USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=8 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 15 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -150:sc= -0.176 (180deg=-0.846) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -70:sc= 1.04 USER MOD Single : A 10 THR OG1 : rot -66:sc= 0.0725 USER MOD Single : A 12 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.52!) 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+ 169:sc= 0 (180deg=-0.0304) USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= -0.135 (180deg=-1.23!) 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= -0.237 K(o=-0.24,f=-0.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.3!) 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 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.171 -1.515 -3.866 1.00 54.34 N ATOM 2 CA LYS A 1 -2.047 -0.681 -3.458 1.00 13.13 C ATOM 3 C LYS A 1 -2.446 0.791 -3.423 1.00 30.01 C ATOM 4 O LYS A 1 -2.423 1.475 -4.446 1.00 53.03 O ATOM 5 CB LYS A 1 -0.866 -0.878 -4.411 1.00 55.11 C ATOM 6 CG LYS A 1 0.391 -1.384 -3.726 1.00 32.33 C ATOM 7 CD LYS A 1 1.606 -0.555 -4.106 1.00 12.34 C ATOM 8 CE LYS A 1 2.252 -1.066 -5.384 1.00 25.23 C ATOM 9 NZ LYS A 1 3.723 -0.829 -5.395 1.00 34.33 N ATOM 0 H1 LYS A 1 -2.876 -2.512 -3.882 1.00 54.34 H new ATOM 0 H2 LYS A 1 -3.954 -1.397 -3.191 1.00 54.34 H new ATOM 0 H3 LYS A 1 -3.487 -1.232 -4.816 1.00 54.34 H new ATOM 0 HA LYS A 1 -1.749 -0.983 -2.454 1.00 13.13 H new ATOM 0 HB2 LYS A 1 -1.153 -1.583 -5.191 1.00 55.11 H new ATOM 0 HB3 LYS A 1 -0.645 0.069 -4.903 1.00 55.11 H new ATOM 0 HG2 LYS A 1 0.254 -1.356 -2.645 1.00 32.33 H new ATOM 0 HG3 LYS A 1 0.561 -2.426 -3.998 1.00 32.33 H new ATOM 0 HD2 LYS A 1 1.311 0.486 -4.237 1.00 12.34 H new ATOM 0 HD3 LYS A 1 2.333 -0.580 -3.294 1.00 12.34 H new ATOM 0 HE2 LYS A 1 2.055 -2.133 -5.489 1.00 25.23 H new ATOM 0 HE3 LYS A 1 1.798 -0.572 -6.243 1.00 25.23 H new ATOM 0 HZ1 LYS A 1 4.126 -1.191 -6.282 1.00 34.33 H new ATOM 0 HZ2 LYS A 1 3.911 0.191 -5.320 1.00 34.33 H new ATOM 0 HZ3 LYS A 1 4.160 -1.321 -4.590 1.00 34.33 H new ATOM 23 N PHE A 2 -2.810 1.273 -2.239 1.00 63.10 N ATOM 24 CA PHE A 2 -3.213 2.664 -2.071 1.00 41.21 C ATOM 25 C PHE A 2 -2.052 3.607 -2.374 1.00 51.22 C ATOM 26 O PHE A 2 -0.947 3.436 -1.860 1.00 22.14 O ATOM 27 CB PHE A 2 -3.720 2.902 -0.647 1.00 44.21 C ATOM 28 CG PHE A 2 -4.718 4.019 -0.545 1.00 12.40 C ATOM 29 CD1 PHE A 2 -6.069 3.779 -0.742 1.00 4.52 C ATOM 30 CD2 PHE A 2 -4.307 5.310 -0.253 1.00 25.22 C ATOM 31 CE1 PHE A 2 -6.990 4.805 -0.648 1.00 53.22 C ATOM 32 CE2 PHE A 2 -5.224 6.339 -0.158 1.00 4.34 C ATOM 33 CZ PHE A 2 -6.567 6.087 -0.357 1.00 1.13 C ATOM 0 H PHE A 2 -2.834 0.721 -1.382 1.00 63.10 H new ATOM 0 HA PHE A 2 -4.019 2.870 -2.775 1.00 41.21 H new ATOM 0 HB2 PHE A 2 -4.174 1.984 -0.274 1.00 44.21 H new ATOM 0 HB3 PHE A 2 -2.871 3.124 0.000 1.00 44.21 H new ATOM 0 HD1 PHE A 2 -6.406 2.779 -0.972 1.00 4.52 H new ATOM 0 HD2 PHE A 2 -3.258 5.514 -0.098 1.00 25.22 H new ATOM 0 HE1 PHE A 2 -8.040 4.604 -0.802 1.00 53.22 H new ATOM 0 HE2 PHE A 2 -4.891 7.340 0.072 1.00 4.34 H new ATOM 0 HZ PHE A 2 -7.285 6.891 -0.285 1.00 1.13 H new ATOM 43 N LYS A 3 -2.311 4.604 -3.214 1.00 32.30 N ATOM 44 CA LYS A 3 -1.290 5.576 -3.587 1.00 34.32 C ATOM 45 C LYS A 3 -1.452 6.867 -2.791 1.00 23.23 C ATOM 46 O LYS A 3 -2.371 7.648 -3.037 1.00 21.31 O ATOM 47 CB LYS A 3 -1.366 5.875 -5.086 1.00 5.53 C ATOM 48 CG LYS A 3 -1.117 4.660 -5.962 1.00 41.22 C ATOM 49 CD LYS A 3 0.229 4.022 -5.662 1.00 43.55 C ATOM 50 CE LYS A 3 1.066 3.869 -6.923 1.00 44.11 C ATOM 51 NZ LYS A 3 1.550 5.183 -7.431 1.00 23.22 N ATOM 0 H LYS A 3 -3.220 4.760 -3.649 1.00 32.30 H new ATOM 0 HA LYS A 3 -0.314 5.148 -3.357 1.00 34.32 H new ATOM 0 HB2 LYS A 3 -2.350 6.283 -5.317 1.00 5.53 H new ATOM 0 HB3 LYS A 3 -0.635 6.646 -5.332 1.00 5.53 H new ATOM 0 HG2 LYS A 3 -1.910 3.929 -5.805 1.00 41.22 H new ATOM 0 HG3 LYS A 3 -1.156 4.953 -7.011 1.00 41.22 H new ATOM 0 HD2 LYS A 3 0.769 4.632 -4.937 1.00 43.55 H new ATOM 0 HD3 LYS A 3 0.076 3.044 -5.205 1.00 43.55 H new ATOM 0 HE2 LYS A 3 1.919 3.223 -6.716 1.00 44.11 H new ATOM 0 HE3 LYS A 3 0.474 3.377 -7.695 1.00 44.11 H new ATOM 0 HZ1 LYS A 3 2.116 5.036 -8.291 1.00 23.22 H new ATOM 0 HZ2 LYS A 3 0.736 5.791 -7.653 1.00 23.22 H new ATOM 0 HZ3 LYS A 3 2.137 5.641 -6.705 1.00 23.22 H new ATOM 65 N TRP A 4 -0.553 7.085 -1.838 1.00 63.10 N ATOM 66 CA TRP A 4 -0.595 8.283 -1.007 1.00 72.20 C ATOM 67 C TRP A 4 -0.424 9.539 -1.854 1.00 10.12 C ATOM 68 O TRP A 4 -1.103 10.542 -1.638 1.00 74.22 O ATOM 69 CB TRP A 4 0.494 8.223 0.066 1.00 53.45 C ATOM 70 CG TRP A 4 0.072 7.485 1.300 1.00 61.13 C ATOM 71 CD1 TRP A 4 0.664 6.376 1.833 1.00 32.42 C ATOM 72 CD2 TRP A 4 -1.033 7.802 2.153 1.00 72.04 C ATOM 73 NE1 TRP A 4 -0.007 5.984 2.967 1.00 53.14 N ATOM 74 CE2 TRP A 4 -1.052 6.843 3.184 1.00 3.24 C ATOM 75 CE3 TRP A 4 -2.008 8.803 2.146 1.00 2.54 C ATOM 76 CZ2 TRP A 4 -2.007 6.858 4.197 1.00 54.02 C ATOM 77 CZ3 TRP A 4 -2.956 8.817 3.152 1.00 63.42 C ATOM 78 CH2 TRP A 4 -2.950 7.850 4.166 1.00 23.20 C ATOM 0 H TRP A 4 0.214 6.448 -1.621 1.00 63.10 H new ATOM 0 HA TRP A 4 -1.570 8.325 -0.522 1.00 72.20 H new ATOM 0 HB2 TRP A 4 1.379 7.743 -0.351 1.00 53.45 H new ATOM 0 HB3 TRP A 4 0.781 9.238 0.339 1.00 53.45 H new ATOM 0 HD1 TRP A 4 1.532 5.880 1.424 1.00 32.42 H new ATOM 