USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=8 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= -4.51! C(o=-4.5!,f=-5.6!) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -122:sc= -0.225 (180deg=-0.69) 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 171:sc= 0 (180deg=-0.0812) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 94:sc= 0.742 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= -0.0384 K(o=-0.038,f=-2.3!) 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 -0.687 6.386 0.072 1.00 21.44 N ATOM 2 CA LYS A 1 -0.564 4.934 0.121 1.00 61.52 C ATOM 3 C LYS A 1 -1.230 4.290 -1.092 1.00 3.44 C ATOM 4 O LYS A 1 -1.979 3.322 -0.961 1.00 1.21 O ATOM 5 CB LYS A 1 -1.190 4.391 1.407 1.00 21.44 C ATOM 6 CG LYS A 1 -0.505 4.882 2.671 1.00 31.42 C ATOM 7 CD LYS A 1 0.747 4.077 2.975 1.00 25.13 C ATOM 8 CE LYS A 1 1.731 4.874 3.818 1.00 44.33 C ATOM 9 NZ LYS A 1 2.342 4.044 4.892 1.00 32.34 N ATOM 0 H1 LYS A 1 0.260 6.815 0.090 1.00 21.44 H new ATOM 0 H2 LYS A 1 -1.176 6.664 -0.803 1.00 21.44 H new ATOM 0 H3 LYS A 1 -1.233 6.716 0.893 1.00 21.44 H new ATOM 0 HA LYS A 1 0.497 4.684 0.107 1.00 61.52 H new ATOM 0 HB2 LYS A 1 -2.241 4.678 1.439 1.00 21.44 H new ATOM 0 HB3 LYS A 1 -1.157 3.302 1.386 1.00 21.44 H new ATOM 0 HG2 LYS A 1 -0.244 5.934 2.559 1.00 31.42 H new ATOM 0 HG3 LYS A 1 -1.196 4.813 3.511 1.00 31.42 H new ATOM 0 HD2 LYS A 1 0.474 3.162 3.500 1.00 25.13 H new ATOM 0 HD3 LYS A 1 1.224 3.778 2.042 1.00 25.13 H new ATOM 0 HE2 LYS A 1 2.517 5.274 3.177 1.00 44.33 H new ATOM 0 HE3 LYS A 1 1.219 5.726 4.265 1.00 44.33 H new ATOM 0 HZ1 LYS A 1 3.006 4.624 5.444 1.00 32.34 H new ATOM 0 HZ2 LYS A 1 1.595 3.683 5.519 1.00 32.34 H new ATOM 0 HZ3 LYS A 1 2.852 3.245 4.465 1.00 32.34 H new ATOM 23 N LYS A 2 -0.951 4.834 -2.272 1.00 22.24 N ATOM 24 CA LYS A 2 -1.520 4.312 -3.508 1.00 61.05 C ATOM 25 C LYS A 2 -0.455 4.209 -4.596 1.00 75.12 C ATOM 26 O LYS A 2 -0.252 5.145 -5.369 1.00 41.30 O ATOM 27 CB LYS A 2 -2.666 5.208 -3.985 1.00 23.24 C ATOM 28 CG LYS A 2 -4.014 4.837 -3.392 1.00 32.01 C ATOM 29 CD LYS A 2 -4.848 4.024 -4.368 1.00 40.44 C ATOM 30 CE LYS A 2 -6.336 4.179 -4.094 1.00 40.40 C ATOM 31 NZ LYS A 2 -7.116 4.359 -5.350 1.00 3.41 N ATOM 0 H LYS A 2 -0.334 5.636 -2.398 1.00 22.24 H new ATOM 0 HA LYS A 2 -1.907 3.313 -3.307 1.00 61.05 H new ATOM 0 HB2 LYS A 2 -2.438 6.243 -3.729 1.00 23.24 H new ATOM 0 HB3 LYS A 2 -2.729 5.155 -5.072 1.00 23.24 H new ATOM 0 HG2 LYS A 2 -3.865 4.266 -2.476 1.00 32.01 H new ATOM 0 HG3 LYS A 2 -4.554 5.743 -3.118 1.00 32.01 H new ATOM 0 HD2 LYS A 2 -4.630 4.342 -5.387 1.00 40.44 H new ATOM 0 HD3 LYS A 2 -4.571 2.972 -4.296 1.00 40.44 H new ATOM 0 HE2 LYS A 2 -6.701 3.300 -3.563 1.00 40.40 H new ATOM 0 HE3 LYS A 2 -6.497 5.036 -3.440 1.00 40.40 H new ATOM 0 HZ1 LYS A 2 -8.125 4.461 -5.120 1.00 3.41 H new ATOM 0 HZ2 LYS A 2 -6.786 5.212 -5.845 1.00 3.41 H new ATOM 0 HZ3 LYS A 2 -6.983 3.530 -5.963 1.00 3.41 H new ATOM 45 N ARG A 3 0.219 3.065 -4.651 1.00 3.30 N ATOM 46 CA ARG A 3 1.262 2.841 -5.644 1.00 64.45 C ATOM 47 C ARG A 3 0.656 2.462 -6.993 1.00 25.43 C ATOM 48 O ARG A 3 -0.357 1.765 -7.056 1.00 1.14 O ATOM 49 CB ARG A 3 2.216 1.740 -5.174 1.00 54.33 C ATOM 50 CG ARG A 3 2.860 2.027 -3.828 1.00 11.01 C ATOM 51 CD ARG A 3 4.150 1.241 -3.649 1.00 14.40 C ATOM 52 NE ARG A 3 4.715 1.415 -2.314 1.00 24.12 N ATOM 53 CZ ARG A 3 5.969 1.105 -2.001 1.00 35.23 C ATOM 54 NH1 ARG A 3 6.782 0.608 -2.922 1.00 42.43 N ATOM 55 NH2 ARG A 3 6.410 1.292 -0.763 1.00 62.45 N ATOM 0 H ARG A 3 0.061 2.279 -4.020 1.00 3.30 H new ATOM 0 HA ARG A 3 1.820 3.769 -5.764 1.00 64.45 H new ATOM 0 HB2 ARG A 3 1.669 0.799 -5.113 1.00 54.33 H new ATOM 0 HB3 ARG A 3 2.999 1.606 -5.921 1.00 54.33 H new ATOM 0 HG2 ARG A 3 3.068 3.094 -3.743 1.00 11.01 H new ATOM 0 HG3 ARG