USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HD1:sc= -3.16! C(o=-2.9!,f=-3.9!) USER MOD Set 1.2: A 25 THR OG1 : rot 58:sc= 0.308 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 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 101:sc= 0.488 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= -0.268 X(o=-0.27,f=-0.016) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.535 2.779 -0.690 1.00 23.13 N ATOM 2 CA LYS A 1 0.467 3.768 -0.621 1.00 15.31 C ATOM 3 C LYS A 1 0.110 4.282 -2.012 1.00 43.13 C ATOM 4 O LYS A 1 0.554 5.355 -2.422 1.00 21.02 O ATOM 5 CB LYS A 1 0.883 4.937 0.275 1.00 54.31 C ATOM 6 CG LYS A 1 -0.284 5.789 0.744 1.00 40.52 C ATOM 7 CD LYS A 1 -0.121 6.208 2.195 1.00 3.23 C ATOM 8 CE LYS A 1 -1.315 7.015 2.680 1.00 34.04 C ATOM 9 NZ LYS A 1 -1.161 7.434 4.101 1.00 54.50 N ATOM 0 H1 LYS A 1 1.760 2.444 0.268 1.00 23.13 H new ATOM 0 H2 LYS A 1 1.227 1.976 -1.274 1.00 23.13 H new ATOM 0 H3 LYS A 1 2.381 3.211 -1.114 1.00 23.13 H new ATOM 0 HA LYS A 1 -0.413 3.286 -0.194 1.00 15.31 H new ATOM 0 HB2 LYS A 1 1.410 4.547 1.146 1.00 54.31 H new ATOM 0 HB3 LYS A 1 1.587 5.567 -0.268 1.00 54.31 H new ATOM 0 HG2 LYS A 1 -0.364 6.676 0.115 1.00 40.52 H new ATOM 0 HG3 LYS A 1 -1.213 5.231 0.628 1.00 40.52 H new ATOM 0 HD2 LYS A 1 -0.001 5.322 2.819 1.00 3.23 H new ATOM 0 HD3 LYS A 1 0.788 6.800 2.304 1.00 3.23 H new ATOM 0 HE2 LYS A 1 -1.436 7.898 2.052 1.00 34.04 H new ATOM 0 HE3 LYS A 1 -2.223 6.421 2.573 1.00 34.04 H new ATOM 0 HZ1 LYS A 1 -1.995 7.982 4.394 1.00 54.50 H new ATOM 0 HZ2 LYS A 1 -1.071 6.591 4.704 1.00 54.50 H new ATOM 0 HZ3 LYS A 1 -0.309 8.022 4.199 1.00 54.50 H new ATOM 23 N LYS A 2 -0.695 3.510 -2.735 1.00 4.32 N ATOM 24 CA LYS A 2 -1.113 3.888 -4.079 1.00 74.14 C ATOM 25 C LYS A 2 0.095 4.147 -4.973 1.00 62.01 C ATOM 26 O LYS A 2 0.296 5.262 -5.454 1.00 14.40 O ATOM 27 CB LYS A 2 -2.000 5.134 -4.029 1.00 0.35 C ATOM 28 CG LYS A 2 -3.371 4.881 -3.427 1.00 14.02 C ATOM 29 CD LYS A 2 -4.370 4.436 -4.482 1.00 41.33 C ATOM 30 CE LYS A 2 -5.657 3.927 -3.852 1.00 70.52 C ATOM 31 NZ LYS A 2 -6.739 3.758 -4.861 1.00 34.40 N ATOM 0 H LYS A 2 -1.071 2.618 -2.412 1.00 4.32 H new ATOM 0 HA LYS A 2 -1.683 3.060 -4.500 