0 HE1 TRP A 4 0.234 5.184 3.552 1.00 53.14 H new ATOM 0 HE3 TRP A 4 -2.021 9.552 1.368 1.00 2.54 H new ATOM 0 HZ2 TRP A 4 -2.004 6.114 4.979 1.00 54.02 H new ATOM 0 HZ3 TRP A 4 -3.714 9.586 3.156 1.00 63.42 H new ATOM 0 HH2 TRP A 4 -3.704 7.888 4.938 1.00 23.20 H new ATOM 89 N GLY A 5 0.489 9.478 -2.819 1.00 34.41 N ATOM 90 CA GLY A 5 0.732 10.617 -3.684 1.00 11.55 C ATOM 91 C GLY A 5 -0.513 11.056 -4.429 1.00 62.54 C ATOM 92 O GLY A 5 -0.818 12.246 -4.499 1.00 2.42 O ATOM 0 H GLY A 5 1.065 8.660 -3.017 1.00 34.41 H new ATOM 0 HA2 GLY A 5 1.107 11.449 -3.087 1.00 11.55 H new ATOM 0 HA3 GLY A 5 1.511 10.364 -4.403 1.00 11.55 H new ATOM 96 N LYS A 6 -1.234 10.091 -4.991 1.00 51.30 N ATOM 97 CA LYS A 6 -2.453 10.382 -5.737 1.00 1.34 C ATOM 98 C LYS A 6 -3.408 11.235 -4.907 1.00 45.32 C ATOM 99 O LYS A 6 -3.820 12.315 -5.332 1.00 51.32 O ATOM 100 CB LYS A 6 -3.144 9.082 -6.152 1.00 31.42 C ATOM 101 CG LYS A 6 -3.378 8.968 -7.648 1.00 53.22 C ATOM 102 CD LYS A 6 -3.201 7.539 -8.134 1.00 1.33 C ATOM 103 CE LYS A 6 -4.522 6.786 -8.145 1.00 54.42 C ATOM 104 NZ LYS A 6 -4.344 5.358 -8.526 1.00 63.11 N ATOM 0 H LYS A 6 -0.995 9.101 -4.944 1.00 51.30 H new ATOM 0 HA LYS A 6 -2.177 10.941 -6.631 1.00 1.34 H new ATOM 0 HB2 LYS A 6 -2.539 8.238 -5.822 1.00 31.42 H new ATOM 0 HB3 LYS A 6 -4.102 9.009 -5.636 1.00 31.42 H new ATOM 0 HG2 LYS A 6 -4.384 9.312 -7.887 1.00 53.22 H new ATOM 0 HG3 LYS A 6 -2.684 9.621 -8.176 1.00 53.22 H new ATOM 0 HD2 LYS A 6 -2.776 7.545 -9.138 1.00 1.33 H new ATOM 0 HD3 LYS A 6 -2.491 7.020 -7.490 1.00 1.33 H new ATOM 0 HE2 LYS A 6 -4.981 6.844 -7.158 1.00 54.42 H new ATOM 0 HE3 LYS A 6 -5.207 7.265 -8.844 1.00 54.42 H new ATOM 0 HZ1 LYS A 6 -5.268 4.880 -8.522 1.00 63.11 H new ATOM 0 HZ2 LYS A 6 -3.930 5.302 -9.478 1.00 63.11 H new ATOM 0 HZ3 LYS A 6 -3.710 4.893 -7.845 1.00 63.11 H new ATOM 118 N LEU A 7 -3.754 10.745 -3.722 1.00 61.01 N ATOM 119 CA LEU A 7 -4.659 11.463 -2.832 1.00 10.42 C ATOM 120 C LEU A 7 -4.091 12.831 -2.465 1.00 23.40 C ATOM 121 O LEU A 7 -4.817 13.824 -2.418 1.00 23.15 O ATOM 122 CB LEU A 7 -4.913 10.647 -1.563 1.00 60.04 C ATOM 123 CG LEU A 7 -6.368 10.561 -1.101 1.00 22.42 C ATOM 124 CD1 LEU A 7 -6.486 9.670 0.126 1.00 21.30 C ATOM 125 CD2 LEU A 7 -6.918 11.949 -0.809 1.00 1.12 C ATOM 0 H LEU A 7 -3.421 9.853 -3.355 1.00 61.01 H new ATOM 0 HA LEU A 7 -5.603 11.611 -3.357 1.00 10.42 H new ATOM 0 HB2 LEU A 7 -4.544 9.634 -1.726 1.00 60.04 H new ATOM 0 HB3 LEU A 7 -4.321 11.076 -0.755 1.00 60.04 H new ATOM 0 HG LEU A 7 -6.959 10.120 -1.904 1.00 22.42 H new ATOM 0 HD11 LEU A 7 -7.528 9.620 0.441 1.00 21.30 H new ATOM 0 HD12 LEU A 7 -6.132 8.668 -0.117 1.00 21.30 H new ATOM 0 HD13 LEU A 7 -5.882 10.082 0.934 1.00 21.30 H new ATOM 0 HD21 LEU A 7 -7.954 11.868 -0.482 1.00 1.12 H new ATOM 0 HD22 LEU A 7 -6.325 12.418 -0.024 1.00 1.12 H new ATOM 0 HD23 LEU A 7 -6.869 12.557 -1.712 1.00 1.12 H new ATOM 137 N PHE A 8 -2.788 12.874 -2.208 1.00 44.43 N ATOM 138 CA PHE A 8 -2.121 14.120 -1.847 1.00 51.10 C ATOM 139 C PHE A 8 -2.225 15.140 -2.977 1.00 42.02 C ATOM 140 O PHE A 8 -2.396 16.335 -2.736 1.00 32.22 O ATOM 141 CB PHE A 8 -0.651 13.859 -1.514 1.00 63.42 C ATOM 142 CG PHE A 8 -0.366 13.829 -0.040 1.00 2.22 C ATOM 143 CD1 PHE A 8 -1.096 13.008 0.804 1.00 64.40 C ATOM 144 CD2 PHE A 8 0.631 14.624 0.502 1.00 25.34 C ATOM 145 CE1 PHE A 8 -0.836 12.978 2.161 1.00 22.23 C ATOM 146 CE2 PHE A 8 0.896 14.598 1.859 1.00 61.13 C ATOM 147 CZ PHE A 8 0.161 13.775 2.689 1.00 32.13 C ATOM 0 H PHE A 8 -2.173 12.061 -2.243 1.00 44.43 H new ATOM 0 HA PHE A 8 -2.619 14.527 -0.967 1.00 51.10 H new ATOM 0 HB2 PHE A 8 -0.351 12.908 -1.953 1.00 63.42 H new ATOM 0 HB3 PHE A 8 -0.039 14.632 -1.979 1.00 63.42 H new ATOM 0 HD1 PHE A 8 -1.878 12.384 0.397 1.00 64.40 H new ATOM 0 HD2 PHE A 8 1.208 15.271 -0.142 1.00 25.34 H new ATOM 0 HE1 PHE A 8 -1.412 12.332 2.808 1.00 22.23 H new ATOM 0 HE2 PHE A 8 1.677 15.221 2.269 1.00 61.13 H new ATOM 0 HZ PHE A 8 0.365 13.754 3.749 1.00 32.13 H new ATOM 157 N SER A 9 -2.119 14.659 -4.212 1.00 0.12 N ATOM 158 CA SER A 9 -2.196 15.528 -5.380 1.00 52.40 C ATOM 159 C SER A 9 -3.612 16.065 -5.565 1.00 75.45 C ATOM 160 O SER A 9 -3.813 17.257 -5.802 1.00 25.42 O ATOM 161 CB SER A 9 -1.757 14.772 -6.635 1.00 62.20 C ATOM 162 OG SER A 9 -2.785 13.915 -7.100 1.00 52.24 O ATOM 0 H SER A 9 -1.980 13.672 -4.429 1.00 0.12 H new ATOM 0 HA SER A 9 -1.524 16.371 -5.219 1.00 52.40 H new ATOM 0 HB2 SER A 9 -1.491 15.483 -7.417 1.00 62.20 H new ATOM 0 HB3 SER A 9 -0.863 14.188 -6.417 1.00 62.20 H new ATOM 0 HG SER A 9 -2.894 13.167 -6.476 1.00 52.24 H new ATOM 168 N THR A 10 -4.594 15.175 -5.457 1.00 34.13 N ATOM 169 CA THR A 10 -5.992 15.556 -5.613 1.00 52.32 C ATOM 170 C THR A 10 -6.396 16.601 -4.579 1.00 73.20 C ATOM 171 O THR A 10 -7.055 17.588 -4.905 1.00 31.14 O ATOM 172 CB THR A 10 -6.925 14.337 -5.486 1.00 41.01 C ATOM 173 OG1 THR A 10 -6.214 13.235 -4.912 1.00 34.55 O ATOM 174 CG2 THR A 10 -7.480 13.936 -6.845 1.00 11.54 C ATOM 0 H THR A 10 -4.446 14.185 -5.262 1.00 34.13 H new ATOM 0 HA THR A 10 -6.094 15.979 -6.612 1.00 52.32 H new ATOM 0 HB THR A 10 -7.758 14.610 -4.838 1.00 41.01 H new ATOM 0 HG1 THR A 10 -5.519 12.935 -5.534 1.00 34.55 H new ATOM 0 HG21 THR A 10 -8.136 13.073 -6.730 1.00 11.54 H new ATOM 0 HG22 THR A 10 -8.045 14.767 -7.267 1.00 11.54 H new ATOM 0 HG23 THR A 