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+ 176:sc= 0.923 (180deg=0.91) 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 160:sc= 0.0274 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= -0.0228 K(o=-0.023,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= 0.298 USER MOD Single : A 43 ASN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.125) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.766 1.587 -0.015 1.00 0.00 N ATOM 71 CA TRP A 6 13.583 1.561 1.432 1.00 0.00 C ATOM 72 C TRP A 6 12.429 2.460 1.857 1.00 0.00 C ATOM 73 O TRP A 6 11.626 2.092 2.715 1.00 0.00 O ATOM 74 CB TRP A 6 14.869 1.991 2.139 1.00 0.00 C ATOM 75 CG TRP A 6 15.980 0.992 2.018 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.860 -0.326 1.692 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.380 1.230 2.220 1.00 0.00 C ATOM 78 NE1 TRP A 6 17.096 -0.925 1.679 1.00 0.00 N ATOM 79 CE2 TRP A 6 18.046 0.013 1.999 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.132 2.359 2.566 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.422 -0.113 2.114 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.511 2.234 2.679 1.00 0.00 C ATOM 83 CH2 TRP A 6 20.138 1.032 2.459 1.00 0.00 C ATOM 0 HA TRP A 6 13.343 0.538 1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.201 2.943 1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.655 2.159 3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.928 -0.827 1.475 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.278 -1.906 1.466 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.649 3.309 2.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.918 -1.057 1.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.101 3.098 2.945 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.212 0.973 2.556 1.00 0.00 H new ATOM 94 N LEU A 7 12.351 3.640 1.252 1.00 0.00 N ATOM 95 CA LEU A 7 11.236 4.551 1.489 1.00 0.00 C ATOM 96 C LEU A 7 9.922 3.950 1.007 1.00 0.00 C ATOM 97 O LEU A 7 8.910 4.007 1.705 1.00 0.00 O ATOM 98 CB LEU A 7 11.494 5.895 0.797 1.00 0.00 C ATOM 99 CG LEU A 7 12.757 6.635 1.259 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.156 7.681 0.226 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.500 7.284 2.611 1.00 0.00 C ATOM 0 H LEU A 7 13.047 3.989 0.593 1.00 0.00 H new ATOM 0 HA LEU A 7 11.155 4.716 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.564 5.725 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.632 6.542 0.962 1.00 0.00 H new ATOM 0 HG LEU A 7 13.578 5.925 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.053 8.201 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.356 7.193 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.345 8.399 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.397 7.809 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.676 7.992 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.243 6.516 3.340 1.00 0.00 H new ATOM 113 N LEU A 8 9.945 3.373 -0.190 1.00 0.00 N ATOM 114 CA LEU A 8 8.768 2.716 -0.746 1.00 0.00 C ATOM 115 C LEU A 8 8.354 1.519 0.099 1.00 0.00 C ATOM 116 O LEU A 8 7.167 1.280 0.314 1.00 0.00 O ATOM 117 CB LEU A 8 9.038 2.282 -2.192 1.00 0.00 C ATOM 118 CG LEU A 8 8.035 1.274 -2.769 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.619 1.818 -2.644 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.378 0.990 -4.223 1.00 0.00 C ATOM 0 H LEU A 8 10.767 3.347 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 8 7.946 3.431 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.043 3.169 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.036 1.847 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 8 8.093 0.341 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.914 1.096 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.388 1.992 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.540 2.756 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.665 0.274 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.331 1.916 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.384 0.576 -4.285 1.00 0.00 H new ATOM 132 N LYS A 9 9.341 0.769 0.577 1.00 0.00 N ATOM 133 CA LYS A 9 9.091 -0.326 1.505 1.00 0.00 C ATOM 134 C LYS A 9 8.328 0.154 2.732 1.00 0.00 C ATOM 135 O LYS A 9 7.453 -0.545 3.245 1.00 0.00 O ATOM 136 CB LYS A 9 10.407 -0.983 1.927 1.00 0.00 C ATOM 137 CG LYS A 9 10.246 -2.154 2.887 1.00 0.00 C ATOM 138 CD LYS A 9 11.593 -2.639 3.400 1.00 0.00 C ATOM 139 CE LYS A 9 12.365 -1.515 4.076 1.00 0.00 C ATOM 140 NZ LYS A 9 13.738 -1.938 4.464 1.00 0.00 N ATOM 0 H LYS A 9 10.323 0.900 0.336 1.00 0.00 H new ATOM 0 HA LYS A 9 8.477 -1.064 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.928 -1.329 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.041 -0.230 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.621 -1.854 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.731 -2.972 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.443 -3.456 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.178 -3.038 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.426 -0.660 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.823 -1.185 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.230 -1.144 4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.681 -2.737 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.264 -2.229 3.616 1.00 0.00 H new ATOM 154 N GLU A 10 8.664 1.351 3.201 1.00 0.00 N ATOM 155 CA GLU A 10 7.952 1.967 4.313 1.00 0.00 C ATOM 156 C GLU A 10 6.591 2.492 3.873 1.00 0.00 C ATOM 157 O GLU A 10 5.627 2.464 4.638 1.00 0.00 O ATOM 158 CB GLU A 10 8.782 3.100 4.920 1.00 0.00 C ATOM 159 CG GLU A 10 10.029 2.639 5.661 1.00 0.00 C ATOM 160 CD GLU A 10 10.850 3.808 6.127 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.485 4.922 5.834 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.781 3.597 6.869 1.00 0.00 O ATOM 0 H GLU