USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 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 24 HIS : no HD1:sc= -1.52 K(o=-0.34,f=0.56) USER MOD Set 1.2: A 25 THR OG1 : rot 47:sc= 1.18 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -40:sc= 1.14 USER MOD Single : A 19 GLN : amide:sc= -0.952 X(o=-0.95,f=-0.87) USER MOD Single : A 21 THR OG1 : rot -102:sc= 0.133 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.34) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.335 2.998 0.669 1.00 43.04 N ATOM 2 CA LYS A 1 2.417 2.642 -0.242 1.00 51.22 C ATOM 3 C LYS A 1 1.941 2.674 -1.691 1.00 11.00 C ATOM 4 O LYS A 1 1.744 1.630 -2.314 1.00 45.40 O ATOM 5 CB LYS A 1 2.960 1.252 0.097 1.00 42.32 C ATOM 6 CG LYS A 1 3.920 1.245 1.274 1.00 34.24 C ATOM 7 CD LYS A 1 5.228 0.557 0.923 1.00 2.11 C ATOM 8 CE LYS A 1 6.218 1.528 0.299 1.00 4.40 C ATOM 9 NZ LYS A 1 7.574 1.401 0.901 1.00 5.41 N ATOM 0 H1 LYS A 1 1.683 2.969 1.649 1.00 43.04 H new ATOM 0 H2 LYS A 1 0.997 3.957 0.449 1.00 43.04 H new ATOM 0 H3 LYS A 1 0.552 2.322 0.559 1.00 43.04 H new ATOM 0 HA LYS A 1 3.214 3.376 -0.124 1.00 51.22 H new ATOM 0 HB2 LYS A 1 2.124 0.588 0.317 1.00 42.32 H new ATOM 0 HB3 LYS A 1 3.468 0.846 -0.778 1.00 42.32 H new ATOM 0 HG2 LYS A 1 4.120 2.270 1.588 1.00 34.24 H new ATOM 0 HG3 LYS A 1 3.456 0.737 2.120 1.00 34.24 H new ATOM 0 HD2 LYS A 1 5.663 0.120 1.822 1.00 2.11 H new ATOM 0 HD3 LYS A 1 5.035 -0.263 0.231 1.00 2.11 H new ATOM 0 HE2 LYS A 1 6.278 1.346 -0.774 1.00 4.40 H new ATOM 0 HE3 LYS A 1 5.857 2.548 0.429 1.00 4.40 H new ATOM 0 HZ1 LYS A 1 8.220 2.080 0.449 1.00 5.41 H new ATOM 0 HZ2 LYS A 1 7.521 1.600 1.920 1.00 5.41 H new ATOM 0 HZ3 LYS A 1 7.930 0.435 0.755 1.00 5.41 H new ATOM 23 N LYS A 2 1.758 3.878 -2.223 1.00 23.04 N ATOM 24 CA LYS A 2 1.308 4.047 -3.599 1.00 62.22 C ATOM 25 C LYS A 2 2.261 4.949 -4.377 1.00 23.05 C ATOM 26 O LYS A 2 2.045 6.157 -4.477 1.00 35.32 O ATOM 27 CB LYS A 2 -0.104 4.635 -3.627 1.00 74.10 C ATOM 28 CG LYS A 2 -1.201 3.585 -3.579 1.00 13.41 C ATOM 29 CD LYS A 2 -2.533 4.149 -4.044 1.00 15.42 C ATOM 30 CE LYS A 2 -3.700 3.323 -3.525 1.00 72.21 C ATOM 31 NZ LYS A 2 -4.762 3.155 -4.555 1.00 72.33 N ATOM 0 H LYS A 2 1.915 4.752 -1.721 1.00 23.04 H new ATOM 0 HA LYS A 2 1.296 3.066 -4.074 1.00 62.22 H new ATOM 0 HB2 LYS A 2 -0.223 5.312 -2.781 1.00 74.10 H new ATOM 0 HB3 LYS A 2 -0.222 5.231 -4.532 1.00 74.10 H new ATOM 0 HG2 LYS A 2 -0.924 2.739 -4.208 1.00 13.41 H new ATOM 0 HG3 LYS A 2 -1.300 3.207 -2.561 1.00 13.41 H new ATOM 0 HD2 LYS A 2 -2.633 5.178 -3.700 1.00 15.42 H new ATOM 0 HD3 LYS A 2 -2.559 4.173 -5.133 1.00 15.42 H new ATOM 0 HE2 LYS A 2 -3.340 2.343 -3.211 1.00 72.21 H new ATOM 0 HE3 LYS A 2 -4.122 3.805 -2.643 1.00 72.21 H new ATOM 0 HZ1 LYS A 2 -5.539 2.587 -4.163 1.00 72.33 H new ATOM 0 HZ2 LYS A 2 -5.124 4.089 -4.836 1.00 72.33 H new ATOM 0 HZ3 LYS A 2 -4.366 2.672 -5.387 1.00 72.33 H new ATOM 45 N ARG A 3 3.316 4.355 -4.926 1.00 35.32 N ATOM 46 CA ARG A 3 4.301 5.105 -5.694 1.00 42.25 C ATOM 47 C ARG A 3 4.179 4.796 -7.184 1.00 23.03 C ATOM 48 O ARG A 3 4.510 5.627 -8.030 1.00 12.32 O ATOM 49 CB ARG A 3 5.715 4.778 -5.209 1.00 15.42 C ATOM 50 CG ARG A 3 6.777 5.723 -5.747 1.00 20.31 C ATOM 51 CD ARG A 3 7.398 6.555 -4.635 1.00 74.54 C ATOM 52 NE ARG A 3 8.770 6.947 -4.946 1.00 75.03 N ATOM 53 CZ ARG A 3 9.528 7.674 -4.133 1.00 60.14 C ATOM 54 NH1 ARG A 3 9.051 8.085 -2.967 1.00 33.02 N ATOM 55 NH2 ARG A 3 10.767 7.991 -4.487 1.00 22.31 N ATOM 0 H ARG A 3 3.510 3.356 -4.853 1.00 35.32 H new ATOM 0 HA ARG A 3 4.109 6.167 -5.543 1.00 42.25 H new ATOM 0 HB2 ARG A 3 5.732 4.808 -4.120 1.00 15.42 H new ATOM 0 HB3 ARG A 3 5.965 3.759 -5.504 1.00 15.42 H new ATOM 0 HG2 ARG A 3 7.555 5.149 -6.251 1.00 20.31 H new ATOM 0 HG3 ARG A 3 6.334 6.383 -6.493 1.00 20.31 