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= -1.55 X(o=-0.38,f=-0.37) USER MOD Set 1.2: A 25 THR OG1 : rot 53:sc= 1.17 USER MOD Single : A 1 LYS N :NH3+ -178:sc= -0.867 (180deg=-0.899) 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 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 104:sc= 0.815 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -112:sc= 0 (180deg=-1.56) USER MOD Single : A 28 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) 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 0.269 2.835 0.699 1.00 33.21 N ATOM 2 CA LYS A 1 1.176 3.870 0.220 1.00 45.22 C ATOM 3 C LYS A 1 0.700 4.436 -1.114 1.00 44.23 C ATOM 4 O LYS A 1 0.992 5.583 -1.453 1.00 54.43 O ATOM 5 CB LYS A 1 2.592 3.308 0.071 1.00 31.52 C ATOM 6 CG LYS A 1 2.696 2.183 -0.944 1.00 72.14 C ATOM 7 CD LYS A 1 3.714 1.139 -0.518 1.00 62.12 C ATOM 8 CE LYS A 1 3.041 -0.165 -0.117 1.00 45.03 C ATOM 9 NZ LYS A 1 4.014 -1.139 0.451 1.00 60.24 N ATOM 0 H1 LYS A 1 0.595 2.489 1.624 1.00 33.21 H new ATOM 0 H2 LYS A 1 -0.688 3.230 0.795 1.00 33.21 H new ATOM 0 H3 LYS A 1 0.252 2.047 0.021 1.00 33.21 H new ATOM 0 HA LYS A 1 1.187 4.676 0.954 1.00 45.22 H new ATOM 0 HB2 LYS A 1 3.265 4.114 -0.222 1.00 31.52 H new ATOM 0 HB3 LYS A 1 2.933 2.944 1.040 1.00 31.52 H new ATOM 0 HG2 LYS A 1 1.721 1.712 -1.068 1.00 72.14 H new ATOM 0 HG3 LYS A 1 2.978 2.592 -1.914 1.00 72.14 H new ATOM 0 HD2 LYS A 1 4.411 0.954 -1.336 1.00 62.12 H new ATOM 0 HD3 LYS A 1 4.299 1.520 0.319 1.00 62.12 H new ATOM 0 HE2 LYS A 1 2.261 0.039 0.617 1.00 45.03 H new ATOM 0 HE3 LYS A 1 2.553 -0.604 -0.987 1.00 45.03 H new ATOM 0 HZ1 LYS A 1 3.517 -2.014 0.712 1.00 60.24 H new ATOM 0 HZ2 LYS A 1 4.744 -1.354 -0.258 1.00 60.24 H new ATOM 0 HZ3 LYS A 1 4.461 -0.730 1.296 1.00 60.24 H new ATOM 23 N LYS A 2 -0.035 3.625 -1.867 1.00 45.05 N ATOM 24 CA LYS A 2 -0.554 4.045 -3.164 1.00 30.05 C ATOM 25 C LYS A 2 0.574 4.521 -4.073 1.00 52.43 C ATOM 26 O LYS A 2 0.547 5.646 -4.574 1.00 71.32 O ATOM 27 CB LYS A 2 -1.586 5.161 -2.985 1.00 44.21 C ATOM 28 CG LYS A 2 -2.772 4.761 -2.125 1.00 41.30 C ATOM 29 CD LYS A 2 -3.485 3.544 -2.690 1.00 54.51 C ATOM 30 CE LYS A 2 -4.979 3.593 -2.408 1.00 11.13 C ATOM 31 NZ LYS A 2 -5.738 4.196 -3.538 1.00 50.02 N ATOM 0 H LYS A 2 -0.285 2.672 -1.602 1.00 45.05 H new ATOM 0 HA LYS A 2 -1.034 3.186 -3.632 1.00 30.05 H new ATOM 0 HB2 LYS A 2 -1.098 6.027 -2.537 1.00 44.21 H new ATOM 0 HB3 LYS A 2 -1.947 5.471 -3.966 1.00 44.21 H new ATOM 0 HG2 LYS A 2 -2.432 4.547 -1.112 1.00 41.30 H new ATOM 0 HG3 LYS A 2 -3.471 5.595 -2.057 1.00 41.30 H new ATOM 0 HD2 LYS A 2 -3.318 3.490 -3.766 1.00 54.51 H new ATOM 0 HD3 LYS A 2 -3.061 2.638 -2.256 1.00 54.51 H new ATOM 0 HE2 LYS A 2 -5.346 2.584 -2.221 1.00 11.13 H new ATOM 0 HE3 LYS A 2 -5.158 4.170 -1.501 1.00 11.13 H new ATOM 0 HZ1 LYS A 2 -6.752 4.211 -3.306 1.00 50.02 H new ATOM 0 HZ2 LYS A 2 -5.405 5.168 -3.700 1.00 50.02 H new ATOM 0 HZ3 LYS A 2 -5.588 3.631 -4.398 1.00 50.02 H new ATOM 45 N ARG A 3 1.563 3.659 -4.284 1.00 33.33 N ATOM 46 CA ARG A 3 2.699 3.992 -5.134 1.00 24.04 C ATOM 47 C ARG A 3 2.279 4.069 -6.598 1.00 72.14 C ATOM 48 O ARG A 3 2.545 5.059 -7.280 1.00 63.12 O ATOM 49 CB ARG A 3 3.811 2.955 -4.965 1.00 30.41 C ATOM 50 CG ARG A 3 5.202 3.504 -5.235 1.00 24.41 C ATOM 51 CD ARG A 3 5.836 4.061 -3.970 1.00 44.22 C ATOM 52 NE ARG A 3 5.998 5.511 -4.032 1.00 41.34 N ATOM 53 CZ ARG A 3 6.260 6.268 -2.972 1.00 74.23 C ATOM 54 NH1 ARG A 3 6.389 5.714 -1.774 1.00 52.34 N ATOM 55 NH2 ARG A 3 6.393 7.581 -3.109 1.00 71.13 N ATOM 0 H ARG A 3 1.600 2.724 -3.878 1.00 33.33 H new ATOM 0 HA ARG A 3 3.074 4.969 -4.830 1.00 24.04 H new ATOM 0 HB2 ARG A 3 3.776 2.560 -3.950 1.00 30.41 H new ATOM 0 HB3 ARG A 3 3.622 2.119 -5.639 1.00 30.41 H new ATOM 0 HG2 ARG A 3 5.833 2.714 -5.642 1.00 24.41 