A 10 9.427 1.915 2.827 1.00 0.00 H new ATOM 0 HA GLU A 10 7.792 1.200 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.079 3.783 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.154 3.666 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.741 2.029 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.630 2.007 5.007 1.00 0.00 H new ATOM 169 N ALA A 11 6.520 2.972 2.636 1.00 0.00 N ATOM 170 CA ALA A 11 5.263 3.447 2.070 1.00 0.00 C ATOM 171 C ALA A 11 4.237 2.325 1.986 1.00 0.00 C ATOM 172 O ALA A 11 3.054 2.530 2.260 1.00 0.00 O ATOM 173 CB ALA A 11 5.498 4.059 0.696 1.00 0.00 C ATOM 0 H ALA A 11 7.319 3.042 2.006 1.00 0.00 H new ATOM 0 HA ALA A 11 4.864 4.215 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.550 4.409 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.187 4.899 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.925 3.308 0.031 1.00 0.00 H new ATOM 179 N LYS A 12 4.697 1.137 1.606 1.00 0.00 N ATOM 180 CA LYS A 12 3.815 -0.016 1.466 1.00 0.00 C ATOM 181 C LYS A 12 3.227 -0.426 2.810 1.00 0.00 C ATOM 182 O LYS A 12 2.030 -0.695 2.919 1.00 0.00 O ATOM 183 CB LYS A 12 4.567 -1.192 0.840 1.00 0.00 C ATOM 184 CG LYS A 12 4.995 -0.968 -0.604 1.00 0.00 C ATOM 185 CD LYS A 12 6.126 -1.906 -0.998 1.00 0.00 C ATOM 186 CE LYS A 12 6.449 -1.791 -2.481 1.00 0.00 C ATOM 187 NZ LYS A 12 7.428 -2.824 -2.918 1.00 0.00 N ATOM 0 H LYS A 12 5.676 0.948 1.390 1.00 0.00 H new ATOM 0 HA LYS A 12 2.994 0.270 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.452 -1.402 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.934 -2.078 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.143 -1.124 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.315 0.066 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.015 -1.674 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.848 -2.933 -0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.532 -1.892 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.850 -0.799 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.621 -2.711 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.313 -2.712 -2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.035 -3.771 -2.743 1.00 0.00 H new ATOM 201 N GLU A 13 4.075 -0.474 3.832 1.00 0.00 N ATOM 202 CA GLU A 13 3.646 -0.883 5.164 1.00 0.00 C ATOM 203 C GLU A 13 2.754 0.174 5.804 1.00 0.00 C ATOM 204 O GLU A 13 1.720 -0.146 6.391 1.00 0.00 O ATOM 205 CB GLU A 13 4.859 -1.156 6.057 1.00 0.00 C ATOM 206 CG GLU A 13 5.655 -2.395 5.673 1.00 0.00 C ATOM 207 CD GLU A 13 6.900 -2.524 6.506 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.154 -1.651 7.299 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.537 -3.548 6.431 1.00 0.00 O ATOM 0 H GLU A 13 5.064 -0.234 3.763 1.00 0.00 H new ATOM 0 HA GLU A 13 3.068 -1.801 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.520 -0.290 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.520 -1.262 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.035 -3.282 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.924 -2.344 4.618 1.00 0.00 H new ATOM 216 N LYS A 14 3.158 1.433 5.687 1.00 0.00 N ATOM 217 CA LYS A 14 2.507 2.519 6.411 1.00 0.00 C ATOM 218 C LYS A 14 1.099 2.764 5.883 1.00 0.00 C ATOM 219 O LYS A 14 0.176 3.036 6.652 1.00 0.00 O ATOM 220 CB LYS A 14 3.336 3.800 6.314 1.00 0.00 C ATOM 221 CG LYS A 14 4.581 3.812 7.191 1.00 0.00 C ATOM 222 CD LYS A 14 5.371 5.099 7.013 1.00 0.00 C ATOM 223 CE LYS A 14 4.533 6.318 7.369 1.00 0.00 C ATOM 224 NZ LYS A 14 5.236 7.590 7.050 1.00 0.00 N ATOM 0 H LYS A 14 3.935 1.728 5.096 1.00 0.00 H new ATOM 0 HA LYS A 14 2.433 2.225 7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.636 3.946 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.706 4.647 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.293 3.702 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.212 2.958 6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.261 5.071 7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.712 5.179 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.589 6.280 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.291 6.294 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.631 8.395 7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.125 7.639 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.444 7.626 6.032 1.00 0.00 H new ATOM 238 N ALA A 15 0.940 2.668 4.568 1.00 0.00 N ATOM 239 CA ALA A 15 -0.294 3.082 3.912 1.00 0.00 C ATOM 240 C ALA A 15 -1.459 2.185 4.315 1.00 0.00 C ATOM 241 O ALA A 15 -2.571 2.662 4.545 1.00 0.00 O ATOM 242 CB ALA A 15 -0.119 3.081 2.401 1.00 0.00 C ATOM 0 H ALA A 15 1.652 2.306 3.934 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.524 4.097 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.050 3.392 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.677 3.773 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.141 2.077 2.065 1.00 0.00 H new ATOM 248 N ILE A 16 -1.198 0.886 4.397 1.00 0.00 N ATOM 249 CA ILE A 16 -2.255 -0.098 4.595 1.00 0.00 C ATOM 250 C ILE A 16 -2.757 -0.086 6.033 1.00 0.00 C ATOM 251 O ILE A 16 -3.876 -0.516 6.315 1.00 0.00 O ATOM 252 CB ILE A 16 -1.779 -1.518 4.240 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.200 -1.549 2.824 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.925 -2.512 4.372 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.023 -0.786 1.811 1.00 0.00 C ATOM 0 H ILE A 16 -0.261 0.489 4.329 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.070 0.179 3.927 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.993 -1.805 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.192 -1.135 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.112 -2.586 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.571 -3.511 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.294 -2.508 5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.732 -2.229 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.549 -0.854 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.025 -1.213 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.090 0.260 2.110 1.00 0.00 H new ATOM 267 N GLU A 17 -1.924 0.412 6.941 1.00 0.00 N ATOM 268 CA GLU A 17 -2.304 0.536 8.344 1.00 0.00 C ATOM 269 C GLU A 17 -3.646 1.243 8.490 1.00 0.00 C ATOM 270 O GLU A 17 -4.424 0.937 9.393 1.00 0.00 O ATOM 271 CB GLU A 17 -1.226 1.288 9.126 1.00 0.00 C ATOM 272 CG GLU A 17 0.059 0.501 9.342 1.00 0.00 C ATOM 273 CD GLU A 17 -0.193 -0.749 10.138 1.00 0.00 C ATOM 274 OE1 GLU A 17 -0.801 -0.656 11.177 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.123 -1.811 9.656 1.00 0.00 O ATOM 0 H GLU A 17 -0.980 0.737 6.730 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.402 -0.469 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.988 2.211 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.631 1.573 10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.494 0.239 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.787 1.125 9.861 1.00 0.00 H new ATOM 282 N GLU A 18 -3.911 2.190 7.596 1.00 0.00 N ATOM 283 CA GLU A 18 -5.210 2.849 7.540 1.00 0.00 C ATOM 284 C GLU A 18 -6.309 1.867 7.155 1.00 0.00 C ATOM 285 O GLU A 18 -7.408 1.904 7.708 1.00 0.00 O ATOM 286 CB GLU A 18 -5.176 4.016 6.549 1.00 0.00 C ATOM 287 CG GLU A 18 -4.284 5.174 6.973 1.00 0.00 C ATOM 288 CD GLU A 18 -4.100 6.160 5.853 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.534 5.877 4.762 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.627 7.241 6.112 1.00 0.00 O ATOM 0 H GLU A 18 -3.242 2.518 6.900 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.432 3.236 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.835 3.646 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.191 4.387 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.722 5.677 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.313 4.792 7.287 1.00 0.00 H new ATOM 297 N LEU A 19 -6.006 0.991 6.203 1.00 0.00 N ATOM 298 CA LEU A 19 -6.958 -0.024 5.765 1.00 0.00 C ATOM 299 C LEU A 19 -7.280 -0.998 6.891 1.00 0.00 C ATOM 300 O LEU A 19 -8.421 -1.439 7.035 1.00 0.00 O ATOM 301 CB LEU A 19 -6.407 -0.777 4.548 1.00 0.00 C ATOM 302 CG LEU A 19 -6.870 -0.245 3.186 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.929 1.276 3.213 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.920 -0.728 2.101 1.00 0.00 C ATOM 0 H LEU A 19 -5.108 0.963 5.720 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.883 0.478 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.318 -0.743 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.696 -1.825 4.628 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.870 -0.622 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.259 1.645 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.631 1.599 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.939 1.675 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.250 -0.349 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.914 -0.363 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.914 -1.818 2.081 1.00 0.00 H new ATOM 316 N LYS A 20 -6.270 -1.331 7.686 1.00 0.00 N ATOM 317 CA LYS A 20 -6.466 -2.167 8.865 1.00 0.00 C ATOM 318 C LYS A 20 -7.410 -1.504 9.860 1.00 0.00 C ATOM 319 O LYS A 20 -8.246 -2.167 10.475 1.00 0.00 O ATOM 320 CB LYS A 20 -5.125 -2.469 9.536 1.00 0.00 C ATOM 321 CG LYS A 20 -4.159 -3.272 8.676 1.00 0.00 C ATOM 322 CD LYS A 20 -2.896 -3.629 9.446 1.00 0.00 C ATOM 323 CE LYS A 20 -1.882 -4.331 8.556 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.593 -4.568 9.259 1.00 0.00 N ATOM 0 H LYS A 20 -5.306 -1.035 7.536 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.918 -3.103 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.650 -1.527 9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.310 -3.016 10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.647 -4.184 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.896 -2.697 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.453 -2.724 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.151 -4.273 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.292 -5.283 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.704 -3.729 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.046 -5.108 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.155 -3.655 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.767 -5.107 10.131 1.00 0.00 H new ATOM 338 N LYS A 21 -7.275 -0.191 10.012 1.00 0.00 N ATOM 339 CA LYS A 21 -8.202 0.586 10.826 1.00 0.00 C ATOM 340 C LYS A 21 -9.579 0.656 10.178 1.00 0.00 C ATOM 341 O LYS A 21 -10.591 0.803 10.862 1.00 0.00 O ATOM 342 CB LYS A 21 -7.658 1.996 11.060 1.00 0.00 C ATOM 343 CG LYS A 21 -6.451 2.060 11.986 1.00 0.00 C ATOM 344 CD LYS A 21 -5.912 3.477 12.096 1.00 0.00 C ATOM 345 CE LYS A 21 -4.669 3.532 12.971 1.00 0.00 C ATOM 346 NZ LYS A 21 -4.084 4.899 13.026 1.00 0.00 N ATOM 0 H LYS A 21 -6.531 0.358 9.581 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.303 0.083 11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.386 2.431 10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.453 2.614 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.730 1.697 12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.669 1.399 11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.676 3.856 11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.680 4.129 12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.921 3.205 13.980 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.925 2.835 12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.239 4.891 13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.819 5.202 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.785 5.561 13.417 1.00 0.00 H new ATOM 360 N ALA