H new ATOM 0 HD2 ARG A 3 6.795 7.448 -4.470 1.00 74.54 H new ATOM 0 HD3 ARG A 3 7.385 5.985 -3.706 1.00 74.54 H new ATOM 0 HE ARG A 3 9.168 6.646 -5.836 1.00 75.03 H new ATOM 0 HH11 ARG A 3 8.099 7.843 -2.692 1.00 33.02 H new ATOM 0 HH12 ARG A 3 9.636 8.643 -2.345 1.00 33.02 H new ATOM 0 HH21 ARG A 3 11.138 7.676 -5.384 1.00 22.31 H new ATOM 0 HH22 ARG A 3 11.349 8.549 -3.862 1.00 22.31 H new ATOM 69 N TYR A 4 3.704 3.596 -7.496 1.00 72.23 N ATOM 70 CA TYR A 4 3.541 3.176 -8.883 1.00 62.50 C ATOM 71 C TYR A 4 2.066 3.004 -9.231 1.00 14.21 C ATOM 72 O TYR A 4 1.699 2.139 -10.026 1.00 24.40 O ATOM 73 CB TYR A 4 4.291 1.866 -9.132 1.00 73.41 C ATOM 74 CG TYR A 4 4.923 1.781 -10.503 1.00 50.10 C ATOM 75 CD1 TYR A 4 4.187 1.359 -11.604 1.00 25.12 C ATOM 76 CD2 TYR A 4 6.256 2.122 -10.698 1.00 14.25 C ATOM 77 CE1 TYR A 4 4.761 1.279 -12.858 1.00 50.41 C ATOM 78 CE2 TYR A 4 6.837 2.047 -11.948 1.00 51.24 C ATOM 79 CZ TYR A 4 6.086 1.625 -13.025 1.00 53.04 C ATOM 80 OH TYR A 4 6.662 1.548 -14.273 1.00 35.42 O ATOM 0 H TYR A 4 3.425 2.897 -6.808 1.00 72.23 H new ATOM 0 HA TYR A 4 3.958 3.954 -9.523 1.00 62.50 H new ATOM 0 HB2 TYR A 4 5.068 1.752 -8.376 1.00 73.41 H new ATOM 0 HB3 TYR A 4 3.600 1.032 -9.007 1.00 73.41 H new ATOM 0 HD1 TYR A 4 3.149 1.089 -11.477 1.00 25.12 H new ATOM 0 HD2 TYR A 4 6.848 2.451 -9.857 1.00 14.25 H new ATOM 0 HE1 TYR A 4 4.176 0.947 -13.703 1.00 50.41 H new ATOM 0 HE2 TYR A 4 7.874 2.317 -12.082 1.00 51.24 H new ATOM 0 HH TYR A 4 7.600 1.827 -14.218 1.00 35.42 H new ATOM 90 N VAL A 5 1.222 3.837 -8.629 1.00 70.13 N ATOM 91 CA VAL A 5 -0.214 3.780 -8.875 1.00 40.45 C ATOM 92 C VAL A 5 -0.837 5.171 -8.816 1.00 21.40 C ATOM 93 O VAL A 5 -1.512 5.600 -9.751 1.00 32.12 O ATOM 94 CB VAL A 5 -0.923 2.868 -7.857 1.00 4.34 C ATOM 95 CG1 VAL A 5 -2.407 2.766 -8.173 1.00 62.54 C ATOM 96 CG2 VAL A 5 -0.277 1.491 -7.836 1.00 1.13 C ATOM 0 H VAL A 5 1.508 4.559 -7.968 1.00 70.13 H new ATOM 0 HA VAL A 5 -0.347 3.367 -9.875 1.00 40.45 H new ATOM 0 HB VAL A 5 -0.818 3.309 -6.866 1.00 4.34 H new ATOM 0 HG11 VAL A 5 -2.891 2.117 -7.443 1.00 62.54 H new ATOM 0 HG12 VAL A 5 -2.857 3.758 -8.132 1.00 62.54 H new ATOM 0 HG13 VAL A 5 -2.539 2.349 -9.172 1.00 62.54 H new ATOM 0 HG21 VAL A 5 -0.790 0.859 -7.111 1.00 1.13 H new ATOM 0 HG22 VAL A 5 -0.349 1.040 -8.826 1.00 1.13 H new ATOM 0 HG23 VAL A 5 0.772 1.586 -7.556 1.00 1.13 H new ATOM 106 N ALA A 6 -0.605 5.870 -7.710 1.00 44.21 N ATOM 107 CA ALA A 6 -1.141 7.214 -7.529 1.00 63.52 C ATOM 108 C ALA A 6 -0.122 8.271 -7.940 1.00 41.21 C ATOM 109 O ALA A 6 -0.179 9.412 -7.482 1.00 24.11 O ATOM 110 CB ALA A 6 -1.566 7.422 -6.083 1.00 75.44 C ATOM 0 H ALA A 6 -0.050 5.528 -6.926 1.00 44.21 H new ATOM 0 HA ALA A 6 -2.015 7.320 -8.172 1.00 63.52 H new ATOM 0 HB1 ALA A 6 -1.964 8.429 -5.962 1.00 75.44 H new ATOM 0 HB2 ALA A 6 -2.334 6.694 -5.821 1.00 75.44 H new ATOM 0 HB3 ALA A 6 -0.704 7.291 -5.428 1.00 75.44 H new ATOM 116 N MET A 7 0.809 7.884 -8.806 1.00 3.31 N ATOM 117 CA MET A 7 1.841 8.801 -9.278 1.00 73.44 C ATOM 118 C MET A 7 2.293 8.430 -10.687 1.00 41.02 C ATOM 119 O MET A 7 3.383 8.807 -11.119 1.00 73.43 O ATOM 120 CB MET A 7 3.038 8.790 -8.326 1.00 60.52 C ATOM 121 CG MET A 7 3.427 10.170 -7.822 1.00 53.05 C ATOM 122 SD MET A 7 5.018 10.177 -6.974 1.00 52.31 S ATOM 123 CE MET A 7 6.124 10.551 -8.332 1.00 51.33 C ATOM 0 H MET A 7 0.870 6.943 -9.195 1.00 3.31 H new ATOM 0 HA MET A 7 1.417 9.805 -9.304 1.00 73.44 H new ATOM 0 HB2 MET A 7 2.807 8.152 -7.473 1.00 60.52 H new ATOM 0 HB3 MET A 7 3.892 8.344 -8.835 1.00 60.52 H new ATOM 0 HG2 MET A 7 3.465 10.862 -8.663 1.00 53.05 H new ATOM 0 HG3 MET A 7 2.656 10.535 -7.143 1.00 53.05 H new ATOM 0 HE1 MET A 7 7.150 10.590 -7.966 1.00 51.33 H new ATOM 0 HE2 MET A 7 6.040 9.776 -9.094 1.00 51.33 H new ATOM 0 HE3 MET A 7 