USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=9 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 HE2:sc= 0.142 K(o=-0.074,f=-5!) USER MOD Set 1.2: A 28 GLN : amide:sc= -0.216 K(o=-0.074,f=-4.2!) USER MOD Single : A 1 LYS N :NH3+ -99:sc= -0.0079 (180deg=-0.709) 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= -0.0533 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 115:sc= 1.19 USER MOD Single : A 22 TYR OH : rot -58:sc= 0.96 USER MOD Single : A 25 THR OG1 : rot 61:sc= 1.05 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0406 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.908 -2.250 -2.849 1.00 23.32 N ATOM 2 CA LYS A 1 0.908 -2.409 -4.298 1.00 41.53 C ATOM 3 C LYS A 1 0.556 -1.095 -4.989 1.00 35.00 C ATOM 4 O LYS A 1 -0.613 -0.715 -5.064 1.00 72.22 O ATOM 5 CB LYS A 1 -0.084 -3.497 -4.713 1.00 30.41 C ATOM 6 CG LYS A 1 0.571 -4.835 -5.012 1.00 53.11 C ATOM 7 CD LYS A 1 0.214 -5.877 -3.965 1.00 43.21 C ATOM 8 CE LYS A 1 1.271 -5.955 -2.874 1.00 42.21 C ATOM 9 NZ LYS A 1 2.437 -6.783 -3.289 1.00 41.14 N ATOM 0 H1 LYS A 1 1.884 -2.122 -2.514 1.00 23.32 H new ATOM 0 H2 LYS A 1 0.341 -1.417 -2.591 1.00 23.32 H new ATOM 0 H3 LYS A 1 0.498 -3.097 -2.407 1.00 23.32 H new ATOM 0 HA LYS A 1 1.911 -2.705 -4.606 1.00 41.53 H new ATOM 0 HB2 LYS A 1 -0.818 -3.631 -3.918 1.00 30.41 H new ATOM 0 HB3 LYS A 1 -0.628 -3.163 -5.596 1.00 30.41 H new ATOM 0 HG2 LYS A 1 0.256 -5.184 -5.996 1.00 53.11 H new ATOM 0 HG3 LYS A 1 1.653 -4.711 -5.049 1.00 53.11 H new ATOM 0 HD2 LYS A 1 -0.751 -5.633 -3.521 1.00 43.21 H new ATOM 0 HD3 LYS A 1 0.108 -6.852 -4.441 1.00 43.21 H new ATOM 0 HE2 LYS A 1 1.610 -4.950 -2.624 1.00 42.21 H new ATOM 0 HE3 LYS A 1 0.830 -6.376 -1.971 1.00 42.21 H new ATOM 0 HZ1 LYS A 1 3.135 -6.811 -2.518 1.00 41.14 H new ATOM 0 HZ2 LYS A 1 2.118 -7.749 -3.503 1.00 41.14 H new ATOM 0 HZ3 LYS A 1 2.874 -6.367 -4.136 1.00 41.14 H new ATOM 23 N LYS A 2 1.573 -0.405 -5.494 1.00 21.44 N ATOM 24 CA LYS A 2 1.371 0.864 -6.181 1.00 43.50 C ATOM 25 C LYS A 2 1.451 0.683 -7.693 1.00 43.24 C ATOM 26 O LYS A 2 1.940 -0.336 -8.181 1.00 23.23 O ATOM 27 CB LYS A 2 2.414 1.887 -5.723 1.00 71.04 C ATOM 28 CG LYS A 2 1.816 3.090 -5.015 1.00 32.14 C ATOM 29 CD LYS A 2 2.445 3.301 -3.648 1.00 14.24 C ATOM 30 CE LYS A 2 1.615 2.659 -2.547 1.00 34.41 C ATOM 31 NZ LYS A 2 0.575 3.587 -2.022 1.00 44.20 N ATOM 0 H LYS A 2 2.547 -0.704 -5.440 1.00 21.44 H new ATOM 0 HA LYS A 2 0.376 1.231 -5.929 1.00 43.50 H new ATOM 0 HB2 LYS A 2 3.122 1.397 -5.054 1.00 71.04 H new ATOM 0 HB3 LYS A 2 2.979 2.230 -6.590 1.00 71.04 H new ATOM 0 HG2 LYS A 2 1.961 3.982 -5.625 1.00 32.14 H new ATOM 0 HG3 LYS A 2 0.741 2.951 -4.904 1.00 32.14 H new ATOM 0 HD2 LYS A 2 3.450 2.880 -3.640 1.00 14.24 H new ATOM 0 HD3 LYS A 2 2.546 4.369 -3.454 1.00 14.24 H new ATOM 0 HE2 LYS A 2 1.137 1.758 -2.931 1.00 34.41 H new ATOM 0 HE3 LYS A 2 2.270 2.349 -1.732 1.00 34.41 H new ATOM 0 HZ1 LYS A 2 0.031 3.112 -1.274 1.00 44.20 H new ATOM 0 HZ2 LYS A 2 1.032 4.436 -1.632 1.00 44.20 H new ATOM 0 HZ3 LYS A 2 -0.066 3.863 -2.793 1.00 44.20 H new ATOM 45 N ARG A 3 0.970 1.679 -8.431 1.00 34.45 N ATOM 46 CA ARG A 3 0.987 1.628 -9.887 1.00 43.44 C ATOM 47 C ARG A 3 1.594 2.902 -10.468 1.00 43.20 C ATOM 48 O ARG A 3 2.341 2.856 -11.446 1.00 54.53 O ATOM 49 CB ARG A 3 -0.430 1.433 -10.429 1.00 41.05 C ATOM 50 CG ARG A 3 -1.488 2.210 -9.663 1.00 44.42 C ATOM 51 CD ARG A 3 -2.594 2.701 -10.584 1.00 34.15 C ATOM 52 NE ARG A 3 -3.714 3.270 -9.838 1.00 71.32 N ATOM 53 CZ ARG A 3 -4.670 2.538 -9.276 1.00 40.30 C ATOM 54 NH1 ARG A 3 -4.642 1.216 -9.374 1.00 1.42 N ATOM 55 NH2 ARG A 3 -5.656 3.129 -8.614 1.00 14.32 N ATOM 0 H ARG A 3 0.564 2.531 -8.044 1.00 34.45 H new ATOM 0 HA ARG A 3 1.603 0.781 -10.189 1.00 43.44 H new ATOM 0 HB2 ARG A 3 -0.455 1.737 -11.475 