H new ATOM 0 HG3 ARG A 3 5.145 4.288 -5.990 1.00 24.41 H new ATOM 0 HD2 ARG A 3 5.218 3.802 -3.110 1.00 44.22 H new ATOM 0 HD3 ARG A 3 6.809 3.594 -3.816 1.00 44.22 H new ATOM 0 HE ARG A 3 5.905 5.968 -4.939 1.00 41.34 H new ATOM 0 HH11 ARG A 3 6.287 4.705 -1.665 1.00 52.34 H new ATOM 0 HH12 ARG A 3 6.590 6.297 -0.962 1.00 52.34 H new ATOM 0 HH21 ARG A 3 6.294 8.010 -4.029 1.00 71.13 H new ATOM 0 HH22 ARG A 3 6.594 8.161 -2.294 1.00 71.13 H new ATOM 69 N TYR A 4 1.621 3.018 -7.076 1.00 24.04 N ATOM 70 CA TYR A 4 1.167 2.965 -8.460 1.00 34.01 C ATOM 71 C TYR A 4 -0.279 3.438 -8.577 1.00 32.51 C ATOM 72 O TYR A 4 -1.128 2.744 -9.137 1.00 32.11 O ATOM 73 CB TYR A 4 1.296 1.542 -9.007 1.00 52.40 C ATOM 74 CG TYR A 4 2.664 0.935 -8.797 1.00 23.32 C ATOM 75 CD1 TYR A 4 3.814 1.616 -9.177 1.00 2.24 C ATOM 76 CD2 TYR A 4 2.808 -0.321 -8.220 1.00 15.24 C ATOM 77 CE1 TYR A 4 5.067 1.065 -8.987 1.00 74.23 C ATOM 78 CE2 TYR A 4 4.056 -0.879 -8.025 1.00 71.30 C ATOM 79 CZ TYR A 4 5.182 -0.183 -8.411 1.00 3.13 C ATOM 80 OH TYR A 4 6.428 -0.736 -8.220 1.00 34.41 O ATOM 0 H TYR A 4 1.390 2.191 -6.525 1.00 24.04 H new ATOM 0 HA TYR A 4 1.797 3.632 -9.049 1.00 34.01 H new ATOM 0 HB2 TYR A 4 0.549 0.909 -8.528 1.00 52.40 H new ATOM 0 HB3 TYR A 4 1.071 1.550 -10.073 1.00 52.40 H new ATOM 0 HD1 TYR A 4 3.727 2.593 -9.629 1.00 2.24 H new ATOM 0 HD2 TYR A 4 1.928 -0.870 -7.919 1.00 15.24 H new ATOM 0 HE1 TYR A 4 5.951 1.608 -9.288 1.00 74.23 H new ATOM 0 HE2 TYR A 4 4.150 -1.855 -7.573 1.00 71.30 H new ATOM 0 HH TYR A 4 6.334 -1.618 -7.802 1.00 34.41 H new ATOM 90 N VAL A 5 -0.552 4.625 -8.044 1.00 61.52 N ATOM 91 CA VAL A 5 -1.894 5.193 -8.089 1.00 61.34 C ATOM 92 C VAL A 5 -1.844 6.711 -8.220 1.00 22.23 C ATOM 93 O VAL A 5 -2.607 7.304 -8.981 1.00 14.12 O ATOM 94 CB VAL A 5 -2.703 4.823 -6.832 1.00 23.22 C ATOM 95 CG1 VAL A 5 -4.120 5.365 -6.930 1.00 14.22 C ATOM 96 CG2 VAL A 5 -2.713 3.315 -6.630 1.00 4.14 C ATOM 0 H VAL A 5 0.139 5.212 -7.576 1.00 61.52 H new ATOM 0 HA VAL A 5 -2.387 4.772 -8.965 1.00 61.34 H new ATOM 0 HB VAL A 5 -2.224 5.280 -5.966 1.00 23.22 H new ATOM 0 HG11 VAL A 5 -4.676 5.094 -6.033 1.00 14.22 H new ATOM 0 HG12 VAL A 5 -4.089 6.451 -7.023 1.00 14.22 H new ATOM 0 HG13 VAL A 5 -4.612 4.940 -7.805 1.00 14.22 H new ATOM 0 HG21 VAL A 5 -3.289 3.071 -5.737 1.00 4.14 H new ATOM 0 HG22 VAL A 5 -3.167 2.835 -7.497 1.00 4.14 H new ATOM 0 HG23 VAL A 5 -1.690 2.957 -6.511 1.00 4.14 H new ATOM 106 N ALA A 6 -0.939 7.334 -7.472 1.00 21.10 N ATOM 107 CA ALA A 6 -0.787 8.783 -7.506 1.00 11.23 C ATOM 108 C ALA A 6 0.360 9.194 -8.423 1.00 74.22 C ATOM 109 O ALA A 6 0.378 10.306 -8.949 1.00 2.30 O ATOM 110 CB ALA A 6 -0.561 9.323 -6.101 1.00 60.12 C ATOM 0 H ALA A 6 -0.300 6.858 -6.835 1.00 21.10 H new ATOM 0 HA ALA A 6 -1.707 9.210 -7.905 1.00 11.23 H new ATOM 0 HB1 ALA A 6 -0.449 10.406 -6.141 1.00 60.12 H new ATOM 0 HB2 ALA A 6 -1.414 9.069 -5.472 1.00 60.12 H new ATOM 0 HB3 ALA A 6 0.343 8.880 -5.682 1.00 60.12 H new ATOM 116 N MET A 7 1.315 8.289 -8.610 1.00 73.24 N ATOM 117 CA MET A 7 2.465 8.558 -9.465 1.00 70.14 C ATOM 118 C MET A 7 2.387 7.745 -10.754 1.00 55.40 C ATOM 119 O MET A 7 3.407 7.446 -11.374 1.00 21.11 O ATOM 120 CB MET A 7 3.764 8.237 -8.725 1.00 24.35 C ATOM 121 CG MET A 7 4.714 9.419 -8.623 1.00 65.05 C ATOM 122 SD MET A 7 6.266 8.995 -7.809 1.00 44.31 S ATOM 123 CE MET A 7 6.072 9.848 -6.246 1.00 30.53 C ATOM 0 H MET A 7 1.315 7.364 -8.181 1.00 73.24 H new ATOM 0 HA MET A 7 2.454 9.617 -9.723 1.00 70.14 H new ATOM 0 HB2 MET A 7 3.524 7.887 -7.721 1.00 24.35 H new ATOM 0 HB3 MET A 7 4.270 7.418 -9.235 1.00 24.35 H new ATOM 0 HG2 MET A 7 4.925 9.798 -9.623 1.00 65.05 H new ATOM 0 HG3 MET A 7 4.228 10.224 -8.073 1.00 65.05 H new ATOM 0 HE1 MET A 7 6.955 9.681 -5.628 1.00 30.53 H new ATOM 0 HE2 MET A 7 5.952 