5.856 11.515 -8.764 1.00 51.33 H new ATOM 133 N VAL A 8 1.450 7.689 -11.399 1.00 53.43 N ATOM 134 CA VAL A 8 1.763 7.269 -12.760 1.00 32.33 C ATOM 135 C VAL A 8 0.669 7.696 -13.733 1.00 24.25 C ATOM 136 O VAL A 8 0.948 8.050 -14.879 1.00 30.44 O ATOM 137 CB VAL A 8 1.945 5.742 -12.847 1.00 73.31 C ATOM 138 CG1 VAL A 8 0.680 5.027 -12.395 1.00 65.54 C ATOM 139 CG2 VAL A 8 2.323 5.331 -14.262 1.00 71.31 C ATOM 0 H VAL A 8 0.545 7.367 -11.056 1.00 53.43 H new ATOM 0 HA VAL A 8 2.699 7.756 -13.035 1.00 32.33 H new ATOM 0 HB VAL A 8 2.756 5.451 -12.180 1.00 73.31 H new ATOM 0 HG11 VAL A 8 0.827 3.949 -12.463 1.00 65.54 H new ATOM 0 HG12 VAL A 8 0.458 5.298 -11.363 1.00 65.54 H new ATOM 0 HG13 VAL A 8 -0.152 5.321 -13.035 1.00 65.54 H new ATOM 0 HG21 VAL A 8 2.448 4.249 -14.306 1.00 71.31 H new ATOM 0 HG22 VAL A 8 1.535 5.634 -14.952 1.00 71.31 H new ATOM 0 HG23 VAL A 8 3.258 5.816 -14.544 1.00 71.31 H new ATOM 149 N ILE A 9 -0.575 7.661 -13.268 1.00 21.32 N ATOM 150 CA ILE A 9 -1.710 8.046 -14.097 1.00 34.24 C ATOM 151 C ILE A 9 -2.078 9.510 -13.880 1.00 23.12 C ATOM 152 O ILE A 9 -2.657 10.151 -14.756 1.00 52.13 O ATOM 153 CB ILE A 9 -2.943 7.170 -13.804 1.00 53.25 C ATOM 154 CG1 ILE A 9 -2.578 5.688 -13.903 1.00 22.34 C ATOM 155 CG2 ILE A 9 -4.073 7.508 -14.766 1.00 64.24 C ATOM 156 CD1 ILE A 9 -3.707 4.760 -13.513 1.00 31.14 C ATOM 0 H ILE A 9 -0.822 7.370 -12.322 1.00 21.32 H new ATOM 0 HA ILE A 9 -1.408 7.900 -15.134 1.00 34.24 H new ATOM 0 HB ILE A 9 -3.283 7.374 -12.789 1.00 53.25 H new ATOM 0 HG12 ILE A 9 -2.272 5.465 -14.925 1.00 22.34 H new ATOM 0 HG13 ILE A 9 -1.718 5.490 -13.263 1.00 22.34 H new ATOM 0 HG21 ILE A 9 -4.937 6.881 -14.547 1.00 64.24 H new ATOM 0 HG22 ILE A 9 -4.347 8.557 -14.651 1.00 64.24 H new ATOM 0 HG23 ILE A 9 -3.745 7.329 -15.790 1.00 64.24 H new ATOM 0 HD11 ILE A 9 -3.377 3.726 -13.607 1.00 31.14 H new ATOM 0 HD12 ILE A 9 -3.998 4.955 -12.481 1.00 31.14 H new ATOM 0 HD13 ILE A 9 -4.561 4.930 -14.169 1.00 31.14 H new ATOM 168 N TRP A 10 -1.735 10.032 -12.708 1.00 12.41 N ATOM 169 CA TRP A 10 -2.027 11.422 -12.376 1.00 54.44 C ATOM 170 C TRP A 10 -1.270 12.372 -13.298 1.00 14.52 C ATOM 171 O TRP A 10 -1.697 13.506 -13.524 1.00 32.34 O ATOM 172 CB TRP A 10 -1.663 11.708 -10.919 1.00 32.15 C ATOM 173 CG TRP A 10 -2.820 11.559 -9.977 1.00 70.12 C ATOM 174 CD1 TRP A 10 -3.392 12.541 -9.220 1.00 73.02 C ATOM 175 CD2 TRP A 10 -3.543 10.357 -9.692 1.00 34.30 C ATOM 176 NE1 TRP A 10 -4.428 12.022 -8.481 1.00 60.44 N ATOM 177 CE2 TRP A 10 -4.542 10.684 -8.754 1.00 24.05 C ATOM 178 CE3 TRP A 10 -3.446 9.036 -10.139 1.00 55.43 C ATOM 179 CZ2 TRP A 10 -5.434 9.738 -8.256 1.00 24.14 C ATOM 180 CZ3 TRP A 10 -4.332 8.099 -9.644 1.00 33.40 C ATOM 181 CH2 TRP A 10 -5.316 8.453 -8.711 1.00 22.22 C ATOM 0 H TRP A 10 -1.255 9.514 -11.972 1.00 12.41 H new ATOM 0 HA TRP A 10 -3.096 11.585 -12.514 1.00 54.44 H new ATOM 0 HB2 TRP A 10 -0.865 11.032 -10.612 1.00 32.15 H new ATOM 0 HB3 TRP A 10 -1.270 12.722 -10.843 1.00 32.15 H new ATOM 0 HD1 TRP A 10 -3.077 13.574 -9.204 1.00 73.02 H new ATOM 0 HE1 TRP A 10 -5.016 12.547 -7.834 1.00 60.44 H new ATOM 0 HE3 TRP A 10 -2.692 8.753 -10.858 1.00 55.43 H new ATOM 0 HZ2 TRP A 10 -6.192 10.009 -7.536 1.00 24.14 H new ATOM 0 HZ3 TRP A 10 -4.265 7.075 -9.982 1.00 33.40 H new ATOM 0 HH2 TRP A 10 -5.994 7.697 -8.344 1.00 22.22 H new ATOM 192 N LEU A 11 -0.146 11.905 -13.828 1.00 23.22 N ATOM 193 CA LEU A 11 0.671 12.714 -14.726 1.00 21.30 C ATOM 194 C LEU A 11 0.542 12.227 -16.166 1.00 25.12 C ATOM 195 O LEU A 11 0.736 12.993 -17.110 1.00 74.23 O ATOM 196 CB LEU A 11 2.137 12.672 -14.291 1.00 11.24 C ATOM 197 CG LEU A 11 2.394 12.792 -12.788 1.00 64.40 C ATOM 198 CD1 LEU A 11 2.937 11.484 -12.234 1.00 30.52 C ATOM 199 CD2 LEU A 11 3.357 13.935 -12.501 1.00 62.32 C ATOM 0 H LEU