1.00 41.05 H new ATOM 0 HB3 ARG A 3 -0.678 0.372 -10.400 1.00 41.05 H new ATOM 0 HG2 ARG A 3 -1.915 1.576 -8.886 1.00 44.42 H new ATOM 0 HG3 ARG A 3 -1.025 3.061 -9.163 1.00 44.42 H new ATOM 0 HD2 ARG A 3 -2.193 3.452 -11.265 1.00 34.15 H new ATOM 0 HD3 ARG A 3 -2.950 1.873 -11.197 1.00 34.15 H new ATOM 0 HE ARG A 3 -3.765 4.284 -9.743 1.00 71.32 H new ATOM 0 HH11 ARG A 3 -3.885 0.758 -9.882 1.00 1.42 H new ATOM 0 HH12 ARG A 3 -5.377 0.657 -8.941 1.00 1.42 H new ATOM 0 HH21 ARG A 3 -5.681 4.146 -8.536 1.00 14.32 H new ATOM 0 HH22 ARG A 3 -6.390 2.567 -8.183 1.00 14.32 H new ATOM 69 N TYR A 4 1.269 4.037 -9.859 1.00 52.13 N ATOM 70 CA TYR A 4 1.779 5.324 -10.317 1.00 63.23 C ATOM 71 C TYR A 4 3.269 5.458 -10.014 1.00 55.14 C ATOM 72 O TYR A 4 4.104 5.424 -10.918 1.00 74.43 O ATOM 73 CB TYR A 4 1.008 6.467 -9.656 1.00 32.13 C ATOM 74 CG TYR A 4 -0.311 6.776 -10.328 1.00 30.15 C ATOM 75 CD1 TYR A 4 -1.255 5.779 -10.540 1.00 31.21 C ATOM 76 CD2 TYR A 4 -0.613 8.064 -10.751 1.00 3.42 C ATOM 77 CE1 TYR A 4 -2.461 6.056 -11.154 1.00 12.10 C ATOM 78 CE2 TYR A 4 -1.817 8.351 -11.364 1.00 43.13 C ATOM 79 CZ TYR A 4 -2.737 7.344 -11.564 1.00 35.21 C ATOM 80 OH TYR A 4 -3.937 7.625 -12.176 1.00 14.11 O ATOM 0 H TYR A 4 0.655 4.092 -9.047 1.00 52.13 H new ATOM 0 HA TYR A 4 1.639 5.378 -11.397 1.00 63.23 H new ATOM 0 HB2 TYR A 4 0.824 6.214 -8.612 1.00 32.13 H new ATOM 0 HB3 TYR A 4 1.628 7.363 -9.662 1.00 32.13 H new ATOM 0 HD1 TYR A 4 -1.042 4.770 -10.219 1.00 31.21 H new ATOM 0 HD2 TYR A 4 0.106 8.855 -10.598 1.00 3.42 H new ATOM 0 HE1 TYR A 4 -3.183 5.269 -11.312 1.00 12.10 H new ATOM 0 HE2 TYR A 4 -2.036 9.359 -11.685 1.00 43.13 H new ATOM 0 HH TYR A 4 -3.974 8.578 -12.401 1.00 14.11 H new ATOM 90 N VAL A 5 3.594 5.611 -8.735 1.00 20.14 N ATOM 91 CA VAL A 5 4.982 5.749 -8.310 1.00 60.30 C ATOM 92 C VAL A 5 5.741 4.437 -8.479 1.00 0.34 C ATOM 93 O VAL A 5 6.965 4.428 -8.602 1.00 4.52 O ATOM 94 CB VAL A 5 5.077 6.199 -6.840 1.00 62.01 C ATOM 95 CG1 VAL A 5 6.521 6.494 -6.464 1.00 43.14 C ATOM 96 CG2 VAL A 5 4.195 7.415 -6.598 1.00 24.44 C ATOM 0 H VAL A 5 2.915 5.643 -7.974 1.00 20.14 H new ATOM 0 HA VAL A 5 5.433 6.511 -8.945 1.00 60.30 H new ATOM 0 HB VAL A 5 4.720 5.388 -6.206 1.00 62.01 H new ATOM 0 HG11 VAL A 5 6.568 6.810 -5.422 1.00 43.14 H new ATOM 0 HG12 VAL A 5 7.123 5.595 -6.598 1.00 43.14 H new ATOM 0 HG13 VAL A 5 6.908 7.288 -7.102 1.00 43.14 H new ATOM 0 HG21 VAL A 5 4.274 7.720 -5.554 1.00 24.44 H new ATOM 0 HG22 VAL A 5 4.519 8.233 -7.241 1.00 24.44 H new ATOM 0 HG23 VAL A 5 3.159 7.164 -6.825 1.00 24.44 H new ATOM 106 N ALA A 6 5.005 3.331 -8.483 1.00 63.44 N ATOM 107 CA ALA A 6 5.609 2.013 -8.640 1.00 34.15 C ATOM 108 C ALA A 6 6.027 1.769 -10.085 1.00 62.53 C ATOM 109 O ALA A 6 6.658 0.759 -10.396 1.00 70.34 O ATOM 110 CB ALA A 6 4.642 0.932 -8.178 1.00 4.01 C ATOM 0 H ALA A 6 3.990 3.321 -8.379 1.00 63.44 H new ATOM 0 HA ALA A 6 6.504 1.974 -8.020 1.00 34.15 H new ATOM 0 HB1 ALA A 6 5.105 -0.047 -8.301 1.00 4.01 H new ATOM 0 HB2 ALA A 6 4.396 1.088 -7.128 1.00 4.01 H new ATOM 0 HB3 ALA A 6 3.731 0.980 -8.775 1.00 4.01 H new ATOM 116 N MET A 7 5.671 2.699 -10.965 1.00 3.21 N ATOM 117 CA MET A 7 6.011 2.584 -12.378 1.00 62.04 C ATOM 118 C MET A 7 7.073 3.608 -12.767 1.00 61.43 C ATOM 119 O MET A 7 7.744 3.463 -13.789 1.00 64.31 O ATOM 120 CB MET A 7 4.763 2.774 -13.242 1.00 72.41 C ATOM 121 CG MET A 7 3.975 1.492 -13.462 1.00 2.15 C ATOM 122 SD MET A 7 2.494 1.749 -14.457 1.00 14.15 S ATOM 123 CE MET A 7 2.686 0.463 -15.688 1.00 53.03 C ATOM 0 H MET A 7 5.147 3.541 -10.724 1.00 3.21 H new ATOM 0 HA MET A 7 6.414 1.586 -12.549 1.00 62.04 H new ATOM 0 HB2 MET A 7 4.115 3.513 -12.772 1.00 72.41 H new ATOM 0 HB3 MET A 7 5.059 3.179 -14.210 1.00 72.41 H new ATOM 0 HG2 MET A 7 4.614 0.757 -13.952 1.00 2.15 H