10.916 -6.427 1.00 30.53 H new ATOM 0 HE3 MET A 7 5.191 9.466 -5.730 1.00 30.53 H new ATOM 133 N VAL A 8 1.169 7.391 -11.152 1.00 14.02 N ATOM 134 CA VAL A 8 0.957 6.614 -12.367 1.00 63.31 C ATOM 135 C VAL A 8 0.079 7.370 -13.358 1.00 2.25 C ATOM 136 O VAL A 8 0.249 7.250 -14.571 1.00 64.11 O ATOM 137 CB VAL A 8 0.307 5.252 -12.057 1.00 11.53 C ATOM 138 CG1 VAL A 8 -1.032 5.446 -11.361 1.00 4.43 C ATOM 139 CG2 VAL A 8 0.142 4.439 -13.331 1.00 75.42 C ATOM 0 H VAL A 8 0.314 7.630 -10.650 1.00 14.02 H new ATOM 0 HA VAL A 8 1.939 6.447 -12.810 1.00 63.31 H new ATOM 0 HB VAL A 8 0.963 4.700 -11.384 1.00 11.53 H new ATOM 0 HG11 VAL A 8 -1.477 4.473 -11.150 1.00 4.43 H new ATOM 0 HG12 VAL A 8 -0.881 5.987 -10.427 1.00 4.43 H new ATOM 0 HG13 VAL A 8 -1.699 6.017 -12.007 1.00 4.43 H new ATOM 0 HG21 VAL A 8 -0.319 3.480 -13.094 1.00 75.42 H new ATOM 0 HG22 VAL A 8 -0.493 4.983 -14.030 1.00 75.42 H new ATOM 0 HG23 VAL A 8 1.119 4.270 -13.784 1.00 75.42 H new ATOM 149 N ILE A 9 -0.860 8.150 -12.832 1.00 24.21 N ATOM 150 CA ILE A 9 -1.764 8.927 -13.670 1.00 44.41 C ATOM 151 C ILE A 9 -1.353 10.395 -13.708 1.00 5.44 C ATOM 152 O ILE A 9 -1.655 11.111 -14.662 1.00 73.14 O ATOM 153 CB ILE A 9 -3.218 8.826 -13.175 1.00 33.25 C ATOM 154 CG1 ILE A 9 -3.673 7.365 -13.157 1.00 53.14 C ATOM 155 CG2 ILE A 9 -4.137 9.662 -14.053 1.00 3.10 C ATOM 156 CD1 ILE A 9 -5.092 7.180 -12.666 1.00 22.12 C ATOM 0 H ILE A 9 -1.014 8.260 -11.830 1.00 24.21 H new ATOM 0 HA ILE A 9 -1.701 8.508 -14.674 1.00 44.41 H new ATOM 0 HB ILE A 9 -3.268 9.215 -12.158 1.00 33.25 H new ATOM 0 HG12 ILE A 9 -3.589 6.954 -14.163 1.00 53.14 H new ATOM 0 HG13 ILE A 9 -2.999 6.791 -12.521 1.00 53.14 H new ATOM 0 HG21 ILE A 9 -5.161 9.580 -13.690 1.00 3.10 H new ATOM 0 HG22 ILE A 9 -3.823 10.705 -14.019 1.00 3.10 H new ATOM 0 HG23 ILE A 9 -4.086 9.301 -15.080 1.00 3.10 H new ATOM 0 HD11 ILE A 9 -5.347 6.120 -12.680 1.00 22.12 H new ATOM 0 HD12 ILE A 9 -5.177 7.560 -11.648 1.00 22.12 H new ATOM 0 HD13 ILE A 9 -5.776 7.726 -13.316 1.00 22.12 H new ATOM 168 N TRP A 10 -0.660 10.837 -12.664 1.00 31.42 N ATOM 169 CA TRP A 10 -0.205 12.220 -12.578 1.00 73.21 C ATOM 170 C TRP A 10 0.750 12.550 -13.719 1.00 44.32 C ATOM 171 O TRP A 10 0.663 13.619 -14.325 1.00 44.22 O ATOM 172 CB TRP A 10 0.480 12.471 -11.234 1.00 32.43 C ATOM 173 CG TRP A 10 -0.427 13.085 -10.211 1.00 3.53 C ATOM 174 CD1 TRP A 10 -0.283 14.306 -9.616 1.00 45.41 C ATOM 175 CD2 TRP A 10 -1.616 12.507 -9.661 1.00 43.22 C ATOM 176 NE1 TRP A 10 -1.310 14.522 -8.730 1.00 14.00 N ATOM 177 CE2 TRP A 10 -2.142 13.434 -8.740 1.00 30.32 C ATOM 178 CE3 TRP A 10 -2.288 11.298 -9.859 1.00 40.33 C ATOM 179 CZ2 TRP A 10 -3.307 13.186 -8.019 1.00 53.22 C ATOM 180 CZ3 TRP A 10 -3.444 11.054 -9.143 1.00 52.11 C ATOM 181 CH2 TRP A 10 -3.945 11.994 -8.233 1.00 0.42 C ATOM 0 H TRP A 10 -0.401 10.258 -11.865 1.00 31.42 H new ATOM 0 HA TRP A 10 -1.077 12.869 -12.659 1.00 73.21 H new ATOM 0 HB2 TRP A 10 0.865 11.527 -10.848 1.00 32.43 H new ATOM 0 HB3 TRP A 10 1.338 13.125 -11.388 1.00 32.43 H new ATOM 0 HD1 TRP A 10 0.521 15.000 -9.813 1.00 45.41 H new ATOM 0 HE1 TRP A 10 -1.433 15.357 -8.157 1.00 14.00 H new ATOM 0 HE3 TRP A 10 -1.910 10.567 -10.559 1.00 40.33 H new ATOM 0 HZ2 TRP A 10 -3.694 13.909 -7.316 1.00 53.22 H new ATOM 0 HZ3 TRP A 10 -3.971 10.122 -9.287 1.00 52.11 H new ATOM 0 HH2 TRP A 10 -4.852 11.774 -7.690 1.00 0.42 H new ATOM 192 N LEU A 11 1.662 11.628 -14.008 1.00 34.21 N ATOM 193 CA LEU A 11 2.634 11.822 -15.078 1.00 22.43 C ATOM 194 C LEU A 11 2.057 11.394 -16.423 1.00 35.40 C ATOM 195 O LEU A 11 2.471 11.886 -17.473 1.00 15.02 O ATOM 196 CB LEU A 11 3.910 11.031 -14.783 1.00 42.10 C ATOM 197 CG LEU A 11 4.509 11.219 -13.389 1.00 4.22 C ATOM 198 CD1 LEU A 11 4.968 9.885 -12.821 1.00 2.24 C ATOM 199 CD2 LEU A 11 5.665 