A 3 2.164 1.773 -3.029 1.00 11.01 H new ATOM 0 HD2 ARG A 3 3.958 0.183 -3.826 1.00 14.40 H new ATOM 0 HD3 ARG A 3 4.877 1.562 -4.395 1.00 14.40 H new ATOM 0 HE ARG A 3 4.115 1.795 -1.582 1.00 24.12 H new ATOM 0 HH11 ARG A 3 6.446 0.462 -3.874 1.00 42.43 H new ATOM 0 HH12 ARG A 3 7.744 0.371 -2.679 1.00 42.43 H new ATOM 0 HH21 ARG A 3 5.786 1.674 -0.052 1.00 62.45 H new ATOM 0 HH22 ARG A 3 7.372 1.054 -0.523 1.00 62.45 H new ATOM 69 N TYR A 4 1.283 2.925 -8.068 1.00 43.02 N ATOM 70 CA TYR A 4 0.805 2.637 -9.415 1.00 54.51 C ATOM 71 C TYR A 4 -0.581 3.234 -9.640 1.00 14.24 C ATOM 72 O TYR A 4 -1.420 2.647 -10.324 1.00 3.11 O ATOM 73 CB TYR A 4 0.767 1.127 -9.654 1.00 14.12 C ATOM 74 CG TYR A 4 2.050 0.422 -9.278 1.00 4.20 C ATOM 75 CD1 TYR A 4 3.215 0.623 -10.008 1.00 64.33 C ATOM 76 CD2 TYR A 4 2.098 -0.445 -8.194 1.00 3.15 C ATOM 77 CE1 TYR A 4 4.391 -0.020 -9.669 1.00 55.41 C ATOM 78 CE2 TYR A 4 3.269 -1.090 -7.846 1.00 62.32 C ATOM 79 CZ TYR A 4 4.413 -0.875 -8.587 1.00 55.31 C ATOM 80 OH TYR A 4 5.581 -1.517 -8.245 1.00 54.22 O ATOM 0 H TYR A 4 2.124 3.502 -8.033 1.00 43.02 H new ATOM 0 HA TYR A 4 1.497 3.092 -10.124 1.00 54.51 H new ATOM 0 HB2 TYR A 4 -0.055 0.698 -9.081 1.00 14.12 H new ATOM 0 HB3 TYR A 4 0.554 0.939 -10.706 1.00 14.12 H new ATOM 0 HD1 TYR A 4 3.202 1.293 -10.855 1.00 64.33 H new ATOM 0 HD2 TYR A 4 1.204 -0.618 -7.613 1.00 3.15 H new ATOM 0 HE1 TYR A 4 5.287 0.146 -10.248 1.00 55.41 H new ATOM 0 HE2 TYR A 4 3.289 -1.759 -6.998 1.00 62.32 H new ATOM 0 HH TYR A 4 5.426 -2.082 -7.459 1.00 54.22 H new ATOM 90 N VAL A 5 -0.815 4.406 -9.058 1.00 51.51 N ATOM 91 CA VAL A 5 -2.098 5.085 -9.195 1.00 11.50 C ATOM 92 C VAL A 5 -1.917 6.598 -9.245 1.00 4.31 C ATOM 93 O VAL A 5 -2.122 7.224 -10.284 1.00 40.33 O ATOM 94 CB VAL A 5 -3.047 4.731 -8.035 1.00 12.33 C ATOM 95 CG1 VAL A 5 -4.369 5.469 -8.182 1.00 10.34 C ATOM 96 CG2 VAL A 5 -3.271 3.228 -7.970 1.00 3.02 C ATOM 0 H VAL A 5 -0.133 4.905 -8.487 1.00 51.51 H new ATOM 0 HA VAL A 5 -2.538 4.744 -10.132 1.00 11.50 H new ATOM 0 HB VAL A 5 -2.584 5.047 -7.100 1.00 12.33 H new ATOM 0 HG11 VAL A 5 -5.026 5.206 -7.353 1.00 10.34 H new ATOM 0 HG12 VAL A 5 -4.188 6.544 -8.175 1.00 10.34 H new ATOM 0 HG13 VAL A 5 -4.841 5.186 -9.123 1.00 10.34 H new ATOM 0 HG21 VAL A 5 -3.944 2.996 -7.145 1.00 3.02 H new ATOM 0 HG22 VAL A 5 -3.713 2.885 -8.906 1.00 3.02 H new ATOM 0 HG23 VAL A 5 -2.317 2.724 -7.813 1.00 3.02 H new ATOM 106 N ALA A 6 -1.530 7.180 -8.114 1.00 42.03 N ATOM 107 CA ALA A 6 -1.318 8.620 -8.030 1.00 21.45 C ATOM 108 C ALA A 6 0.030 9.012 -8.626 1.00 14.22 C ATOM 109 O ALA A 6 0.349 10.196 -8.735 1.00 23.40 O ATOM 110 CB ALA A 6 -1.412 9.083 -6.583 1.00 73.32 C ATOM 0 H ALA A 6 -1.357 6.677 -7.244 1.00 42.03 H new ATOM 0 HA ALA A 6 -2.099 9.112 -8.610 1.00 21.45 H new ATOM 0 HB1 ALA A 6 -1.252 10.160 -6.534 1.00 73.32 H new ATOM 0 HB2 ALA A 6 -2.400 8.845 -6.188 1.00 73.32 H new ATOM 0 HB3 ALA A 6 -0.652 8.576 -5.989 1.00 73.32 H new ATOM 116 N MET A 7 0.816 8.012 -9.009 1.00 73.34 N ATOM 117 CA MET A 7 2.129 8.254 -9.595 1.00 61.22 C ATOM 118 C MET A 7 2.173 7.781 -11.045 1.00 2.31 C ATOM 119 O MET A 7 3.238 7.454 -11.569 1.00 73.43 O ATOM 120 CB MET A 7 3.213 7.543 -8.782 1.00 12.42 C ATOM 121 CG MET A 7 4.357 8.454 -8.368 1.00 45.14 C ATOM 122 SD MET A 7 5.118 7.951 -6.813 1.00 0.32 S ATOM 123 CE MET A 7 5.643 6.287 -7.215 1.00 60.21 C ATOM 0 H MET A 7 0.567 7.027 -8.924 1.00 73.34 H new ATOM 0 HA MET A 7 2.315 9.328 -9.575 1.00 61.22 H new ATOM 0 HB2 MET A 7 2.761 7.111 -7.889 1.00 12.42 H new ATOM 0 HB3 MET A 7 3.612 6.716 -9.369 1.00 12.42 H new ATOM 0 HG2 MET A 7 5.113 8.460 -9.153 1.00 45.14 H new ATOM 0 HG3 MET A 7 3.987 9.475 -8.273 1.00 45.14 H new ATOM 0 HE1 MET A 7 6.270 5.899 -6.412 1.00 60.21 H new ATOM 0 HE2 MET A 7 4.768 5.648 -7.333 1.00 60.21 H new ATOM 0 HE3 MET A 7 6.211 6.299 -8.145 1.00 60.21 H new ATOM 133 N VAL A 8 1.010 7.748 -11.688 1.00 1.34 N ATOM 134 CA VAL A 8 0.916 7.317 -13.077 1.00 64.41 C ATOM 135 C VAL A 8 0.324 8.414 -13.955 1.00 23.43 C ATOM 136 O VAL A 8 0.969 8.889 -14.890 1.00 55.40 O ATOM 137 CB VAL A 8 0.057 6.046 -13.213 1.00 61.42 C ATOM 138 CG1 VAL A 8 0.158 5.481 -14.622 1.00 20.10 C ATOM 139 CG2 VAL A 8 0.475 5.008 -12.183 1.00 31.44 C ATOM 0 H VAL A 8 0.119 8.015 -11.268 1.00 1.34 H new ATOM 0 HA VAL A 8 1.931 7.098 -13.410 1.00 64.41 H new ATOM 0 HB VAL A 8 -0.984 6.311 -13.027 1.00 61.42 H new ATOM 0 HG11 VAL A 8 -0.456 4.583 -14.699 1.00 20.10 H new ATOM 0 HG12 VAL A 8 -0.194 6.224 -15.338 1.00 20.10 H new ATOM 0 HG13 VAL A 8 1.196 5.231 -14.840 1.00 20.10 H new ATOM 0 HG21 VAL A 8 -0.142 4.117 -12.294 1.00 31.44 H new ATOM 0 HG22 VAL A 8 1.522 4.745 -12.335 1.00 31.44 H new ATOM 0 HG23 VAL A 8 0.345 5.417 -11.181 1.00 31.44 H new ATOM 149 N ILE A 9 -0.906 8.811 -13.647 1.00 24.35 N ATOM 150 CA ILE A 9 -1.584 9.853 -14.406 1.00 50.34 C ATOM 151 C ILE A 9 -1.136 11.240 -13.958 1.00 13.22 C ATOM 152 O ILE A 9 -1.540 12.250 -14.534 1.00 43.34 O ATOM 153 CB ILE A 9 -3.114 9.749 -14.264 1.00 20.14 C ATOM 154 CG1 ILE A 9 -3.565 8.295 -14.421 1.00 43.20 C ATOM 155 CG2 ILE A 9 -3.803 10.637 -15.289 1.00 34.13 C ATOM 156 CD1 ILE A 9 -5.059 8.108 -14.283 1.00 33.32 C ATOM 0 H ILE A 9 -1.453 8.426 -12.877 1.00 24.35 H new ATOM 0 HA ILE A 9 -1.314 9.707 -15.452 1.00 50.34 H new ATOM 0 HB ILE A 9 -3.396 10.091 -13.268 1.00 20.14 H new ATOM 0 HG12 ILE A 9 -3.250 7.929 -15.398 1.00 43.20 H new ATOM 0 HG13 ILE A 9 -3.060 7.684 -13.673 1.00 43.20 H new ATOM 0 HG21 ILE A 9 -4.884 10.552 -15.176 1.00 34.13 H new ATOM 0 HG22 ILE A 9 -3.502 11.673 -15.134 1.00 34.13 H new ATOM 0 HG23 ILE A 9 -3.518 10.323 -16.293 1.00 34.13 H new ATOM 0 HD11 ILE A 9 -5.307 7.054 -14.406 1.00 33.32 H new ATOM 0 HD12 ILE A 9 -5.378 8.443 -13.296 1.00 33.32 H new ATOM 0 HD13 ILE A 9 -5.571 8.692 -15.048 1.00 33.32 H new ATOM 168 N TRP A 10 -0.299 11.281 -12.927 1.00 75.15 N ATOM 169 CA TRP A 10 0.205 12.545 -12.402 1.00 61.44 C ATOM 170 C TRP A 10 1.565 12.881 -13.005 1.00 73.52 C ATOM 171 O TRP A 10 1.991 14.036 -12.995 1.00 51.22 O ATOM 172 CB TRP A 10 0.311 12.481 -10.878 1.00 1.12 C ATOM 173 CG TRP A 10 -0.995 12.719 -10.181 1.00 64.52 C ATOM 174 CD1 TRP A 10 -1.342 13.814 -9.443 1.00 75.23 C ATOM 175 CD2 TRP A 10 -2.125 11.840 -10.156 1.00 63.12 C ATOM 176 NE1 TRP A 10 -2.621 13.669 -8.961 1.00 21.11 N ATOM 177 CE2 TRP A 10 -3.123 12.467 -9.385 1.00 21.01 C ATOM 178 CE3 TRP A 10 -2.392 10.586 -10.712 1.00 24.23 C ATOM 179 CZ2 TRP A 10 -4.365 11.880 -9.156 1.00 44.30 C ATOM 180 CZ3 TRP A 10 -3.624 10.005 -10.483 1.00 73.34 C ATOM 181 CH2 TRP A 10 -4.599 10.652 -9.712 1.00 23.01 C ATOM 0 H TRP A 10 0.045 10.454 -12.438 1.00 75.15 H new ATOM 0 HA TRP A 10 -0.498 13.331 -12.678 1.00 61.44 H new ATOM 0 HB2 TRP A 10 0.696 11.503 -10.588 1.00 1.12 H new ATOM 0 HB3 TRP A 10 1.035 13.222 -10.540 1.00 1.12 H new ATOM 0 HD1 TRP A 10 -0.705 14.668 -9.264 1.00 75.23 H new ATOM 0 HE1 TRP A 10 -3.116 14.347 -8.381 1.00 21.11 H new ATOM 0 HE3 TRP A 10 -1.648 10.080 -11.310 1.00 24.23 H new ATOM 0 HZ2 TRP A 10 -5.117 12.377 -8.561 1.00 44.30 H new ATOM 0 HZ3 TRP A 10 -3.840 9.035 -10.906 1.00 73.34 H new ATOM 0 HH2 TRP A 10 -5.553 10.172 -9.554 1.00 23.01 H new ATOM 192 N LEU A 11 2.242 11.865 -13.530 1.00 34.03 N ATOM 193 CA LEU A 11 3.554 12.053 -14.138 1.00 2.21 C ATOM 194 C LEU A 11 3.589 11.472 -15.548 1.00 3.31 C ATOM 195 O LEU A 11 3.836 12.188 -16.519 1.00 64.30 O ATOM 196 CB LEU A 11 4.636 11.398 -13.277 1.00 53.20 C ATOM 197 CG LEU A 11 4.606 11.740 -11.787 1.00 33.31 C ATOM 198 CD1 LEU A 11 5.071 10.553 -10.958 1.00 23.22 C ATOM 199 CD2 