A 11 0.221 10.970 -13.652 1.00 23.22 H new ATOM 0 HA LEU A 11 0.313 13.742 -14.676 1.00 21.30 H new ATOM 0 HB2 LEU A 11 2.572 11.736 -14.640 1.00 11.24 H new ATOM 0 HB3 LEU A 11 2.668 13.479 -14.796 1.00 11.24 H new ATOM 0 HG LEU A 11 1.447 13.008 -12.293 1.00 64.40 H new ATOM 0 HD11 LEU A 11 3.114 11.588 -11.163 1.00 30.52 H new ATOM 0 HD12 LEU A 11 2.213 10.687 -12.407 1.00 30.52 H new ATOM 0 HD13 LEU A 11 3.874 11.238 -12.734 1.00 30.52 H new ATOM 0 HD21 LEU A 11 3.528 14.006 -11.427 1.00 62.32 H new ATOM 0 HD22 LEU A 11 4.304 13.749 -13.008 1.00 62.32 H new ATOM 0 HD23 LEU A 11 2.930 14.870 -12.862 1.00 62.32 H new ATOM 211 N TYR A 12 0.213 10.950 -16.326 1.00 3.02 N ATOM 212 CA TYR A 12 0.059 10.361 -17.651 1.00 32.25 C ATOM 213 C TYR A 12 -0.957 11.141 -18.479 1.00 11.41 C ATOM 214 O TYR A 12 -0.904 11.140 -19.709 1.00 12.33 O ATOM 215 CB TYR A 12 -0.377 8.899 -17.534 1.00 2.21 C ATOM 216 CG TYR A 12 -0.739 8.268 -18.859 1.00 73.21 C ATOM 217 CD1 TYR A 12 0.243 7.764 -19.703 1.00 33.12 C ATOM 218 CD2 TYR A 12 -2.064 8.174 -19.267 1.00 14.32 C ATOM 219 CE1 TYR A 12 -0.084 7.187 -20.915 1.00 30.03 C ATOM 220 CE2 TYR A 12 -2.401 7.598 -20.476 1.00 65.44 C ATOM 221 CZ TYR A 12 -1.407 7.106 -21.297 1.00 21.01 C ATOM 222 OH TYR A 12 -1.737 6.531 -22.503 1.00 24.33 O ATOM 0 H TYR A 12 0.048 10.303 -15.555 1.00 3.02 H new ATOM 0 HA TYR A 12 1.024 10.407 -18.156 1.00 32.25 H new ATOM 0 HB2 TYR A 12 0.427 8.324 -17.075 1.00 2.21 H new ATOM 0 HB3 TYR A 12 -1.235 8.837 -16.865 1.00 2.21 H new ATOM 0 HD1 TYR A 12 1.280 7.824 -19.406 1.00 33.12 H new ATOM 0 HD2 TYR A 12 -2.844 8.558 -18.627 1.00 14.32 H new ATOM 0 HE1 TYR A 12 0.692 6.802 -21.560 1.00 30.03 H new ATOM 0 HE2 TYR A 12 -3.436 7.533 -20.777 1.00 65.44 H new ATOM 0 HH TYR A 12 -2.710 6.552 -22.620 1.00 24.33 H new ATOM 232 N SER A 13 -1.882 11.808 -17.795 1.00 24.22 N ATOM 233 CA SER A 13 -2.913 12.591 -18.466 1.00 24.22 C ATOM 234 C SER A 13 -2.882 14.043 -17.999 1.00 21.01 C ATOM 235 O SER A 13 -3.890 14.747 -18.058 1.00 23.33 O ATOM 236 CB SER A 13 -4.294 11.988 -18.202 1.00 64.40 C ATOM 237 OG SER A 13 -5.307 12.723 -18.866 1.00 64.34 O ATOM 0 H SER A 13 -1.938 11.822 -16.777 1.00 24.22 H new ATOM 0 HA SER A 13 -2.713 12.567 -19.537 1.00 24.22 H new ATOM 0 HB2 SER A 13 -4.312 10.952 -18.539 1.00 64.40 H new ATOM 0 HB3 SER A 13 -4.491 11.978 -17.130 1.00 64.40 H new ATOM 0 HG SER A 13 -5.113 13.681 -18.800 1.00 64.34 H new ATOM 243 N ALA A 14 -1.717 14.484 -17.535 1.00 13.21 N ATOM 244 CA ALA A 14 -1.553 15.852 -17.060 1.00 13.34 C ATOM 245 C ALA A 14 -0.455 16.574 -17.833 1.00 1.22 C ATOM 246 O ALA A 14 -0.544 17.777 -18.081 1.00 72.20 O ATOM 247 CB ALA A 14 -1.245 15.860 -15.570 1.00 21.03 C ATOM 0 H ALA A 14 -0.873 13.914 -17.478 1.00 13.21 H new ATOM 0 HA ALA A 14 -2.489 16.384 -17.229 1.00 13.34 H new ATOM 0 HB1 ALA A 14 -1.125 16.888 -15.229 1.00 21.03 H new ATOM 0 HB2 ALA A 14 -2.065 15.391 -15.026 1.00 21.03 H new ATOM 0 HB3 ALA A 14 -0.324 15.307 -15.386 1.00 21.03 H new ATOM 253 N PHE A 15 0.581 15.833 -18.211 1.00 24.15 N ATOM 254 CA PHE A 15 1.699 16.403 -18.954 1.00 55.24 C ATOM 255 C PHE A 15 1.532 16.166 -20.453 1.00 11.25 C ATOM 256 O PHE A 15 2.059 16.918 -21.273 1.00 32.20 O ATOM 257 CB PHE A 15 3.020 15.799 -18.475 1.00 32.42 C ATOM 258 CG PHE A 15 3.913 16.785 -17.779 1.00 12.34 C ATOM 259 CD1 PHE A 15 4.551 17.787 -18.493 1.00 32.50 C ATOM 260 CD2 PHE A 15 4.115 16.711 -16.410 1.00 12.32 C ATOM 261 CE1 PHE A 15 5.373 18.696 -17.855 1.00 40.44 C ATOM 262 CE2 PHE A 15 4.935 17.619 -15.767 1.00 24.42 C ATOM 263 CZ PHE A 15 5.566 18.612 -16.491 1.00 23.44 C ATOM 0 H PHE A 15 0.670 14.836 -18.015 1.00 24.15 H new ATOM 0 HA PHE A 15 1.713 17.478 -18.772 1.00 55.24 H new ATOM 0 HB2 PHE A 15 2.807 14.972 -17.797 1.00 32.42 H new ATOM 0 HB3 PHE