10 -6.657 13.680 -7.513 1.00 11.54 H new ATOM 182 N ALA A 11 -5.996 16.377 -3.331 1.00 55.15 N ATOM 183 CA ALA A 11 -6.315 17.301 -2.250 1.00 21.00 C ATOM 184 C ALA A 11 -5.596 18.633 -2.436 1.00 61.21 C ATOM 185 O ALA A 11 -6.203 19.699 -2.330 1.00 32.52 O ATOM 186 CB ALA A 11 -5.952 16.686 -0.906 1.00 44.15 C ATOM 0 H ALA A 11 -5.451 15.564 -3.044 1.00 55.15 H new ATOM 0 HA ALA A 11 -7.388 17.491 -2.272 1.00 21.00 H new ATOM 0 HB1 ALA A 11 -6.196 17.387 -0.108 1.00 44.15 H new ATOM 0 HB2 ALA A 11 -6.515 15.764 -0.764 1.00 44.15 H new ATOM 0 HB3 ALA A 11 -4.885 16.466 -0.883 1.00 44.15 H new ATOM 192 N LYS A 12 -4.298 18.566 -2.714 1.00 33.52 N ATOM 193 CA LYS A 12 -3.495 19.766 -2.916 1.00 33.35 C ATOM 194 C LYS A 12 -4.054 20.609 -4.057 1.00 71.34 C ATOM 195 O LYS A 12 -4.120 21.835 -3.964 1.00 21.44 O ATOM 196 CB LYS A 12 -2.042 19.388 -3.210 1.00 42.21 C ATOM 197 CG LYS A 12 -1.055 20.512 -2.942 1.00 33.42 C ATOM 198 CD LYS A 12 -0.248 20.853 -4.183 1.00 22.11 C ATOM 199 CE LYS A 12 1.200 21.166 -3.837 1.00 52.33 C ATOM 200 NZ LYS A 12 1.306 22.256 -2.827 1.00 74.53 N ATOM 0 H LYS A 12 -3.780 17.692 -2.805 1.00 33.52 H new ATOM 0 HA LYS A 12 -3.532 20.357 -2.001 1.00 33.35 H new ATOM 0 HB2 LYS A 12 -1.770 18.524 -2.603 1.00 42.21 H new ATOM 0 HB3 LYS A 12 -1.958 19.083 -4.253 1.00 42.21 H new ATOM 0 HG2 LYS A 12 -1.593 21.397 -2.602 1.00 33.42 H new ATOM 0 HG3 LYS A 12 -0.380 20.221 -2.137 1.00 33.42 H new ATOM 0 HD2 LYS A 12 -0.284 20.018 -4.883 1.00 22.11 H new ATOM 0 HD3 LYS A 12 -0.696 21.710 -4.686 1.00 22.11 H new ATOM 0 HE2 LYS A 12 1.684 20.268 -3.454 1.00 52.33 H new ATOM 0 HE3 LYS A 12 1.735 21.456 -4.741 1.00 52.33 H new ATOM 0 HZ1 LYS A 12 2.087 22.893 -3.084 1.00 74.53 H new ATOM 0 HZ2 LYS A 12 0.416 22.793 -2.801 1.00 74.53 H new ATOM 0 HZ3 LYS A 12 1.489 21.844 -1.890 1.00 74.53 H new ATOM 214 N LYS A 13 -4.457 19.944 -5.135 1.00 50.11 N ATOM 215 CA LYS A 13 -5.013 20.631 -6.295 1.00 12.03 C ATOM 216 C LYS A 13 -6.344 21.291 -5.949 1.00 53.14 C ATOM 217 O LYS A 13 -6.525 22.492 -6.155 1.00 12.12 O ATOM 218 CB LYS A 13 -5.204 19.648 -7.452 1.00 52.43 C ATOM 219 CG LYS A 13 -4.171 19.800 -8.555 1.00 61.42 C ATOM 220 CD LYS A 13 -3.511 18.472 -8.887 1.00 75.54 C ATOM 221 CE LYS A 13 -4.242 17.752 -10.011 1.00 44.43 C ATOM 222 NZ LYS A 13 -3.667 16.404 -10.273 1.00 24.24 N ATOM 0 H LYS A 13 -4.409 18.930 -5.229 1.00 50.11 H new ATOM 0 HA LYS A 13 -4.311 21.407 -6.598 1.00 12.03 H new ATOM 0 HB2 LYS A 13 -5.162 18.630 -7.064 1.00 52.43 H new ATOM 0 HB3 LYS A 13 -6.199 19.787 -7.875 1.00 52.43 H new ATOM 0 HG2 LYS A 13 -4.648 20.204 -9.448 1.00 61.42 H new ATOM 0 HG3 LYS A 13 -3.411 20.518 -8.247 1.00 61.42 H new ATOM 0 HD2 LYS A 13 -2.474 18.642 -9.176 1.00 75.54 H new ATOM 0 HD3 LYS A 13 -3.495 17.840 -7.999 1.00 75.54 H new ATOM 0 HE2 LYS A 13 -5.296 17.653 -9.753 1.00 44.43 H new ATOM 0 HE3 LYS A 13 -4.191 18.351 -10.920 1.00 44.43 H new ATOM 0 HZ1 LYS A 13 -4.193 15.946 -11.045 1.00 24.24 H new ATOM 0 HZ2 LYS A 13 -2.667 16.500 -10.544 1.00 24.24 H new ATOM 0 HZ3 LYS A 13 -3.739 15.823 -9.413 1.00 24.24 H new ATOM 236 N LEU A 14 -7.273 20.500 -5.423 1.00 64.00 N ATOM 237 CA LEU A 14 -8.587 21.008 -5.047 1.00 54.13 C ATOM 238 C LEU A 14 -8.461 22.235 -4.150 1.00 50.55 C ATOM 239 O LEU A 14 -9.181 23.219 -4.322 1.00 41.45 O ATOM 240 CB LEU A 14 -9.391 19.921 -4.332 1.00 71.53 C ATOM 241 CG LEU A 14 -10.564 19.329 -5.115 1.00 21.41 C ATOM 242 CD1 LEU A 14 -11.289 18.284 -4.281 1.00 61.30 C ATOM 243 CD2 LEU A 14 -11.524 20.427 -5.549 1.00 64.23 C ATOM 0 H LEU A 14 -7.140 19.504 -5.247 1.00 64.00 H new ATOM 0 HA LEU A 14 -9.110 21.299 -5.958 1.00 54.13 H new ATOM 0 HB2 LEU A 14 -8.712 19.111 -4.066 1.00 71.53 H new ATOM 0 HB3 LEU A 14 -9.775 20.335 -3.399 1.00 71.53 H new ATOM 0 HG LEU A 14 -10.171 18.843 -6.008 1.00 21.41 H new ATOM 0 HD11 LEU A 14 -12.120 17.874 -4.854 1.00 61.30 H new ATOM 0 HD12 LEU A 14 -10.598 17.483 -4.020 1.00 61.30 H new ATOM 0 HD13 LEU A 14 -11.669 18.746 -3.370 1.00 61.30 H new ATOM 0 HD21 LEU A 14 -12.352 19.987 -6.105 1.00 64.23 H new ATOM 0 HD22 LEU A 14 -11.910 20.942 -4.669 1.00 64.23 H new ATOM 0 HD23 LEU A 14 -10.998 21.140 -6.185 1.00 64.23 H new ATOM 255 N TYR A 15 -7.541 22.171 -3.195 1.00 45.10 N ATOM 256 CA TYR A 15 -7.320 23.277 -2.271 1.00 4.02 C ATOM 257 C TYR A 15 -6.801 24.508 -3.008 1.00 73.03 C ATOM 258 O TYR A 15 -7.416 25.574 -2.971 1.00 32.02 O ATOM 259 CB TYR A 15 -6.329 22.867 -1.180 1.00 44.40 C ATOM 260 CG TYR A 15 -5.893 24.014 -0.296 1.00 13.02 C ATOM 261 CD1 TYR A 15 -4.797 24.799 -0.632 1.00 71.11 C ATOM 262 CD2 TYR A 15 -6.577 24.312 0.876 1.00 14.12 C ATOM 263 CE1 TYR A 15 -4.395 25.847 0.173 1.00 12.20 C ATOM 264 CE2 TYR A 15 -6.184 25.359 1.686 1.00 4.35 C ATOM 265 CZ TYR A 15 -5.092 26.124 1.331 1.00 61.31 C ATOM 266 OH TYR A 15 -4.696 27.167 2.136 1.00 24.21 O ATOM 0 H TYR A 15 -6.936 21.365 -3.040 1.00 45.10 H new ATOM 0 HA TYR A 15 -8.275 23.528 -1.810 1.00 4.02 H new ATOM 0 HB2 TYR A 15 -6.783 22.094 -0.560 1.00 44.40 H new ATOM 0 HB3 TYR A 15 -5.449 22.425 -1.647 1.00 44.40 H new ATOM 0 HD1 TYR A 15 -4.250 24.586 -1.538 1.00 71.11 H new ATOM 0 HD2 TYR A 15 -7.431 23.714 1.158 1.00 14.12 H new ATOM 0 HE1 TYR A 15 -3.540 26.446 -0.103 1.00 12.20 H new ATOM 0 HE2 TYR A 15 -6.729 25.578 2.593 1.00 4.35 H new ATOM 0 HH TYR A 15 -5.293 27.227 