12.208 -13.434 1.00 64.31 C ATOM 0 H LEU A 11 1.749 10.739 -13.516 1.00 34.21 H new ATOM 0 HA LEU A 11 2.875 12.884 -15.129 1.00 22.43 H new ATOM 0 HB2 LEU A 11 3.698 9.971 -14.925 1.00 42.10 H new ATOM 0 HB3 LEU A 11 4.663 11.307 -15.521 1.00 42.10 H new ATOM 0 HG LEU A 11 3.737 11.623 -12.734 1.00 4.22 H new ATOM 0 HD11 LEU A 11 5.392 10.039 -11.828 1.00 2.24 H new ATOM 0 HD12 LEU A 11 4.117 9.207 -12.752 1.00 2.24 H new ATOM 0 HD13 LEU A 11 5.725 9.452 -13.475 1.00 2.24 H new ATOM 0 HD21 LEU A 11 6.079 12.329 -12.433 1.00 64.31 H new ATOM 0 HD22 LEU A 11 6.439 11.833 -14.104 1.00 64.31 H new ATOM 0 HD23 LEU A 11 5.306 13.171 -13.797 1.00 64.31 H new ATOM 211 N TYR A 12 1.097 10.476 -16.384 1.00 20.13 N ATOM 212 CA TYR A 12 0.462 9.981 -17.600 1.00 1.44 C ATOM 213 C TYR A 12 -0.043 11.136 -18.459 1.00 13.43 C ATOM 214 O TYR A 12 -0.099 11.035 -19.684 1.00 52.22 O ATOM 215 CB TYR A 12 -0.696 9.046 -17.251 1.00 34.43 C ATOM 216 CG TYR A 12 -0.887 7.921 -18.244 1.00 4.24 C ATOM 217 CD1 TYR A 12 0.061 6.912 -18.370 1.00 14.31 C ATOM 218 CD2 TYR A 12 -2.012 7.868 -19.056 1.00 34.02 C ATOM 219 CE1 TYR A 12 -0.108 5.883 -19.276 1.00 54.31 C ATOM 220 CE2 TYR A 12 -2.190 6.842 -19.964 1.00 15.14 C ATOM 221 CZ TYR A 12 -1.236 5.852 -20.070 1.00 42.32 C ATOM 222 OH TYR A 12 -1.409 4.829 -20.974 1.00 43.54 O ATOM 0 H TYR A 12 0.742 10.060 -15.523 1.00 20.13 H new ATOM 0 HA TYR A 12 1.208 9.427 -18.170 1.00 1.44 H new ATOM 0 HB2 TYR A 12 -0.523 8.621 -16.262 1.00 34.43 H new ATOM 0 HB3 TYR A 12 -1.616 9.627 -17.192 1.00 34.43 H new ATOM 0 HD1 TYR A 12 0.944 6.933 -17.749 1.00 14.31 H new ATOM 0 HD2 TYR A 12 -2.761 8.642 -18.976 1.00 34.02 H new ATOM 0 HE1 TYR A 12 0.638 5.107 -19.362 1.00 54.31 H new ATOM 0 HE2 TYR A 12 -3.072 6.816 -20.587 1.00 15.14 H new ATOM 0 HH TYR A 12 -2.255 4.955 -21.453 1.00 43.54 H new ATOM 232 N SER A 13 -0.410 12.235 -17.806 1.00 31.52 N ATOM 233 CA SER A 13 -0.914 13.409 -18.508 1.00 72.10 C ATOM 234 C SER A 13 -0.020 14.619 -18.254 1.00 74.00 C ATOM 235 O SER A 13 -0.471 15.762 -18.320 1.00 13.13 O ATOM 236 CB SER A 13 -2.346 13.717 -18.067 1.00 54.14 C ATOM 237 OG SER A 13 -3.222 13.770 -19.180 1.00 72.32 O ATOM 0 H SER A 13 -0.367 12.336 -16.792 1.00 31.52 H new ATOM 0 HA SER A 13 -0.909 13.193 -19.576 1.00 72.10 H new ATOM 0 HB2 SER A 13 -2.687 12.953 -17.368 1.00 54.14 H new ATOM 0 HB3 SER A 13 -2.370 14.669 -17.536 1.00 54.14 H new ATOM 0 HG SER A 13 -4.131 13.967 -18.872 1.00 72.32 H new ATOM 243 N ALA A 14 1.250 14.358 -17.963 1.00 71.25 N ATOM 244 CA ALA A 14 2.208 15.424 -17.701 1.00 44.24 C ATOM 245 C ALA A 14 3.410 15.324 -18.634 1.00 63.45 C ATOM 246 O ALA A 14 3.960 16.337 -19.067 1.00 53.00 O ATOM 247 CB ALA A 14 2.660 15.382 -16.249 1.00 43.41 C ATOM 0 H ALA A 14 1.639 13.417 -17.903 1.00 71.25 H new ATOM 0 HA ALA A 14 1.714 16.377 -17.889 1.00 44.24 H new ATOM 0 HB1 ALA A 14 3.376 16.184 -16.067 1.00 43.41 H new ATOM 0 HB2 ALA A 14 1.797 15.511 -15.595 1.00 43.41 H new ATOM 0 HB3 ALA A 14 3.132 14.421 -16.042 1.00 43.41 H new ATOM 253 N PHE A 15 3.815 14.095 -18.941 1.00 13.33 N ATOM 254 CA PHE A 15 4.953 13.863 -19.822 1.00 23.44 C ATOM 255 C PHE A 15 4.515 13.843 -21.283 1.00 61.01 C ATOM 256 O PHE A 15 5.213 14.355 -22.158 1.00 41.23 O ATOM 257 CB PHE A 15 5.639 12.542 -19.465 1.00 43.13 C ATOM 258 CG PHE A 15 6.708 12.140 -20.441 1.00 24.25 C ATOM 259 CD1 PHE A 15 7.907 12.832 -20.499 1.00 25.44 C ATOM 260 CD2 PHE A 15 6.515 11.070 -21.299 1.00 35.52 C ATOM 261 CE1 PHE A 15 8.892 12.464 -21.396 1.00 24.14 C ATOM 262 CE2 PHE A 15 7.496 10.697 -22.198 1.00 21.23 C ATOM 263 CZ PHE A 15 8.687 11.394 -22.245 1.00 41.54 C ATOM 0 H PHE A 15 3.372 13.245 -18.592 1.00 13.33 H new ATOM 0 HA PHE A 15 5.660 14.681 -19.685 1.00 23.44 H new ATOM 0 HB2 PHE A 15 6.079 12.627 -18.471 1.00 