A 15 3.551 15.381 -19.331 1.00 32.42 H new ATOM 0 HD1 PHE A 15 4.404 17.858 -19.561 1.00 32.50 H new ATOM 0 HD2 PHE A 15 3.626 15.935 -15.839 1.00 12.32 H new ATOM 0 HE1 PHE A 15 5.864 19.472 -18.423 1.00 40.44 H new ATOM 0 HE2 PHE A 15 5.082 17.552 -14.699 1.00 24.42 H new ATOM 0 HZ PHE A 15 6.209 19.321 -15.991 1.00 23.44 H new ATOM 273 N ARG A 16 0.796 15.116 -20.801 1.00 71.11 N ATOM 274 CA ARG A 16 0.561 14.778 -22.200 1.00 11.13 C ATOM 275 C ARG A 16 -0.078 15.948 -22.942 1.00 0.42 C ATOM 276 O ARG A 16 0.076 16.086 -24.155 1.00 2.25 O ATOM 277 CB ARG A 16 -0.336 13.543 -22.304 1.00 40.24 C ATOM 278 CG ARG A 16 -0.657 13.143 -23.735 1.00 64.12 C ATOM 279 CD ARG A 16 -1.801 12.143 -23.791 1.00 14.51 C ATOM 280 NE ARG A 16 -1.508 11.025 -24.683 1.00 34.33 N ATOM 281 CZ ARG A 16 -0.629 10.070 -24.400 1.00 4.41 C ATOM 282 NH1 ARG A 16 0.040 10.099 -23.256 1.00 23.24 N ATOM 283 NH2 ARG A 16 -0.417 9.085 -25.263 1.00 30.34 N ATOM 0 H ARG A 16 0.352 14.485 -20.134 1.00 71.11 H new ATOM 0 HA ARG A 16 1.524 14.560 -22.662 1.00 11.13 H new ATOM 0 HB2 ARG A 16 0.151 12.707 -21.802 1.00 40.24 H new ATOM 0 HB3 ARG A 16 -1.268 13.735 -21.772 1.00 40.24 H new ATOM 0 HG2 ARG A 16 -0.919 14.030 -24.312 1.00 64.12 H new ATOM 0 HG3 ARG A 16 0.229 12.711 -24.200 1.00 64.12 H new ATOM 0 HD2 ARG A 16 -2.001 11.764 -22.789 1.00 14.51 H new ATOM 0 HD3 ARG A 16 -2.707 12.647 -24.127 1.00 14.51 H new ATOM 0 HE ARG A 16 -2.005 10.974 -25.572 1.00 34.33 H new ATOM 0 HH11 ARG A 16 -0.120 10.856 -22.591 1.00 23.24 H new ATOM 0 HH12 ARG A 16 0.714 9.365 -23.041 1.00 23.24 H new ATOM 0 HH21 ARG A 16 -0.929 9.060 -26.145 1.00 30.34 H new ATOM 0 HH22 ARG A 16 0.258 8.352 -25.045 1.00 30.34 H new ATOM 297 N GLY A 17 -0.797 16.789 -22.204 1.00 2.12 N ATOM 298 CA GLY A 17 -1.449 17.936 -22.809 1.00 23.13 C ATOM 299 C GLY A 17 -0.482 19.068 -23.096 1.00 30.40 C ATOM 300 O GLY A 17 -0.866 20.096 -23.654 1.00 33.42 O ATOM 0 H GLY A 17 -0.939 16.696 -21.198 1.00 2.12 H new ATOM 0 HA2 GLY A 17 -1.930 17.629 -23.738 1.00 23.13 H new ATOM 0 HA3 GLY A 17 -2.236 18.294 -22.146 1.00 23.13 H new ATOM 304 N VAL A 18 0.777 18.880 -22.713 1.00 10.12 N ATOM 305 CA VAL A 18 1.802 19.894 -22.932 1.00 32.22 C ATOM 306 C VAL A 18 2.812 19.437 -23.979 1.00 13.14 C ATOM 307 O VAL A 18 3.475 20.256 -24.613 1.00 43.52 O ATOM 308 CB VAL A 18 2.548 20.229 -21.627 1.00 33.04 C ATOM 309 CG1 VAL A 18 3.465 21.426 -21.828 1.00 31.42 C ATOM 310 CG2 VAL A 18 1.559 20.488 -20.500 1.00 0.11 C ATOM 0 H VAL A 18 1.112 18.035 -22.250 1.00 10.12 H new ATOM 0 HA VAL A 18 1.291 20.788 -23.290 1.00 32.22 H new ATOM 0 HB VAL A 18 3.163 19.373 -21.351 1.00 33.04 H new ATOM 0 HG11 VAL A 18 3.984 21.648 -20.895 1.00 31.42 H new ATOM 0 HG12 VAL A 18 4.196 21.198 -22.604 1.00 31.42 H new ATOM 0 HG13 VAL A 18 2.874 22.291 -22.129 1.00 31.42 H new ATOM 0 HG21 VAL A 18 2.103 20.723 -19.585 1.00 0.11 H new ATOM 0 HG22 VAL A 18 0.916 21.327 -20.766 1.00 0.11 H new ATOM 0 HG23 VAL A 18 0.948 19.599 -20.341 1.00 0.11 H new ATOM 320 N GLN A 19 2.922 18.124 -24.153 1.00 52.13 N ATOM 321 CA GLN A 19 3.852 17.558 -25.124 1.00 14.53 C ATOM 322 C GLN A 19 3.195 17.425 -26.494 1.00 15.44 C ATOM 323 O GLN A 19 3.257 16.369 -27.124 1.00 32.22 O ATOM 324 CB GLN A 19 4.349 16.192 -24.649 1.00 10.24 C ATOM 325 CG GLN A 19 3.242 15.161 -24.496 1.00 44.13 C ATOM 326 CD GLN A 19 3.329 14.055 -25.529 1.00 25.30 C ATOM 327 OE1 GLN A 19 4.343 13.362 -25.630 1.00 35.15 O ATOM 328 NE2 GLN A 19 2.265 13.882 -26.304 1.00 12.53 N ATOM 0 H GLN A 19 2.380 17.433 -23.635 1.00 52.13 H new ATOM 0 HA GLN A 19 4.701 18.235 -25.213 1.00 14.53 H new ATOM 0 HB2 GLN A 19 5.088 15.817 -25.357 1.00 10.24 H new ATOM 0 HB3 GLN A 19 4.857 16.312 -23.692 1.00 10.24 H new ATOM 0 HG2 GLN A 19 3.291 14.726 -23.498 1.00 44.13 H new ATOM 0 HG3 