LEU A 11 5.466 12.962 -11.502 1.00 64.14 C ATOM 0 H LEU A 11 1.904 10.903 -13.547 1.00 34.03 H new ATOM 0 HA LEU A 11 3.748 13.124 -14.201 1.00 2.21 H new ATOM 0 HB2 LEU A 11 4.551 10.316 -13.383 1.00 53.20 H new ATOM 0 HB3 LEU A 11 5.610 11.682 -13.675 1.00 53.20 H new ATOM 0 HG LEU A 11 3.578 11.972 -11.508 1.00 33.31 H new ATOM 0 HD11 LEU A 11 5.043 10.815 -9.900 1.00 23.22 H new ATOM 0 HD12 LEU A 11 4.413 9.703 -11.139 1.00 23.22 H new ATOM 0 HD13 LEU A 11 6.090 10.289 -11.240 1.00 23.22 H new ATOM 0 HD21 LEU A 11 5.432 13.190 -10.437 1.00 64.14 H new ATOM 0 HD22 LEU A 11 6.495 12.759 -11.797 1.00 64.14 H new ATOM 0 HD23 LEU A 11 5.087 13.813 -12.068 1.00 64.14 H new ATOM 211 N TYR A 12 3.339 10.172 -15.653 1.00 14.13 N ATOM 212 CA TYR A 12 3.342 9.495 -16.944 1.00 33.32 C ATOM 213 C TYR A 12 2.363 10.157 -17.909 1.00 35.44 C ATOM 214 O TYR A 12 2.519 10.069 -19.126 1.00 52.25 O ATOM 215 CB TYR A 12 2.984 8.018 -16.769 1.00 74.15 C ATOM 216 CG TYR A 12 4.021 7.073 -17.332 1.00 71.24 C ATOM 217 CD1 TYR A 12 4.234 6.979 -18.702 1.00 41.51 C ATOM 218 CD2 TYR A 12 4.789 6.274 -16.494 1.00 73.41 C ATOM 219 CE1 TYR A 12 5.180 6.117 -19.221 1.00 22.34 C ATOM 220 CE2 TYR A 12 5.738 5.409 -17.004 1.00 1.13 C ATOM 221 CZ TYR A 12 5.930 5.334 -18.368 1.00 32.15 C ATOM 222 OH TYR A 12 6.874 4.474 -18.880 1.00 42.31 O ATOM 0 H TYR A 12 3.132 9.566 -14.859 1.00 14.13 H new ATOM 0 HA TYR A 12 4.345 9.572 -17.364 1.00 33.32 H new ATOM 0 HB2 TYR A 12 2.852 7.808 -15.708 1.00 74.15 H new ATOM 0 HB3 TYR A 12 2.027 7.825 -17.254 1.00 74.15 H new ATOM 0 HD1 TYR A 12 3.649 7.591 -19.373 1.00 41.51 H new ATOM 0 HD2 TYR A 12 4.642 6.330 -15.426 1.00 73.41 H new ATOM 0 HE1 TYR A 12 5.332 6.056 -20.289 1.00 22.34 H new ATOM 0 HE2 TYR A 12 6.326 4.795 -16.338 1.00 1.13 H new ATOM 0 HH TYR A 12 7.315 3.997 -18.146 1.00 42.31 H new ATOM 232 N SER A 13 1.353 10.819 -17.354 1.00 55.32 N ATOM 233 CA SER A 13 0.345 11.494 -18.164 1.00 51.20 C ATOM 234 C SER A 13 0.346 12.996 -17.893 1.00 24.41 C ATOM 235 O SER A 13 -0.666 13.671 -18.075 1.00 1.23 O ATOM 236 CB SER A 13 -1.042 10.914 -17.878 1.00 43.33 C ATOM 237 OG SER A 13 -1.051 9.508 -18.049 1.00 73.44 O ATOM 0 H SER A 13 1.211 10.903 -16.347 1.00 55.32 H new ATOM 0 HA SER A 13 0.590 11.332 -19.214 1.00 51.20 H new ATOM 0 HB2 SER A 13 -1.340 11.162 -16.859 1.00 43.33 H new ATOM 0 HB3 SER A 13 -1.775 11.369 -18.544 1.00 43.33 H new ATOM 0 HG SER A 13 -1.948 9.161 -17.859 1.00 73.44 H new ATOM 243 N ALA A 14 1.491 13.510 -17.457 1.00 3.53 N ATOM 244 CA ALA A 14 1.627 14.932 -17.162 1.00 73.40 C ATOM 245 C ALA A 14 2.771 15.551 -17.958 1.00 34.32 C ATOM 246 O ALA A 14 2.670 16.684 -18.429 1.00 63.44 O ATOM 247 CB ALA A 14 1.843 15.143 -15.671 1.00 3.11 C ATOM 0 H ALA A 14 2.338 12.964 -17.300 1.00 3.53 H new ATOM 0 HA ALA A 14 0.703 15.429 -17.458 1.00 73.40 H new ATOM 0 HB1 ALA A 14 1.943 16.209 -15.465 1.00 3.11 H new ATOM 0 HB2 ALA A 14 0.991 14.745 -15.120 1.00 3.11 H new ATOM 0 HB3 ALA A 14 2.750 14.626 -15.358 1.00 3.11 H new ATOM 253 N PHE A 15 3.858 14.801 -18.103 1.00 60.21 N ATOM 254 CA PHE A 15 5.022 15.277 -18.841 1.00 3.13 C ATOM 255 C PHE A 15 4.856 15.030 -20.337 1.00 65.13 C ATOM 256 O PHE A 15 5.328 15.813 -21.162 1.00 73.35 O ATOM 257 CB PHE A 15 6.290 14.586 -18.336 1.00 24.34 C ATOM 258 CG PHE A 15 7.506 14.881 -19.167 1.00 71.23 C ATOM 259 CD1 PHE A 15 8.215 16.058 -18.988 1.00 71.32 C ATOM 260 CD2 PHE A 15 7.940 13.981 -20.128 1.00 14.24 C ATOM 261 CE1 PHE A 15 9.333 16.332 -19.753 1.00 21.03 C ATOM 262 CE2 PHE A 15 9.058 14.250 -20.895 1.00 35.12 C ATOM 263 CZ PHE A 15 9.756 15.426 -20.706 1.00 53.43 C ATOM 0 H PHE A 15 3.957 13.861 -17.719 1.00 60.21 H new ATOM 0 HA PHE A 15 5.111 16.351 -18.676 1.00 3.13 H new ATOM 0 HB2 PHE A 15 6.478 14.896 -17.308 1.00 24.34 