2.911 1.00 24.21 H new ATOM 276 N LYS A 16 -5.665 24.353 -3.680 1.00 33.54 N ATOM 277 CA LYS A 16 -5.062 25.449 -4.429 1.00 35.34 C ATOM 278 C LYS A 16 -6.074 26.077 -5.382 1.00 63.13 C ATOM 279 O LYS A 16 -6.359 27.272 -5.303 1.00 3.03 O ATOM 280 CB LYS A 16 -3.847 24.950 -5.213 1.00 71.24 C ATOM 281 CG LYS A 16 -2.542 25.605 -4.795 1.00 31.32 C ATOM 282 CD LYS A 16 -1.521 24.574 -4.343 1.00 1.30 C ATOM 283 CE LYS A 16 -0.099 25.041 -4.617 1.00 74.14 C ATOM 284 NZ LYS A 16 0.416 24.518 -5.913 1.00 74.21 N ATOM 0 H LYS A 16 -5.143 23.478 -3.721 1.00 33.54 H new ATOM 0 HA LYS A 16 -4.739 26.209 -3.718 1.00 35.34 H new ATOM 0 HB2 LYS A 16 -3.760 23.871 -5.084 1.00 71.24 H new ATOM 0 HB3 LYS A 16 -4.011 25.132 -6.275 1.00 71.24 H new ATOM 0 HG2 LYS A 16 -2.137 26.178 -5.630 1.00 31.32 H new ATOM 0 HG3 LYS A 16 -2.731 26.311 -3.986 1.00 31.32 H new ATOM 0 HD2 LYS A 16 -1.643 24.382 -3.277 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -1.701 23.631 -4.859 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -0.070 26.131 -4.628 1.00 74.14 H new ATOM 0 HE3 LYS A 16 0.553 24.713 -3.808 1.00 74.14 H new ATOM 0 HZ1 LYS A 16 1.387 24.858 -6.063 1.00 74.21 H new ATOM 0 HZ2 LYS A 16 0.412 23.478 -5.894 1.00 74.21 H new ATOM 0 HZ3 LYS A 16 -0.192 24.852 -6.688 1.00 74.21 H new ATOM 298 N LYS A 17 -6.615 25.264 -6.283 1.00 63.22 N ATOM 299 CA LYS A 17 -7.597 25.738 -7.251 1.00 3.31 C ATOM 300 C LYS A 17 -8.740 26.468 -6.553 1.00 21.12 C ATOM 301 O LYS A 17 -9.106 27.578 -6.936 1.00 13.12 O ATOM 302 CB LYS A 17 -8.148 24.566 -8.066 1.00 2.02 C ATOM 303 CG LYS A 17 -8.378 24.898 -9.530 1.00 15.11 C ATOM 304 CD LYS A 17 -9.508 24.069 -10.118 1.00 50.54 C ATOM 305 CE LYS A 17 -9.157 23.555 -11.506 1.00 33.30 C ATOM 306 NZ LYS A 17 -8.142 22.466 -11.454 1.00 12.44 N ATOM 0 H LYS A 17 -6.390 24.272 -6.363 1.00 63.22 H new ATOM 0 HA LYS A 17 -7.099 26.437 -7.923 1.00 3.31 H new ATOM 0 HB2 LYS A 17 -7.454 23.728 -7.997 1.00 2.02 H new ATOM 0 HB3 LYS A 17 -9.089 24.238 -7.624 1.00 2.02 H new ATOM 0 HG2 LYS A 17 -8.612 25.958 -9.631 1.00 15.11 H new ATOM 0 HG3 LYS A 17 -7.462 24.718 -10.093 1.00 15.11 H new ATOM 0 HD2 LYS A 17 -9.723 23.227 -9.460 1.00 50.54 H new ATOM 0 HD3 LYS A 17 -10.414 24.672 -10.170 1.00 50.54 H new ATOM 0 HE2 LYS A 17 -10.059 23.188 -11.996 1.00 33.30 H new ATOM 0 HE3 LYS A 17 -8.777 24.377 -12.112 1.00 33.30 H new ATOM 0 HZ1 LYS A 17 -8.066 22.017 -12.389 1.00 12.44 H new ATOM 0 HZ2 LYS A 17 -7.220 22.864 -11.185 1.00 12.44 H new ATOM 0 HZ3 LYS A 17 -8.431 21.756 -10.751 1.00 12.44 H new ATOM 320 N GLY A 18 -9.299 25.836 -5.525 1.00 11.41 N ATOM 321 CA GLY A 18 -10.394 26.442 -4.789 1.00 61.41 C ATOM 322 C GLY A 18 -10.067 27.843 -4.312 1.00 74.13 C ATOM 323 O GLY A 18 -10.854 28.771 -4.502 1.00 61.14 O ATOM 0 H GLY A 18 -9.014 24.916 -5.189 1.00 11.41 H new ATOM 0 HA2 GLY A 18 -11.280 26.475 -5.423 1.00 61.41 H new ATOM 0 HA3 GLY A 18 -10.640 25.817 -3.930 1.00 61.41 H new ATOM 327 N LYS A 19 -8.904 27.998 -3.689 1.00 13.01 N ATOM 328 CA LYS A 19 -8.474 29.296 -3.182 1.00 74.12 C ATOM 329 C LYS A 19 -8.367 30.313 -4.314 1.00 15.45 C ATOM 330 O LYS A 19 -9.003 31.367 -4.277 1.00 54.02 O ATOM 331 CB LYS A 19 -7.127 29.167 -2.469 1.00 65.10 C ATOM 332 CG LYS A 19 -6.962 30.125 -1.302 1.00 22.11 C ATOM 333 CD LYS A 19 -5.916 31.187 -1.596 1.00 3.04 C ATOM 334 CE LYS A 19 -4.609 30.898 -0.872 1.00 73.44 C ATOM 335 NZ LYS A 19 -4.790 30.860 0.605 1.00 1.43 N ATOM 0 H LYS A 19 -8.242 27.240 -3.523 1.00 13.01 H new ATOM 0 HA LYS A 19 -9.222 29.647 -2.471 1.00 74.12 H new ATOM 0 HB2 LYS A 19 -7.013 28.145 -2.108 1.00 65.10 H new ATOM 0 HB3 LYS A 19 -6.327 29.342 -3.188 1.00 65.10 H new ATOM 0 HG2 LYS A 19 -7.917 30.604 -1.085 1.00 22.11 H new ATOM 0 HG3 LYS A 19 -6.675 29.568 -0.410 1.00 22.11 H new ATOM 0 HD2 LYS A 19 -5.736 31.234 -2.670 1.00 3.04 H new ATOM 0 HD3 LYS A 19 -6.293 32.164 -1.293 1.00 3.04 H new ATOM 0 HE2 LYS A 19 -4.208 29.944 -1.213 1.00 73.44 H new ATOM 0 HE3 LYS A 19 -3.875 31.662 -1.128 1.00 73.44 H new ATOM 0 HZ1 LYS A 19 -3.912 31.167 1.070 1.00 1.43 H new ATOM 0 HZ2 LYS A 19 -5.566 31.497 0.876 1.00 1.43 H new ATOM 0 HZ3 LYS A 19 -5.018 29.890 0.902 1.00 1.43 H new ATOM 349 N LYS A 20 -7.560 29.991 -5.319 1.00 14.23 N ATOM 350 CA LYS A 20 -7.372 30.875 -6.463 1.00 1.23 C ATOM 351 C LYS A 20 -8.712 31.253 -7.085 1.00 13.42 C ATOM 352 O LYS A 20 -8.947 32.415 -7.420 1.00 40.21 O ATOM 353 CB LYS A 20 -6.482 30.204 -7.511 1.00 73.53 C ATOM 354 CG LYS A 20 -5.012 30.172 -7.131 1.00 71.52 C ATOM 355 CD LYS A 20 -4.134 29.846 -8.328 1.00 22.24 C ATOM 356 CE LYS A 20 -3.867 31.080 -9.175 1.00 44.14 C ATOM 357 NZ LYS A 20 -4.824 31.191 -10.311 1.00 0.14 N ATOM 0 H LYS A 20 -7.025 29.124 -5.364 1.00 14.23 H new ATOM 0 HA LYS A 20 -6.886 31.785 -6.111 1.00 1.23 H new ATOM 0 HB2 LYS A 20 -6.830 29.183 -7.671 1.00 73.53 H new ATOM 0 HB3 LYS A 20 -6.592 30.730 -8.459 1.00 73.53 H new ATOM 0 HG2 LYS A 20 -4.721 31.138 -6.717 1.00 71.52 H new ATOM 0 HG3 LYS A 20 -4.853 29.429 -6.349 1.00 71.52 H new ATOM 0 HD2 LYS A 20 -3.188 29.428 -7.984 1.00 22.24 H new ATOM 0 HD3 LYS A 20 -4.617 29.082 -8.938 1.00 22.24 H new ATOM 0 HE2 LYS A 20 -3.939 31.971 -8.551 1.00 44.14 H new ATOM 0 HE3 LYS A 20 -2.848 31.042 -9.561 1.00 44.14 H new ATOM 0 HZ1 LYS A 20 -4.300 31.181 -11.209 1.00 0.14 H new ATOM 0 HZ2 LYS A 20 -5.486 