USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0.932 (180deg=0.926) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 140:sc= -0.0222 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0278 K(o=-0.028,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.286 USER MOD Single : A 43 ASN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -126:sc= 1.64 (180deg=-0.314) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.755 1.521 -0.037 1.00 0.00 N ATOM 71 CA TRP A 6 13.611 1.476 1.413 1.00 0.00 C ATOM 72 C TRP A 6 12.484 2.387 1.883 1.00 0.00 C ATOM 73 O TRP A 6 11.696 2.016 2.753 1.00 0.00 O ATOM 74 CB TRP A 6 14.923 1.871 2.092 1.00 0.00 C ATOM 75 CG TRP A 6 16.016 0.861 1.918 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.866 -0.450 1.574 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.423 1.077 2.079 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.092 -1.065 1.511 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.065 -0.146 1.816 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.202 2.190 2.418 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.442 -0.291 1.883 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.583 2.044 2.485 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.185 0.839 2.224 1.00 0.00 C ATOM 0 HA TRP A 6 13.361 0.453 1.692 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.257 2.828 1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.742 2.018 3.157 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.920 -0.934 1.379 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.253 -2.044 1.276 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.739 3.144 2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.919 -1.238 1.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.194 2.895 2.747 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.261 0.764 2.284 1.00 0.00 H new ATOM 94 N LEU A 7 12.413 3.579 1.303 1.00 0.00 N ATOM 95 CA LEU A 7 11.320 4.503 1.582 1.00 0.00 C ATOM 96 C LEU A 7 9.986 3.936 1.116 1.00 0.00 C ATOM 97 O LEU A 7 8.990 3.990 1.839 1.00 0.00 O ATOM 98 CB LEU A 7 11.587 5.858 0.913 1.00 0.00 C ATOM 99 CG LEU A 7 12.880 6.558 1.349 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.274 7.613 0.325 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.681 7.186 2.721 1.00 0.00 C ATOM 0 H LEU A 7 13.100 3.929 0.636 1.00 0.00 H new ATOM 0 HA LEU A 7 11.265 4.645 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.618 5.712 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.746 6.520 1.121 1.00 0.00 H new ATOM 0 HG LEU A 7 13.686 5.826 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.193 8.104 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.433 7.139 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.478 8.353 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.600 7.683 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.872 7.915 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.428 6.410 3.443 1.00 0.00 H new ATOM 113 N LEU A 8 9.970 3.392 -0.096 1.00 0.00 N ATOM 114 CA LEU A 8 8.769 2.776 -0.645 1.00 0.00 C ATOM 115 C LEU A 8 8.344 1.567 0.180 1.00 0.00 C ATOM 116 O LEU A 8 7.155 1.345 0.406 1.00 0.00 O ATOM 117 CB LEU A 8 8.999 2.372 -2.106 1.00 0.00 C ATOM 118 CG LEU A 8 7.969 1.392 -2.683 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.565 1.958 -2.526 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.285 1.126 -4.148 1.00 0.00 C ATOM 0 H LEU A 8 10.778 3.366 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 8 7.964 3.510 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.002 3.273 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.989 1.925 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 8 8.018 0.449 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.841 1.255 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.353 2.118 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.494 2.907 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.553 0.430 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.246 2.062 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.283 0.695 -4.233 1.00 0.00 H new ATOM 132 N LYS A 9 9.324 0.788 0.625 1.00 0.00 N ATOM 133 CA LYS A 9 9.065 -0.330 1.525 1.00 0.00 C ATOM 134 C LYS A 9 8.315 0.128 2.770 1.00 0.00 C ATOM 135 O LYS A 9 7.437 -0.574 3.271 1.00 0.00 O ATOM 136 CB LYS A 9 10.374 -1.013 1.921 1.00 0.00 C ATOM 137 CG LYS A 9 10.204 -2.207 2.853 1.00 0.00 C ATOM 138 CD LYS A 9 11.550 -2.738 3.321 1.00 0.00 C ATOM 139 CE LYS A 9 12.368 -1.653 4.004 1.00 0.00 C ATOM 140 NZ LYS A 9 13.741 -2.119 4.342 1.00 0.00 N ATOM 0 H LYS A 9 10.306 0.910 0.377 1.00 0.00 H new ATOM 0 HA LYS A 9 8.439 -1.047 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.885 -1.343 1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.021 -0.280 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.606 -1.915 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.657 -2.998 2.339 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.396 -3.568 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.104 -3.131 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.431 -0.782 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.859 -1.334 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.265 -1.349 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.682 -2.934 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.237 -2.399 3.472 1.00 0.00 H new ATOM 154 N GLU A 10 8.668 1.309 3.265 1.00 0.00 N ATOM 155 CA GLU A 10 7.967 1.906 4.396 1.00 0.00 C ATOM 156 C GLU A 10 6.613 2.464 3.972 1.00 0.00 C ATOM 157 O GLU A 10 5.650 2.427 4.736 1.00 0.00 O ATOM 158 CB GLU A 10 8.815 3.009 5.031 1.00 0.00 C ATOM 159 CG GLU A 10 10.058 2.510 5.752 1.00 0.00 C ATOM 160 CD GLU A 10 10.876 3.653 6.287 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.508 4.780 6.057 