H new ATOM 0 HB3 PHE A 15 6.125 13.509 -18.318 1.00 24.34 H new ATOM 0 HD1 PHE A 15 7.890 16.769 -18.243 1.00 71.32 H new ATOM 0 HD2 PHE A 15 7.398 13.059 -20.279 1.00 14.24 H new ATOM 0 HE1 PHE A 15 9.876 17.254 -19.606 1.00 21.03 H new ATOM 0 HE2 PHE A 15 9.385 13.541 -21.641 1.00 35.12 H new ATOM 0 HZ PHE A 15 10.631 15.637 -21.302 1.00 53.43 H new ATOM 273 N ARG A 16 4.184 13.936 -20.679 1.00 60.23 N ATOM 274 CA ARG A 16 3.957 13.584 -22.076 1.00 22.33 C ATOM 275 C ARG A 16 3.123 14.652 -22.777 1.00 61.31 C ATOM 276 O ARG A 16 3.429 15.056 -23.898 1.00 70.11 O ATOM 277 CB ARG A 16 3.256 12.228 -22.174 1.00 62.55 C ATOM 278 CG ARG A 16 2.995 11.780 -23.603 1.00 73.32 C ATOM 279 CD ARG A 16 4.270 11.301 -24.279 1.00 41.43 C ATOM 280 NE ARG A 16 4.326 11.696 -25.684 1.00 74.35 N ATOM 281 CZ ARG A 16 5.282 11.306 -26.520 1.00 31.31 C ATOM 282 NH1 ARG A 16 6.257 10.515 -26.094 1.00 31.31 N ATOM 283 NH2 ARG A 16 5.264 11.707 -27.785 1.00 33.43 N ATOM 0 H ARG A 16 3.787 13.278 -20.008 1.00 60.23 H new ATOM 0 HA ARG A 16 4.926 13.521 -22.571 1.00 22.33 H new ATOM 0 HB2 ARG A 16 3.865 11.476 -21.672 1.00 62.55 H new ATOM 0 HB3 ARG A 16 2.308 12.279 -21.639 1.00 62.55 H new ATOM 0 HG2 ARG A 16 2.258 10.977 -23.605 1.00 73.32 H new ATOM 0 HG3 ARG A 16 2.568 12.606 -24.172 1.00 73.32 H new ATOM 0 HD2 ARG A 16 5.134 11.708 -23.753 1.00 41.43 H new ATOM 0 HD3 ARG A 16 4.334 10.215 -24.205 1.00 41.43 H new ATOM 0 HE ARG A 16 3.591 12.305 -26.043 1.00 74.35 H new ATOM 0 HH11 ARG A 16 6.274 10.205 -25.123 1.00 31.31 H new ATOM 0 HH12 ARG A 16 6.990 10.217 -26.738 1.00 31.31 H new ATOM 0 HH21 ARG A 16 4.515 12.315 -28.117 1.00 33.43 H new ATOM 0 HH22 ARG A 16 5.999 11.407 -28.426 1.00 33.43 H new ATOM 297 N GLY A 17 2.067 15.104 -22.108 1.00 53.44 N ATOM 298 CA GLY A 17 1.205 16.120 -22.683 1.00 55.41 C ATOM 299 C GLY A 17 1.970 17.358 -23.107 1.00 11.32 C ATOM 300 O GLY A 17 1.603 18.023 -24.076 1.00 61.52 O ATOM 0 H GLY A 17 1.793 14.785 -21.179 1.00 53.44 H new ATOM 0 HA2 GLY A 17 0.685 15.705 -23.546 1.00 55.41 H new ATOM 0 HA3 GLY A 17 0.443 16.399 -21.956 1.00 55.41 H new ATOM 304 N VAL A 18 3.036 17.671 -22.378 1.00 5.23 N ATOM 305 CA VAL A 18 3.855 18.838 -22.683 1.00 5.22 C ATOM 306 C VAL A 18 4.789 18.563 -23.856 1.00 24.31 C ATOM 307 O VAL A 18 4.942 19.396 -24.748 1.00 45.13 O ATOM 308 CB VAL A 18 4.693 19.270 -21.464 1.00 41.25 C ATOM 309 CG1 VAL A 18 5.397 20.590 -21.741 1.00 61.20 C ATOM 310 CG2 VAL A 18 3.817 19.373 -20.225 1.00 55.45 C ATOM 0 H VAL A 18 3.353 17.133 -21.572 1.00 5.23 H new ATOM 0 HA VAL A 18 3.171 19.644 -22.948 1.00 5.22 H new ATOM 0 HB VAL A 18 5.454 18.511 -21.281 1.00 41.25 H new ATOM 0 HG11 VAL A 18 5.984 20.879 -20.869 1.00 61.20 H new ATOM 0 HG12 VAL A 18 6.057 20.477 -22.601 1.00 61.20 H new ATOM 0 HG13 VAL A 18 4.655 21.361 -21.951 1.00 61.20 H new ATOM 0 HG21 VAL A 18 4.425 19.679 -19.374 1.00 55.45 H new ATOM 0 HG22 VAL A 18 3.032 20.111 -20.394 1.00 55.45 H new ATOM 0 HG23 VAL A 18 3.365 18.403 -20.018 1.00 55.45 H new ATOM 320 N GLN A 19 5.411 17.388 -23.847 1.00 72.22 N ATOM 321 CA GLN A 19 6.330 17.003 -24.911 1.00 63.32 C ATOM 322 C GLN A 19 5.579 16.363 -26.075 1.00 5.34 C ATOM 323 O GLN A 19 5.902 15.253 -26.500 1.00 51.33 O ATOM 324 CB GLN A 19 7.386 16.034 -24.376 1.00 31.31 C ATOM 325 CG GLN A 19 8.634 15.955 -25.241 1.00 34.42 C ATOM 326 CD GLN A 19 9.163 14.540 -25.374 1.00 54.21 C ATOM 327 OE1 GLN A 19 8.728 13.781 -26.241 1.00 15.51 O ATOM 328 NE2 GLN A 19 10.107 14.178 -24.514 1.00 31.51 N ATOM 0 H GLN A 19 5.295 16.687 -23.115 1.00 72.22 H new ATOM 0 HA GLN A 19 6.824 17.905 -25.273 1.00 63.32 H new ATOM 0 HB2 GLN A 19 7.671 16.340 -23.369 1.00 31.31 H new ATOM 0 HB3 GLN A 19 6.947 15.040 -24.295 1.00 31.31 H new ATOM 0 HG2 GLN A 19 8.410 16.350 -26.232 1.00 