A 22 -9.610 0.550 8.853 1.00 0.00 N ATOM 361 CA ALA A 22 -10.850 0.697 8.102 1.00 0.00 C ATOM 362 C ALA A 22 -11.626 -0.613 8.058 1.00 0.00 C ATOM 363 O ALA A 22 -12.761 -0.658 7.584 1.00 0.00 O ATOM 364 CB ALA A 22 -10.560 1.192 6.692 1.00 0.00 C ATOM 0 H ALA A 22 -8.789 0.363 8.278 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.468 1.435 8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.496 1.297 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.058 2.158 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.918 0.476 6.180 1.00 0.00 H new ATOM 370 N GLY A 23 -11.006 -1.679 8.554 1.00 0.00 N ATOM 371 CA GLY A 23 -11.658 -2.982 8.623 1.00 0.00 C ATOM 372 C GLY A 23 -11.428 -3.781 7.347 1.00 0.00 C ATOM 373 O GLY A 23 -12.171 -4.715 7.046 1.00 0.00 O ATOM 0 H GLY A 23 -10.052 -1.666 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.274 -3.539 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.728 -2.848 8.784 1.00 0.00 H new ATOM 377 N ILE A 24 -10.396 -3.408 6.599 1.00 0.00 N ATOM 378 CA ILE A 24 -10.054 -4.102 5.363 1.00 0.00 C ATOM 379 C ILE A 24 -9.125 -5.280 5.631 1.00 0.00 C ATOM 380 O ILE A 24 -8.063 -5.121 6.234 1.00 0.00 O ATOM 381 CB ILE A 24 -9.388 -3.155 4.348 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.305 -1.968 4.045 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.040 -3.904 3.072 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.624 -2.359 3.419 1.00 0.00 C ATOM 0 H ILE A 24 -9.780 -2.627 6.827 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.989 -4.470 4.941 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.465 -2.773 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.499 -1.426 4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.786 -1.281 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.570 -3.220 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.351 -4.716 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.949 -4.313 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.218 -1.464 3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.441 -2.874 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.165 -3.021 4.095 1.00 0.00 H new ATOM 396 N THR A 25 -9.532 -6.462 5.181 1.00 0.00 N ATOM 397 CA THR A 25 -8.767 -7.678 5.425 1.00 0.00 C ATOM 398 C THR A 25 -8.443 -8.396 4.121 1.00 0.00 C ATOM 399 O THR A 25 -8.109 -9.582 4.119 1.00 0.00 O ATOM 400 CB THR A 25 -9.523 -8.645 6.356 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.792 -8.974 5.778 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.742 -8.009 7.720 1.00 0.00 C ATOM 0 H THR A 25 -10.388 -6.603 4.645 1.00 0.00 H new ATOM 0 HA THR A 25 -7.839 -7.372 5.909 1.00 0.00 H new ATOM 0 HB THR A 25 -8.926 -9.549 6.479 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.271 -9.590 6.370 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.277 -8.706 8.365 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.778 -7.768 8.168 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.328 -7.097 7.606 1.00 0.00 H new ATOM 410 N SER A 26 -8.543 -7.672 3.012 1.00 0.00 N ATOM 411 CA SER A 26 -8.311 -8.251 1.695 1.00 0.00 C ATOM 412 C SER A 26 -6.827 -8.263 1.352 1.00 0.00 C ATOM 413 O SER A 26 -6.270 -7.251 0.924 1.00 0.00 O ATOM 414 CB SER A 26 -9.090 -7.486 0.643 1.00 0.00 C ATOM 415 OG SER A 26 -8.831 -7.957 -0.652 1.00 0.00 O ATOM 0 H SER A 26 -8.784 -6.681 2.999 1.00 0.00 H new ATOM 0 HA SER A 26 -8.659 -9.284 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.157 -7.568 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.834 -6.428 0.701 1.00 0.00 H new ATOM 0 HG SER A 26 -9.556 -7.682 -1.251 1.00 0.00 H new ATOM 421 N ASP A 27 -6.190 -9.413 1.540 1.00 0.00 N ATOM 422 CA ASP A 27 -4.781 -9.574 1.201 1.00 0.00 C ATOM 423 C ASP A 27 -4.560 -9.463 -0.302 1.00 0.00 C ATOM 424 O ASP A 27 -3.460 -9.148 -0.756 1.00 0.00 O ATOM 425 CB ASP A 27 -4.256 -10.919 1.712 1.00 0.00 C ATOM 426 CG ASP A 27 -4.072 -10.990 3.222 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.119 -9.962 3.855 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.044 -12.078 3.746 1.00 0.00 O ATOM 0 H ASP A 27 -6.628 -10.249 1.926 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.228 -8.771 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.946 -11.705 1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.300 -11.128 1.232 1.00 0.00 H new ATOM 433 N TYR A 28 -5.613 -9.724 -1.070 1.00 0.00 N ATOM 434 CA TYR A 28 -5.550 -9.605 -2.522 1.00 0.00 C ATOM 435 C TYR A 28 -5.055 -8.227 -2.941 1.00 0.00 C ATOM 436 O TYR A 28 -4.072 -8.105 -3.672 1.00 0.00 O ATOM 437 CB TYR A 28 -6.921 -9.881 -3.142 1.00 0.00 C ATOM 438 CG TYR A 28 -6.963 -9.697 -4.642 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.505 -10.690 -5.496 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.465 -8.531 -5.202 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.541 -10.526 -6.867 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.507 -8.357 -6.571 1.00 0.00 C ATOM 443 CZ TYR A 28 -7.044 -9.358 -7.402 1.00 0.00 C ATOM 444 OH TYR A 28 -7.084 -9.190 -8.766 1.00 0.00 O ATOM 0 H TYR A 28 -6.521 -10.019 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.840 -10.348 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.218 -10.902 -2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.656 -9.219 -2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.113 -11.607 -5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.829 -7.746 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.177 -11.308 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.900 -7.442 -6.990 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.468 -8.313 -8.976 1.00 0.00 H new ATOM 454 N TYR A 29 -5.742 -7.190 -2.474 1.00 0.00 N ATOM 455 CA TYR A 29 -5.394 -5.819 -2.826 1.00 0.00 C ATOM 456 C TYR A 29 -4.122 -5.373 -2.116 1.00 0.00 C ATOM 457 O TYR A 29 -3.379 -4.531 -2.621 1.00 0.00 O ATOM 458 CB TYR A 29 -6.545 -4.870 -2.486 1.00 0.00 C ATOM 459 CG TYR A 29 -7.784 -5.082 -3.329 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.781 -4.788 -4.684 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.952 -5.573 -2.766 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.908 -4.979 -5.458 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.086 -5.769 -3.530 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.060 -5.470 -4.878 1.00 0.00 C ATOM 465 OH TYR A 29 -11.186 -5.662 -5.644 1.00 0.00 O ATOM 0 H TYR A 29 -6.544 -7.274 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.214 -5.787 -3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.807 -4.994 -1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.204 -3.842 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.882 -4.403 -5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.976 -5.806 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.888 -4.745 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.987 -6.154 -3.076 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.908 -6.014 -5.082 1.00 0.00 H new ATOM 475 N PHE A 30 -3.876 -5.942 -0.941 1.00 0.00 N ATOM 476 CA PHE A 30 -2.628 -5.713 -0.224 1.00 0.00 C ATOM 477 C PHE A 30 -1.433 -6.217 -1.025 1.00 0.00 C ATOM 478 O PHE A 30 -0.317 -5.723 -0.870 1.00 0.00 O ATOM 479 CB PHE A 30 -2.666 -6.390 1.147 1.00 0.00 C ATOM 480 CG PHE A 30 -3.703 -5.822 2.074 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.632 -4.900 1.618 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.750 -6.210 3.405 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.585 -4.376 2.469 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.703 -5.688 4.259 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.620 -4.771 3.792 1.00 0.00 C ATOM 0 H PHE A 30 -4.526 -6.567 -0.464 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.516 -4.638 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.857 -7.454 1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.685 -6.299 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.610 -4.588 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.034 -6.928 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.302 -3.658 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.729 -5.999 5.293 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.364 -4.362 4.459 1.00 0.00 H new ATOM 495 N ASP A 31 -1.675 -7.205 -1.880 1.00 0.00 N ATOM 496 CA ASP A 31 -0.644 -7.709 -2.779 1.00 0.00 C ATOM 497 C ASP A 31 -0.295 -6.682 -3.848 1.00 0.00 C ATOM 498 O ASP A 31 0.859 -6.572 -4.264 1.00 0.00 O ATOM 499 CB ASP A 31 -1.096 -9.017 -3.434 1.00 0.00 C ATOM 500 CG ASP A 31 0.001 -9.754 -4.191 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.971 -10.128 -3.576 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.208 -10.075 -5.336 1.00 0.00 O ATOM 0 H ASP A 31 -2.577 -7.673 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 31 0.250 -7.901 -2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.494 -9.676 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.913 -8.801 -4.122 1.00 0.00 H new ATOM 507 N LEU A 32 -1.298 -5.931 -4.289 1.00 0.00 N ATOM 508 CA LEU A 32 -1.139 -5.034 -5.429 1.00 0.00 C ATOM 509 C LEU A 32 -0.133 -3.932 -5.126 1.00 0.00 C ATOM 510 O LEU A 32 0.618 -3.506 -6.003 1.00 0.00 O ATOM 511 CB LEU A 32 -2.494 -4.429 -5.819 1.00 0.00 C ATOM 512 CG LEU A 32 -3.274 -5.208 -6.886 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.551 -6.625 -6.400 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.573 -4.481 -7.198 1.00 0.00 C ATOM 0 H LEU A 32 -2.230 -5.925 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.756 -5.616 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.111 -4.353 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.330 -3.414 -6.180 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.680 -5.271 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.105 -7.170 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.607 -7.134 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.139 -6.587 -5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.127 -5.035 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.174 -4.406 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.350 -3.481 -7.570 1.00 0.00 H new ATOM 526 N ILE A 33 -0.124 -3.471 -3.880 1.00 0.00 N ATOM 527 CA ILE A 33 0.816 -2.443 -3.449 1.00 0.00 C ATOM 528 C ILE A 33 2.237 -2.988 -3.389 1.00 0.00 C ATOM 529 O ILE A 33 3.205 -2.227 -3.410 1.00 0.00 O ATOM 530 CB ILE A 33 0.437 -1.872 -2.070 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.459 -2.977 -1.010 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.933 -1.212 -2.127 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.957 -2.516 0.341 1.00 0.00 C ATOM 0 H ILE A 33 -0.758 -3.794 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 33 0.767 -1.643 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 33 1.172 -1.116 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.547 -3.380 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.092 -3.792 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.186 -0.814 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.916 -0.400 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.680 -1.949 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.944 -3.353 1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.976 -2.140 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.311 -1.722 0.715 1.00 0.00 H new ATOM 545 N ASN A 34 2.357 -4.309 -3.314 1.00 0.00 N ATOM 546 CA ASN A 34 3.654 -4.967 -3.413 1.00 0.00 C ATOM 547 C ASN A 34 4.136 -5.021 -4.857 1.00 0.00 C ATOM 548 O ASN A 34 5.331 -4.900 -5.128 1.00 0.00 O ATOM 549 CB ASN A 34 3.613 -6.365 -2.822 1.00 0.00 C ATOM 550 CG ASN A 34 3.476 -6.384 -1.325 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.840 -5.425 -0.635 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.031 -7.504 -0.814 1.00 0.00 N ATOM 0 H ASN A 34 1.571 -4.946 -3.185 1.00 0.00 H new ATOM 0 HA ASN A 34 4.361 -4.372 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.778 -6.911 -3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.524 -6.895 -3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.972 -7.615 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.743 -8.266 -1.428 1.00 0.00 H new ATOM 559 N LYS A 35 3.201 -5.202 -5.782 1.00 0.00 N ATOM 560 CA LYS A 35 3.482 -5.027 -7.203 1.00 0.00 C ATOM 561 C LYS A 35 3.788 -3.571 -7.528 1.00 0.00 C ATOM 562 O LYS A 35 4.413 -3.271 -8.545 1.00 0.00 O ATOM 563 CB LYS A 35 2.305 -5.519 -8.046 1.00 0.00 C ATOM 564 CG LYS A 35 2.142 -7.033 -8.080 1.00 0.00 C ATOM 565 CD LYS A 35 0.960 -7.444 -8.943 1.00 0.00 C ATOM 566 CE LYS A 35 0.813 -8.957 -9.000 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.341 -9.374 -9.841 1.00 0.00 N ATOM 0 H LYS A 35 2.239 -5.471 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 35 4.363 -5.622 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.387 -5.076 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.429 -5.156 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.053 -7.490 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.002 -7.408 -7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.046 -7.003 -8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.090 -7.051 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.728 -9.395 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.685 -9.347 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.405 -10.412 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.218 -8.978 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.208 -9.024 -10.811 1.00 0.00 H new ATOM 581 N ALA A 36 3.345 -2.670 -6.659 1.00 0.00 N ATOM 582 CA ALA A 36 3.504 -1.239 -6.889 1.00 0.00 C ATOM 583 C ALA A 36 4.952 -0.809 -6.701 1.00 0.00 C ATOM 584 O ALA A 36 5.295 -0.159 -5.713 1.00 0.00 O ATOM 585 CB ALA A 36 2.589 -0.448 -5.967 1.00 0.00 C ATOM 0 H ALA A 36 2.872 -2.906 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 36 3.224 -1.031 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.720 0.618 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.552 -0.725 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.838 -0.670 -4.929 1.00 0.00 H new ATOM 591 N LYS A 37 5.802 -1.174 -7.656 1.00 0.00 N ATOM 592 CA LYS A 37 7.223 -0.854 -7.581 1.00 0.00 C ATOM 593 C LYS A 37 7.447 0.652 -7.550 1.00 0.00 C ATOM 594 O LYS A 37 8.575 1.118 -7.390 1.00 0.00 O ATOM 595 CB LYS A 37 7.974 -1.474 -8.761 1.00 0.00 C ATOM 596 CG LYS A 37 9.490 -1.470 -8.612 1.00 0.00 C ATOM 597 CD LYS A 37 10.157 -2.258 -9.729 1.00 0.00 C ATOM 598 CE LYS A 37 11.659 -2.367 -9.511 1.00 0.00 C ATOM 599 NZ LYS A 37 12.316 -3.195 -10.558 1.00 0.00 N ATOM 0 H LYS A 37 5.531 -1.692 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 37 7.612 -1.275 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.636 -2.502 -8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.709 -0.934 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.856 -0.443 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.764 -1.899 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.722 -3.256 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.961 -1.774 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.098 -1.369 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.852 -2.802 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.338 -3.243 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.916 -4.155 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.154 -2.767 -11.492 1.00 0.00 H new ATOM 613 N THR A 38 6.366 1.410 -7.705 1.00 0.00 N ATOM 614 CA THR A 38 6.404 2.851 -7.489 1.00 0.00 C ATOM 615 C THR A 38 5.637 3.240 -6.233 1.00 0.00 C ATOM 616 O THR A 38 4.706 2.547 -5.823 1.00 0.00 O ATOM 617 CB THR A 38 5.822 3.618 -8.692 1.00 0.00 C ATOM 618 OG1 THR A 38 4.418 3.352 -8.797 1.00 0.00 O ATOM 619 CG2 THR A 38 6.513 3.195 -9.979 1.00 0.00 C ATOM 0 H THR A 38 5.452 1.049 -7.980 1.00 0.00 H new ATOM 0 HA THR A 38 7.453 3.123 -7.369 1.00 0.00 H new ATOM 0 HB THR A 38 5.986 4.685 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.049 3.842 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.089 3.747 -10.818 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.580 3.408 -9.906 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.366 2.126 -10.136 1.00 0.00 H new ATOM 627 N VAL A 39 6.031 4.354 -5.625 1.00 0.00 N ATOM 628 CA VAL A 39 5.321 4.890 -4.470 1.00 0.00 C ATOM 629 C VAL A 39 3.931 5.379 -4.857 1.00 0.00 C ATOM 630 O VAL A 39 2.971 5.211 -4.105 1.00 0.00 O ATOM 631 CB VAL A 39 6.098 6.047 -3.816 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.257 6.710 -2.735 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.411 5.545 -3.233 1.00 0.00 C ATOM 0 H VAL A 39 6.840 4.904 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 39 5.229 4.075 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 39 6.321 6.788 -4.583 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.822 7.526 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.341 7.104 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.004 5.976 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.947 6.376 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.207 4.785 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.021 5.114 -4.027 1.00 0.00 H new ATOM 643 N GLU A 40 3.830 5.986 -6.035 1.00 0.00 N ATOM 644 CA GLU A 40 2.556 6.500 -6.525 1.00 0.00 C ATOM 645 C GLU A 40 1.555 5.373 -6.745 1.00 0.00 C ATOM 646 O GLU A 40 0.355 5.545 -6.529 1.00 0.00 O ATOM 647 CB GLU A 40 2.759 7.284 -7.823 1.00 0.00 C ATOM 648 CG GLU A 40 3.482 8.613 -7.649 1.00 0.00 C ATOM 649 CD GLU A 40 3.738 9.272 -8.975 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.422 8.684 -9.982 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.144 10.411 -8.982 1.00 0.00 O ATOM 0 H GLU A 40 4.616 6.134 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 40 2.153 7.170 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.323 6.666 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.786 7.471 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.886 9.275 -7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.428 8.450 -7.133 1.00 0.00 H new ATOM 658 N GLY A 41 2.056 4.219 -7.174 1.00 0.00 N ATOM 659 CA GLY A 41 1.216 3.042 -7.358 1.00 0.00 C ATOM 660 C GLY A 41 0.548 2.631 -6.052 1.00 0.00 C ATOM 661 O GLY A 41 -0.656 2.383 -6.011 1.00 0.00 O ATOM 0 H GLY A 41 3.040 4.074 -7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.454 3.250 -8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.820 2.217 -7.736 1.00 0.00 H new ATOM 665 N VAL A 42 1.339 2.562 -4.986 1.00 0.00 N ATOM 666 CA VAL A 42 0.845 2.095 -3.696 1.00 0.00 C ATOM 667 C VAL A 42 -0.303 2.964 -3.198 1.00 0.00 C ATOM 668 O VAL A 42 -1.291 2.459 -2.667 1.00 0.00 O ATOM 669 CB VAL A 42 1.962 2.081 -2.635 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.386 1.776 -1.260 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.030 1.061 -3.001 1.00 0.00 C ATOM 0 H VAL A 42 2.325 2.824 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 42 0.487 1.077 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 42 2.422 3.069 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.189 1.770 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.655 2.539 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.901 0.800 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.812 1.064 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.582 0.069 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.463 1.318 -3.968 1.00 0.00 H new ATOM 681 N ASN A 43 -0.166 4.275 -3.374 1.00 0.00 N ATOM 682 CA ASN A 43 -1.208 5.214 -2.978 1.00 0.00 C ATOM 683 C ASN A 43 -2.407 5.134 -3.913 1.00 0.00 C ATOM 684 O ASN A 43 -3.556 5.156 -3.471 1.00 0.00 O ATOM 685 CB ASN A 43 -0.681 6.635 -2.919 1.00 0.00 C ATOM 686 CG ASN A 43 -1.672 7.627 -2.377 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.103 7.537 -1.222 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.097 8.525 -3.229 1.00 0.00 N ATOM 0 H ASN A 43 0.658 4.711 -3.789 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.533 4.930 -1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.215 6.655 -2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.382 6.944 -3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.816 9.192 -2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.709 8.558 -4.172 1.00 0.00 H new ATOM 695 N ALA A 44 -2.133 5.042 -5.211 1.00 0.00 N ATOM 696 CA ALA A 44 -3.189 4.995 -6.215 1.00 0.00 C ATOM 697 C ALA A 44 -4.030 3.733 -6.072 1.00 0.00 C ATOM 698 O ALA A 44 -5.259 3.784 -6.130 1.00 0.00 O ATOM 699 CB ALA A 44 -2.594 5.083 -7.613 1.00 0.00 C ATOM 0 H ALA A 44 -1.188 4.999 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.843 5.853 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.394 5.047 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.046 6.020 -7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.915 4.246 -7.773 1.00 0.00 H new ATOM 705 N LEU A 45 -3.361 2.601 -5.883 1.00 0.00 N ATOM 706 CA LEU A 45 -4.047 1.328 -5.700 1.00 0.00 C ATOM 707 C LEU A 45 -4.890 1.332 -4.432 1.00 0.00 C ATOM 708 O LEU A 45 -6.078 1.008 -4.463 1.00 0.00 O ATOM 709 CB LEU A 45 -3.030 0.179 -5.660 1.00 0.00 C ATOM 710 CG LEU A 45 -2.175 0.020 -6.922 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.811 -0.554 -6.560 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.894 -0.882 -7.915 1.00 0.00 C ATOM 0 H LEU A 45 -2.343 2.539 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.717 1.181 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.367 0.331 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.566 -0.754 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.023 0.996 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.211 -0.663 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.305 0.119 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.940 -1.529 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.285 -0.994 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.059 -1.860 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.853 -0.438 -8.181 1.00 0.00 H new ATOM 724 N LYS A 46 -4.271 1.704 -3.317 1.00 0.00 N ATOM 725 CA LYS A 46 -4.961 1.739 -2.033 1.00 0.00 C ATOM 726 C LYS A 46 -6.133 2.711 -2.062 1.00 0.00 C ATOM 727 O LYS A 46 -7.161 2.478 -1.426 1.00 0.00 O ATOM 728 CB LYS A 46 -3.990 2.121 -0.914 1.00 0.00 C ATOM 729 CG LYS A 46 -4.471 1.764 0.486 1.00 0.00 C ATOM 730 CD LYS A 46 -3.819 2.648 1.538 1.00 0.00 C ATOM 731 CE LYS A 46 -4.289 4.091 1.418 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.592 4.985 2.382 1.00 0.00 N ATOM 0 H LYS A 46 -3.292 1.986 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.352 0.740 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.035 1.627 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.807 3.195 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.554 1.871 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.244 0.719 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.055 2.268 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.735 2.606 1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.114 4.446 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.364 4.138 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.462 5.924 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.162 5.075 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.663 4.582 2.620 1.00 0.00 H new ATOM 746 N ASP A 47 -5.973 3.800 -2.805 1.00 