43.13 H new ATOM 0 HB3 PHE A 15 4.888 11.753 -19.415 1.00 43.13 H new ATOM 0 HD1 PHE A 15 8.074 13.668 -19.836 1.00 25.44 H new ATOM 0 HD2 PHE A 15 5.586 10.520 -21.265 1.00 35.52 H new ATOM 0 HE1 PHE A 15 9.821 13.013 -21.433 1.00 24.14 H new ATOM 0 HE2 PHE A 15 7.331 9.862 -22.863 1.00 21.23 H new ATOM 0 HZ PHE A 15 9.457 11.103 -22.944 1.00 41.54 H new ATOM 273 N ARG A 16 3.355 13.248 -21.539 1.00 32.43 N ATOM 274 CA ARG A 16 2.824 13.159 -22.894 1.00 33.04 C ATOM 275 C ARG A 16 1.969 14.379 -23.223 1.00 53.12 C ATOM 276 O ARG A 16 1.921 14.825 -24.369 1.00 11.23 O ATOM 277 CB ARG A 16 1.995 11.883 -23.057 1.00 44.31 C ATOM 278 CG ARG A 16 0.653 11.933 -22.346 1.00 51.41 C ATOM 279 CD ARG A 16 -0.459 12.375 -23.285 1.00 44.12 C ATOM 280 NE ARG A 16 -1.565 11.422 -23.310 1.00 13.54 N ATOM 281 CZ ARG A 16 -1.519 10.258 -23.947 1.00 25.23 C ATOM 282 NH1 ARG A 16 -0.425 9.904 -24.608 1.00 33.51 N ATOM 283 NH2 ARG A 16 -2.567 9.444 -23.923 1.00 4.44 N ATOM 0 H ARG A 16 2.765 12.820 -20.826 1.00 32.43 H new ATOM 0 HA ARG A 16 3.665 13.128 -23.586 1.00 33.04 H new ATOM 0 HB2 ARG A 16 1.827 11.702 -24.119 1.00 44.31 H new ATOM 0 HB3 ARG A 16 2.567 11.037 -22.676 1.00 44.31 H new ATOM 0 HG2 ARG A 16 0.418 10.949 -21.940 1.00 51.41 H new ATOM 0 HG3 ARG A 16 0.713 12.620 -21.502 1.00 51.41 H new ATOM 0 HD2 ARG A 16 -0.829 13.352 -22.974 1.00 44.12 H new ATOM 0 HD3 ARG A 16 -0.058 12.492 -24.292 1.00 44.12 H new ATOM 0 HE ARG A 16 -2.421 11.664 -22.810 1.00 13.54 H new ATOM 0 HH11 ARG A 16 0.383 10.526 -24.628 1.00 33.51 H new ATOM 0 HH12 ARG A 16 -0.392 9.009 -25.097 1.00 33.51 H new ATOM 0 HH21 ARG A 16 -3.410 9.712 -23.415 1.00 4.44 H new ATOM 0 HH22 ARG A 16 -2.530 8.550 -24.413 1.00 4.44 H new ATOM 297 N GLY A 17 1.294 14.914 -22.210 1.00 0.11 N ATOM 298 CA GLY A 17 0.450 16.077 -22.413 1.00 35.34 C ATOM 299 C GLY A 17 1.228 17.280 -22.906 1.00 62.14 C ATOM 300 O GLY A 17 0.661 18.190 -23.511 1.00 0.34 O ATOM 0 H GLY A 17 1.317 14.563 -21.253 1.00 0.11 H new ATOM 0 HA2 GLY A 17 -0.331 15.834 -23.133 1.00 35.34 H new ATOM 0 HA3 GLY A 17 -0.047 16.329 -21.476 1.00 35.34 H new ATOM 304 N VAL A 18 2.532 17.286 -22.648 1.00 20.13 N ATOM 305 CA VAL A 18 3.390 18.387 -23.070 1.00 20.35 C ATOM 306 C VAL A 18 4.162 18.028 -24.334 1.00 52.45 C ATOM 307 O VAL A 18 4.352 18.867 -25.215 1.00 22.21 O ATOM 308 CB VAL A 18 4.390 18.775 -21.964 1.00 32.51 C ATOM 309 CG1 VAL A 18 5.138 20.044 -22.342 1.00 23.42 C ATOM 310 CG2 VAL A 18 3.672 18.945 -20.633 1.00 43.13 C ATOM 0 H VAL A 18 3.017 16.541 -22.149 1.00 20.13 H new ATOM 0 HA VAL A 18 2.738 19.236 -23.274 1.00 20.35 H new ATOM 0 HB VAL A 18 5.118 17.971 -21.858 1.00 32.51 H new ATOM 0 HG11 VAL A 18 5.840 20.303 -21.549 1.00 23.42 H new ATOM 0 HG12 VAL A 18 5.684 19.881 -23.271 1.00 23.42 H new ATOM 0 HG13 VAL A 18 4.427 20.859 -22.477 1.00 23.42 H new ATOM 0 HG21 VAL A 18 4.393 19.219 -19.863 1.00 43.13 H new ATOM 0 HG22 VAL A 18 2.921 19.730 -20.722 1.00 43.13 H new ATOM 0 HG23 VAL A 18 3.187 18.008 -20.359 1.00 43.13 H new ATOM 320 N GLN A 19 4.603 16.777 -24.417 1.00 40.44 N ATOM 321 CA GLN A 19 5.355 16.308 -25.575 1.00 53.25 C ATOM 322 C GLN A 19 4.418 15.953 -26.725 1.00 74.30 C ATOM 323 O GLN A 19 4.421 14.823 -27.216 1.00 33.13 O ATOM 324 CB GLN A 19 6.205 15.093 -25.200 1.00 54.11 C ATOM 325 CG GLN A 19 7.308 15.407 -24.203 1.00 2.10 C ATOM 326 CD GLN A 19 8.650 15.637 -24.870 1.00 71.54 C ATOM 327 OE1 GLN A 19 9.137 16.765 -24.940 1.00 13.40 O ATOM 328 NE2 GLN A 19 9.256 14.564 -25.366 1.00 31.10 N ATOM 0 H GLN A 19 4.453 16.070 -23.697 1.00 40.44 H new ATOM 0 HA GLN A 19 6.012 17.115 -25.901 1.00 53.25 H new ATOM 0 HB2 GLN A 19 5.558 14.322 -24.782 1.00 54.11 H new ATOM 0 HB3 GLN A 19 6.651 14.679 -26.104 1.00 54.11 H new ATOM 0 HG2 GLN A 19 7.034 16.294 -23.631 1.00 2.10 