new ATOM 0 HG3 MET A 7 3.691 1.074 -12.496 1.00 2.15 H new ATOM 0 HE1 MET A 7 1.844 0.493 -16.380 1.00 53.03 H new ATOM 0 HE2 MET A 7 3.614 0.622 -16.238 1.00 53.03 H new ATOM 0 HE3 MET A 7 2.717 -0.509 -15.196 1.00 53.03 H new ATOM 133 N VAL A 8 7.220 4.643 -11.946 1.00 71.33 N ATOM 134 CA VAL A 8 8.201 5.690 -12.204 1.00 51.04 C ATOM 135 C VAL A 8 9.356 5.618 -11.212 1.00 14.24 C ATOM 136 O VAL A 8 10.378 6.283 -11.384 1.00 14.22 O ATOM 137 CB VAL A 8 7.561 7.089 -12.130 1.00 51.12 C ATOM 138 CG1 VAL A 8 8.515 8.142 -12.671 1.00 44.54 C ATOM 139 CG2 VAL A 8 6.243 7.112 -12.889 1.00 15.32 C ATOM 0 H VAL A 8 6.672 4.779 -11.096 1.00 71.33 H new ATOM 0 HA VAL A 8 8.582 5.526 -13.212 1.00 51.04 H new ATOM 0 HB VAL A 8 7.357 7.321 -11.085 1.00 51.12 H new ATOM 0 HG11 VAL A 8 8.045 9.124 -12.611 1.00 44.54 H new ATOM 0 HG12 VAL A 8 9.431 8.141 -12.080 1.00 44.54 H new ATOM 0 HG13 VAL A 8 8.753 7.917 -13.711 1.00 44.54 H new ATOM 0 HG21 VAL A 8 5.804 8.108 -12.826 1.00 15.32 H new ATOM 0 HG22 VAL A 8 6.421 6.859 -13.934 1.00 15.32 H new ATOM 0 HG23 VAL A 8 5.558 6.386 -12.451 1.00 15.32 H new ATOM 149 N ILE A 9 9.186 4.807 -10.173 1.00 61.21 N ATOM 150 CA ILE A 9 10.215 4.647 -9.153 1.00 62.24 C ATOM 151 C ILE A 9 11.567 4.329 -9.782 1.00 65.52 C ATOM 152 O ILE A 9 12.614 4.683 -9.240 1.00 22.32 O ATOM 153 CB ILE A 9 9.850 3.532 -8.156 1.00 25.24 C ATOM 154 CG1 ILE A 9 10.972 3.347 -7.131 1.00 41.04 C ATOM 155 CG2 ILE A 9 9.579 2.229 -8.893 1.00 43.00 C ATOM 156 CD1 ILE A 9 11.269 4.595 -6.329 1.00 65.53 C ATOM 0 H ILE A 9 8.346 4.251 -10.016 1.00 61.21 H new ATOM 0 HA ILE A 9 10.280 5.594 -8.618 1.00 62.24 H new ATOM 0 HB ILE A 9 8.943 3.822 -7.626 1.00 25.24 H new ATOM 0 HG12 ILE A 9 10.700 2.542 -6.448 1.00 41.04 H new ATOM 0 HG13 ILE A 9 11.878 3.033 -7.649 1.00 41.04 H new ATOM 0 HG21 ILE A 9 9.322 1.451 -8.174 1.00 43.00 H new ATOM 0 HG22 ILE A 9 8.750 2.369 -9.587 1.00 43.00 H new ATOM 0 HG23 ILE A 9 10.470 1.932 -9.447 1.00 43.00 H new ATOM 0 HD11 ILE A 9 12.074 4.391 -5.623 1.00 65.53 H new ATOM 0 HD12 ILE A 9 11.572 5.397 -7.002 1.00 65.53 H new ATOM 0 HD13 ILE A 9 10.376 4.898 -5.783 1.00 65.53 H new ATOM 168 N TRP A 10 11.537 3.660 -10.929 1.00 42.13 N ATOM 169 CA TRP A 10 12.761 3.295 -11.634 1.00 3.53 C ATOM 170 C TRP A 10 13.619 4.526 -11.908 1.00 11.05 C ATOM 171 O TRP A 10 14.830 4.514 -11.681 1.00 53.04 O ATOM 172 CB TRP A 10 12.426 2.589 -12.948 1.00 45.14 C ATOM 173 CG TRP A 10 12.460 1.094 -12.845 1.00 4.30 C ATOM 174 CD1 TRP A 10 11.401 0.240 -12.963 1.00 42.32 C ATOM 175 CD2 TRP A 10 13.611 0.278 -12.600 1.00 50.14 C ATOM 176 NE1 TRP A 10 11.824 -1.058 -12.807 1.00 0.33 N ATOM 177 CE2 TRP A 10 13.176 -1.061 -12.584 1.00 34.50 C ATOM 178 CE3 TRP A 10 14.967 0.548 -12.396 1.00 13.12 C ATOM 179 CZ2 TRP A 10 14.048 -2.125 -12.370 1.00 4.12 C ATOM 180 CZ3 TRP A 10 15.832 -0.508 -12.183 1.00 74.50 C ATOM 181 CH2 TRP A 10 15.370 -1.832 -12.172 1.00 43.51 C ATOM 0 H TRP A 10 10.679 3.359 -11.391 1.00 42.13 H new ATOM 0 HA TRP A 10 13.328 2.614 -10.999 1.00 3.53 H new ATOM 0 HB2 TRP A 10 11.435 2.901 -13.277 1.00 45.14 H new ATOM 0 HB3 TRP A 10 13.132 2.909 -13.714 1.00 45.14 H new ATOM 0 HD1 TRP A 10 10.381 0.541 -13.151 1.00 42.32 H new ATOM 0 HE1 TRP A 10 11.228 -1.885 -12.850 1.00 0.33 H new ATOM 0 HE3 TRP A 10 15.332 1.564 -12.405 1.00 13.12 H new ATOM 0 HZ2 TRP A 10 13.694 -3.145 -12.361 1.00 4.12 H new ATOM 0 HZ3 TRP A 10 16.882 -0.311 -12.022 1.00 74.50 H new ATOM 0 HH2 TRP A 10 16.071 -2.636 -12.004 1.00 43.51 H new ATOM 192 N LEU A 11 12.985 5.587 -12.395 1.00 62.20 N ATOM 193 CA LEU A 11 13.691 6.827 -12.699 1.00 60.34 C ATOM 194 C LEU A 11 13.998 7.605 -11.424 1.00 44.54 C ATOM 195 O LEU A 11 15.019 8.287 -11.332 1.00 45.22 O ATOM 196 CB LEU A 11 12.859 7.690 -13.650 1.00 25.20 C ATOM 197 CG