GLN A 19 2.275 15.657 -24.580 1.00 44.13 H new ATOM 0 HE21 GLN A 19 1.446 14.478 -26.186 1.00 12.53 H new ATOM 0 HE22 GLN A 19 2.267 13.153 -27.017 1.00 12.53 H new ATOM 337 N LEU A 20 2.565 18.503 -26.949 1.00 72.43 N ATOM 338 CA LEU A 20 1.895 18.507 -28.245 1.00 63.54 C ATOM 339 C LEU A 20 1.571 19.930 -28.686 1.00 52.24 C ATOM 340 O LEU A 20 1.814 20.308 -29.833 1.00 63.21 O ATOM 341 CB LEU A 20 0.613 17.675 -28.181 1.00 54.44 C ATOM 342 CG LEU A 20 -0.330 17.802 -29.379 1.00 4.11 C ATOM 343 CD1 LEU A 20 -0.503 16.457 -30.067 1.00 23.35 C ATOM 344 CD2 LEU A 20 -1.677 18.357 -28.941 1.00 34.51 C ATOM 0 H LEU A 20 2.504 19.385 -26.440 1.00 72.43 H new ATOM 0 HA LEU A 20 2.571 18.065 -28.977 1.00 63.54 H new ATOM 0 HB2 LEU A 20 0.889 16.626 -28.071 1.00 54.44 H new ATOM 0 HB3 LEU A 20 0.065 17.956 -27.282 1.00 54.44 H new ATOM 0 HG LEU A 20 0.112 18.497 -30.093 1.00 4.11 H new ATOM 0 HD11 LEU A 20 -1.177 16.567 -30.917 1.00 23.35 H new ATOM 0 HD12 LEU A 20 0.466 16.100 -30.416 1.00 23.35 H new ATOM 0 HD13 LEU A 20 -0.922 15.739 -29.362 1.00 23.35 H new ATOM 0 HD21 LEU A 20 -2.335 18.441 -29.806 1.00 34.51 H new ATOM 0 HD22 LEU A 20 -2.125 17.687 -28.207 1.00 34.51 H new ATOM 0 HD23 LEU A 20 -1.537 19.342 -28.495 1.00 34.51 H new ATOM 356 N THR A 21 1.021 20.718 -27.767 1.00 44.35 N ATOM 357 CA THR A 21 0.665 22.101 -28.061 1.00 34.43 C ATOM 358 C THR A 21 1.908 22.961 -28.253 1.00 25.41 C ATOM 359 O THR A 21 1.871 23.976 -28.948 1.00 45.21 O ATOM 360 CB THR A 21 -0.197 22.709 -26.938 1.00 74.51 C ATOM 361 OG1 THR A 21 0.122 22.091 -25.686 1.00 74.33 O ATOM 362 CG2 THR A 21 -1.678 22.529 -27.235 1.00 74.53 C ATOM 0 H THR A 21 0.813 20.422 -26.813 1.00 44.35 H new ATOM 0 HA THR A 21 0.089 22.089 -28.986 1.00 34.43 H new ATOM 0 HB THR A 21 0.019 23.776 -26.882 1.00 74.51 H new ATOM 0 HG1 THR A 21 -0.573 21.439 -25.456 1.00 74.33 H new ATOM 0 HG21 THR A 21 -2.267 22.966 -26.428 1.00 74.53 H new ATOM 0 HG22 THR A 21 -1.924 23.025 -28.174 1.00 74.53 H new ATOM 0 HG23 THR A 21 -1.906 21.466 -27.316 1.00 74.53 H new ATOM 370 N TYR A 22 3.009 22.548 -27.634 1.00 33.32 N ATOM 371 CA TYR A 22 4.264 23.282 -27.736 1.00 23.12 C ATOM 372 C TYR A 22 5.365 22.401 -28.320 1.00 14.12 C ATOM 373 O TYR A 22 6.438 22.885 -28.676 1.00 3.52 O ATOM 374 CB TYR A 22 4.688 23.802 -26.361 1.00 41.43 C ATOM 375 CG TYR A 22 5.663 24.956 -26.425 1.00 3.10 C ATOM 376 CD1 TYR A 22 5.409 26.063 -27.225 1.00 54.14 C ATOM 377 CD2 TYR A 22 6.840 24.939 -25.686 1.00 33.00 C ATOM 378 CE1 TYR A 22 6.297 27.119 -27.287 1.00 40.34 C ATOM 379 CE2 TYR A 22 7.733 25.991 -25.741 1.00 10.24 C ATOM 380 CZ TYR A 22 7.457 27.079 -26.543 1.00 24.11 C ATOM 381 OH TYR A 22 8.345 28.128 -26.601 1.00 45.42 O ATOM 0 H TYR A 22 3.057 21.709 -27.056 1.00 33.32 H new ATOM 0 HA TYR A 22 4.107 24.128 -28.405 1.00 23.12 H new ATOM 0 HB2 TYR A 22 3.801 24.117 -25.811 1.00 41.43 H new ATOM 0 HB3 TYR A 22 5.140 22.986 -25.797 1.00 41.43 H new ATOM 0 HD1 TYR A 22 4.501 26.098 -27.809 1.00 54.14 H new ATOM 0 HD2 TYR A 22 7.060 24.088 -25.058 1.00 33.00 H new ATOM 0 HE1 TYR A 22 6.084 27.971 -27.915 1.00 40.34 H new ATOM 0 HE2 TYR A 22 8.643 25.962 -25.159 1.00 10.24 H new ATOM 0 HH TYR A 22 9.109 27.942 -26.017 1.00 45.42 H new ATOM 391 N GLU A 23 5.088 21.104 -28.415 1.00 55.42 N ATOM 392 CA GLU A 23 6.054 20.155 -28.956 1.00 15.32 C ATOM 393 C GLU A 23 5.858 19.976 -30.459 1.00 13.24 C ATOM 394 O GLU A 23 6.744 19.484 -31.157 1.00 45.23 O ATOM 395 CB GLU A 23 5.925 18.804 -28.249 1.00 50.31 C ATOM 396 CG GLU A 23 6.620 18.755 -26.899 1.00 12.33 C ATOM 397 CD GLU A 23 6.769 17.342 -26.370 1.00 62.25 C ATOM 398 OE1 GLU A 23 6.565 16.391 -27.155 1.00 1.43 O ATOM 399 OE2 GLU A 23 7.090 17.186 -25.174 1.00 32.32 O ATOM 0 H GLU A 23 4.204 20.687 -28.125 1.00 55.42 H new ATOM 0 HA GLU