H new ATOM 0 HG3 GLN A 19 7.396 14.585 -23.493 1.00 2.10 H new ATOM 0 HE21 GLN A 19 8.816 13.647 -25.286 1.00 31.10 H new ATOM 0 HE22 GLN A 19 10.161 14.657 -25.827 1.00 31.10 H new ATOM 337 N LEU A 20 3.616 16.923 -27.150 1.00 44.22 N ATOM 338 CA LEU A 20 2.673 16.713 -28.243 1.00 32.23 C ATOM 339 C LEU A 20 1.960 18.012 -28.604 1.00 60.15 C ATOM 340 O LEU A 20 1.680 18.275 -29.775 1.00 22.14 O ATOM 341 CB LEU A 20 1.647 15.645 -27.859 1.00 22.15 C ATOM 342 CG LEU A 20 0.533 15.388 -28.874 1.00 1.01 C ATOM 343 CD1 LEU A 20 0.978 14.364 -29.906 1.00 73.34 C ATOM 344 CD2 LEU A 20 -0.733 14.923 -28.170 1.00 14.31 C ATOM 0 H LEU A 20 3.600 17.863 -26.754 1.00 44.22 H new ATOM 0 HA LEU A 20 3.234 16.374 -29.114 1.00 32.23 H new ATOM 0 HB2 LEU A 20 2.176 14.708 -27.685 1.00 22.15 H new ATOM 0 HB3 LEU A 20 1.189 15.933 -26.913 1.00 22.15 H new ATOM 0 HG LEU A 20 0.315 16.323 -29.390 1.00 1.01 H new ATOM 0 HD11 LEU A 20 0.172 14.194 -30.620 1.00 73.34 H new ATOM 0 HD12 LEU A 20 1.857 14.736 -30.432 1.00 73.34 H new ATOM 0 HD13 LEU A 20 1.224 13.427 -29.406 1.00 73.34 H new ATOM 0 HD21 LEU A 20 -1.515 14.745 -28.908 1.00 14.31 H new ATOM 0 HD22 LEU A 20 -0.529 14.000 -27.627 1.00 14.31 H new ATOM 0 HD23 LEU A 20 -1.063 15.691 -27.470 1.00 14.31 H new ATOM 356 N THR A 21 1.670 18.824 -27.592 1.00 71.52 N ATOM 357 CA THR A 21 0.991 20.096 -27.803 1.00 61.20 C ATOM 358 C THR A 21 1.993 21.225 -28.015 1.00 11.11 C ATOM 359 O THR A 21 1.661 22.264 -28.587 1.00 33.51 O ATOM 360 CB THR A 21 0.079 20.450 -26.613 1.00 44.11 C ATOM 361 OG1 THR A 21 -0.228 19.270 -25.863 1.00 73.43 O ATOM 362 CG2 THR A 21 -1.208 21.102 -27.093 1.00 54.03 C ATOM 0 H THR A 21 1.895 18.623 -26.618 1.00 71.52 H new ATOM 0 HA THR A 21 0.380 19.984 -28.698 1.00 61.20 H new ATOM 0 HB THR A 21 0.609 21.157 -25.975 1.00 44.11 H new ATOM 0 HG1 THR A 21 0.301 19.260 -25.038 1.00 73.43 H new ATOM 0 HG21 THR A 21 -1.836 21.343 -26.235 1.00 54.03 H new ATOM 0 HG22 THR A 21 -0.972 22.016 -27.638 1.00 54.03 H new ATOM 0 HG23 THR A 21 -1.741 20.415 -27.751 1.00 54.03 H new ATOM 370 N TYR A 22 3.220 21.016 -27.551 1.00 71.42 N ATOM 371 CA TYR A 22 4.270 22.018 -27.689 1.00 22.44 C ATOM 372 C TYR A 22 5.490 21.435 -28.397 1.00 34.03 C ATOM 373 O TYR A 22 6.561 22.040 -28.408 1.00 62.43 O ATOM 374 CB TYR A 22 4.673 22.556 -26.315 1.00 4.02 C ATOM 375 CG TYR A 22 4.835 24.059 -26.277 1.00 73.10 C ATOM 376 CD1 TYR A 22 3.746 24.900 -26.473 1.00 21.42 C ATOM 377 CD2 TYR A 22 6.076 24.638 -26.045 1.00 2.25 C ATOM 378 CE1 TYR A 22 3.889 26.273 -26.440 1.00 3.12 C ATOM 379 CE2 TYR A 22 6.228 26.011 -26.008 1.00 65.24 C ATOM 380 CZ TYR A 22 5.132 26.824 -26.207 1.00 62.11 C ATOM 381 OH TYR A 22 5.279 28.192 -26.172 1.00 73.31 O ATOM 0 H TYR A 22 3.512 20.162 -27.076 1.00 71.42 H new ATOM 0 HA TYR A 22 3.879 22.837 -28.293 1.00 22.44 H new ATOM 0 HB2 TYR A 22 3.920 22.261 -25.584 1.00 4.02 H new ATOM 0 HB3 TYR A 22 5.611 22.090 -26.012 1.00 4.02 H new ATOM 0 HD1 TYR A 22 2.771 24.472 -26.654 1.00 21.42 H new ATOM 0 HD2 TYR A 22 6.937 24.004 -25.891 1.00 2.25 H new ATOM 0 HE1 TYR A 22 3.032 26.912 -26.596 1.00 3.12 H new ATOM 0 HE2 TYR A 22 7.200 26.445 -25.824 1.00 65.24 H new ATOM 0 HH TYR A 22 6.217 28.416 -25.996 1.00 73.31 H new ATOM 391 N GLU A 23 5.316 20.256 -28.987 1.00 1.42 N ATOM 392 CA GLU A 23 6.402 19.591 -29.697 1.00 40.43 C ATOM 393 C GLU A 23 6.112 19.523 -31.194 1.00 12.41 C ATOM 394 O GLU A 23 7.028 19.446 -32.013 1.00 4.34 O ATOM 395 CB GLU A 23 6.615 18.181 -29.143 1.00 43.14 C ATOM 396 CG GLU A 23 7.410 18.149 -27.849 1.00 12.44 C ATOM 397 CD GLU A 23 8.882 18.444 -28.060 1.00 62.52 C ATOM 398 OE1 GLU A 23 9.557 17.636 -28.732 1.00 23.40 O ATOM 399 OE2 GLU A 23 9.359 19.481 -27.554 1.00 64.44 O ATOM 0 H GLU A 23 4.435 19.743 -28.987 1.00 1.42 H new ATOM 0 