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.804 3.402 7.019 1.00 0.00 O ATOM 0 H GLU A 10 9.436 1.872 2.901 1.00 0.00 H new ATOM 0 HA GLU A 10 7.797 1.122 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.118 3.711 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.198 3.563 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.766 1.854 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.664 1.916 5.068 1.00 0.00 H new ATOM 169 N ALA A 11 6.549 2.981 2.750 1.00 0.00 N ATOM 170 CA ALA A 11 5.301 3.494 2.200 1.00 0.00 C ATOM 171 C ALA A 11 4.256 2.392 2.081 1.00 0.00 C ATOM 172 O ALA A 11 3.077 2.608 2.360 1.00 0.00 O ATOM 173 CB ALA A 11 5.545 4.145 0.847 1.00 0.00 C ATOM 0 H ALA A 11 7.349 3.056 2.121 1.00 0.00 H new ATOM 0 HA ALA A 11 4.916 4.248 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.603 4.523 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.248 4.970 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.960 3.409 0.158 1.00 0.00 H new ATOM 179 N LYS A 12 4.697 1.208 1.668 1.00 0.00 N ATOM 180 CA LYS A 12 3.800 0.071 1.503 1.00 0.00 C ATOM 181 C LYS A 12 3.200 -0.355 2.838 1.00 0.00 C ATOM 182 O LYS A 12 2.001 -0.615 2.935 1.00 0.00 O ATOM 183 CB LYS A 12 4.536 -1.104 0.858 1.00 0.00 C ATOM 184 CG LYS A 12 4.954 -0.868 -0.587 1.00 0.00 C ATOM 185 CD LYS A 12 6.052 -1.832 -1.010 1.00 0.00 C ATOM 186 CE LYS A 12 6.377 -1.687 -2.490 1.00 0.00 C ATOM 187 NZ LYS A 12 7.318 -2.740 -2.958 1.00 0.00 N ATOM 0 H LYS A 12 5.672 1.011 1.441 1.00 0.00 H new ATOM 0 HA LYS A 12 2.987 0.381 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.424 -1.329 1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.895 -1.985 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.091 -0.987 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.303 0.158 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.949 -1.647 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.740 -2.856 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.456 -1.739 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.813 -0.704 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.514 -2.606 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.207 -2.674 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.892 -3.677 -2.809 1.00 0.00 H new ATOM 201 N GLU A 13 4.042 -0.425 3.863 1.00 0.00 N ATOM 202 CA GLU A 13 3.599 -0.834 5.191 1.00 0.00 C ATOM 203 C GLU A 13 2.721 0.232 5.831 1.00 0.00 C ATOM 204 O GLU A 13 1.679 -0.075 6.412 1.00 0.00 O ATOM 205 CB GLU A 13 4.803 -1.133 6.088 1.00 0.00 C ATOM 206 CG GLU A 13 5.582 -2.382 5.701 1.00 0.00 C ATOM 207 CD GLU A 13 6.817 -2.539 6.544 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.078 -1.676 7.347 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.437 -3.573 6.465 1.00 0.00 O ATOM 0 H GLU A 13 5.036 -0.204 3.800 1.00 0.00 H new ATOM 0 HA GLU A 13 3.006 -1.742 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.478 -0.277 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.457 -1.240 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.946 -3.260 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.862 -2.327 4.649 1.00 0.00 H new ATOM 216 N LYS A 14 3.147 1.486 5.724 1.00 0.00 N ATOM 217 CA LYS A 14 2.501 2.579 6.441 1.00 0.00 C ATOM 218 C LYS A 14 1.100 2.840 5.902 1.00 0.00 C ATOM 219 O LYS A 14 0.175 3.125 6.662 1.00 0.00 O ATOM 220 CB LYS A 14 3.344 3.851 6.351 1.00 0.00 C ATOM 221 CG LYS A 14 4.578 3.853 7.243 1.00 0.00 C ATOM 222 CD LYS A 14 5.388 5.129 7.065 1.00 0.00 C ATOM 223 CE LYS A 14 4.562 6.361 7.400 1.00 0.00 C ATOM 224 NZ LYS A 14 5.287 7.621 7.081 1.00 0.00 N ATOM 0 H LYS A 14 3.938 1.771 5.147 1.00 0.00 H new ATOM 0 HA LYS A 14 2.414 2.285 7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.658 3.991 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.720 4.705 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.276 3.754 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.200 2.989 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.269 5.095 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.743 5.196 6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.625 6.331 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.305 6.349 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.689 8.437 7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.169 7.662 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.510 7.646 6.065 1.00 0.00 H new ATOM 238 N ALA A 15 0.950 2.740 4.584 1.00 0.00 N ATOM 239 CA ALA A 15 -0.281 3.152 3.920 1.00 0.00 C ATOM 240 C ALA A 15 -1.446 2.254 4.317 1.00 0.00 C ATOM 241 O ALA A 15 -2.556 2.731 4.559 1.00 0.00 O ATOM 242 CB ALA A 15 -0.095 3.148 2.410 1.00 0.00 C ATOM 0 H ALA A 15 1.667 2.377 3.955 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.515 4.167 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.022 3.458 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.703 3.840 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.168 2.144 2.078 1.00 0.00 H new ATOM 248 N ILE A 16 -1.188 0.952 4.381 1.00 0.00 N ATOM 249 CA ILE A 16 -2.249 -0.031 4.571 1.00 0.00 C ATOM 250 C ILE A 16 -2.760 -0.018 6.006 1.00 0.00 C ATOM 251 O ILE A 16 -3.888 -0.430 6.276 1.00 0.00 O ATOM 252 CB ILE A 16 -1.773 -1.452 4.218 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.182 -1.481 2.806 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.920 -2.443 4.340 1.00 0.00 C ATOM 255 CD1 ILE A 16 -1.999 -0.720 1.787 1.00 0.00 C ATOM 0 H ILE A 16 -0.253 0.553 4.304 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.060 0.247 3.897 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.994 -1.742 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.175 -1.064 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.089 -2.518 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.566 -3.442 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.296 -2.440 5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.721 -2.158 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.517 -0.786 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.999 -1.150 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.071 0.326 2.086 1.00 0.00 H new ATOM 267 N GLU A 17 -1.924 0.457 6.922 1.00 0.00 N ATOM 268 CA GLU A 17 -2.312 0.581 8.323 1.00 0.00 C ATOM 269 C GLU A 17 -3.668 1.261 8.461 1.00 0.00 C ATOM 270 O GLU A 17 -4.454 0.926 9.348 1.00 0.00 O ATOM 271 CB GLU A 17 -1.252 1.358 9.106 1.00 0.00 C ATOM 272 CG GLU A 17 0.040 0.591 9.346 1.00 0.00 C ATOM 273 CD GLU A 17 -0.204 -0.653 10.156 1.00 0.00 C ATOM 274 OE1 GLU A 17 -0.834 -0.556 11.182 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.140 -1.715 9.694 1.00 0.00 O ATOM 0 H GLU A 17 -0.972 0.763 6.720 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.391 -0.424 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.020 2.277 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.671 1.651 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.489 0.322 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.754 1.231 9.865 1.00 0.00 H new ATOM 282 N GLU A 18 -3.938 2.216 7.579 1.00 0.00 N ATOM 283 CA GLU A 18 -5.240 2.872 7.534 1.00 0.00 C ATOM 284 C GLU A 18 -6.336 1.891 7.142 1.00 0.00 C ATOM 285 O GLU A 18 -7.438 1.925 7.692 1.00 0.00 O ATOM 286 CB GLU A 18 -5.212 4.049 6.557 1.00 0.00 C ATOM 287 CG GLU A 18 -4.329 5.209 6.993 1.00 0.00 C ATOM 288 CD GLU A 18 -4.209 6.243 5.908 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.692 6.001 4.828 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.735 7.318 6.189 1.00 0.00 O ATOM 0 H GLU A 18 -3.272 2.554 6.884 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.461 3.247 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.868 3.691 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.229 4.415 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.744 5.667 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.339 4.836 7.254 1.00 0.00 H new ATOM 297 N LEU A 19 -6.030 1.018 6.187 1.00 0.00 N ATOM 298 CA LEU A 19 -6.978 0.003 5.746 1.00 0.00 C ATOM 299 C LEU A 19 -7.285 -0.987 6.862 1.00 0.00 C ATOM 300 O LEU A 19 -8.420 -1.442 7.007 1.00 0.00 O ATOM 301 CB LEU A 19 -6.431 -0.733 4.515 1.00 0.00 C ATOM 302 CG LEU A 19 -6.878 -0.164 3.162 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.831 1.358 3.195 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.981 -0.708 2.061 1.00 0.00 C ATOM 0 H LEU A 19 -5.132 0.994 5.704 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.908 0.503 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.342 -0.717 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.737 -1.778 4.571 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.905 -0.469 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.150 1.753 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.497 1.726 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.813 1.686 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.299 -0.304 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.949 -0.415 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.051 -1.795 2.038 1.00 0.00 H new ATOM 316 N LYS A 20 -6.267 -1.317 7.649 1.00 0.00 N ATOM 317 CA LYS A 20 -6.448 -2.168 8.820 1.00 0.00 C ATOM 318 C LYS A 20 -7.391 -1.523 9.829 1.00 0.00 C ATOM 319 O LYS A 20 -8.213 -2.201 10.445 1.00 0.00 O ATOM 320 CB LYS A 20 -5.100 -2.469 9.477 1.00 0.00 C ATOM 321 CG LYS A 20 -4.132 -3.250 8.598 1.00 0.00 C ATOM 322 CD LYS A 20 -2.861 -3.605 9.354 1.00 0.00 C ATOM 323 CE LYS A 20 -1.832 -4.246 8.436 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.530 -4.462 9.124 1.00 0.00 N ATOM 0 H LYS A 20 -5.307 -1.008 7.497 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.895 -3.104 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.632 -1.528 9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.274 -3.032 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.614 -4.162 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.881 -2.660 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.440 -2.706 9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.099 -4.288 10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.214 -5.201 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.680 -3.612 7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.127 -4.947 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.128 -3.544 9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.678 -5.046 9.971 1.00 0.00 H new ATOM 338 N LYS A 21 -7.266 -0.210 9.993 1.00 0.00 N ATOM 339 CA LYS A 21 -8.192 0.549 10.823 1.00 0.00 C ATOM 340 C LYS A 21 -9.578 0.606 10.192 1.00 0.00 C ATOM 341 O LYS A 21 -10.584 0.731 10.890 1.00 0.00 O ATOM 342 CB LYS A 21 -7.663 1.965 11.058 1.00 0.00 C ATOM 343 CG LYS A 21 -6.450 2.039 11.975 1.00 0.00 C ATOM 344 CD LYS A 21 -5.934 3.465 12.096 1.00 0.00 C ATOM 345 CE LYS A 21 -4.684 3.530 12.963 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.123 4.908 13.028 1.00 0.00 N ATOM 0 H LYS A 21 -6.531 0.350 9.561 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.275 0.038 11.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.404 2.407 10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.462 2.572 11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.714 1.661 12.962 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.660 1.396 11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.712 3.859 11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.710 4.099 12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.923 3.188 13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.931 2.850 12.