A 23 7.053 20.554 -28.783 1.00 15.32 H new ATOM 0 HB2 GLU A 23 4.868 18.574 -28.113 1.00 50.31 H new ATOM 0 HB3 GLU A 23 6.340 18.027 -28.890 1.00 50.31 H new ATOM 0 HG2 GLU A 23 7.606 19.212 -26.985 1.00 12.33 H new ATOM 0 HG3 GLU A 23 6.054 19.350 -26.182 1.00 12.33 H new ATOM 406 N HIS A 24 4.690 20.378 -30.949 1.00 53.44 N ATOM 407 CA HIS A 24 4.376 20.263 -32.369 1.00 64.32 C ATOM 408 C HIS A 24 5.487 20.870 -33.222 1.00 34.42 C ATOM 409 O HIS A 24 5.837 20.337 -34.275 1.00 62.13 O ATOM 410 CB HIS A 24 3.047 20.951 -32.677 1.00 55.34 C ATOM 411 CG HIS A 24 3.053 22.422 -32.393 1.00 24.21 C ATOM 412 ND1 HIS A 24 2.710 23.372 -33.332 1.00 34.44 N ATOM 413 CD2 HIS A 24 3.363 23.104 -31.266 1.00 4.03 C ATOM 414 CE1 HIS A 24 2.810 24.574 -32.795 1.00 14.43 C ATOM 415 NE2 HIS A 24 3.204 24.440 -31.541 1.00 62.24 N ATOM 0 H HIS A 24 3.945 20.786 -30.384 1.00 53.44 H new ATOM 0 HA HIS A 24 4.292 19.204 -32.612 1.00 64.32 H new ATOM 0 HB2 HIS A 24 2.801 20.793 -33.727 1.00 55.34 H new ATOM 0 HB3 HIS A 24 2.259 20.479 -32.090 1.00 55.34 H new ATOM 0 HD2 HIS A 24 3.677 22.677 -30.325 1.00 4.03 H new ATOM 0 HE1 HIS A 24 2.605 25.508 -33.296 1.00 14.43 H new ATOM 0 HE2 HIS A 24 3.364 25.204 -30.884 1.00 62.24 H new ATOM 423 N THR A 25 6.037 21.988 -32.760 1.00 14.42 N ATOM 424 CA THR A 25 7.105 22.669 -33.480 1.00 62.24 C ATOM 425 C THR A 25 8.020 23.424 -32.523 1.00 14.41 C ATOM 426 O THR A 25 7.773 24.586 -32.201 1.00 53.22 O ATOM 427 CB THR A 25 6.542 23.656 -34.520 1.00 71.54 C ATOM 428 OG1 THR A 25 5.815 24.699 -33.862 1.00 43.21 O ATOM 429 CG2 THR A 25 5.631 22.941 -35.507 1.00 33.53 C ATOM 0 H THR A 25 5.760 22.441 -31.889 1.00 14.42 H new ATOM 0 HA THR A 25 7.679 21.899 -33.995 1.00 62.24 H new ATOM 0 HB THR A 25 7.379 24.088 -35.069 1.00 71.54 H new ATOM 0 HG1 THR A 25 6.344 25.044 -33.113 1.00 43.21 H new ATOM 0 HG21 THR A 25 5.245 23.658 -36.232 1.00 33.53 H new ATOM 0 HG22 THR A 25 6.195 22.167 -36.027 1.00 33.53 H new ATOM 0 HG23 THR A 25 4.799 22.485 -34.970 1.00 33.53 H new ATOM 437 N MET A 26 9.077 22.757 -32.071 1.00 53.43 N ATOM 438 CA MET A 26 10.029 23.368 -31.151 1.00 43.14 C ATOM 439 C MET A 26 11.389 22.683 -31.243 1.00 43.44 C ATOM 440 O MET A 26 12.431 23.333 -31.141 1.00 31.14 O ATOM 441 CB MET A 26 9.504 23.294 -29.716 1.00 42.44 C ATOM 442 CG MET A 26 9.596 21.905 -29.106 1.00 50.23 C ATOM 443 SD MET A 26 9.057 21.865 -27.386 1.00 43.10 S ATOM 444 CE MET A 26 10.633 21.762 -26.540 1.00 53.02 C ATOM 0 H MET A 26 9.296 21.794 -32.327 1.00 53.43 H new ATOM 0 HA MET A 26 10.148 24.414 -31.433 1.00 43.14 H new ATOM 0 HB2 MET A 26 10.066 23.992 -29.096 1.00 42.44 H new ATOM 0 HB3 MET A 26 8.464 23.620 -29.701 1.00 42.44 H new ATOM 0 HG2 MET A 26 8.987 21.215 -29.690 1.00 50.23 H new ATOM 0 HG3 MET A 26 10.626 21.552 -29.168 1.00 50.23 H new ATOM 0 HE1 MET A 26 10.467 21.729 -25.463 1.00 53.02 H new ATOM 0 HE2 MET A 26 11.156 20.859 -26.854 1.00 53.02 H new ATOM 0 HE3 MET A 26 11.237 22.635 -26.787 1.00 53.02 H new ATOM 454 N LEU A 27 11.373 21.369 -31.437 1.00 41.30 N ATOM 455 CA LEU A 27 12.606 20.596 -31.543 1.00 13.24 C ATOM 456 C LEU A 27 12.718 19.934 -32.912 1.00 53.33 C ATOM 457 O LEU A 27 13.742 19.335 -33.240 1.00 55.52 O ATOM 458 CB LEU A 27 12.660 19.533 -30.444 1.00 10.31 C ATOM 459 CG LEU A 27 11.948 18.215 -30.750 1.00 22.04 C ATOM 460 CD1 LEU A 27 12.213 17.198 -29.650 1.00 62.14 C ATOM 461 CD2 LEU A 27 10.453 18.443 -30.919 1.00 22.21 C ATOM 0 H LEU A 27 10.520 20.816 -31.524 1.00 41.30 H new ATOM 0 HA LEU A 27 13.446 21.280 -31.421 1.00 13.24 H new ATOM 0 HB2 LEU A 27 13.706 19.316 -30.227 1.00 10.31 H new ATOM 0 HB3 LEU A 27 12.227 19.955 -29.537 1.00 10.31 H new ATOM 0 HG LEU A 27 12.343 17.819 -31.686 1.00 22.04 H new ATOM 0 HD11 LEU A 27 11.699 16.266 -29.884 1.00 62.14 H new ATOM 