0.00 N ATOM 747 CA ASP A 47 -6.960 4.873 -2.814 1.00 0.00 C ATOM 748 C ASP A 47 -8.368 4.326 -3.010 1.00 0.00 C ATOM 749 O ASP A 47 -9.316 4.782 -2.371 1.00 0.00 O ATOM 750 CB ASP A 47 -6.634 5.892 -3.909 1.00 0.00 C ATOM 751 CG ASP A 47 -7.437 7.184 -3.824 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.313 7.874 -2.839 1.00 0.00 O ATOM 753 OD2 ASP A 47 -8.041 7.549 -4.803 1.00 0.00 O ATOM 0 H ASP A 47 -5.168 3.963 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.920 5.370 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.572 6.134 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.811 5.432 -4.881 1.00 0.00 H new ATOM 758 N GLU A 48 -8.497 3.347 -3.897 1.00 0.00 N ATOM 759 CA GLU A 48 -9.785 2.713 -4.158 1.00 0.00 C ATOM 760 C GLU A 48 -10.292 1.971 -2.928 1.00 0.00 C ATOM 761 O GLU A 48 -11.490 1.960 -2.647 1.00 0.00 O ATOM 762 CB GLU A 48 -9.681 1.755 -5.346 1.00 0.00 C ATOM 763 CG GLU A 48 -9.486 2.439 -6.691 1.00 0.00 C ATOM 764 CD GLU A 48 -9.288 1.434 -7.792 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.240 0.264 -7.499 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.299 1.826 -8.935 1.00 0.00 O ATOM 0 H GLU A 48 -7.725 2.974 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.500 3.499 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.848 1.073 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.586 1.149 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.353 3.060 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.623 3.103 -6.642 1.00 0.00 H new ATOM 773 N ILE A 49 -9.373 1.348 -2.198 1.00 0.00 N ATOM 774 CA ILE A 49 -9.729 0.571 -1.017 1.00 0.00 C ATOM 775 C ILE A 49 -10.039 1.478 0.166 1.00 0.00 C ATOM 776 O ILE A 49 -10.994 1.244 0.907 1.00 0.00 O ATOM 777 CB ILE A 49 -8.606 -0.406 -0.623 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.269 -1.332 -1.795 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.009 -1.215 0.600 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.412 -2.226 -2.215 1.00 0.00 C ATOM 0 H ILE A 49 -8.374 1.366 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.620 -0.001 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.716 0.171 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.962 -0.726 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.416 -1.953 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.204 -1.900 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.201 -0.541 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.912 -1.784 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.097 -2.852 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.706 -2.859 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.260 -1.613 -2.521 1.00 0.00 H new ATOM 792 N LEU A 50 -9.226 2.514 0.341 1.00 0.00 N ATOM 793 CA LEU A 50 -9.413 3.459 1.434 1.00 0.00 C ATOM 794 C LEU A 50 -10.728 4.214 1.292 1.00 0.00 C ATOM 795 O LEU A 50 -11.383 4.531 2.285 1.00 0.00 O ATOM 796 CB LEU A 50 -8.237 4.443 1.492 1.00 0.00 C ATOM 797 CG LEU A 50 -8.275 5.438 2.659 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.151 4.696 3.982 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.150 6.450 2.500 1.00 0.00 C ATOM 0 H LEU A 50 -8.430 2.720 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.449 2.894 2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.310 3.873 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.207 5.004 0.558 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.227 5.968 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.179 5.411 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.978 3.993 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.207 4.152 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.177 7.157 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.192 5.931 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.275 6.988 1.560 1.00 0.00 H new ATOM 811 N LYS A 51 -11.110 4.499 0.052 1.00 0.00 N ATOM 812 CA LYS A 51 -12.346 5.222 -0.222 1.00 0.00 C ATOM 813 C LYS A 51 -13.468 4.266 -0.608 1.00 0.00 C ATOM 814 O LYS A 51 -14.489 4.682 -1.155 1.00 0.00 O ATOM 815 CB LYS A 51 -12.130 6.253 -1.330 1.00 0.00 C ATOM 816 CG LYS A 51 -11.168 7.376 -0.965 1.00 0.00 C ATOM 817 CD LYS A 51 -11.034 8.381 -2.098 1.00 0.00 C ATOM 818 CE LYS A 51 -10.095 9.518 -1.724 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.932 10.494 -2.835 1.00 0.00 N ATOM 0 H LYS A 51 -10.580 4.240 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.638 5.741 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.754 5.742 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.093 6.688 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.522 7.883 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.189 6.957 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.661 7.878 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.016 8.785 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.481 10.032 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.121 9.110 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.285 11.252 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.540 10.010 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.857 10.903 -3.076 1.00 0.00 H new ATOM 833 N ALA A 52 -13.273 2.984 -0.320 1.00 0.00 N ATOM 834 CA ALA A 52 -14.272 1.968 -0.629 1.00 0.00 C ATOM 835 C ALA A 52 -15.541 2.178 0.187 1.00 0.00 C ATOM 836 O ALA A 52 -16.345 3.002 -0.155 1.00 0.00 O ATOM 837 CB ALA A 52 -13.706 0.577 -0.385 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.738 1.519 1.170 1.00 0.00 O ATOM 0 H ALA A 52 -12.431 2.623 0.128 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.532 2.060 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.464 -0.171 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.834 0.422 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.414 0.481 0.661 1.00 0.00 H new