30.389 -10.287 1.00 0.14 H new ATOM 0 HZ3 LYS A 20 -5.356 32.081 -10.231 1.00 0.14 H new ATOM 371 N LEU A 21 -9.589 30.267 -7.235 1.00 62.42 N ATOM 372 CA LEU A 21 -10.907 30.496 -7.816 1.00 13.32 C ATOM 373 C LEU A 21 -11.811 31.239 -6.837 1.00 52.22 C ATOM 374 O LEU A 21 -12.833 31.804 -7.227 1.00 40.30 O ATOM 375 CB LEU A 21 -11.550 29.166 -8.213 1.00 12.24 C ATOM 376 CG LEU A 21 -12.316 29.159 -9.536 1.00 13.41 C ATOM 377 CD1 LEU A 21 -13.511 30.098 -9.466 1.00 62.00 C ATOM 378 CD2 LEU A 21 -11.398 29.547 -10.686 1.00 21.32 C ATOM 0 H LEU A 21 -9.411 29.300 -6.962 1.00 62.42 H new ATOM 0 HA LEU A 21 -10.782 31.112 -8.707 1.00 13.32 H new ATOM 0 HB2 LEU A 21 -10.768 28.409 -8.265 1.00 12.24 H new ATOM 0 HB3 LEU A 21 -12.233 28.864 -7.419 1.00 12.24 H new ATOM 0 HG LEU A 21 -12.683 28.149 -9.715 1.00 13.41 H new ATOM 0 HD11 LEU A 21 -14.044 30.080 -10.417 1.00 62.00 H new ATOM 0 HD12 LEU A 21 -14.180 29.776 -8.668 1.00 62.00 H new ATOM 0 HD13 LEU A 21 -13.166 31.112 -9.263 1.00 62.00 H new ATOM 0 HD21 LEU A 21 -11.960 29.537 -11.620 1.00 21.32 H new ATOM 0 HD22 LEU A 21 -11.001 30.547 -10.513 1.00 21.32 H new ATOM 0 HD23 LEU A 21 -10.575 28.836 -10.750 1.00 21.32 H new ATOM 390 N SER A 22 -11.427 31.236 -5.565 1.00 23.42 N ATOM 391 CA SER A 22 -12.203 31.908 -4.530 1.00 33.12 C ATOM 392 C SER A 22 -12.170 33.421 -4.722 1.00 43.11 C ATOM 393 O SER A 22 -13.202 34.089 -4.667 1.00 14.20 O ATOM 394 CB SER A 22 -11.666 31.547 -3.144 1.00 22.53 C ATOM 395 OG SER A 22 -12.600 31.881 -2.132 1.00 24.14 O ATOM 0 H SER A 22 -10.582 30.775 -5.226 1.00 23.42 H new ATOM 0 HA SER A 22 -13.237 31.571 -4.610 1.00 33.12 H new ATOM 0 HB2 SER A 22 -11.446 30.480 -3.102 1.00 22.53 H new ATOM 0 HB3 SER A 22 -10.728 32.073 -2.966 1.00 22.53 H new ATOM 0 HG SER A 22 -12.234 31.639 -1.256 1.00 24.14 H new ATOM 401 N LYS A 23 -10.975 33.956 -4.948 1.00 64.11 N ATOM 402 CA LYS A 23 -10.803 35.390 -5.150 1.00 74.22 C ATOM 403 C LYS A 23 -11.548 35.856 -6.397 1.00 14.33 C ATOM 404 O LYS A 23 -11.877 37.034 -6.530 1.00 43.33 O ATOM 405 CB LYS A 23 -9.317 35.735 -5.272 1.00 74.53 C ATOM 406 CG LYS A 23 -8.705 35.326 -6.601 1.00 33.30 C ATOM 407 CD LYS A 23 -7.369 34.628 -6.408 1.00 51.43 C ATOM 408 CE LYS A 23 -6.650 34.426 -7.733 1.00 43.41 C ATOM 409 NZ LYS A 23 -5.182 34.647 -7.607 1.00 15.51 N ATOM 0 H LYS A 23 -10.110 33.417 -4.996 1.00 64.11 H new ATOM 0 HA LYS A 23 -11.219 35.906 -4.285 1.00 74.22 H new ATOM 0 HB2 LYS A 23 -9.190 36.809 -5.138 1.00 74.53 H new ATOM 0 HB3 LYS A 23 -8.772 35.246 -4.465 1.00 74.53 H new ATOM 0 HG2 LYS A 23 -9.390 34.663 -7.129 1.00 33.30 H new ATOM 0 HG3 LYS A 23 -8.569 36.208 -7.227 1.00 33.30 H new ATOM 0 HD2 LYS A 23 -6.742 35.218 -5.739 1.00 51.43 H new ATOM 0 HD3 LYS A 23 -7.528 33.662 -5.928 1.00 51.43 H new ATOM 0 HE2 LYS A 23 -6.835 33.415 -8.096 1.00 43.41 H new ATOM 0 HE3 LYS A 23 -7.058 35.111 -8.476 1.00 43.41 H new ATOM 0 HZ1 LYS A 23 -4.728 34.500 -8.531 1.00 15.51 H new ATOM 0 HZ2 LYS A 23 -5.004 35.620 -7.285 1.00 15.51 H new ATOM 0 HZ3 LYS A 23 -4.788 33.976 -6.917 1.00 15.51 H new ATOM 423 N ASN A 24 -11.813 34.924 -7.306 1.00 72.11 N ATOM 424 CA ASN A 24 -12.521 35.240 -8.542 1.00 2.25 C ATOM 425 C ASN A 24 -13.836 35.955 -8.247 1.00 51.14 C ATOM 426 O ASN A 24 -14.806 35.338 -7.805 1.00 5.52 O ATOM 427 CB ASN A 24 -12.789 33.964 -9.341 1.00 61.33 C ATOM 428 CG ASN A 24 -12.856 34.220 -10.834 1.00 54.44 C ATOM 429 OD1 ASN A 24 -13.903 34.045 -11.459 1.00 23.20 O ATOM 430 ND2 ASN A 24 -11.737 34.638 -11.414 1.00 10.01 N ATOM 0 H ASN A 24 -11.548 33.944 -7.211 1.00 72.11 H new ATOM 0 HA ASN A 24 -11.891 35.905 -9.133 1.00 2.25 H new ATOM 0 HB2 ASN A 24 -12.003 33.238 -9.135 1.00 61.33 H new ATOM 0 HB3 ASN A 24 -13.728 33.521 -9.009 1.00 61.33 H new ATOM 0 HD21 ASN A 24 -11.722 34.828 -12.416 1.00 10.01 H new ATOM 0 HD22 ASN A 24 -10.892 34.769 -10.857 1.00 10.01 H new ATOM 437 N LYS A 25 -13.862 37.260 -8.497 1.00 35.12 N ATOM 438 CA LYS A 25 -15.058 38.060 -8.261 1.00 53.33 C ATOM 439 C LYS A 25 -16.195 37.623 -9.180 1.00 11.43 C ATOM 440 O LYS A 25 -17.368 37.741 -8.829 1.00 74.12 O ATOM 441 CB LYS A 25 -14.755 39.544 -8.479 1.00 5.43 C ATOM 442 CG LYS A 25 -14.872 40.381 -7.216 1.00 75.32 C ATOM 443 CD LYS A 25 -16.217 41.085 -7.137 1.00 44.05 C ATOM 444 CE LYS A 25 -16.292 42.009 -5.932 1.00 4.41 C ATOM 445 NZ LYS A 25 -16.617 43.408 -6.325 1.00 44.52 N ATOM 0 H LYS A 25 -13.068 37.786 -8.863 1.00 35.12 H new ATOM 0 HA LYS A 25 -15.369 37.906 -7.228 1.00 53.33 H new ATOM 0 HB2 LYS A 25 -13.746 39.645 -8.880 1.00 5.43 H new ATOM 0 HB3 LYS A 25 -15.438 39.939 -9.231 1.00 5.43 H new ATOM 0 HG2 LYS A 25 -14.742 39.743 -6.342 1.00 75.32 H new ATOM 0 HG3 LYS A 25 -14.071 41.120 -7.193 1.00 75.32 H new ATOM 0 HD2 LYS A 25 -16.382 41.660 -8.048 1.00 44.05 H new ATOM 0 HD3 LYS A 25 -17.014 40.344 -7.079 1.00 44.05 H new ATOM 0 HE2 LYS A 25 -17.049 41.641 -5.239 1.00 4.41 H new ATOM 0 HE3 LYS A 25 -15.340 41.993 -5.402 1.00 4.41 H new ATOM 0 HZ1 LYS A 25 -16.659 44.006 -5.475 1.00 44.52 H new ATOM 0 HZ2 LYS A 25 -15.882 43.768 -6.966 1.00 44.52 H new ATOM 0 HZ3 LYS A 25 -17.538 43.428 -6.808 1.00 44.52 H new ATOM 459 N ASN A 26 -15.838 37.118 -10.356 1.00 34.31 N ATOM 460 CA ASN A 26 -16.829 36.662 -11.324 1.00 54.22 C ATOM 461 C ASN A 26 -17.807 35.683 -10.682 1.00 14.21 C ATOM 462 O ASN A 26 -18.970 35.600 -11.079 1.00 21.02 O ATOM 463 CB ASN A 26 -16.139 36.001 -12.519 1.00 12.10 C ATOM 464 CG ASN A 26 -16.430 36.717 -13.824 1.00 2.44 C ATOM 465 OD1 ASN A 26 -17.467 37.363 -13.972 1.00 53.14 O ATOM 466 ND2 ASN A 26 -15.512 36.606 -14.777 1.00 20.21 N ATOM 0 H ASN A 26 -14.870 37.014 -10.662 1.00 34.31 H new ATOM 0 HA ASN A 26 -17.388 37.531 -11.671 1.00 54.22 H new ATOM 0 HB2 ASN A 26 -15.062 35.984 -12.349 1.00 12.10 H new ATOM 0 HB3 ASN A 26 -16.466 34.964 -12.596 1.00 12.10 H new ATOM 0 HD21 ASN A 26 -15.652 37.067 -15.676 1.00 20.21 H new ATOM 0 HD22 ASN A 26 -14.667 36.060 -14.610 1.00 20.21 H new ATOM 473 N PHE A 27 -17.328 34.944 -9.687 1.00 35.11 N ATOM 474 CA PHE A 27 -18.160 33.970 -8.989 1.00 61.02 C ATOM 475 C PHE A 27 -19.341 34.653 -8.306 1.00 2.30 C ATOM 476 O PHE A 27 -20.449 34.117 -8.271 1.00 65.12 O ATOM 477 CB PHE A 27 -17.330 33.207 -7.955 1.00 63.21 C ATOM 478 CG PHE A 27 -17.556 31.722 -7.982 1.00 52.20 C ATOM 479 CD1 PHE A 27 -18.669 31.167 -7.372 1.00 34.21 C ATOM 480 CD2 PHE A 27 -16.656 30.882 -8.618 1.00 13.12 C ATOM 481 CE1 PHE A 27 -18.880 29.801 -7.395 1.00 4.04 C ATOM 482 CE2 PHE A 27 -16.862 29.515 -8.644 1.00 44.51 C ATOM 483 CZ PHE A 27 -17.975 28.974 -8.032 1.00 54.55 C ATOM 0 H PHE A 27 -16.368 35.001 -9.346 1.00 35.11 H new ATOM 0 HA PHE A 27 -18.547 33.266 -9.726 1.00 61.02 H new ATOM 0 HB2 PHE A 27 -16.273 33.409 -8.129 1.00 63.21 H new ATOM 0 HB3 PHE A 27 -17.567 33.584 -6.960 1.00 63.21 H new ATOM 0 HD1 PHE A 27 -19.380 31.809 -6.873 1.00 34.21 H new ATOM 0 HD2 PHE A 27 -15.784 31.300 -9.099 1.00 13.12 H new ATOM 0 HE1 PHE A 27 -19.752 29.381 -6.915 1.00 4.04 H new ATOM 0 HE2 PHE A 27 -16.153 28.871 -9.143 1.00 44.51 H new ATOM 0 HZ PHE A 27 -18.138 27.907 -8.051 1.00 54.55 H new ATOM 493 N LYS A 28 -19.096 35.841 -7.763 1.00 20.24 N ATOM 494 CA LYS A 28 -20.137 36.600 -7.080 1.00 72.12 C ATOM 495 C LYS A 28 -21.295 36.907 -8.025 1.00 62.41 C ATOM 496 O LYS A 28 -22.450 36.602 -7.728 1.00 30.21 O ATOM 497 CB LYS A 28 -19.563 37.903 -6.520 1.00 40.23 C ATOM 498 CG LYS A 28 -18.620 37.698 -5.347 1.00 50.14 C ATOM 499 CD LYS A 28 -19.316 37.006 -4.187 1.00 3.40 C ATOM 500 CE LYS A 28 -18.535 37.170 -2.892 1.00 13.03 C ATOM 501 NZ LYS A 28 -18.848 36.090 -1.915 1.00 55.23 N ATOM 0 H LYS A 28 -18.185 36.299 -7.783 1.00 20.24 H new ATOM 0 HA LYS A 28 -20.514 35.993 -6.257 1.00 72.12 H new ATOM 0 HB2 LYS A 28 -19.032 38.427 -7.315 1.00 40.23 H new ATOM 0 HB3 LYS A 28 -20.385 38.547 -6.207 1.00 40.23 H new ATOM 0 HG2 LYS A 28 -17.764 37.103 -5.666 1.00 50.14 H new ATOM 0 HG3 LYS A 28 -18.233 38.662 -5.017 1.00 50.14 H new ATOM 0 HD2 LYS A 28 -20.318 37.418 -4.064 1.00 3.40 H new ATOM 0 HD3 LYS A 28 -19.433 35.946 -4.411 1.00 3.40 H new ATOM 0 HE2 LYS A 28 -17.467 37.165 -3.109 1.00 13.03 H new ATOM 0 HE3 LYS A 28 -18.766 38.139 -2.449 1.00 13.03 H new ATOM 0 HZ1 LYS A 28 -18.296 36.237 -1.046 1.00 55.23 H new ATOM 0 HZ2 LYS A 28 -19.863 36.110 -1.688 1.00 55.23 H new ATOM 0 HZ3 LYS A 28 -18.604 35.167 -2.328 1.00 55.23 H new ATOM 515 N LYS A 29 -20.978 37.510 -9.165 1.00 44.25 N ATOM 516 CA LYS A 29 -21.990 37.856 -10.156 1.00 71.11 C ATOM 517 C LYS A 29 -22.676 36.604 -10.693 1.00 31.32 C ATOM 518 O LYS A 29 -23.903 36.503 -10.681 1.00 45.22 O ATOM 519 CB LYS A 29 -21.358 38.638 -11.310 1.00 13.34 C ATOM 520 CG LYS A 29 -22.285 39.675 -11.921 1.00 2.34 C ATOM 521 CD LYS A 29 -21.561 40.986 -12.179 1.00 13.33 C ATOM 522 CE LYS A 29 -22.540 42.138 -12.353 1.00 25.13 C ATOM 523 NZ LYS A 29 -22.340 42.844 -13.649 1.00 0.25 N ATOM 0 H LYS A 29 -20.027 37.770 -9.426 1.00 44.25 H new ATOM 0 HA LYS A 29 -22.740 38.480 -9.670 1.00 71.11 H new ATOM 0 HB2 LYS A 29 -20.457 39.135 -10.951 1.00 13.34 H new ATOM 0 HB3 LYS A 29 -21.048 37.938 -12.086 1.00 13.34 H new ATOM 0 HG2 LYS A 29 -22.693 39.293 -12.857 1.00 2.34 H new ATOM 0 HG3 LYS A 29 -23.128 39.849 -11.253 1.00 2.34 H new ATOM 0 HD2 LYS A 29 -20.888 41.201 -11.349 1.00 13.33 H new ATOM 0 HD3 LYS A 29 -20.944 40.893 -13.073 1.00 13.33 H new ATOM 0 HE2 LYS A 29 -23.560 41.759 -12.300 1.00 25.13 H new ATOM 0 HE3 LYS A 29 -22.419 42.845 -11.532 1.00 25.13 H new ATOM 0 HZ1 LYS A 29 -23.026 43.622 -13.730 1.00 0.25 H new ATOM 0 HZ2 LYS A 29 -21.374 43.228 -13.690 1.00 0.25 H new ATOM 0 HZ3 LYS A 29 -22.480 42.176 -14.434 1.00 0.25 H new ATOM 537 N ALA A 30 -21.876 35.651 -11.161 1.00 55.01 N ATOM 538 CA ALA A 30 -22.407 34.404 -11.698 1.00 41.25 C ATOM 539 C ALA A 30 -23.336 33.726 -10.697 1.00 52.34 C ATOM 540 O ALA A 30 -24.420 33.264 -11.056 1.00 31.45 O ATOM 541 CB ALA A 30 -21.270 33.469 -12.083 1.00 41.20 C ATOM 0 H ALA A 30 -20.858 35.719 -11.179 1.00 55.01 H new ATOM 0 HA ALA A 30 -22.987 34.640 -12.590 1.00 41.25 H new ATOM 0 HB1 ALA A 30 -21.681 32.542 -12.482 1.00 41.20 H new ATOM 0 HB2 ALA A 30 -20.647 33.946 -12.840 1.00 41.20 H new ATOM 0 HB3 ALA A 30 -20.666 33.249 -11.203 1.00 41.20 H new ATOM 547 N LEU A 31 -22.906 33.670 -9.442 1.00 4.11 N ATOM 548 CA LEU A 31 -23.699 33.048 -8.388 1.00 74.50 C ATOM 549 C LEU A 31 -25.029 33.773 -8.207 1.00 71.45 C ATOM 550 O LEU A 31 -26.097 33.186 -8.382 1.00 15.01 O ATOM 551 CB LEU A 31 -22.923 33.047 -7.070 1.00 44.02 C ATOM 552 CG LEU A 31 -23.628 32.404 -5.876 1.00 22.43 C ATOM 553 CD1 LEU A 31 -23.755 30.901 -6.076 1.00 45.44 C ATOM 554 CD2 LEU A 31 -22.880 32.710 -4.586 1.00 