LEU A 11 12.379 7.006 -14.931 1.00 2.34 C ATOM 198 CD1 LEU A 11 11.370 7.882 -15.657 1.00 0.11 C ATOM 199 CD2 LEU A 11 13.558 6.683 -15.837 1.00 50.52 C ATOM 0 H LEU A 11 11.984 5.614 -12.588 1.00 62.20 H new ATOM 0 HA LEU A 11 14.634 6.571 -13.182 1.00 60.34 H new ATOM 0 HB2 LEU A 11 11.987 8.055 -13.108 1.00 25.20 H new ATOM 0 HB3 LEU A 11 13.450 8.563 -13.928 1.00 25.20 H new ATOM 0 HG LEU A 11 11.889 6.071 -14.660 1.00 2.34 H new ATOM 0 HD11 LEU A 11 11.039 7.379 -16.566 1.00 0.11 H new ATOM 0 HD12 LEU A 11 10.512 8.062 -15.009 1.00 0.11 H new ATOM 0 HD13 LEU A 11 11.834 8.833 -15.917 1.00 0.11 H new ATOM 0 HD21 LEU A 11 13.198 6.197 -16.744 1.00 50.52 H new ATOM 0 HD22 LEU A 11 14.077 7.604 -16.101 1.00 50.52 H new ATOM 0 HD23 LEU A 11 14.245 6.016 -15.316 1.00 50.52 H new ATOM 211 N TYR A 12 13.110 7.498 -10.443 1.00 73.21 N ATOM 212 CA TYR A 12 13.286 8.192 -9.173 1.00 53.00 C ATOM 213 C TYR A 12 14.340 7.500 -8.315 1.00 63.52 C ATOM 214 O TYR A 12 14.761 8.025 -7.284 1.00 71.44 O ATOM 215 CB TYR A 12 11.959 8.257 -8.415 1.00 54.44 C ATOM 216 CG TYR A 12 10.881 9.026 -9.147 1.00 21.14 C ATOM 217 CD1 TYR A 12 11.198 10.123 -9.938 1.00 70.33 C ATOM 218 CD2 TYR A 12 9.546 8.654 -9.046 1.00 51.24 C ATOM 219 CE1 TYR A 12 10.217 10.828 -10.607 1.00 74.04 C ATOM 220 CE2 TYR A 12 8.558 9.353 -9.713 1.00 60.22 C ATOM 221 CZ TYR A 12 8.898 10.439 -10.492 1.00 3.10 C ATOM 222 OH TYR A 12 7.918 11.138 -11.158 1.00 50.31 O ATOM 0 H TYR A 12 12.260 6.937 -10.503 1.00 73.21 H new ATOM 0 HA TYR A 12 13.625 9.206 -9.387 1.00 53.00 H new ATOM 0 HB2 TYR A 12 11.607 7.243 -8.228 1.00 54.44 H new ATOM 0 HB3 TYR A 12 12.128 8.720 -7.443 1.00 54.44 H new ATOM 0 HD1 TYR A 12 12.229 10.430 -10.031 1.00 70.33 H new ATOM 0 HD2 TYR A 12 9.276 7.805 -8.436 1.00 51.24 H new ATOM 0 HE1 TYR A 12 10.481 11.679 -11.217 1.00 74.04 H new ATOM 0 HE2 TYR A 12 7.525 9.050 -9.625 1.00 60.22 H new ATOM 0 HH TYR A 12 7.045 10.734 -10.972 1.00 50.31 H new ATOM 232 N SER A 13 14.764 6.317 -8.750 1.00 33.24 N ATOM 233 CA SER A 13 15.767 5.549 -8.021 1.00 50.31 C ATOM 234 C SER A 13 17.038 5.392 -8.850 1.00 70.32 C ATOM 235 O SER A 13 18.109 5.108 -8.316 1.00 25.32 O ATOM 236 CB SER A 13 15.214 4.172 -7.648 1.00 3.55 C ATOM 237 OG SER A 13 15.834 3.675 -6.474 1.00 45.15 O ATOM 0 H SER A 13 14.429 5.870 -9.603 1.00 33.24 H new ATOM 0 HA SER A 13 16.013 6.092 -7.109 1.00 50.31 H new ATOM 0 HB2 SER A 13 14.137 4.239 -7.494 1.00 3.55 H new ATOM 0 HB3 SER A 13 15.376 3.476 -8.471 1.00 3.55 H new ATOM 0 HG SER A 13 15.463 2.795 -6.255 1.00 45.15 H new ATOM 243 N ALA A 14 16.910 5.578 -10.160 1.00 14.33 N ATOM 244 CA ALA A 14 18.047 5.459 -11.063 1.00 40.25 C ATOM 245 C ALA A 14 18.816 6.773 -11.155 1.00 15.12 C ATOM 246 O ALA A 14 19.983 6.795 -11.546 1.00 12.32 O ATOM 247 CB ALA A 14 17.581 5.021 -12.444 1.00 13.21 C ATOM 0 H ALA A 14 16.030 5.812 -10.619 1.00 14.33 H new ATOM 0 HA ALA A 14 18.720 4.702 -10.661 1.00 40.25 H new ATOM 0 HB1 ALA A 14 18.441 4.936 -13.108 1.00 13.21 H new ATOM 0 HB2 ALA A 14 17.083 4.054 -12.370 1.00 13.21 H new ATOM 0 HB3 ALA A 14 16.885 5.758 -12.844 1.00 13.21 H new ATOM 253 N PHE A 15 18.153 7.867 -10.792 1.00 65.15 N ATOM 254 CA PHE A 15 18.774 9.186 -10.835 1.00 63.33 C ATOM 255 C PHE A 15 19.528 9.474 -9.540 1.00 51.43 C ATOM 256 O PHE A 15 20.027 10.581 -9.333 1.00 71.34 O ATOM 257 CB PHE A 15 17.715 10.264 -11.073 1.00 60.14 C ATOM 258 CG PHE A 15 17.972 11.097 -12.296 1.00 42.23 C ATOM 259 CD1 PHE A 15 17.849 10.549 -13.563 1.00 33.12 C ATOM 260 CD2 PHE A 15 18.337 12.429 -12.179 1.00 73.25 C ATOM 261 CE1 PHE A 15 18.086 11.313 -14.690 1.00 14.34 C ATOM 262 CE2 PHE A 15 18.574 13.198 -13.303 1.00 4.32 C ATOM 263 CZ PHE A 15 18.448 12.640 -14.560 1.00 34.15 C ATOM 0 H PHE A 15 17.187 7.866 -10.465 1.00 65.15 H new ATOM 