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.273 4.909 13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.871 5.226 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.832 5.553 13.431 1.00 0.00 H new ATOM 360 N ALA A 22 -9.623 0.513 8.867 1.00 0.00 N ATOM 361 CA ALA A 22 -10.876 0.642 8.133 1.00 0.00 C ATOM 362 C ALA A 22 -11.630 -0.681 8.093 1.00 0.00 C ATOM 363 O ALA A 22 -12.771 -0.742 7.636 1.00 0.00 O ATOM 364 CB ALA A 22 -10.613 1.150 6.722 1.00 0.00 C ATOM 0 H ALA A 22 -8.805 0.349 8.280 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.500 1.367 8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.558 1.241 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.128 2.125 6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.965 0.448 6.197 1.00 0.00 H new ATOM 370 N GLY A 23 -10.985 -1.738 8.572 1.00 0.00 N ATOM 371 CA GLY A 23 -11.616 -3.049 8.653 1.00 0.00 C ATOM 372 C GLY A 23 -11.402 -3.845 7.372 1.00 0.00 C ATOM 373 O GLY A 23 -12.139 -4.788 7.085 1.00 0.00 O ATOM 0 H GLY A 23 -10.023 -1.712 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.207 -3.601 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.684 -2.931 8.836 1.00 0.00 H new ATOM 377 N ILE A 24 -10.388 -3.458 6.605 1.00 0.00 N ATOM 378 CA ILE A 24 -10.060 -4.150 5.364 1.00 0.00 C ATOM 379 C ILE A 24 -9.155 -5.347 5.622 1.00 0.00 C ATOM 380 O ILE A 24 -8.096 -5.216 6.236 1.00 0.00 O ATOM 381 CB ILE A 24 -9.374 -3.208 4.358 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.266 -1.998 4.065 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.041 -3.952 3.073 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.593 -2.357 3.434 1.00 0.00 C ATOM 0 H ILE A 24 -9.779 -2.669 6.821 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.002 -4.497 4.940 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.443 -2.850 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.450 -1.460 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.732 -1.316 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.557 -3.271 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.369 -4.781 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.958 -4.338 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.169 -1.449 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.419 -2.868 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.148 -3.014 4.104 1.00 0.00 H new ATOM 396 N THR A 25 -9.579 -6.515 5.151 1.00 0.00 N ATOM 397 CA THR A 25 -8.846 -7.751 5.397 1.00 0.00 C ATOM 398 C THR A 25 -8.513 -8.462 4.091 1.00 0.00 C ATOM 399 O THR A 25 -8.260 -9.667 4.077 1.00 0.00 O ATOM 400 CB THR A 25 -9.641 -8.709 6.302 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.907 -9.003 5.697 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.871 -8.084 7.670 1.00 0.00 C ATOM 0 H THR A 25 -10.427 -6.631 4.596 1.00 0.00 H new ATOM 0 HA THR A 25 -7.921 -7.472 5.902 1.00 0.00 H new ATOM 0 HB THR A 25 -9.067 -9.627 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.411 -9.614 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.435 -8.776 8.296 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.910 -7.871 8.139 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.433 -7.157 7.557 1.00 0.00 H new ATOM 410 N SER A 26 -8.514 -7.710 2.995 1.00 0.00 N ATOM 411 CA SER A 26 -8.247 -8.274 1.679 1.00 0.00 C ATOM 412 C SER A 26 -6.751 -8.346 1.404 1.00 0.00 C ATOM 413 O SER A 26 -6.125 -7.345 1.056 1.00 0.00 O ATOM 414 CB SER A 26 -8.941 -7.454 0.609 1.00 0.00 C ATOM 415 OG SER A 26 -8.606 -7.882 -0.683 1.00 0.00 O ATOM 0 H SER A 26 -8.697 -6.707 2.994 1.00 0.00 H new ATOM 0 HA SER A 26 -8.641 -9.290 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.020 -7.521 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.670 -6.405 0.724 1.00 0.00 H new ATOM 0 HG SER A 26 -9.404 -7.861 -1.252 1.00 0.00 H new ATOM 421 N ASP A 27 -6.182 -9.537 1.562 1.00 0.00 N ATOM 422 CA ASP A 27 -4.781 -9.766 1.231 1.00 0.00 C ATOM 423 C ASP A 27 -4.534 -9.600 -0.263 1.00 0.00 C ATOM 424 O ASP A 27 -3.427 -9.265 -0.686 1.00 0.00 O ATOM 425 CB ASP A 27 -4.345 -11.163 1.682 1.00 0.00 C ATOM 426 CG ASP A 27 -4.180 -11.313 3.189 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.171 -10.315 3.868 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.224 -12.424 3.663 1.00 0.00 O ATOM 0 H ASP A 27 -6.671 -10.359 1.918 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.188 -9.021 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.079 -11.890 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.400 -11.409 1.199 1.00 0.00 H new ATOM 433 N TYR A 28 -5.572 -9.835 -1.059 1.00 0.00 N ATOM 434 CA TYR A 28 -5.486 -9.651 -2.504 1.00 0.00 C ATOM 435 C TYR A 28 -5.038 -8.237 -2.853 1.00 0.00 C ATOM 436 O TYR A 28 -4.027 -8.046 -3.528 1.00 0.00 O ATOM 437 CB TYR A 28 -6.835 -9.951 -3.162 1.00 0.00 C ATOM 438 CG TYR A 28 -6.861 -9.691 -4.652 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.337 -10.614 -5.545 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.411 -8.523 -5.161 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.358 -10.381 -6.907 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.438 -8.281 -6.520 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.911 -9.212 -7.390 1.00 0.00 C ATOM 444 OH TYR A 28 -6.935 -8.976 -8.745 1.00 0.00 O ATOM 0 H TYR A 28 -6.483 -10.153 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.741 -10.349 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.093 -10.994 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.604 -9.345 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.905 -11.530 -5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.825 -7.791 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.944 -11.109 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.870 -7.367 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.359 -8.110 -8.919 1.00 0.00 H new ATOM 454 N TYR A 29 -5.795 -7.249 -2.388 1.00 0.00 N ATOM 455 CA TYR A 29 -5.509 -5.854 -2.699 1.00 0.00 C ATOM 456 C TYR A 29 -4.257 -5.374 -1.977 1.00 0.00 C ATOM 457 O TYR A 29 -3.544 -4.498 -2.466 1.00 0.00 O ATOM 458 CB TYR A 29 -6.701 -4.968 -2.327 1.00 0.00 C ATOM 459 CG TYR A 29 -7.895 -5.131 -3.240 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.809 -4.807 -4.587 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.105 -5.605 -2.756 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.895 -4.953 -5.427 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.198 -5.756 -3.586 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.089 -5.428 -4.923 1.00 0.00 C ATOM 465 OH TYR A 29 -11.175 -5.575 -5.754 1.00 0.00 O ATOM 0 H TYR A 29 -6.612 -7.389 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.333 -5.781 -3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.004 -5.194 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.384 -3.925 -2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.877 -4.434 -4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.194 -5.861 -1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.811 -4.697 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.132 -6.128 -3.192 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.935 -5.921 -5.241 1.00 0.00 H new ATOM 475 N PHE A 30 -3.993 -5.953 -0.811 1.00 0.00 N ATOM 476 CA PHE A 30 -2.746 -5.706 -0.097 1.00 0.00 C ATOM 477 C PHE A 30 -1.545 -6.176 -0.907 1.00 0.00 C ATOM 478 O PHE A 30 -0.446 -5.637 -0.775 1.00 0.00 O ATOM 479 CB PHE A 30 -2.764 -6.398 1.267 1.00 0.00 C ATOM 480 CG PHE A 30 -3.767 -5.820 2.227 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.690 -4.877 1.803 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.786 -6.220 3.554 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.610 -4.344 2.684 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.707 -5.689 4.438 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.619 -4.750 4.002 1.00 0.00 C ATOM 0 H PHE A 30 -4.627 -6.598 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.655 -4.630 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.980 -7.457 1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.771 -6.332 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.690 -4.555 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.074 -6.954 3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.323 -3.609 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.713 -6.009 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.339 -4.334 4.691 1.00 0.00 H new ATOM 495 N ASP A 31 -1.760 -7.185 -1.744 1.00 0.00 N ATOM 496 CA ASP A 31 -0.711 -7.687 -2.624 1.00 0.00 C ATOM 497 C ASP A 31 -0.383 -6.682 -3.721 1.00 0.00 C ATOM 498 O ASP A 31 0.767 -6.562 -4.142 1.00 0.00 O ATOM 499 CB ASP A 31 -1.125 -9.024 -3.243 1.00 0.00 C ATOM 500 CG ASP A 31 0.000 -9.764 -3.954 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.970 -10.091 -3.311 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.183 -10.133 -5.089 1.00 0.00 O ATOM 0 H ASP A 31 -2.652 -7.672 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 31 0.185 -7.838 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.526 -9.665 -2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.933 -8.847 -3.953 1.00 0.00 H new ATOM 507 N LEU A 32 -1.401 -5.962 -4.179 1.00 0.00 N ATOM 508 CA LEU A 32 -1.270 -5.115 -5.359 1.00 0.00 C ATOM 509 C LEU A 32 -0.240 -4.015 -5.136 1.00 0.00 C ATOM 510 O LEU A 32 0.481 -3.632 -6.056 1.00 0.00 O ATOM 511 CB LEU A 32 -2.630 -4.507 -5.727 1.00 0.00 C ATOM 512 CG LEU A 32 -3.412 -5.263 -6.809 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.752 -6.665 -6.322 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.676 -4.491 -7.156 1.00 0.00 C ATOM 0 H LEU A 32 -2.327 -5.948 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.924 -5.736 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.243 -4.456 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.473 -3.482 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.799 -5.352 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.307 -7.195 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.832 -7.206 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.360 -6.599 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.231 -5.029 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.296 -4.389 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.408 -3.502 -7.527 1.00 0.00 H new ATOM 526 N ILE A 33 -0.177 -3.511 -3.908 1.00 0.00 N ATOM 527 CA ILE A 33 0.778 -2.466 -3.559 1.00 0.00 C ATOM 528 C ILE A 33 2.204 -3.000 -3.557 1.00 0.00 C ATOM 529 O ILE A 33 3.164 -2.234 -3.651 1.00 0.00 O ATOM 530 CB ILE A 33 0.466 -1.855 -2.179 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.510 -2.937 -1.095 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.890 -1.168 -2.196 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.991 -2.436 0.247 1.00 0.00 C ATOM 0 H ILE A 33 -0.776 -3.809 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 33 0.687 -1.690 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 33 1.225 -1.107 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.487 -3.362 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.163 -3.744 -1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.094 -0.742 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.886 -0.374 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.663 -1.895 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.995 -3.258 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.001 -2.038 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.325 -1.650 0.602 1.00 0.00 H new ATOM 545 N ASN A 34 2.337 -4.317 -3.450 1.00 0.00 N ATOM 546 CA ASN A 34 3.645 -4.960 -3.483 1.00 0.00 C ATOM 547 C ASN A 34 4.201 -5.005 -4.901 1.00 0.00 C ATOM 548 O ASN A 34 5.410 -4.899 -5.107 1.00 0.00 O ATOM 549 CB ASN A 34 3.591 -6.360 -2.898 1.00 0.00 C ATOM 550 CG ASN A 34 3.388 -6.385 -1.408 