34.42 H new ATOM 0 HG3 GLN A 19 9.409 16.590 -24.812 1.00 34.42 H new ATOM 0 HE21 GLN A 19 10.438 14.840 -23.812 1.00 31.51 H new ATOM 0 HE22 GLN A 19 10.502 13.238 -24.555 1.00 31.51 H new ATOM 337 N LEU A 20 4.577 17.070 -26.585 1.00 31.23 N ATOM 338 CA LEU A 20 3.779 16.571 -27.700 1.00 1.24 C ATOM 339 C LEU A 20 2.710 17.583 -28.100 1.00 2.12 C ATOM 340 O LEU A 20 2.380 17.721 -29.278 1.00 74.12 O ATOM 341 CB LEU A 20 3.124 15.240 -27.328 1.00 73.12 C ATOM 342 CG LEU A 20 2.005 14.761 -28.255 1.00 24.35 C ATOM 343 CD1 LEU A 20 2.307 13.365 -28.778 1.00 31.03 C ATOM 344 CD2 LEU A 20 0.667 14.783 -27.531 1.00 10.51 C ATOM 0 H LEU A 20 4.298 17.990 -26.245 1.00 31.23 H new ATOM 0 HA LEU A 20 4.443 16.417 -28.550 1.00 1.24 H new ATOM 0 HB2 LEU A 20 3.898 14.473 -27.298 1.00 73.12 H new ATOM 0 HB3 LEU A 20 2.721 15.326 -26.319 1.00 73.12 H new ATOM 0 HG LEU A 20 1.947 15.441 -29.105 1.00 24.35 H new ATOM 0 HD11 LEU A 20 1.501 13.040 -29.436 1.00 31.03 H new ATOM 0 HD12 LEU A 20 3.245 13.380 -29.334 1.00 31.03 H new ATOM 0 HD13 LEU A 20 2.393 12.673 -27.940 1.00 31.03 H new ATOM 0 HD21 LEU A 20 -0.117 14.439 -28.205 1.00 10.51 H new ATOM 0 HD22 LEU A 20 0.712 14.126 -26.662 1.00 10.51 H new ATOM 0 HD23 LEU A 20 0.446 15.800 -27.206 1.00 10.51 H new ATOM 356 N THR A 21 2.174 18.292 -27.111 1.00 75.32 N ATOM 357 CA THR A 21 1.143 19.292 -27.360 1.00 21.13 C ATOM 358 C THR A 21 1.755 20.673 -27.564 1.00 2.05 C ATOM 359 O THR A 21 1.141 21.552 -28.169 1.00 60.32 O ATOM 360 CB THR A 21 0.132 19.357 -26.199 1.00 40.24 C ATOM 361 OG1 THR A 21 -0.401 18.054 -25.940 1.00 22.40 O ATOM 362 CG2 THR A 21 -1.001 20.319 -26.523 1.00 35.23 C ATOM 0 H THR A 21 2.437 18.192 -26.131 1.00 75.32 H new ATOM 0 HA THR A 21 0.622 18.990 -28.269 1.00 21.13 H new ATOM 0 HB THR A 21 0.653 19.718 -25.312 1.00 40.24 H new ATOM 0 HG1 THR A 21 0.123 17.621 -25.234 1.00 22.40 H new ATOM 0 HG21 THR A 21 -1.703 20.349 -25.689 1.00 35.23 H new ATOM 0 HG22 THR A 21 -0.595 21.316 -26.691 1.00 35.23 H new ATOM 0 HG23 THR A 21 -1.519 19.982 -27.421 1.00 35.23 H new ATOM 370 N TYR A 22 2.968 20.858 -27.055 1.00 43.12 N ATOM 371 CA TYR A 22 3.663 22.134 -27.180 1.00 60.13 C ATOM 372 C TYR A 22 5.021 21.951 -27.851 1.00 3.25 C ATOM 373 O TYR A 22 5.859 22.852 -27.834 1.00 42.12 O ATOM 374 CB TYR A 22 3.843 22.777 -25.804 1.00 41.54 C ATOM 375 CG TYR A 22 3.508 24.252 -25.777 1.00 30.41 C ATOM 376 CD1 TYR A 22 2.188 24.685 -25.813 1.00 21.42 C ATOM 377 CD2 TYR A 22 4.511 25.211 -25.716 1.00 54.31 C ATOM 378 CE1 TYR A 22 1.877 26.030 -25.789 1.00 11.44 C ATOM 379 CE2 TYR A 22 4.209 26.559 -25.690 1.00 13.11 C ATOM 380 CZ TYR A 22 2.891 26.964 -25.727 1.00 34.44 C ATOM 381 OH TYR A 22 2.586 28.305 -25.702 1.00 52.32 O ATOM 0 H TYR A 22 3.490 20.141 -26.552 1.00 43.12 H new ATOM 0 HA TYR A 22 3.056 22.790 -27.803 1.00 60.13 H new ATOM 0 HB2 TYR A 22 3.212 22.256 -25.083 1.00 41.54 H new ATOM 0 HB3 TYR A 22 4.875 22.641 -25.481 1.00 41.54 H new ATOM 0 HD1 TYR A 22 1.392 23.957 -25.861 1.00 21.42 H new ATOM 0 HD2 TYR A 22 5.544 24.898 -25.688 1.00 54.31 H new ATOM 0 HE1 TYR A 22 0.846 26.349 -25.819 1.00 11.44 H new ATOM 0 HE2 TYR A 22 5.001 27.292 -25.641 1.00 13.11 H new ATOM 0 HH TYR A 22 3.414 28.828 -25.657 1.00 52.32 H new ATOM 391 N GLU A 23 5.230 20.778 -28.440 1.00 22.13 N ATOM 392 CA GLU A 23 6.487 20.476 -29.116 1.00 15.24 C ATOM 393 C GLU A 23 6.271 20.317 -30.618 1.00 24.41 C ATOM 394 O GLU A 23 7.181 20.548 -31.415 1.00 2.21 O ATOM 395 CB GLU A 23 7.108 19.202 -28.540 1.00 72.11 C ATOM 396 CG GLU A 23 7.865 19.427 -27.242 1.00 65.43 C ATOM 397 CD GLU A 23 9.216 20.081 -27.461 1.00 32.11 C ATOM 398 OE1 GLU A 23 10.084 19.451 -28.100 1.00 4.32 O ATOM 399 OE2 GLU A 23 9.403 21.224 -26.993 1.00 24.42 O ATOM 0 H GLU A 23 4.546 20.022 -28.463 1.00 22.13 