0 HA PHE A 15 19.486 9.198 -11.660 1.00 63.33 H new ATOM 0 HB2 PHE A 15 16.739 9.789 -11.166 1.00 60.14 H new ATOM 0 HB3 PHE A 15 17.670 10.917 -10.201 1.00 60.14 H new ATOM 0 HD1 PHE A 15 17.565 9.513 -13.671 1.00 33.12 H new ATOM 0 HD2 PHE A 15 18.437 12.871 -11.199 1.00 73.25 H new ATOM 0 HE1 PHE A 15 17.988 10.873 -15.672 1.00 14.34 H new ATOM 0 HE2 PHE A 15 18.858 14.235 -13.198 1.00 4.32 H new ATOM 0 HZ PHE A 15 18.632 13.240 -15.439 1.00 34.15 H new ATOM 273 N ARG A 16 19.605 8.472 -8.672 1.00 24.43 N ATOM 274 CA ARG A 16 20.296 8.617 -7.396 1.00 10.30 C ATOM 275 C ARG A 16 21.571 7.780 -7.370 1.00 5.35 C ATOM 276 O ARG A 16 22.609 8.227 -6.882 1.00 62.23 O ATOM 277 CB ARG A 16 19.378 8.204 -6.245 1.00 33.45 C ATOM 278 CG ARG A 16 19.233 9.268 -5.169 1.00 33.53 C ATOM 279 CD ARG A 16 18.537 10.509 -5.704 1.00 2.53 C ATOM 280 NE ARG A 16 17.108 10.290 -5.910 1.00 41.53 N ATOM 281 CZ ARG A 16 16.237 11.271 -6.121 1.00 43.13 C ATOM 282 NH1 ARG A 16 16.648 12.531 -6.154 1.00 0.31 N ATOM 283 NH2 ARG A 16 14.953 10.992 -6.301 1.00 35.13 N ATOM 0 H ARG A 16 19.197 7.550 -8.828 1.00 24.43 H new ATOM 0 HA ARG A 16 20.568 9.666 -7.276 1.00 10.30 H new ATOM 0 HB2 ARG A 16 18.392 7.967 -6.645 1.00 33.45 H new ATOM 0 HB3 ARG A 16 19.766 7.292 -5.792 1.00 33.45 H new ATOM 0 HG2 ARG A 16 18.666 8.864 -4.330 1.00 33.53 H new ATOM 0 HG3 ARG A 16 20.218 9.538 -4.787 1.00 33.53 H new ATOM 0 HD2 ARG A 16 18.680 11.334 -5.006 1.00 2.53 H new ATOM 0 HD3 ARG A 16 18.998 10.805 -6.646 1.00 2.53 H new ATOM 0 HE ARG A 16 16.759 9.332 -5.891 1.00 41.53 H new ATOM 0 HH11 ARG A 16 17.635 12.749 -6.017 1.00 0.31 H new ATOM 0 HH12 ARG A 16 15.977 13.282 -6.316 1.00 0.31 H new ATOM 0 HH21 ARG A 16 14.633 10.024 -6.278 1.00 35.13 H new ATOM 0 HH22 ARG A 16 14.285 11.746 -6.463 1.00 35.13 H new ATOM 297 N GLY A 17 21.486 6.563 -7.897 1.00 35.30 N ATOM 298 CA GLY A 17 22.639 5.682 -7.923 1.00 50.51 C ATOM 299 C GLY A 17 23.333 5.677 -9.270 1.00 64.55 C ATOM 300 O GLY A 17 24.155 4.804 -9.550 1.00 24.33 O ATOM 0 H GLY A 17 20.638 6.171 -8.307 1.00 35.30 H new ATOM 0 HA2 GLY A 17 23.347 5.992 -7.154 1.00 50.51 H new ATOM 0 HA3 GLY A 17 22.324 4.668 -7.676 1.00 50.51 H new ATOM 304 N VAL A 18 23.002 6.652 -10.110 1.00 15.41 N ATOM 305 CA VAL A 18 23.599 6.756 -11.436 1.00 14.20 C ATOM 306 C VAL A 18 23.702 8.211 -11.880 1.00 74.00 C ATOM 307 O VAL A 18 23.657 8.510 -13.073 1.00 3.11 O ATOM 308 CB VAL A 18 22.786 5.968 -12.481 1.00 11.44 C ATOM 309 CG1 VAL A 18 23.612 5.738 -13.737 1.00 31.32 C ATOM 310 CG2 VAL A 18 22.307 4.647 -11.897 1.00 45.51 C ATOM 0 H VAL A 18 22.323 7.382 -9.895 1.00 15.41 H new ATOM 0 HA VAL A 18 24.599 6.329 -11.367 1.00 14.20 H new ATOM 0 HB VAL A 18 21.910 6.556 -12.755 1.00 11.44 H new ATOM 0 HG11 VAL A 18 23.022 5.180 -14.464 1.00 31.32 H new ATOM 0 HG12 VAL A 18 23.900 6.699 -14.164 1.00 31.32 H new ATOM 0 HG13 VAL A 18 24.508 5.170 -13.485 1.00 31.32 H new ATOM 0 HG21 VAL A 18 21.734 4.103 -12.648 1.00 45.51 H new ATOM 0 HG22 VAL A 18 23.167 4.050 -11.594 1.00 45.51 H new ATOM 0 HG23 VAL A 18 21.676 4.840 -11.030 1.00 45.51 H new ATOM 320 N GLN A 19 23.840 9.111 -10.912 1.00 14.11 N ATOM 321 CA GLN A 19 23.949 10.535 -11.204 1.00 13.53 C ATOM 322 C GLN A 19 24.808 11.241 -10.159 1.00 74.13 C ATOM 323 O GLN A 19 25.967 11.570 -10.413 1.00 63.40 O ATOM 324 CB GLN A 19 22.560 11.175 -11.256 1.00 21.15 C ATOM 325 CG GLN A 19 21.690 10.649 -12.386 1.00 42.40 C ATOM 326 CD GLN A 19 22.218 11.032 -13.755 1.00 14.43 C ATOM 327 OE1 GLN A 19 22.933 12.024 -13.902 1.00 72.20 O ATOM 328 NE2 GLN A 19 21.867 10.246 -14.766 1.00 11.32 N ATOM 0 H GLN A 19 23.879 8.879 -9.919 1.00 14.11 H new ATOM 0 HA GLN A 19 24.428 10.645 -12.177 1.00 13.53 H new ATOM 0 HB2 GLN A 19 22.053 11.001 -10.307 1.00 21.15 H new ATOM 0 HB3 GLN A 19 