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.760 -5.445 -0.694 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.877 -7.488 -0.925 1.00 0.00 N ATOM 0 H ASN A 34 1.554 -4.961 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 34 4.314 -4.359 -2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.782 -6.913 -3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.518 -6.881 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.770 -7.602 0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.585 -8.234 -1.556 1.00 0.00 H new ATOM 559 N LYS A 35 3.311 -5.161 -5.875 1.00 0.00 N ATOM 560 CA LYS A 35 3.670 -4.975 -7.276 1.00 0.00 C ATOM 561 C LYS A 35 4.024 -3.522 -7.566 1.00 0.00 C ATOM 562 O LYS A 35 4.765 -3.228 -8.505 1.00 0.00 O ATOM 563 CB LYS A 35 2.527 -5.428 -8.186 1.00 0.00 C ATOM 564 CG LYS A 35 2.847 -5.371 -9.674 1.00 0.00 C ATOM 565 CD LYS A 35 1.706 -5.936 -10.508 1.00 0.00 C ATOM 566 CE LYS A 35 2.024 -5.875 -11.995 1.00 0.00 C ATOM 567 NZ LYS A 35 0.912 -6.417 -12.823 1.00 0.00 N ATOM 0 H LYS A 35 2.336 -5.416 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 35 4.549 -5.587 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.254 -6.450 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.654 -4.805 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.038 -4.339 -9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.759 -5.933 -9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.517 -6.969 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.793 -5.376 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.220 -4.842 -12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.934 -6.440 -12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.168 -6.358 -13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.741 -7.410 -12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.049 -5.862 -12.652 1.00 0.00 H new ATOM 581 N ALA A 36 3.492 -2.615 -6.754 1.00 0.00 N ATOM 582 CA ALA A 36 3.628 -1.186 -7.007 1.00 0.00 C ATOM 583 C ALA A 36 5.049 -0.711 -6.730 1.00 0.00 C ATOM 584 O ALA A 36 5.305 -0.033 -5.735 1.00 0.00 O ATOM 585 CB ALA A 36 2.631 -0.402 -6.167 1.00 0.00 C ATOM 0 H ALA A 36 2.962 -2.845 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 36 3.414 -1.008 -8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.745 0.663 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.618 -0.713 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.815 -0.594 -5.110 1.00 0.00 H new ATOM 591 N LYS A 37 5.971 -1.070 -7.617 1.00 0.00 N ATOM 592 CA LYS A 37 7.373 -0.704 -7.456 1.00 0.00 C ATOM 593 C LYS A 37 7.552 0.809 -7.461 1.00 0.00 C ATOM 594 O LYS A 37 8.658 1.314 -7.269 1.00 0.00 O ATOM 595 CB LYS A 37 8.222 -1.339 -8.558 1.00 0.00 C ATOM 596 CG LYS A 37 9.723 -1.281 -8.307 1.00 0.00 C ATOM 597 CD LYS A 37 10.490 -2.080 -9.351 1.00 0.00 C ATOM 598 CE LYS A 37 11.974 -2.141 -9.022 1.00 0.00 C ATOM 599 NZ LYS A 37 12.727 -2.977 -9.997 1.00 0.00 N ATOM 0 H LYS A 37 5.772 -1.615 -8.456 1.00 0.00 H new ATOM 0 HA LYS A 37 7.708 -1.082 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.925 -2.381 -8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.004 -0.839 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.057 -0.243 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.943 -1.671 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.086 -3.091 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.352 -1.627 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.386 -1.132 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.107 -2.546 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.734 -2.992 -9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.352 -3.947 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.622 -2.577 -10.951 1.00 0.00 H new ATOM 613 N THR A 38 6.457 1.527 -7.684 1.00 0.00 N ATOM 614 CA THR A 38 6.436 2.973 -7.490 1.00 0.00 C ATOM 615 C THR A 38 5.641 3.350 -6.248 1.00 0.00 C ATOM 616 O THR A 38 4.719 2.640 -5.849 1.00 0.00 O ATOM 617 CB THR A 38 5.839 3.698 -8.710 1.00 0.00 C ATOM 618 OG1 THR A 38 4.444 3.386 -8.819 1.00 0.00 O ATOM 619 CG2 THR A 38 6.551 3.272 -9.986 1.00 0.00 C ATOM 0 H THR A 38 5.571 1.131 -8.000 1.00 0.00 H new ATOM 0 HA THR A 38 7.472 3.288 -7.364 1.00 0.00 H new ATOM 0 HB THR A 38 5.969 4.772 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.065 3.849 -9.595 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.115 3.795 -10.838 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.610 3.519 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.438 2.197 -10.124 1.00 0.00 H new ATOM 627 N VAL A 39 6.004 4.474 -5.639 1.00 0.00 N ATOM 628 CA VAL A 39 5.265 5.000 -4.496 1.00 0.00 C ATOM 629 C VAL A 39 3.873 5.461 -4.905 1.00 0.00 C ATOM 630 O VAL A 39 2.905 5.281 -4.165 1.00 0.00 O ATOM 631 CB VAL A 39 6.009 6.172 -3.832 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.139 6.820 -2.765 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.323 5.697 -3.230 1.00 0.00 C ATOM 0 H VAL A 39 6.806 5.039 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 39 5.178 4.185 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 39 6.229 6.917 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.681 7.647 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.223 7.196 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.889 6.083 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.836 6.539 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.124 4.933 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.952 5.278 -4.015 1.00 0.00 H new ATOM 643 N GLU A 40 3.777 6.058 -6.089 1.00 0.00 N ATOM 644 CA GLU A 40 2.502 6.550 -6.598 1.00 0.00 C ATOM 645 C GLU A 40 1.520 5.409 -6.823 1.00 0.00 C ATOM 646 O GLU A 40 0.315 5.564 -6.619 1.00 0.00 O ATOM 647 CB GLU A 40 2.710 7.330 -7.899 1.00 0.00 C ATOM 648 CG GLU A 40 3.413 8.669 -7.723 1.00 0.00 C ATOM 649 CD