13.536 1.00 61.34 H new ATOM 0 HB2 LYS A 39 -31.065 29.386 -10.923 1.00 32.21 H new ATOM 0 HB3 LYS A 39 -32.421 28.276 -10.912 1.00 32.21 H new ATOM 0 HG2 LYS A 39 -30.459 28.184 -13.199 1.00 14.51 H new ATOM 0 HG3 LYS A 39 -30.023 27.467 -11.661 1.00 14.51 H new ATOM 0 HD2 LYS A 39 -31.532 25.753 -11.867 1.00 40.24 H new ATOM 0 HD3 LYS A 39 -32.743 26.763 -12.632 1.00 40.24 H new ATOM 0 HE2 LYS A 39 -30.253 26.205 -14.204 1.00 44.54 H new ATOM 0 HE3 LYS A 39 -31.358 24.865 -13.968 1.00 44.54 H new ATOM 0 HZ1 LYS A 39 -31.864 26.073 -15.990 1.00 75.11 H new ATOM 0 HZ2 LYS A 39 -33.151 26.217 -14.891 1.00 75.11 H new ATOM 0 HZ3 LYS A 39 -32.080 27.515 -15.120 1.00 75.11 H new ATOM 705 N ASN A 40 -34.577 30.365 -11.471 1.00 53.24 N ATOM 706 CA ASN A 40 -36.008 30.289 -11.200 1.00 72.32 C ATOM 707 C ASN A 40 -36.817 30.609 -12.453 1.00 53.14 C ATOM 708 O ASN A 40 -37.913 30.081 -12.651 1.00 4.15 O ATOM 709 CB ASN A 40 -36.387 31.253 -10.074 1.00 74.14 C ATOM 710 CG ASN A 40 -36.291 30.609 -8.705 1.00 2.23 C ATOM 711 OD1 ASN A 40 -37.304 30.345 -8.058 1.00 74.51 O ATOM 712 ND2 ASN A 40 -35.067 30.354 -8.256 1.00 12.41 N ATOM 0 H ASN A 40 -34.091 31.105 -10.965 1.00 53.24 H new ATOM 0 HA ASN A 40 -36.240 29.270 -10.890 1.00 72.32 H new ATOM 0 HB2 ASN A 40 -35.733 32.124 -10.109 1.00 74.14 H new ATOM 0 HB3 ASN A 40 -37.404 31.612 -10.233 1.00 74.14 H new ATOM 0 HD21 ASN A 40 -34.939 29.922 -7.341 1.00 12.41 H new ATOM 0 HD22 ASN A 40 -34.255 30.590 -8.827 1.00 12.41 H new ATOM 719 N LEU A 41 -36.271 31.477 -13.298 1.00 23.41 N ATOM 720 CA LEU A 41 -36.941 31.868 -14.533 1.00 63.34 C ATOM 721 C LEU A 41 -36.892 30.740 -15.560 1.00 12.25 C ATOM 722 O LEU A 41 -37.583 30.783 -16.577 1.00 42.44 O ATOM 723 CB LEU A 41 -36.293 33.127 -15.111 1.00 41.05 C ATOM 724 CG LEU A 41 -36.957 34.454 -14.742 1.00 74.31 C ATOM 725 CD1 LEU A 41 -35.907 35.522 -14.479 1.00 72.24 C ATOM 726 CD2 LEU A 41 -37.909 34.898 -15.843 1.00 50.32 C ATOM 0 H LEU A 41 -35.366 31.923 -13.150 1.00 23.41 H new ATOM 0 HA LEU A 41 -37.985 32.078 -14.300 1.00 63.34 H new ATOM 0 HB2 LEU A 41 -35.254 33.160 -14.783 1.00 41.05 H new ATOM 0 HB3 LEU A 41 -36.281 33.039 -16.197 1.00 41.05 H new ATOM 0 HG LEU A 41 -37.533 34.308 -13.828 1.00 74.31 H new ATOM 0 HD11 LEU A 41 -36.399 36.459 -14.218 1.00 72.24 H new ATOM 0 HD12 LEU A 41 -35.266 35.207 -13.656 1.00 72.24 H new ATOM 0 HD13 LEU A 41 -35.303 35.667 -15.375 1.00 72.24 H new ATOM 0 HD21 LEU A 41 -38.373 35.844 -15.563 1.00 50.32 H new ATOM 0 HD22 LEU A 41 -37.355 35.026 -16.773 1.00 50.32 H new ATOM 0 HD23 LEU A 41 -38.682 34.142 -15.982 1.00 50.32 H new TER 738 LEU A 41