22.670 12.254 -11.365 1.00 21.15 H new ATOM 0 HG2 GLN A 19 21.627 9.563 -12.316 1.00 42.40 H new ATOM 0 HG3 GLN A 19 20.677 11.035 -12.270 1.00 42.40 H new ATOM 0 HE21 GLN A 19 21.273 9.434 -14.598 1.00 11.32 H new ATOM 0 HE22 GLN A 19 22.192 10.454 -15.710 1.00 11.32 H new ATOM 337 N LEU A 20 24.232 11.471 -8.985 1.00 13.14 N ATOM 338 CA LEU A 20 24.944 12.138 -7.901 1.00 5.33 C ATOM 339 C LEU A 20 25.777 11.141 -7.101 1.00 75.11 C ATOM 340 O LEU A 20 26.596 11.527 -6.266 1.00 75.41 O ATOM 341 CB LEU A 20 23.956 12.852 -6.977 1.00 32.53 C ATOM 342 CG LEU A 20 22.938 11.959 -6.265 1.00 62.04 C ATOM 343 CD1 LEU A 20 23.114 12.045 -4.757 1.00 44.53 C ATOM 344 CD2 LEU A 20 21.521 12.346 -6.662 1.00 33.53 C ATOM 0 H LEU A 20 23.273 11.205 -8.759 1.00 13.14 H new ATOM 0 HA LEU A 20 25.616 12.874 -8.341 1.00 5.33 H new ATOM 0 HB2 LEU A 20 24.523 13.396 -6.222 1.00 32.53 H new ATOM 0 HB3 LEU A 20 23.412 13.593 -7.563 1.00 32.53 H new ATOM 0 HG LEU A 20 23.111 10.927 -6.571 1.00 62.04 H new ATOM 0 HD11 LEU A 20 22.381 11.403 -4.268 1.00 44.53 H new ATOM 0 HD12 LEU A 20 24.119 11.718 -4.489 1.00 44.53 H new ATOM 0 HD13 LEU A 20 22.968 13.075 -4.432 1.00 44.53 H new ATOM 0 HD21 LEU A 20 20.810 11.701 -6.146 1.00 33.53 H new ATOM 0 HD22 LEU A 20 21.336 13.384 -6.385 1.00 33.53 H new ATOM 0 HD23 LEU A 20 21.401 12.231 -7.739 1.00 33.53 H new ATOM 356 N THR A 21 25.563 9.855 -7.363 1.00 50.13 N ATOM 357 CA THR A 21 26.293 8.802 -6.669 1.00 44.05 C ATOM 358 C THR A 21 27.230 8.064 -7.620 1.00 13.52 C ATOM 359 O THR A 21 28.260 7.533 -7.204 1.00 14.01 O ATOM 360 CB THR A 21 25.334 7.786 -6.021 1.00 51.22 C ATOM 361 OG1 THR A 21 24.479 8.450 -5.083 1.00 72.55 O ATOM 362 CG2 THR A 21 26.109 6.683 -5.316 1.00 40.33 C ATOM 0 H THR A 21 24.890 9.518 -8.051 1.00 50.13 H new ATOM 0 HA THR A 21 26.879 9.286 -5.888 1.00 44.05 H new ATOM 0 HB THR A 21 24.730 7.336 -6.809 1.00 51.22 H new ATOM 0 HG1 THR A 21 23.550 8.396 -5.392 1.00 72.55 H new ATOM 0 HG21 THR A 21 25.410 5.978 -4.866 1.00 40.33 H new ATOM 0 HG22 THR A 21 26.737 6.161 -6.038 1.00 40.33 H new ATOM 0 HG23 THR A 21 26.736 7.119 -4.538 1.00 40.33 H new ATOM 370 N TYR A 22 26.866 8.036 -8.897 1.00 44.21 N ATOM 371 CA TYR A 22 27.674 7.362 -9.907 1.00 31.24 C ATOM 372 C TYR A 22 29.098 7.909 -9.920 1.00 52.43 C ATOM 373 O TYR A 22 30.066 7.150 -9.927 1.00 71.12 O ATOM 374 CB TYR A 22 27.040 7.524 -11.289 1.00 52.31 C ATOM 375 CG TYR A 22 27.193 6.307 -12.172 1.00 72.34 C ATOM 376 CD1 TYR A 22 26.813 5.047 -11.724 1.00 40.35 C ATOM 377 CD2 TYR A 22 27.718 6.415 -13.454 1.00 50.10 C ATOM 378 CE1 TYR A 22 26.952 3.932 -12.528 1.00 35.25 C ATOM 379 CE2 TYR A 22 27.859 5.305 -14.265 1.00 13.45 C ATOM 380 CZ TYR A 22 27.474 4.066 -13.797 1.00 4.02 C ATOM 381 OH TYR A 22 27.614 2.958 -14.601 1.00 24.14 O ATOM 0 H TYR A 22 26.017 8.472 -9.258 1.00 44.21 H new ATOM 0 HA TYR A 22 27.714 6.302 -9.656 1.00 31.24 H new ATOM 0 HB2 TYR A 22 25.979 7.744 -11.169 1.00 52.31 H new ATOM 0 HB3 TYR A 22 27.490 8.383 -11.787 1.00 52.31 H new ATOM 0 HD1 TYR A 22 26.402 4.938 -10.731 1.00 40.35 H new ATOM 0 HD2 TYR A 22 28.021 7.384 -13.823 1.00 50.10 H new ATOM 0 HE1 TYR A 22 26.653 2.960 -12.164 1.00 35.25 H new ATOM 0 HE2 TYR A 22 28.268 5.407 -15.259 1.00 13.45 H new ATOM 0 HH TYR A 22 28.189 2.301 -14.156 1.00 24.14 H new ATOM 391 N GLU A 23 29.216 9.234 -9.924 1.00 33.44 N ATOM 392 CA GLU A 23 30.521 9.884 -9.937 1.00 31.45 C ATOM 393 C GLU A 23 31.415 9.332 -8.830 1.00 34.44 C ATOM 394 O GLU A 23 30.953 8.609 -7.946 1.00 31.30 O ATOM 395 CB GLU A 23 30.363 11.397 -9.773 1.00 24.21 C ATOM 396 CG GLU A 23 30.775 12.188 -11.003 1.00 4.11 C ATOM 397 CD GLU A 23 30.833 13.681 -10.744 1.00 3.03 C ATOM 398 OE1 GLU A 23 30.515 14.100 -9.611 1.00 65.12 O ATOM 399 OE2 GLU A 23 31.197 14.430 -11.674 1.00 