GLU A 40 3.676 9.324 -9.051 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.382 8.725 -10.057 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.068 10.468 -9.058 1.00 0.00 O ATOM 0 H GLU A 40 4.568 6.213 -6.714 1.00 0.00 H new ATOM 0 HA GLU A 40 2.080 7.218 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.291 6.716 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.740 7.501 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.800 9.326 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.355 8.522 -7.194 1.00 0.00 H new ATOM 658 N GLY A 41 2.040 4.262 -7.244 1.00 0.00 N ATOM 659 CA GLY A 41 1.221 3.071 -7.430 1.00 0.00 C ATOM 660 C GLY A 41 0.557 2.649 -6.125 1.00 0.00 C ATOM 661 O GLY A 41 -0.645 2.387 -6.086 1.00 0.00 O ATOM 0 H GLY A 41 3.028 4.132 -7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.457 3.266 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.840 2.256 -7.806 1.00 0.00 H new ATOM 665 N VAL A 42 1.348 2.586 -5.059 1.00 0.00 N ATOM 666 CA VAL A 42 0.859 2.113 -3.770 1.00 0.00 C ATOM 667 C VAL A 42 -0.286 2.980 -3.263 1.00 0.00 C ATOM 668 O VAL A 42 -1.273 2.473 -2.729 1.00 0.00 O ATOM 669 CB VAL A 42 1.980 2.091 -2.714 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.410 1.771 -1.340 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.050 1.078 -3.094 1.00 0.00 C ATOM 0 H VAL A 42 2.331 2.857 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 42 0.499 1.096 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 42 2.438 3.079 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.215 1.759 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.678 2.530 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.928 0.794 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.834 1.076 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.605 0.085 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.479 1.346 -4.060 1.00 0.00 H new ATOM 681 N ASN A 43 -0.148 4.291 -3.433 1.00 0.00 N ATOM 682 CA ASN A 43 -1.189 5.229 -3.030 1.00 0.00 C ATOM 683 C ASN A 43 -2.394 5.147 -3.959 1.00 0.00 C ATOM 684 O ASN A 43 -3.540 5.172 -3.509 1.00 0.00 O ATOM 685 CB ASN A 43 -0.664 6.653 -2.977 1.00 0.00 C ATOM 686 CG ASN A 43 -1.654 7.643 -2.429 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.075 7.553 -1.270 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.089 8.536 -3.280 1.00 0.00 N ATOM 0 H ASN A 43 0.675 4.728 -3.847 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.506 4.945 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.237 6.676 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.374 6.961 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.809 9.201 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.708 8.568 -4.226 1.00 0.00 H new ATOM 695 N ALA A 44 -2.128 5.047 -5.256 1.00 0.00 N ATOM 696 CA ALA A 44 -3.191 4.992 -6.255 1.00 0.00 C ATOM 697 C ALA A 44 -4.026 3.727 -6.099 1.00 0.00 C ATOM 698 O ALA A 44 -5.256 3.776 -6.138 1.00 0.00 O ATOM 699 CB ALA A 44 -2.605 5.075 -7.656 1.00 0.00 C ATOM 0 H ALA A 44 -1.185 5.002 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.847 5.848 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.410 5.033 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.061 6.013 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.924 4.239 -7.816 1.00 0.00 H new ATOM 705 N LEU A 45 -3.352 2.596 -5.922 1.00 0.00 N ATOM 706 CA LEU A 45 -4.031 1.321 -5.721 1.00 0.00 C ATOM 707 C LEU A 45 -4.881 1.345 -4.456 1.00 0.00 C ATOM 708 O LEU A 45 -6.072 1.036 -4.493 1.00 0.00 O ATOM 709 CB LEU A 45 -3.009 0.180 -5.657 1.00 0.00 C ATOM 710 CG LEU A 45 -2.158 -0.006 -6.918 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.788 -0.558 -6.548 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.873 -0.940 -7.882 1.00 0.00 C ATOM 0 H LEU A 45 -2.334 2.536 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.695 1.153 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.344 0.357 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.540 -0.751 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.016 0.959 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.191 -0.686 -7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.285 0.138 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.906 -1.521 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.267 -1.071 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.028 -1.907 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.837 -0.512 -8.156 1.00 0.00 H new ATOM 724 N LYS A 46 -4.262 1.713 -3.341 1.00 0.00 N ATOM 725 CA LYS A 46 -4.951 1.740 -2.056 1.00 0.00 C ATOM 726 C LYS A 46 -6.126 2.707 -2.081 1.00 0.00 C ATOM 727 O LYS A 46 -7.152 2.471 -1.444 1.00 0.00 O ATOM 728 CB LYS A 46 -3.980 2.120 -0.936 1.00 0.00 C ATOM 729 CG LYS A 46 -4.433 1.703 0.457 1.00 0.00 C ATOM 730 CD LYS A 46 -3.741 2.526 1.534 1.00 0.00 C ATOM 731 CE LYS A 46 -4.296 3.942 1.592 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.630 4.758 2.642 1.00 0.00 N ATOM 0 H LYS A 46 -3.283 1.997 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.338 0.739 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.011 1.665 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.834 3.200 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.513 1.824 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.218 0.645 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.870 2.043 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.670 2.561 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.166 4.423 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.368 3.904 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.349 5.164 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.985 4.156 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.089 5.525 2.194 1.00 0.00 H new ATOM 746 N ASP A 47 -5.971 3.800 -2.822 1.00 0.00 N