H new ATOM 0 HA GLU A 23 7.169 21.310 -28.951 1.00 15.24 H new ATOM 0 HB2 GLU A 23 6.320 18.469 -28.369 1.00 72.11 H new ATOM 0 HB3 GLU A 23 7.787 18.773 -29.277 1.00 72.11 H new ATOM 0 HG2 GLU A 23 7.266 20.052 -26.580 1.00 65.43 H new ATOM 0 HG3 GLU A 23 8.006 18.471 -26.737 1.00 65.43 H new ATOM 406 N HIS A 24 5.061 19.919 -30.998 1.00 22.45 N ATOM 407 CA HIS A 24 4.725 19.728 -32.404 1.00 64.40 C ATOM 408 C HIS A 24 5.084 20.965 -33.221 1.00 40.21 C ATOM 409 O HIS A 24 5.559 20.860 -34.353 1.00 32.35 O ATOM 410 CB HIS A 24 3.237 19.415 -32.557 1.00 15.11 C ATOM 411 CG HIS A 24 2.341 20.510 -32.064 1.00 21.21 C ATOM 412 ND1 HIS A 24 1.434 21.161 -32.872 1.00 52.43 N ATOM 413 CD2 HIS A 24 2.216 21.066 -30.836 1.00 72.31 C ATOM 414 CE1 HIS A 24 0.790 22.072 -32.164 1.00 24.14 C ATOM 415 NE2 HIS A 24 1.246 22.034 -30.924 1.00 61.14 N ATOM 0 H HIS A 24 4.297 19.723 -30.352 1.00 22.45 H new ATOM 0 HA HIS A 24 5.306 18.885 -32.779 1.00 64.40 H new ATOM 0 HB2 HIS A 24 3.020 19.225 -33.608 1.00 15.11 H new ATOM 0 HB3 HIS A 24 3.009 18.498 -32.014 1.00 15.11 H new ATOM 0 HD2 HIS A 24 2.775 20.798 -29.952 1.00 72.31 H new ATOM 0 HE1 HIS A 24 0.022 22.735 -32.535 1.00 24.14 H new ATOM 0 HE2 HIS A 24 0.929 22.627 -30.157 1.00 61.14 H new ATOM 423 N THR A 25 4.853 22.139 -32.641 1.00 61.00 N ATOM 424 CA THR A 25 5.150 23.396 -33.315 1.00 53.45 C ATOM 425 C THR A 25 6.266 24.152 -32.604 1.00 0.12 C ATOM 426 O THR A 25 6.159 25.354 -32.364 1.00 3.40 O ATOM 427 CB THR A 25 3.904 24.299 -33.395 1.00 31.30 C ATOM 428 OG1 THR A 25 3.375 24.520 -32.083 1.00 11.21 O ATOM 429 CG2 THR A 25 2.836 23.671 -34.278 1.00 64.24 C ATOM 0 H THR A 25 4.461 22.245 -31.705 1.00 61.00 H new ATOM 0 HA THR A 25 5.473 23.143 -34.325 1.00 53.45 H new ATOM 0 HB THR A 25 4.201 25.252 -33.833 1.00 31.30 H new ATOM 0 HG1 THR A 25 2.584 25.096 -32.142 1.00 11.21 H new ATOM 0 HG21 THR A 25 1.966 24.327 -34.319 1.00 64.24 H new ATOM 0 HG22 THR A 25 3.232 23.530 -35.284 1.00 64.24 H new ATOM 0 HG23 THR A 25 2.544 22.706 -33.865 1.00 64.24 H new ATOM 437 N MET A 26 7.337 23.440 -32.269 1.00 72.40 N ATOM 438 CA MET A 26 8.474 24.045 -31.586 1.00 21.00 C ATOM 439 C MET A 26 9.740 23.928 -32.429 1.00 52.44 C ATOM 440 O MET A 26 10.259 24.927 -32.930 1.00 55.21 O ATOM 441 CB MET A 26 8.691 23.381 -30.225 1.00 3.01 C ATOM 442 CG MET A 26 8.126 24.180 -29.062 1.00 3.22 C ATOM 443 SD MET A 26 9.141 25.611 -28.644 1.00 23.43 S ATOM 444 CE MET A 26 8.569 25.958 -26.983 1.00 13.24 C ATOM 0 H MET A 26 7.441 22.443 -32.460 1.00 72.40 H new ATOM 0 HA MET A 26 8.255 25.102 -31.436 1.00 21.00 H new ATOM 0 HB2 MET A 26 8.230 22.393 -30.234 1.00 3.01 H new ATOM 0 HB3 MET A 26 9.759 23.233 -30.068 1.00 3.01 H new ATOM 0 HG2 MET A 26 7.119 24.514 -29.311 1.00 3.22 H new ATOM 0 HG3 MET A 26 8.040 23.533 -28.189 1.00 3.22 H new ATOM 0 HE1 MET A 26 9.105 26.820 -26.586 1.00 13.24 H new ATOM 0 HE2 MET A 26 7.501 26.173 -27.004 1.00 13.24 H new ATOM 0 HE3 MET A 26 8.753 25.092 -26.347 1.00 13.24 H new ATOM 454 N LEU A 27 10.232 22.704 -32.583 1.00 4.33 N ATOM 455 CA LEU A 27 11.438 22.457 -33.366 1.00 2.32 C ATOM 456 C LEU A 27 11.086 21.992 -34.775 1.00 64.21 C ATOM 457 O LEU A 27 11.969 21.764 -35.602 1.00 2.52 O ATOM 458 CB LEU A 27 12.314 21.411 -32.674 1.00 74.34 C ATOM 459 CG LEU A 27 13.646 21.913 -32.116 1.00 73.22 C ATOM 460 CD1 LEU A 27 13.985 21.196 -30.819 1.00 22.51 C ATOM 461 CD2 LEU A 27 14.757 21.725 -33.138 1.00 62.44 C ATOM 0 H LEU A 27 9.815 21.867 -32.176 1.00 4.33 H new ATOM 0 HA LEU A 27 11.992 23.393 -33.440 1.00 2.32 H new ATOM 0 HB2 LEU A 27 11.743 20.972 -31.856 1.00 74.34 H new ATOM 0 HB3 LEU A 27 12.519 20.611 -33.385 1.00 74.34 H new ATOM 0 HG LEU A 27 13.551 22.978 -31.904 1.00 73.22 H new ATOM 0 HD11 LEU A 27 14.936 21.566 -30.437 1.00 22.51 H