1.00 74.14 H new ATOM 0 HB2 LYS A 2 -1.495 5.906 -3.449 1.00 0.35 H new ATOM 0 HB3 LYS A 2 -2.122 5.523 -5.040 1.00 0.35 H new ATOM 0 HG2 LYS A 2 -3.294 4.118 -2.653 1.00 14.02 H new ATOM 0 HG3 LYS A 2 -3.731 5.790 -2.944 1.00 14.02 H new ATOM 0 HD2 LYS A 2 -4.594 5.270 -5.147 1.00 41.33 H new ATOM 0 HD3 LYS A 2 -3.928 3.650 -5.095 1.00 41.33 H new ATOM 0 HE2 LYS A 2 -5.468 2.973 -3.359 1.00 70.52 H new ATOM 0 HE3 LYS A 2 -5.985 4.625 -3.081 1.00 70.52 H new ATOM 0 HZ1 LYS A 2 -7.600 3.410 -4.392 1.00 34.40 H new ATOM 0 HZ2 LYS A 2 -6.938 4.673 -5.314 1.00 34.40 H new ATOM 0 HZ3 LYS A 2 -6.437 3.073 -5.583 1.00 34.40 H new ATOM 45 N ARG A 3 0.897 3.110 -5.192 1.00 74.33 N ATOM 46 CA ARG A 3 2.085 3.226 -6.029 1.00 21.33 C ATOM 47 C ARG A 3 1.742 2.990 -7.497 1.00 11.13 C ATOM 48 O ARG A 3 2.382 3.544 -8.391 1.00 15.40 O ATOM 49 CB ARG A 3 3.152 2.227 -5.577 1.00 3.23 C ATOM 50 CG ARG A 3 4.566 2.785 -5.620 1.00 74.12 C ATOM 51 CD ARG A 3 5.518 1.955 -4.774 1.00 64.45 C ATOM 52 NE ARG A 3 6.710 1.560 -5.520 1.00 44.35 N ATOM 53 CZ ARG A 3 7.684 0.815 -5.010 1.00 31.25 C ATOM 54 NH1 ARG A 3 7.607 0.385 -3.758 1.00 33.23 N ATOM 55 NH2 ARG A 3 8.737 0.498 -5.751 1.00 63.45 N ATOM 0 H ARG A 3 0.746 2.180 -4.801 1.00 74.33 H new ATOM 0 HA ARG A 3 2.475 4.238 -5.923 1.00 21.33 H new ATOM 0 HB2 ARG A 3 2.928 1.905 -4.560 1.00 3.23 H new ATOM 0 HB3 ARG A 3 3.100 1.342 -6.211 1.00 3.23 H new ATOM 0 HG2 ARG A 3 4.919 2.807 -6.651 1.00 74.12 H new ATOM 0 HG3 ARG A 3 4.563 3.815 -5.262 1.00 74.12 H new ATOM 0 HD2 ARG A 3 5.814 2.527 -3.894 1.00 64.45 H new ATOM 0 HD3 ARG A 3 5.002 1.064 -4.416 1.00 64.45 H new ATOM 0 HE ARG A 3 6.799 1.874 -6.486 1.00 44.35 H new ATOM 0 HH11 ARG A 3 6.799 0.626 -3.185 1.00 33.23 H new ATOM 0 HH12 ARG A 3 8.356 -0.187 -3.368 1.00 33.23 H new ATOM 0 HH21 ARG A 3 8.800 0.826 -6.715 1.00 63.45 H new ATOM 0 HH22 ARG A 3 9.484 -0.074 -5.357 1.00 63.45 H new ATOM 69 N TYR A 4 0.730 2.164 -7.737 1.00 15.51 N ATOM 70 CA TYR A 4 0.303 1.853 -9.096 1.00 42.00 C ATOM 71 C TYR A 4 -0.914 2.685 -9.489 1.00 64.15 C ATOM 72 O TYR A 4 -1.731 2.263 -10.308 1.00 21.23 O ATOM 73 CB TYR A 4 -0.021 0.364 -9.223 1.00 21.54 C ATOM 74 CG TYR A 4 -1.018 -0.128 -8.198 1.00 23.53 C ATOM 75 CD1 TYR A 4 -2.385 -0.032 -8.428 1.00 23.25 C ATOM 76 CD2 TYR A 4 -0.593 -0.689 -6.999 1.00 41.53 C ATOM 77 CE1 TYR A 4 -3.299 -0.480 -7.494 1.00 13.32 C ATOM 78 CE2 TYR A 4 -1.500 -1.140 -6.061 1.00 32.04 C ATOM 79 CZ TYR A 4 -2.852 -1.033 -6.312 1.00 72.32 C ATOM 80 OH TYR A 4 -3.759 -1.481 -5.379 1.00 52.50 O ATOM 0 H TYR A 4 0.190 1.698 -7.008 1.00 15.51 H new ATOM 0 HA TYR A 4 1.122 2.099 -9.772 1.00 42.00 H new ATOM 0 HB2 TYR A 4 -0.413 0.170 -10.221 1.00 21.54 H new ATOM 0 HB3 TYR A 4 0.901 -0.210 -9.125 1.00 21.54 H new ATOM 0 HD1 TYR A 4 -2.739 0.400 -9.352 1.00 23.25 H new ATOM 0 HD2 TYR A 4 0.465 -0.773 -6.798 1.00 41.53 H new ATOM 0 HE1 TYR A 4 -4.358 -0.398 -7.688 1.00 13.32 H new ATOM 0 HE2 TYR A 4 -1.153 -1.574 -5.135 1.00 32.04 H new ATOM 0 HH TYR A 4 -3.280 -1.843 -4.605 1.00 52.50 H new ATOM 90 N VAL A 5 -1.027 3.871 -8.900 1.00 42.35 N ATOM 91 CA VAL A 5 -2.142 4.765 -9.189 1.00 61.04 C ATOM 92 C VAL A 5 -1.708 6.225 -9.121 1.00 71.10 C ATOM 93 O VAL A 5 -1.969 7.004 -10.037 1.00 42.02 O ATOM 94 CB VAL A 5 -3.309 4.541 -8.209 1.00 40.25 C ATOM 95 CG1 VAL A 5 -4.498 5.411 -8.588 1.00 33.13 C ATOM 96 CG2 VAL A 5 -3.702 3.072 -8.176 1.00 24.11 C ATOM 0 H VAL A 5 -0.360 4.235 -8.220 1.00 42.35 H new ATOM 0 HA VAL A 5 -2.478 4.536 -10.200 1.00 61.04 H new ATOM 0 HB VAL A 5 -2.982 4.829 -7.210 1.00 40.25 H new ATOM 0 HG11 VAL A 5 -5.313 5.240 -7.885 1.00 33.13 H new ATOM 0 HG12 VAL A 5 -4.206 6.461 -8.556 1.00 33.13 H new ATOM 0 HG13 VAL A 5 -4.828 5.157 -9.595 1.00 33.13 H new ATOM 0 HG21 VAL A 5 -4.528 2.932 -7.479 1.00 24.11 H new ATOM 0 HG22 VAL A 5 -4.011 2.755 -9.172 1.00 24.11 H new ATOM 0 HG23 VAL A 5 -2.849 2.474 -7.853 1.00 24.11 H new ATOM 106 N ALA A 6 -1.044 6.589 -8.029 1.00 21.41 N ATOM 107 CA ALA A 6 -0.571 7.955 -7.842 1.00 32.44 C ATOM 108 C ALA A 6 0.878 8.101 -8.293 1.00 60.21 C ATOM 109 O ALA A 6 1.590 8.998 -7.844 1.00 2.12 O ATOM 110 CB ALA A 6 -0.716 8.368 -6.385 1.00 15.43 C ATOM 0 H ALA A 6 -0.821 5.957 -7.260 1.00 21.41 H new ATOM 0 HA ALA A 6 -1.184 8.613 -8.458 1.00 32.44 H new ATOM 0 HB1 ALA A 6 -0.359 9.390 -6.259 1.00 15.43 H new ATOM 0 HB2 ALA A 6 -1.765 8.311 -6.093 1.00 15.43 H new