41.43 O ATOM 0 H GLU A 23 28.424 9.877 -9.918 1.00 33.44 H new ATOM 0 HA GLU A 23 30.992 9.677 -10.898 1.00 31.45 H new ATOM 0 HB2 GLU A 23 29.323 11.622 -9.538 1.00 24.21 H new ATOM 0 HB3 GLU A 23 30.960 11.726 -8.923 1.00 24.21 H new ATOM 0 HG2 GLU A 23 31.752 11.844 -11.341 1.00 4.11 H new ATOM 0 HG3 GLU A 23 30.070 11.990 -11.811 1.00 4.11 H new ATOM 406 N HIS A 24 32.697 9.677 -8.885 1.00 0.10 N ATOM 407 CA HIS A 24 33.657 9.217 -7.888 1.00 34.34 C ATOM 408 C HIS A 24 33.794 7.698 -7.926 1.00 71.44 C ATOM 409 O HIS A 24 34.135 7.068 -6.924 1.00 42.14 O ATOM 410 CB HIS A 24 33.227 9.666 -6.491 1.00 4.14 C ATOM 411 CG HIS A 24 34.318 9.569 -5.469 1.00 2.42 C ATOM 412 ND1 HIS A 24 35.654 9.488 -5.800 1.00 3.43 N ATOM 413 CD2 HIS A 24 34.265 9.543 -4.117 1.00 33.24 C ATOM 414 CE1 HIS A 24 36.375 9.414 -4.695 1.00 44.43 C ATOM 415 NE2 HIS A 24 35.556 9.446 -3.660 1.00 21.12 N ATOM 0 H HIS A 24 33.096 10.274 -9.610 1.00 0.10 H new ATOM 0 HA HIS A 24 34.626 9.658 -8.122 1.00 34.34 H new ATOM 0 HB2 HIS A 24 32.878 10.697 -6.541 1.00 4.14 H new ATOM 0 HB3 HIS A 24 32.382 9.059 -6.167 1.00 4.14 H new ATOM 0 HD1 HIS A 24 36.027 9.486 -6.749 1.00 3.43 H new ATOM 0 HD2 HIS A 24 33.373 9.590 -3.510 1.00 33.24 H new ATOM 0 HE1 HIS A 24 37.451 9.340 -4.647 1.00 44.43 H new ATOM 423 N THR A 25 33.525 7.113 -9.090 1.00 10.30 N ATOM 424 CA THR A 25 33.616 5.669 -9.259 1.00 25.30 C ATOM 425 C THR A 25 33.478 5.277 -10.726 1.00 25.24 C ATOM 426 O THR A 25 34.457 4.904 -11.373 1.00 14.23 O ATOM 427 CB THR A 25 32.536 4.938 -8.440 1.00 73.32 C ATOM 428 OG1 THR A 25 31.525 5.864 -8.026 1.00 20.30 O ATOM 429 CG2 THR A 25 33.145 4.264 -7.220 1.00 14.34 C ATOM 0 H THR A 25 33.242 7.619 -9.930 1.00 10.30 H new ATOM 0 HA THR A 25 34.600 5.370 -8.897 1.00 25.30 H new ATOM 0 HB THR A 25 32.089 4.171 -9.072 1.00 73.32 H new ATOM 0 HG1 THR A 25 31.099 6.258 -8.816 1.00 20.30 H new ATOM 0 HG21 THR A 25 32.363 3.754 -6.657 1.00 14.34 H new ATOM 0 HG22 THR A 25 33.893 3.539 -7.540 1.00 14.34 H new ATOM 0 HG23 THR A 25 33.616 5.015 -6.587 1.00 14.34 H new ATOM 437 N MET A 26 32.258 5.364 -11.244 1.00 40.34 N ATOM 438 CA MET A 26 31.993 5.020 -12.637 1.00 4.24 C ATOM 439 C MET A 26 31.807 6.277 -13.481 1.00 63.32 C ATOM 440 O MET A 26 30.844 6.389 -14.241 1.00 2.41 O ATOM 441 CB MET A 26 30.750 4.135 -12.738 1.00 30.31 C ATOM 442 CG MET A 26 31.017 2.673 -12.416 1.00 51.24 C ATOM 443 SD MET A 26 29.512 1.681 -12.394 1.00 34.14 S ATOM 444 CE MET A 26 29.680 0.846 -10.818 1.00 64.10 C ATOM 0 H MET A 26 31.437 5.669 -10.721 1.00 40.34 H new ATOM 0 HA MET A 26 32.853 4.471 -13.020 1.00 4.24 H new ATOM 0 HB2 MET A 26 29.987 4.515 -12.058 1.00 30.31 H new ATOM 0 HB3 MET A 26 30.343 4.208 -13.747 1.00 30.31 H new ATOM 0 HG2 MET A 26 31.707 2.263 -13.153 1.00 51.24 H new ATOM 0 HG3 MET A 26 31.508 2.603 -11.446 1.00 51.24 H new ATOM 0 HE1 MET A 26 28.822 0.193 -10.659 1.00 64.10 H new ATOM 0 HE2 MET A 26 30.594 0.252 -10.817 1.00 64.10 H new ATOM 0 HE3 MET A 26 29.727 1.585 -10.018 1.00 64.10 H new ATOM 454 N LEU A 27 32.733 7.219 -13.344 1.00 5.03 N ATOM 455 CA LEU A 27 32.671 8.468 -14.094 1.00 42.34 C ATOM 456 C LEU A 27 33.878 9.349 -13.787 1.00 11.13 C ATOM 457 O LEU A 27 34.386 10.049 -14.662 1.00 61.13 O ATOM 458 CB LEU A 27 31.380 9.220 -13.766 1.00 30.21 C ATOM 459 CG LEU A 27 30.682 9.902 -14.943 1.00 44.12 C ATOM 460 CD1 LEU A 27 29.313 10.417 -14.527 1.00 22.31 C ATOM 461 CD2 LEU A 27 31.539 11.037 -15.485 1.00 53.23 C ATOM 0 H LEU A 27 33.536 7.142 -12.720 1.00 5.03 H new ATOM 0 HA LEU A 27 32.683 8.225 -15.157 1.00 42.34 H new ATOM 0 HB2 LEU A 27 30.680 8.519 -13.312 1.00 30.21 H new ATOM 0 HB3 LEU A 27 31.605 9.977 -13.015 1.00 30.21 H new ATOM 0 HG LEU A 27 30.544 9.166 -15.735 1.00 44.12 H new ATOM 0 HD11 LEU A 27 28.832 10.899 -15.378 