HA GLU A 23 7.311 20.174 -29.547 1.00 40.43 H new ATOM 0 HB2 GLU A 23 5.644 17.715 -28.974 1.00 43.14 H new ATOM 0 HB3 GLU A 23 7.131 17.580 -29.892 1.00 43.14 H new ATOM 0 HG2 GLU A 23 6.994 18.878 -27.153 1.00 12.44 H new ATOM 0 HG3 GLU A 23 7.303 17.168 -27.386 1.00 12.44 H new ATOM 406 N HIS A 24 4.830 19.552 -31.544 1.00 33.20 N ATOM 407 CA HIS A 24 4.417 19.493 -32.942 1.00 5.51 C ATOM 408 C HIS A 24 5.149 20.547 -33.769 1.00 23.55 C ATOM 409 O HIS A 24 5.547 20.293 -34.906 1.00 61.31 O ATOM 410 CB HIS A 24 2.907 19.696 -33.059 1.00 15.01 C ATOM 411 CG HIS A 24 2.436 21.013 -32.524 1.00 54.30 C ATOM 412 ND1 HIS A 24 1.824 21.968 -33.308 1.00 14.50 N ATOM 413 CD2 HIS A 24 2.488 21.532 -31.275 1.00 23.53 C ATOM 414 CE1 HIS A 24 1.522 23.018 -32.564 1.00 72.24 C ATOM 415 NE2 HIS A 24 1.914 22.778 -31.326 1.00 62.12 N ATOM 0 H HIS A 24 4.059 19.616 -30.879 1.00 33.20 H new ATOM 0 HA HIS A 24 4.674 18.507 -33.330 1.00 5.51 H new ATOM 0 HB2 HIS A 24 2.618 19.615 -34.107 1.00 15.01 H new ATOM 0 HB3 HIS A 24 2.398 18.893 -32.525 1.00 15.01 H new ATOM 0 HD2 HIS A 24 2.904 21.054 -30.400 1.00 23.53 H new ATOM 0 HE1 HIS A 24 1.037 23.919 -32.910 1.00 72.24 H new ATOM 0 HE2 HIS A 24 1.808 23.415 -30.536 1.00 62.12 H new ATOM 423 N THR A 25 5.323 21.731 -33.190 1.00 24.44 N ATOM 424 CA THR A 25 6.005 22.823 -33.873 1.00 22.41 C ATOM 425 C THR A 25 6.705 23.742 -32.878 1.00 63.44 C ATOM 426 O THR A 25 6.124 24.719 -32.407 1.00 64.30 O ATOM 427 CB THR A 25 5.024 23.654 -34.721 1.00 3.44 C ATOM 428 OG1 THR A 25 4.046 24.270 -33.875 1.00 62.10 O ATOM 429 CG2 THR A 25 4.330 22.783 -35.756 1.00 62.42 C ATOM 0 H THR A 25 5.001 21.958 -32.249 1.00 24.44 H new ATOM 0 HA THR A 25 6.748 22.371 -34.530 1.00 22.41 H new ATOM 0 HB THR A 25 5.592 24.425 -35.241 1.00 3.44 H new ATOM 0 HG1 THR A 25 4.497 24.764 -33.159 1.00 62.10 H new ATOM 0 HG21 THR A 25 3.642 23.393 -36.342 1.00 62.42 H new ATOM 0 HG22 THR A 25 5.075 22.339 -36.416 1.00 62.42 H new ATOM 0 HG23 THR A 25 3.774 21.992 -35.252 1.00 62.42 H new ATOM 437 N MET A 26 7.956 23.422 -32.564 1.00 45.22 N ATOM 438 CA MET A 26 8.736 24.222 -31.626 1.00 63.43 C ATOM 439 C MET A 26 10.213 24.223 -32.010 1.00 13.20 C ATOM 440 O MET A 26 10.729 25.214 -32.529 1.00 13.24 O ATOM 441 CB MET A 26 8.568 23.686 -30.203 1.00 73.23 C ATOM 442 CG MET A 26 7.722 24.582 -29.313 1.00 31.41 C ATOM 443 SD MET A 26 8.473 26.198 -29.040 1.00 54.23 S ATOM 444 CE MET A 26 9.609 25.823 -27.708 1.00 45.21 C ATOM 0 H MET A 26 8.451 22.615 -32.945 1.00 45.22 H new ATOM 0 HA MET A 26 8.367 25.247 -31.667 1.00 63.43 H new ATOM 0 HB2 MET A 26 8.112 22.697 -30.247 1.00 73.23 H new ATOM 0 HB3 MET A 26 9.552 23.563 -29.751 1.00 73.23 H new ATOM 0 HG2 MET A 26 6.739 24.714 -29.766 1.00 31.41 H new ATOM 0 HG3 MET A 26 7.567 24.091 -28.352 1.00 31.41 H new ATOM 0 HE1 MET A 26 9.278 26.321 -26.797 1.00 45.21 H new ATOM 0 HE2 MET A 26 9.634 24.746 -27.544 1.00 45.21 H new ATOM 0 HE3 MET A 26 10.607 26.174 -27.971 1.00 45.21 H new ATOM 454 N LEU A 27 10.888 23.109 -31.752 1.00 35.52 N ATOM 455 CA LEU A 27 12.306 22.982 -32.070 1.00 75.50 C ATOM 456 C LEU A 27 12.508 22.143 -33.328 1.00 23.33 C ATOM 457 O LEU A 27 13.568 21.550 -33.525 1.00 24.53 O ATOM 458 CB LEU A 27 13.057 22.351 -30.896 1.00 44.53 C ATOM 459 CG LEU A 27 13.458 23.302 -29.768 1.00 11.33 C ATOM 460 CD1 LEU A 27 14.400 24.378 -30.285 1.00 52.33 C ATOM 461 CD2 LEU A 27 12.224 23.930 -29.136 1.00 30.10 C ATOM 0 H LEU A 27 10.476 22.280 -31.323 1.00 35.52 H new ATOM 0 HA LEU A 27 12.704 23.980 -32.253 1.00 75.50 H new ATOM 0 HB2 LEU A 27 12.435 21.561 -30.475 1.00 44.53 H new ATOM 0 HB3 LEU A 27 13.959 21.875 -31.281 1.00 44.53 H new ATOM 0 HG LEU A 27 13.981 22.727 -29.004 1.00 11.33 H new ATOM 0 HD11 LEU A 27 14.674 25.045 -29.468 1.00 52.33 H new ATOM 0 