0 HD12 LEU A 27 13.285 17.012 -29.577 1.00 62.14 H new ATOM 0 HD13 LEU A 27 11.846 17.586 -28.700 1.00 62.14 H new ATOM 0 HD21 LEU A 27 9.963 17.494 -31.136 1.00 22.21 H new ATOM 0 HD22 LEU A 27 10.043 18.862 -30.000 1.00 22.21 H new ATOM 0 HD23 LEU A 27 10.282 19.137 -31.742 1.00 22.21 H new ATOM 473 N GLN A 28 11.659 20.049 -33.707 1.00 71.24 N ATOM 474 CA GLN A 28 11.640 19.462 -35.042 1.00 53.43 C ATOM 475 C GLN A 28 12.064 20.484 -36.092 1.00 3.21 C ATOM 476 O GLN A 28 11.775 20.329 -37.278 1.00 70.54 O ATOM 477 CB GLN A 28 10.243 18.929 -35.368 1.00 45.21 C ATOM 478 CG GLN A 28 10.031 17.484 -34.947 1.00 53.02 C ATOM 479 CD GLN A 28 9.988 16.533 -36.127 1.00 25.21 C ATOM 480 OE1 GLN A 28 10.688 16.728 -37.122 1.00 35.34 O ATOM 481 NE2 GLN A 28 9.166 15.496 -36.022 1.00 70.51 N ATOM 0 H GLN A 28 10.804 20.543 -33.450 1.00 71.24 H new ATOM 0 HA GLN A 28 12.350 18.635 -35.058 1.00 53.43 H new ATOM 0 HB2 GLN A 28 9.500 19.555 -34.875 1.00 45.21 H new ATOM 0 HB3 GLN A 28 10.071 19.015 -36.441 1.00 45.21 H new ATOM 0 HG2 GLN A 28 10.833 17.184 -34.273 1.00 53.02 H new ATOM 0 HG3 GLN A 28 9.099 17.405 -34.388 1.00 53.02 H new ATOM 0 HE21 GLN A 28 8.605 15.374 -35.179 1.00 70.51 H new ATOM 0 HE22 GLN A 28 9.096 14.822 -36.784 1.00 70.51 H new ATOM 490 N LYS A 29 12.752 21.530 -35.647 1.00 42.54 N ATOM 491 CA LYS A 29 13.218 22.579 -36.547 1.00 63.35 C ATOM 492 C LYS A 29 12.055 23.182 -37.328 1.00 42.50 C ATOM 493 O LYS A 29 12.241 23.731 -38.414 1.00 42.43 O ATOM 494 CB LYS A 29 14.262 22.020 -37.517 1.00 72.34 C ATOM 495 CG LYS A 29 15.495 21.461 -36.829 1.00 12.04 C ATOM 496 CD LYS A 29 16.768 21.860 -37.555 1.00 4.41 C ATOM 497 CE LYS A 29 17.992 21.198 -36.940 1.00 73.43 C ATOM 498 NZ LYS A 29 19.186 22.086 -36.987 1.00 60.31 N ATOM 0 H LYS A 29 12.999 21.674 -34.668 1.00 42.54 H new ATOM 0 HA LYS A 29 13.674 23.364 -35.944 1.00 63.35 H new ATOM 0 HB2 LYS A 29 13.804 21.234 -38.117 1.00 72.34 H new ATOM 0 HB3 LYS A 29 14.566 22.809 -38.204 1.00 72.34 H new ATOM 0 HG2 LYS A 29 15.534 21.821 -35.801 1.00 12.04 H new ATOM 0 HG3 LYS A 29 15.426 20.374 -36.784 1.00 12.04 H new ATOM 0 HD2 LYS A 29 16.691 21.581 -38.606 1.00 4.41 H new ATOM 0 HD3 LYS A 29 16.883 22.943 -37.521 1.00 4.41 H new ATOM 0 HE2 LYS A 29 17.779 20.931 -35.905 1.00 73.43 H new ATOM 0 HE3 LYS A 29 18.208 20.271 -37.470 1.00 73.43 H new ATOM 0 HZ1 LYS A 29 19.998 21.598 -36.558 1.00 60.31 H new ATOM 0 HZ2 LYS A 29 19.405 22.321 -37.976 1.00 60.31 H new ATOM 0 HZ3 LYS A 29 18.989 22.960 -36.459 1.00 60.31 H new ATOM 512 N LYS A 30 10.855 23.079 -36.767 1.00 61.12 N ATOM 513 CA LYS A 30 9.661 23.617 -37.409 1.00 23.14 C ATOM 514 C LYS A 30 9.545 23.120 -38.846 1.00 41.10 C ATOM 515 O LYS A 30 8.452 23.071 -39.410 1.00 15.13 O ATOM 516 CB LYS A 30 9.691 25.147 -37.387 1.00 64.23 C ATOM 517 CG LYS A 30 8.418 25.773 -36.845 1.00 60.25 C ATOM 518 CD LYS A 30 8.623 26.332 -35.447 1.00 74.34 C ATOM 519 CE LYS A 30 9.374 27.654 -35.480 1.00 73.11 C ATOM 520 NZ LYS A 30 10.032 27.950 -34.178 1.00 2.13 N ATOM 0 H LYS A 30 10.683 22.628 -35.869 1.00 61.12 H new ATOM 0 HA LYS A 30 8.791 23.269 -36.852 1.00 23.14 H new ATOM 0 HB2 LYS A 30 10.535 25.477 -36.781 1.00 64.23 H new ATOM 0 HB3 LYS A 30 9.864 25.513 -38.399 1.00 64.23 H new ATOM 0 HG2 LYS A 30 8.091 26.570 -37.512 1.00 60.25 H new ATOM 0 HG3 LYS A 30 7.624 25.027 -36.827 1.00 60.25 H new ATOM 0 HD2 LYS A 30 7.656 26.474 -34.965 1.00 74.34 H new ATOM 0 HD3 LYS A 30 9.177 25.613 -34.844 1.00 74.34 H new ATOM 0 HE2 LYS A 30 10.126 27.625 -36.269 1.00 73.11 H new ATOM 0 HE3 LYS A 30 8.682 28.459 -35.729 1.00 73.11 H new ATOM 0 HZ1 LYS A 30 10.533 28.859 -34.241 1.00 2.13 H new ATOM 0 HZ2 LYS A 30 9.312 28.003 -33.429 1.00 2.13 H new ATOM 0 HZ3 LYS A 30 10.711 27.195 -33.953 1.00 2.13 H new TER 534 LYS A 30