1.00 22.31 H new ATOM 0 HD12 LEU A 27 28.699 9.583 -14.187 1.00 22.31 H new ATOM 0 HD13 LEU A 27 29.426 11.138 -13.718 1.00 22.31 H new ATOM 0 HD21 LEU A 27 31.027 11.511 -16.322 1.00 53.23 H new ATOM 0 HD22 LEU A 27 31.708 11.773 -14.699 1.00 53.23 H new ATOM 0 HD23 LEU A 27 32.497 10.641 -15.823 1.00 53.23 H new ATOM 473 N GLN A 28 34.332 9.307 -12.538 1.00 52.13 N ATOM 474 CA GLN A 28 35.480 10.101 -12.116 1.00 61.43 C ATOM 475 C GLN A 28 36.758 9.608 -12.787 1.00 2.01 C ATOM 476 O GLN A 28 37.445 10.367 -13.471 1.00 25.30 O ATOM 477 CB GLN A 28 35.634 10.045 -10.595 1.00 70.04 C ATOM 478 CG GLN A 28 35.541 11.406 -9.924 1.00 70.24 C ATOM 479 CD GLN A 28 36.387 11.497 -8.670 1.00 4.00 C ATOM 480 OE1 GLN A 28 36.914 10.494 -8.188 1.00 63.34 O ATOM 481 NE2 GLN A 28 36.523 12.704 -8.133 1.00 53.02 N ATOM 0 H GLN A 28 33.923 8.732 -11.802 1.00 52.13 H new ATOM 0 HA GLN A 28 35.307 11.134 -12.419 1.00 61.43 H new ATOM 0 HB2 GLN A 28 34.863 9.393 -10.184 1.00 70.04 H new ATOM 0 HB3 GLN A 28 36.596 9.594 -10.352 1.00 70.04 H new ATOM 0 HG2 GLN A 28 35.857 12.176 -10.628 1.00 70.24 H new ATOM 0 HG3 GLN A 28 34.501 11.612 -9.672 1.00 70.24 H new ATOM 0 HE21 GLN A 28 36.069 13.509 -8.565 1.00 53.02 H new ATOM 0 HE22 GLN A 28 37.082 12.826 -7.288 1.00 53.02 H new ATOM 490 N LYS A 29 37.072 8.333 -12.586 1.00 70.43 N ATOM 491 CA LYS A 29 38.267 7.737 -13.172 1.00 21.13 C ATOM 492 C LYS A 29 38.078 7.495 -14.666 1.00 23.21 C ATOM 493 O LYS A 29 38.960 7.797 -15.471 1.00 15.23 O ATOM 494 CB LYS A 29 38.602 6.419 -12.469 1.00 52.21 C ATOM 495 CG LYS A 29 39.269 6.603 -11.117 1.00 43.22 C ATOM 496 CD LYS A 29 39.959 5.329 -10.658 1.00 12.52 C ATOM 497 CE LYS A 29 39.364 4.812 -9.357 1.00 21.00 C ATOM 498 NZ LYS A 29 38.248 3.856 -9.599 1.00 24.21 N ATOM 0 H LYS A 29 36.515 7.692 -12.021 1.00 70.43 H new ATOM 0 HA LYS A 29 39.094 8.434 -13.037 1.00 21.13 H new ATOM 0 HB2 LYS A 29 37.685 5.844 -12.337 1.00 52.21 H new ATOM 0 HB3 LYS A 29 39.258 5.831 -13.111 1.00 52.21 H new ATOM 0 HG2 LYS A 29 39.998 7.411 -11.177 1.00 43.22 H new ATOM 0 HG3 LYS A 29 38.523 6.900 -10.380 1.00 43.22 H new ATOM 0 HD2 LYS A 29 39.867 4.565 -11.430 1.00 12.52 H new ATOM 0 HD3 LYS A 29 41.024 5.519 -10.523 1.00 12.52 H new ATOM 0 HE2 LYS A 29 40.142 4.322 -8.772 1.00 21.00 H new ATOM 0 HE3 LYS A 29 39.001 5.652 -8.765 1.00 21.00 H new ATOM 0 HZ1 LYS A 29 37.869 3.527 -8.688 1.00 24.21 H new ATOM 0 HZ2 LYS A 29 37.494 4.331 -10.136 1.00 24.21 H new ATOM 0 HZ3 LYS A 29 38.600 3.042 -10.142 1.00 24.21 H new ATOM 512 N LYS A 30 36.923 6.949 -15.031 1.00 22.12 N ATOM 513 CA LYS A 30 36.617 6.669 -16.428 1.00 74.54 C ATOM 514 C LYS A 30 37.585 5.639 -17.002 1.00 30.01 C ATOM 515 O LYS A 30 38.089 4.777 -16.281 1.00 54.21 O ATOM 516 CB LYS A 30 36.677 7.956 -17.253 1.00 52.14 C ATOM 517 CG LYS A 30 35.700 7.980 -18.416 1.00 62.44 C ATOM 518 CD LYS A 30 34.596 9.000 -18.197 1.00 43.41 C ATOM 519 CE LYS A 30 35.094 10.418 -18.431 1.00 50.54 C ATOM 520 NZ LYS A 30 35.412 10.665 -19.865 1.00 73.02 N ATOM 0 H LYS A 30 36.183 6.692 -14.378 1.00 22.12 H new ATOM 0 HA LYS A 30 35.608 6.260 -16.477 1.00 74.54 H new ATOM 0 HB2 LYS A 30 36.473 8.805 -16.601 1.00 52.14 H new ATOM 0 HB3 LYS A 30 37.689 8.084 -17.637 1.00 52.14 H new ATOM 0 HG2 LYS A 30 36.235 8.214 -19.337 1.00 62.44 H new ATOM 0 HG3 LYS A 30 35.262 6.990 -18.544 1.00 62.44 H new ATOM 0 HD2 LYS A 30 33.765 8.789 -18.870 1.00 43.41 H new ATOM 0 HD3 LYS A 30 34.213 8.911 -17.180 1.00 43.41 H new ATOM 0 HE2 LYS A 30 34.337 11.128 -18.100 1.00 50.54 H new ATOM 0 HE3 LYS A 30 35.983 10.595 -17.826 1.00 50.54 H new ATOM 0 HZ1 LYS A 30 35.467 11.689 -20.037 1.00 73.02 H new ATOM 0 HZ2 LYS A 30 36.325 10.225 -20.099 1.00 73.02 H new ATOM 0 HZ3 LYS A 30 34.666 10.253 -20.462 1.00 73.02 H new TER 534 LYS A 30