41.04 C ATOM 0 H LEU A 31 -22.012 34.048 -9.129 1.00 4.11 H new ATOM 0 HA LEU A 31 -23.904 32.019 -8.682 1.00 74.50 H new ATOM 0 HB2 LEU A 31 -21.977 32.530 -7.229 1.00 44.02 H new ATOM 0 HB3 LEU A 31 -22.683 34.079 -6.812 1.00 44.02 H new ATOM 0 HG LEU A 31 -24.630 32.826 -5.801 1.00 22.43 H new ATOM 0 HD11 LEU A 31 -24.259 30.461 -5.216 1.00 45.44 H new ATOM 0 HD12 LEU A 31 -24.334 30.702 -6.978 1.00 45.44 H new ATOM 0 HD13 LEU A 31 -22.762 30.462 -6.178 1.00 45.44 H new ATOM 0 HD21 LEU A 31 -23.396 32.244 -3.747 1.00 41.04 H new ATOM 0 HD22 LEU A 31 -21.866 32.316 -4.651 1.00 41.04 H new ATOM 0 HD23 LEU A 31 -22.842 33.789 -4.435 1.00 41.04 H new ATOM 566 N LYS A 32 -24.956 35.053 -7.859 1.00 35.32 N ATOM 567 CA LYS A 32 -26.154 35.861 -7.658 1.00 25.52 C ATOM 568 C LYS A 32 -27.084 35.763 -8.862 1.00 52.34 C ATOM 569 O LYS A 32 -28.272 35.472 -8.720 1.00 0.31 O ATOM 570 CB LYS A 32 -25.772 37.322 -7.411 1.00 71.04 C ATOM 571 CG LYS A 32 -25.716 37.696 -5.940 1.00 55.34 C ATOM 572 CD LYS A 32 -24.782 38.870 -5.699 1.00 31.04 C ATOM 573 CE LYS A 32 -24.725 39.242 -4.225 1.00 4.20 C ATOM 574 NZ LYS A 32 -25.796 40.208 -3.855 1.00 2.04 N ATOM 0 H LYS A 32 -24.080 35.554 -7.710 1.00 35.32 H new ATOM 0 HA LYS A 32 -26.680 35.477 -6.784 1.00 25.52 H new ATOM 0 HB2 LYS A 32 -24.800 37.516 -7.864 1.00 71.04 H new ATOM 0 HB3 LYS A 32 -26.492 37.967 -7.914 1.00 71.04 H new ATOM 0 HG2 LYS A 32 -26.717 37.948 -5.589 1.00 55.34 H new ATOM 0 HG3 LYS A 32 -25.381 36.838 -5.358 1.00 55.34 H new ATOM 0 HD2 LYS A 32 -23.781 38.619 -6.051 1.00 31.04 H new ATOM 0 HD3 LYS A 32 -25.118 39.729 -6.280 1.00 31.04 H new ATOM 0 HE2 LYS A 32 -24.823 38.341 -3.619 1.00 4.20 H new ATOM 0 HE3 LYS A 32 -23.751 39.675 -3.997 1.00 4.20 H new ATOM 0 HZ1 LYS A 32 -25.723 40.436 -2.843 1.00 2.04 H new ATOM 0 HZ2 LYS A 32 -25.688 41.078 -4.415 1.00 2.04 H new ATOM 0 HZ3 LYS A 32 -26.726 39.786 -4.048 1.00 2.04 H new ATOM 588 N PHE A 33 -26.537 36.007 -10.049 1.00 2.15 N ATOM 589 CA PHE A 33 -27.318 35.946 -11.278 1.00 52.32 C ATOM 590 C PHE A 33 -28.043 34.609 -11.396 1.00 72.24 C ATOM 591 O PHE A 33 -29.272 34.558 -11.440 1.00 65.24 O ATOM 592 CB PHE A 33 -26.413 36.158 -12.494 1.00 32.23 C ATOM 593 CG PHE A 33 -27.163 36.515 -13.745 1.00 15.32 C ATOM 594 CD1 PHE A 33 -27.929 37.669 -13.804 1.00 25.10 C ATOM 595 CD2 PHE A 33 -27.104 35.697 -14.862 1.00 11.24 C ATOM 596 CE1 PHE A 33 -28.620 38.001 -14.954 1.00 1.02 C ATOM 597 CE2 PHE A 33 -27.793 36.024 -16.014 1.00 40.42 C ATOM 598 CZ PHE A 33 -28.553 37.177 -16.060 1.00 62.11 C ATOM 0 H PHE A 33 -25.555 36.249 -10.185 1.00 2.15 H new ATOM 0 HA PHE A 33 -28.063 36.741 -11.245 1.00 52.32 H new ATOM 0 HB2 PHE A 33 -25.698 36.949 -12.271 1.00 32.23 H new ATOM 0 HB3 PHE A 33 -25.838 35.249 -12.672 1.00 32.23 H new ATOM 0 HD1 PHE A 33 -27.986 38.316 -12.941 1.00 25.10 H new ATOM 0 HD2 PHE A 33 -26.513 34.794 -14.832 1.00 11.24 H new ATOM 0 HE1 PHE A 33 -29.212 38.904 -14.988 1.00 1.02 H new ATOM 0 HE2 PHE A 33 -27.738 35.379 -16.878 1.00 40.42 H new ATOM 0 HZ PHE A 33 -29.094 37.433 -16.959 1.00 62.11 H new ATOM 608 N GLY A 34 -27.272 33.527 -11.448 1.00 60.20 N ATOM 609 CA GLY A 34 -27.857 32.204 -11.561 1.00 70.44 C ATOM 610 C GLY A 34 -28.896 31.936 -10.491 1.00 73.50 C ATOM 611 O GLY A 34 -29.993 31.460 -10.785 1.00 13.21 O ATOM 0 H GLY A 34 -26.253 33.543 -11.414 1.00 60.20 H new ATOM 0 HA2 GLY A 34 -28.316 32.096 -12.544 1.00 70.44 H new ATOM 0 HA3 GLY A 34 -27.068 31.455 -11.493 1.00 70.44 H new ATOM 615 N LYS A 35 -28.551 32.239 -9.244 1.00 51.14 N ATOM 616 CA LYS A 35 -29.461 32.028 -8.125 1.00 54.10 C ATOM 617 C LYS A 35 -30.797 32.723 -8.371 1.00 62.12 C ATOM 618 O LYS A 35 -31.847 32.082 -8.380 1.00 72.20 O ATOM 619 CB LYS A 35 -28.836 32.547 -6.828 1.00 32.51 C ATOM 620 CG LYS A 35 -29.301 31.801 -5.589 1.00 3.34 C ATOM 621 CD LYS A 35 -28.534 32.242 -4.353 1.00 14.22 C ATOM 622 CE LYS A 35 -29.427 33.006 -3.387 1.00 2.23 C ATOM 623 NZ LYS A 35 -29.395 34.473 -3.644 1.00 74.41 N ATOM 0 H LYS A 35 -27.647 32.632 -8.983 1.00 51.14 H new ATOM 0 HA LYS A 35 -29.640 30.957 -8.032 1.00 54.10 H new ATOM 0 HB2 LYS A 35 -27.751 32.472 -6.902 1.00 32.51 H new ATOM 0 HB3 LYS A 35 -29.075 33.605 -6.717 1.00 32.51 H new ATOM 0 HG2 LYS A 35 -30.367 31.973 -5.438 1.00 3.34 H new ATOM 0 HG3 LYS A 35 -29.169 30.729 -5.737 1.00 3.34 H new ATOM 0 HD2 LYS A 35 -28.117 31.369 -3.852 1.00 14.22 H new ATOM 0 HD3 LYS A 35 -27.695 32.871 -4.649 1.00 14.22 H new ATOM 0 HE2 LYS A 35 -30.451 32.644 -3.476 1.00 2.23 H new ATOM 0 HE3 LYS A 35 -29.107 32.809 -2.364 1.00 2.23 H new ATOM 0 HZ1 LYS A 35 -30.016 34.958 -2.965 1.00 74.41 H new ATOM 0 HZ2 LYS A 35 -28.422 34.823 -3.535 1.00 74.41 H new ATOM 0 HZ3 LYS A 35 -29.725 34.663 -4.612 1.00 74.41 H new ATOM 637 N GLN A 36 -30.747 34.036 -8.572 1.00 34.10 N ATOM 638 CA GLN A 36 -31.954 34.816 -8.819 1.00 51.22 C ATOM 639 C GLN A 36 -32.691 34.303 -10.052 1.00 33.13 C ATOM 640 O GLN A 36 -33.914 34.414 -10.148 1.00 13.31 O ATOM 641 CB GLN A 36 -31.603 36.294 -8.999 1.00 11.20 C ATOM 642 CG GLN A 36 -32.404 37.223 -8.101 1.00 52.22 C ATOM 643 CD GLN A 36 -33.732 37.624 -8.713 1.00 34.35 C ATOM 644 OE1 GLN A 36 -33.846 38.673 -9.347 1.00 64.23 O ATOM 645 NE2 GLN A 36 -34.747 36.788 -8.524 1.00 60.14 N ATOM 0 H GLN A 36 -29.885 34.581 -8.569 1.00 34.10 H new ATOM 0 HA GLN A 36 -32.610 34.708 -7.955 1.00 51.22 H new ATOM 0 HB2 GLN A 36 -30.541 36.434 -8.797 1.00 11.20 H new ATOM 0 HB3 GLN A 36 -31.770 36.574 -10.039 1.00 11.20 H new ATOM 0 HG2 GLN A 36 -32.583 36.733 -7.144 1.00 52.22 H new ATOM 0 HG3 GLN A 36 -31.818 38.119 -7.896 1.00 52.22 H new ATOM 0 HE21 GLN A 36 -34.608 35.929 -7.992 1.00 60.14 H new ATOM 0 HE22 GLN A 36 -35.665 37.005 -8.911 1.00 60.14 H new ATOM 654 N LEU A 37 -31.941 33.741 -10.993 1.00 25.15 N ATOM 655 CA LEU A 37 -32.523 33.210 -12.220 1.00 43.13 C ATOM 656 C LEU A 37 -33.371 31.976 -11.932 1.00 23.54 C ATOM 657 O LEU A 37 -34.530 31.898 -12.337 1.00 11.14 O ATOM 658 CB LEU A 37 -31.420 32.863 -13.222 1.00 72.32 C ATOM 659 CG LEU A 37 -31.473 33.600 -14.561 1.00 33.41 C ATOM 660 CD1 LEU A 37 -32.845 33.448 -15.200 1.00 11.03 C ATOM 661 CD2 LEU A 37 -31.129 35.070 -14.374 1.00 54.22 C ATOM 0 H LEU A 37 -30.928 33.641 -10.930 1.00 25.15 H new ATOM 0 HA LEU A 37 -33.167 33.978 -12.649 1.00 43.13 H new ATOM 0 HB2 LEU A 37 -30.456 33.067 -12.756 1.00 72.32 H new ATOM 0 HB3 LEU A 37 -31.459 31.791 -13.418 1.00 72.32 H new ATOM 0 HG LEU A 37 -30.734 33.157 -15.228 1.00 33.41 H new ATOM 0 HD11 LEU A 37 -32.864 33.979 -16.152 1.00 11.03 H new ATOM 0 HD12 LEU A 37 -33.052 32.391 -15.370 1.00 11.03 H new ATOM 0 HD13 LEU A 37 -33.603 33.865 -14.537 1.00 11.03 H new ATOM 0 HD21 LEU A 37 -31.172 35.579 -15.337 1.00 54.22 H new ATOM 0 HD22 LEU A 37 -31.844 35.527 -13.690 1.00 54.22 H new ATOM 0 HD23 LEU A 37 -30.124 35.159 -13.961 1.00 54.22 H new ATOM 673 N ALA A 38 -32.785 31.013 -11.227 1.00 44.10 N ATOM 674 CA ALA A 38 -33.487 29.784 -10.880 1.00 54.12 C ATOM 675 C ALA A 38 -34.594 30.052 -9.866 1.00 55.33 C ATOM 676 O ALA A 38 -35.590 29.330 -9.813 1.00 54.41 O ATOM 677 CB ALA A 38 -32.510 28.752 -10.337 1.00 0.53 C ATOM 0 H ALA A 38 -31.825 31.061 -10.885 1.00 44.10 H new ATOM 0 HA ALA A 38 -33.947 29.390 -11.786 1.00 54.12 H new ATOM 0 HB1 ALA A 38 -33.049 27.839 -10.082 1.00 0.53 H new ATOM 0 HB2 ALA A 38 -31.758 28.530 -11.094 1.00 0.53 H new ATOM 0 HB3 ALA A 38 -32.022 29.146 -9.445 1.00 0.53 H new ATOM 683 N LYS A 39 -34.414 31.094 -9.062 1.00 50.41 N ATOM 684 CA LYS A 39 -35.397 31.459 -8.049 1.00 54.22 C ATOM 685 C LYS A 39 -36.777 31.644 -8.672 1.00 53.14 C ATOM 686 O LYS A 39 -37.797 31.391 -8.032 1.00 23.10 O ATOM 687 CB LYS A 39 -34.972 32.744 -7.335 1.00 51.45 C ATOM 688 CG LYS A 39 -35.095 32.669 -5.823 1.00 43.54 C ATOM 689 CD LYS A 39 -33.732 32.689 -5.152 1.00 21.32 C ATOM 690 CE LYS A 39 -33.164 34.098 -5.083 1.00 13.12 C ATOM 691 NZ LYS A 39 -33.293 34.682 -3.719 1.00 33.10 N ATOM 0 H LYS A 39 -33.595 31.702 -9.092 1.00 50.41 H new ATOM 0 HA LYS A 39 -35.451 30.648 -7.323 1.00 54.22 H new ATOM 0 HB2 LYS A 39 -33.938 32.970 -7.596 1.00 51.45 H new ATOM 0 HB3 LYS A 39 -35.581 33.571 -7.700 1.00 51.45 H new ATOM 0 HG2 LYS A 39 -35.691 33.508 -5.463 1.00 43.54 H new ATOM 0 HG3 LYS A 39 -35.625 31.758 -5.545 1.00 43.54 H new ATOM 0 HD2 LYS A 39 -33.815 32.280 -4.145 1.00 21.32 H new ATOM 0 HD3 LYS A 39 -33.045 32.046 -5.702 1.00 21.32 H new ATOM 0 HE2 LYS A 39 -32.113 34.081 -5.373 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -33.682 34.734 -5.801 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -32.894 35.643 -3.714 1.00 33.10 H new ATOM 0 HZ2 LYS A 39 -34.297 34.722 -3.452 1.00 33.10 H new ATOM 0 HZ3 LYS A 39 -32.777 34.089 -3.037 1.00 33.10 H new ATOM 705 N ASN A 40 -36.801 32.086 -9.926 1.00 33.22 N ATOM 706 CA ASN A 40 -38.057 32.303 -10.636 1.00 4.44 C ATOM 707 C ASN A 40 -38.299 31.201 -11.662 1.00 50.23 C ATOM 708 O ASN A 40 -39.443 30.886 -11.993 1.00 10.11 O ATOM 709 CB ASN A 40 -38.045 33.668 -11.328 1.00 71.42 C ATOM 710 CG ASN A 40 -38.748 34.736 -10.513 1.00 72.22 C ATOM 711 OD1 ASN A 40 -39.575 35.485 -11.033 1.00 34.11 O ATOM 712 ND2 ASN A 40 -38.421 34.810 -9.228 1.00 40.53 N ATOM 0 H ASN A 40 -35.966 32.301 -10.471 1.00 33.22 H new ATOM 0 HA ASN A 40 -38.867 32.280 -9.907 1.00 4.44 H new ATOM 0 HB2 ASN A 40 -37.014 33.972 -11.508 1.00 71.42 H new ATOM 0 HB3 ASN A 40 -38.526 33.583 -12.302 1.00 71.42 H new ATOM 0 HD21 ASN A 40 -38.861 35.509 -8.629 1.00 40.53 H new ATOM 0 HD22 ASN A 40 -37.730 34.168 -8.840 1.00 40.53 H new ATOM 719 N LEU A 41 -37.216 30.618 -12.163 1.00 45.21 N ATOM 720 CA LEU A 41 -37.309 29.550 -13.152 1.00 54.02 C ATOM 721 C LEU A 41 -38.222 29.954 -14.305 1.00 51.55 C ATOM 722 O LEU A 41 -37.876 29.782 -15.474 1.00 40.41 O ATOM 723 CB LEU A 41 -37.831 28.268 -12.500 1.00 4.33 C ATOM 724 CG LEU A 41 -37.278 26.957 -13.060 1.00 2.31 C ATOM 725 CD1 LEU A 41 -37.089 25.939 -11.947 1.00 32.44 C ATOM 726 CD2 LEU A 41 -38.200 26.407 -14.138 1.00 41.22 C ATOM 0 H LEU A 41 -36.262 30.867 -11.900 1.00 45.21 H new ATOM 0 HA LEU A 41 -36.310 29.368 -13.549 1.00 54.02 H new ATOM 0 HB2 LEU A 41 -37.606 28.308 -11.434 1.00 4.33 H new ATOM 0 HB3 LEU A 41 -38.917 28.251 -12.596 1.00 4.33 H new ATOM 0 HG LEU A 41 -36.305 27.157 -13.510 1.00 2.31 H new ATOM 0 HD11 LEU A 41 -36.695 25.012 -12.364 1.00 32.44 H new ATOM 0 HD12 LEU A 41 -36.389 26.332 -11.210 1.00 32.44 H new ATOM 0 HD13 LEU A 41 -38.048 25.742 -11.468 1.00 32.44 H new ATOM 0 HD21 LEU A 41 -37.791 25.474 -14.525 1.00 41.22 H new ATOM 0 HD22 LEU A 41 -39.187 26.222 -13.713 1.00 41.22 H new ATOM 0 HD23 LEU A 41 -38.284 27.131 -14.949 1.00 41.22 H new TER 738 LEU A 41