HD12 LEU A 27 15.298 23.911 -30.689 1.00 52.33 H new ATOM 0 HD13 LEU A 27 13.904 24.950 -31.069 1.00 52.33 H new ATOM 0 HD21 LEU A 27 12.528 24.604 -28.335 1.00 30.10 H new ATOM 0 HD22 LEU A 27 11.673 24.490 -29.892 1.00 30.10 H new ATOM 0 HD23 LEU A 27 11.586 23.146 -28.728 1.00 30.10 H new ATOM 473 N GLN A 28 11.486 22.100 -34.176 1.00 12.42 N ATOM 474 CA GLN A 28 11.553 21.335 -35.415 1.00 43.43 C ATOM 475 C GLN A 28 11.493 22.258 -36.628 1.00 71.13 C ATOM 476 O GLN A 28 11.190 21.822 -37.739 1.00 73.21 O ATOM 477 CB GLN A 28 10.411 20.319 -35.475 1.00 44.31 C ATOM 478 CG GLN A 28 10.839 18.902 -35.129 1.00 41.21 C ATOM 479 CD GLN A 28 11.490 18.188 -36.297 1.00 24.32 C ATOM 480 OE1 GLN A 28 12.664 17.820 -36.238 1.00 60.11 O ATOM 481 NE2 GLN A 28 10.730 17.987 -37.367 1.00 20.23 N ATOM 0 H GLN A 28 10.602 22.586 -34.028 1.00 12.42 H new ATOM 0 HA GLN A 28 12.504 20.803 -35.433 1.00 43.43 H new ATOM 0 HB2 GLN A 28 9.623 20.629 -34.789 1.00 44.31 H new ATOM 0 HB3 GLN A 28 9.982 20.326 -36.477 1.00 44.31 H new ATOM 0 HG2 GLN A 28 11.536 18.931 -34.292 1.00 41.21 H new ATOM 0 HG3 GLN A 28 9.969 18.334 -34.800 1.00 41.21 H new ATOM 0 HE21 GLN A 28 9.762 18.309 -37.373 1.00 20.23 H new ATOM 0 HE22 GLN A 28 11.114 17.511 -38.183 1.00 20.23 H new ATOM 490 N LYS A 29 11.783 23.536 -36.409 1.00 21.34 N ATOM 491 CA LYS A 29 11.763 24.521 -37.483 1.00 40.11 C ATOM 492 C LYS A 29 10.402 24.547 -38.172 1.00 44.21 C ATOM 493 O LYS A 29 10.290 24.944 -39.332 1.00 53.21 O ATOM 494 CB LYS A 29 12.859 24.213 -38.506 1.00 32.10 C ATOM 495 CG LYS A 29 13.872 25.333 -38.668 1.00 24.55 C ATOM 496 CD LYS A 29 15.028 25.184 -37.692 1.00 33.22 C ATOM 497 CE LYS A 29 15.349 26.501 -37.003 1.00 51.52 C ATOM 498 NZ LYS A 29 16.790 26.602 -36.642 1.00 30.54 N ATOM 0 H LYS A 29 12.035 23.914 -35.496 1.00 21.34 H new ATOM 0 HA LYS A 29 11.948 25.502 -37.046 1.00 40.11 H new ATOM 0 HB2 LYS A 29 13.380 23.304 -38.205 1.00 32.10 H new ATOM 0 HB3 LYS A 29 12.396 24.010 -39.472 1.00 32.10 H new ATOM 0 HG2 LYS A 29 14.254 25.335 -39.689 1.00 24.55 H new ATOM 0 HG3 LYS A 29 13.382 26.294 -38.510 1.00 24.55 H new ATOM 0 HD2 LYS A 29 14.779 24.432 -36.943 1.00 33.22 H new ATOM 0 HD3 LYS A 29 15.910 24.826 -38.223 1.00 33.22 H new ATOM 0 HE2 LYS A 29 15.080 27.329 -37.659 1.00 51.52 H new ATOM 0 HE3 LYS A 29 14.742 26.597 -36.103 1.00 51.52 H new ATOM 0 HZ1 LYS A 29 16.968 27.514 -36.175 1.00 30.54 H new ATOM 0 HZ2 LYS A 29 17.041 25.827 -35.996 1.00 30.54 H new ATOM 0 HZ3 LYS A 29 17.369 26.536 -37.503 1.00 30.54 H new ATOM 512 N LYS A 30 9.371 24.123 -37.450 1.00 74.04 N ATOM 513 CA LYS A 30 8.016 24.100 -37.990 1.00 64.04 C ATOM 514 C LYS A 30 7.977 23.371 -39.330 1.00 2.31 C ATOM 515 O LYS A 30 6.930 23.288 -39.972 1.00 33.14 O ATOM 516 CB LYS A 30 7.488 25.526 -38.158 1.00 12.30 C ATOM 517 CG LYS A 30 6.123 25.747 -37.528 1.00 43.25 C ATOM 518 CD LYS A 30 6.203 26.693 -36.342 1.00 21.01 C ATOM 519 CE LYS A 30 6.449 28.126 -36.787 1.00 52.43 C ATOM 520 NZ LYS A 30 6.233 29.097 -35.678 1.00 62.52 N ATOM 0 H LYS A 30 9.447 23.790 -36.489 1.00 74.04 H new ATOM 0 HA LYS A 30 7.380 23.564 -37.286 1.00 64.04 H new ATOM 0 HB2 LYS A 30 8.200 26.223 -37.716 1.00 12.30 H new ATOM 0 HB3 LYS A 30 7.431 25.761 -39.221 1.00 12.30 H new ATOM 0 HG2 LYS A 30 5.439 26.153 -38.273 1.00 43.25 H new ATOM 0 HG3 LYS A 30 5.711 24.791 -37.205 1.00 43.25 H new ATOM 0 HD2 LYS A 30 5.275 26.642 -35.772 1.00 21.01 H new ATOM 0 HD3 LYS A 30 7.005 26.375 -35.675 1.00 21.01 H new ATOM 0 HE2 LYS A 30 7.469 28.221 -37.159 1.00 52.43 H new ATOM 0 HE3 LYS A 30 5.784 28.368 -37.616 1.00 52.43 H new ATOM 0 HZ1 LYS A 30 6.411 30.062 -36.022 1.00 62.52 H new ATOM 0 HZ2 LYS A 30 5.252 29.025 -35.340 1.00 62.52 H new ATOM 0 HZ3 LYS A 30 6.885 28.882 -34.897 1.00 62.52 H new TER 534 LYS A 30