ATOM 747 CA ASP A 47 -6.960 4.871 -2.824 1.00 0.00 C ATOM 748 C ASP A 47 -8.367 4.321 -3.019 1.00 0.00 C ATOM 749 O ASP A 47 -9.317 4.781 -2.385 1.00 0.00 O ATOM 750 CB ASP A 47 -6.640 5.895 -3.917 1.00 0.00 C ATOM 751 CG ASP A 47 -7.417 7.200 -3.804 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.252 7.883 -2.820 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.044 7.580 -4.763 1.00 0.00 O ATOM 0 H ASP A 47 -5.169 3.967 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.918 5.365 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.573 6.118 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.846 5.447 -4.889 1.00 0.00 H new ATOM 758 N GLU A 48 -8.494 3.334 -3.899 1.00 0.00 N ATOM 759 CA GLU A 48 -9.782 2.701 -4.160 1.00 0.00 C ATOM 760 C GLU A 48 -10.294 1.967 -2.928 1.00 0.00 C ATOM 761 O GLU A 48 -11.493 1.970 -2.646 1.00 0.00 O ATOM 762 CB GLU A 48 -9.674 1.735 -5.342 1.00 0.00 C ATOM 763 CG GLU A 48 -9.472 2.410 -6.691 1.00 0.00 C ATOM 764 CD GLU A 48 -9.267 1.398 -7.783 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.216 0.230 -7.483 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.273 1.782 -8.929 1.00 0.00 O ATOM 0 H GLU A 48 -7.720 2.954 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.496 3.486 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.843 1.053 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.580 1.130 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.339 3.029 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.610 3.075 -6.642 1.00 0.00 H new ATOM 773 N ILE A 49 -9.381 1.338 -2.197 1.00 0.00 N ATOM 774 CA ILE A 49 -9.743 0.569 -1.013 1.00 0.00 C ATOM 775 C ILE A 49 -10.038 1.483 0.168 1.00 0.00 C ATOM 776 O ILE A 49 -10.992 1.261 0.916 1.00 0.00 O ATOM 777 CB ILE A 49 -8.631 -0.420 -0.618 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.307 -1.354 -1.789 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.041 -1.221 0.607 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.458 -2.246 -2.195 1.00 0.00 C ATOM 0 H ILE A 49 -8.382 1.346 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.642 0.007 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.734 0.148 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.004 -0.754 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.454 -1.977 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.243 -1.915 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.224 -0.543 1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.951 -1.780 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.152 -2.878 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.747 -2.873 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.306 -1.631 -2.497 1.00 0.00 H new ATOM 792 N LEU A 50 -9.215 2.513 0.334 1.00 0.00 N ATOM 793 CA LEU A 50 -9.393 3.470 1.419 1.00 0.00 C ATOM 794 C LEU A 50 -10.706 4.228 1.276 1.00 0.00 C ATOM 795 O LEU A 50 -11.355 4.560 2.268 1.00 0.00 O ATOM 796 CB LEU A 50 -8.213 4.449 1.462 1.00 0.00 C ATOM 797 CG LEU A 50 -8.248 5.464 2.612 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.132 4.743 3.948 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.117 6.467 2.440 1.00 0.00 C ATOM 0 H LEU A 50 -8.417 2.706 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.427 2.915 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.289 3.876 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.179 4.994 0.519 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.197 6.000 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.158 5.472 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.964 4.047 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.191 4.193 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.142 7.188 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.161 5.943 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.236 6.990 1.491 1.00 0.00 H new ATOM 811 N LYS A 51 -11.093 4.502 0.034 1.00 0.00 N ATOM 812 CA LYS A 51 -12.328 5.227 -0.242 1.00 0.00 C ATOM 813 C LYS A 51 -13.455 4.272 -0.614 1.00 0.00 C ATOM 814 O LYS A 51 -14.473 4.685 -1.167 1.00 0.00 O ATOM 815 CB LYS A 51 -12.111 6.246 -1.361 1.00 0.00 C ATOM 816 CG LYS A 51 -11.149 7.372 -1.010 1.00 0.00 C ATOM 817 CD LYS A 51 -10.980 8.339 -2.173 1.00 0.00 C ATOM 818 CE LYS A 51 -10.044 9.484 -1.810 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.820 10.404 -2.958 1.00 0.00 N ATOM 0 H LYS A 51 -10.568 4.232 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.616 5.756 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.735 5.725 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.074 6.679 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.519 7.911 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.180 6.954 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.586 7.805 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.952 8.739 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.462 10.043 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.088 9.080 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.178 11.169 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.397 9.876 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.729 10.810 -3.260 1.00 0.00 H new ATOM 833 N ALA A 52 -13.267 2.994 -0.304 1.00 0.00 N ATOM 834 CA ALA A 52 -14.272 1.979 -0.597 1.00 0.00 C ATOM 835 C ALA A 52 -15.539 2.208 0.218 1.00 0.00 C ATOM 836 O ALA A 52 -16.338 3.030 -0.135 1.00 0.00 O ATOM 837 CB ALA A 52 -13.713 0.588 -0.334 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.737 1.564 1.211 1.00 0.00 O ATOM 0 H ALA A 52 -12.427 2.636 0.151 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.533 2.057 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.475 -0.159 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.843 0.420 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.420 0.506 0.713 1.00 0.00 H new