new ATOM 0 HD12 LEU A 27 13.201 21.382 -30.085 1.00 22.51 H new ATOM 0 HD13 LEU A 27 14.061 20.125 -31.005 1.00 22.51 H new ATOM 0 HD21 LEU A 27 15.698 22.088 -32.724 1.00 62.44 H new ATOM 0 HD22 LEU A 27 14.852 20.667 -33.382 1.00 62.44 H new ATOM 0 HD23 LEU A 27 14.519 22.286 -34.042 1.00 62.44 H new ATOM 473 N GLN A 28 9.791 21.854 -35.041 1.00 45.54 N ATOM 474 CA GLN A 28 9.324 21.418 -36.352 1.00 33.34 C ATOM 475 C GLN A 28 8.990 22.614 -37.237 1.00 60.31 C ATOM 476 O GLN A 28 8.257 22.488 -38.218 1.00 52.41 O ATOM 477 CB GLN A 28 8.095 20.519 -36.204 1.00 72.31 C ATOM 478 CG GLN A 28 8.395 19.041 -36.398 1.00 40.24 C ATOM 479 CD GLN A 28 8.542 18.663 -37.859 1.00 64.10 C ATOM 480 OE1 GLN A 28 9.313 19.278 -38.597 1.00 30.32 O ATOM 481 NE2 GLN A 28 7.803 17.646 -38.285 1.00 34.31 N ATOM 0 H GLN A 28 9.047 22.037 -34.367 1.00 45.54 H new ATOM 0 HA GLN A 28 10.126 20.852 -36.826 1.00 33.34 H new ATOM 0 HB2 GLN A 28 7.664 20.667 -35.214 1.00 72.31 H new ATOM 0 HB3 GLN A 28 7.341 20.826 -36.929 1.00 72.31 H new ATOM 0 HG2 GLN A 28 9.312 18.787 -35.867 1.00 40.24 H new ATOM 0 HG3 GLN A 28 7.595 18.450 -35.952 1.00 40.24 H new ATOM 0 HE21 GLN A 28 7.177 17.165 -37.639 1.00 34.31 H new ATOM 0 HE22 GLN A 28 7.861 17.346 -39.258 1.00 34.31 H new ATOM 490 N LYS A 29 9.533 23.774 -36.884 1.00 54.25 N ATOM 491 CA LYS A 29 9.294 24.994 -37.647 1.00 21.02 C ATOM 492 C LYS A 29 7.816 25.370 -37.623 1.00 41.21 C ATOM 493 O LYS A 29 7.340 26.113 -38.482 1.00 12.24 O ATOM 494 CB LYS A 29 9.763 24.816 -39.093 1.00 12.02 C ATOM 495 CG LYS A 29 11.130 24.166 -39.213 1.00 61.33 C ATOM 496 CD LYS A 29 11.547 24.009 -40.666 1.00 71.30 C ATOM 497 CE LYS A 29 13.024 24.317 -40.859 1.00 12.13 C ATOM 498 NZ LYS A 29 13.328 24.720 -42.260 1.00 22.14 N ATOM 0 H LYS A 29 10.142 23.895 -36.074 1.00 54.25 H new ATOM 0 HA LYS A 29 9.863 25.800 -37.184 1.00 21.02 H new ATOM 0 HB2 LYS A 29 9.034 24.210 -39.631 1.00 12.02 H new ATOM 0 HB3 LYS A 29 9.789 25.791 -39.580 1.00 12.02 H new ATOM 0 HG2 LYS A 29 11.868 24.769 -38.685 1.00 61.33 H new ATOM 0 HG3 LYS A 29 11.113 23.189 -38.731 1.00 61.33 H new ATOM 0 HD2 LYS A 29 11.340 22.991 -40.997 1.00 71.30 H new ATOM 0 HD3 LYS A 29 10.951 24.674 -41.291 1.00 71.30 H new ATOM 0 HE2 LYS A 29 13.320 25.116 -40.179 1.00 12.13 H new ATOM 0 HE3 LYS A 29 13.615 23.440 -40.597 1.00 12.13 H new ATOM 0 HZ1 LYS A 29 14.344 24.921 -42.351 1.00 22.14 H new ATOM 0 HZ2 LYS A 29 13.069 23.948 -42.907 1.00 22.14 H new ATOM 0 HZ3 LYS A 29 12.783 25.572 -42.502 1.00 22.14 H new ATOM 512 N LYS A 30 7.095 24.854 -36.634 1.00 33.21 N ATOM 513 CA LYS A 30 5.671 25.137 -36.496 1.00 1.32 C ATOM 514 C LYS A 30 4.995 25.207 -37.861 1.00 43.44 C ATOM 515 O LYS A 30 3.796 24.959 -37.985 1.00 33.33 O ATOM 516 CB LYS A 30 5.463 26.454 -35.744 1.00 32.34 C ATOM 517 CG LYS A 30 5.886 27.680 -36.534 1.00 73.55 C ATOM 518 CD LYS A 30 7.319 28.078 -36.222 1.00 75.41 C ATOM 519 CE LYS A 30 7.993 28.722 -37.424 1.00 35.02 C ATOM 520 NZ LYS A 30 8.619 30.027 -37.075 1.00 12.23 N ATOM 0 H LYS A 30 7.473 24.237 -35.915 1.00 33.21 H new ATOM 0 HA LYS A 30 5.218 24.325 -35.927 1.00 1.32 H new ATOM 0 HB2 LYS A 30 4.410 26.549 -35.479 1.00 32.34 H new ATOM 0 HB3 LYS A 30 6.025 26.422 -34.811 1.00 32.34 H new ATOM 0 HG2 LYS A 30 5.788 27.478 -37.601 1.00 73.55 H new ATOM 0 HG3 LYS A 30 5.219 28.510 -36.304 1.00 73.55 H new ATOM 0 HD2 LYS A 30 7.330 28.772 -35.382 1.00 75.41 H new ATOM 0 HD3 LYS A 30 7.884 27.198 -35.915 1.00 75.41 H new ATOM 0 HE2 LYS A 30 8.754 28.048 -37.818 1.00 35.02 H new ATOM 0 HE3 LYS A 30 7.259 28.872 -38.215 1.00 35.02 H new ATOM 0 HZ1 LYS A 30 9.068 30.434 -37.920 1.00 12.23 H new ATOM 0 HZ2 LYS A 30 7.889 30.679 -36.723 1.00 12.23 H new ATOM 0 HZ3 LYS A 30 9.338 29.881 -36.338 1.00 12.23 H new TER 534 LYS A 30