ATOM 0 HB3 ALA A 6 -0.128 7.699 -5.757 1.00 15.43 H new ATOM 116 N MET A 7 1.308 7.213 -9.183 1.00 60.43 N ATOM 117 CA MET A 7 2.673 7.244 -9.695 1.00 61.05 C ATOM 118 C MET A 7 2.733 6.694 -11.117 1.00 41.31 C ATOM 119 O MET A 7 3.791 6.274 -11.587 1.00 12.51 O ATOM 120 CB MET A 7 3.601 6.438 -8.785 1.00 31.52 C ATOM 121 CG MET A 7 4.637 7.287 -8.067 1.00 13.33 C ATOM 122 SD MET A 7 6.308 7.017 -8.687 1.00 20.41 S ATOM 123 CE MET A 7 7.251 7.103 -7.167 1.00 4.52 C ATOM 0 H MET A 7 0.731 6.463 -9.565 1.00 60.43 H new ATOM 0 HA MET A 7 3.004 8.282 -9.711 1.00 61.05 H new ATOM 0 HB2 MET A 7 3.001 5.909 -8.045 1.00 31.52 H new ATOM 0 HB3 MET A 7 4.113 5.682 -9.380 1.00 31.52 H new ATOM 0 HG2 MET A 7 4.378 8.340 -8.178 1.00 13.33 H new ATOM 0 HG3 MET A 7 4.609 7.063 -7.001 1.00 13.33 H new ATOM 0 HE1 MET A 7 8.308 6.954 -7.386 1.00 4.52 H new ATOM 0 HE2 MET A 7 7.110 8.081 -6.706 1.00 4.52 H new ATOM 0 HE3 MET A 7 6.909 6.326 -6.483 1.00 4.52 H new ATOM 133 N VAL A 8 1.591 6.699 -11.798 1.00 2.44 N ATOM 134 CA VAL A 8 1.515 6.202 -13.166 1.00 55.00 C ATOM 135 C VAL A 8 0.945 7.260 -14.104 1.00 53.02 C ATOM 136 O VAL A 8 1.356 7.366 -15.260 1.00 25.31 O ATOM 137 CB VAL A 8 0.647 4.933 -13.254 1.00 34.40 C ATOM 138 CG1 VAL A 8 -0.764 5.214 -12.758 1.00 44.33 C ATOM 139 CG2 VAL A 8 0.624 4.401 -14.679 1.00 55.22 C ATOM 0 H VAL A 8 0.706 7.042 -11.424 1.00 2.44 H new ATOM 0 HA VAL A 8 2.533 5.960 -13.472 1.00 55.00 H new ATOM 0 HB VAL A 8 1.086 4.169 -12.612 1.00 34.40 H new ATOM 0 HG11 VAL A 8 -1.362 4.305 -12.828 1.00 44.33 H new ATOM 0 HG12 VAL A 8 -0.726 5.544 -11.720 1.00 44.33 H new ATOM 0 HG13 VAL A 8 -1.216 5.994 -13.370 1.00 44.33 H new ATOM 0 HG21 VAL A 8 0.006 3.504 -14.723 1.00 55.22 H new ATOM 0 HG22 VAL A 8 0.210 5.159 -15.344 1.00 55.22 H new ATOM 0 HG23 VAL A 8 1.639 4.158 -14.993 1.00 55.22 H new ATOM 149 N ILE A 9 -0.004 8.041 -13.599 1.00 50.33 N ATOM 150 CA ILE A 9 -0.629 9.093 -14.392 1.00 73.40 C ATOM 151 C ILE A 9 0.067 10.432 -14.176 1.00 63.22 C ATOM 152 O ILE A 9 0.046 11.301 -15.047 1.00 44.25 O ATOM 153 CB ILE A 9 -2.123 9.243 -14.050 1.00 33.33 C ATOM 154 CG1 ILE A 9 -2.818 7.880 -14.091 1.00 22.02 C ATOM 155 CG2 ILE A 9 -2.792 10.213 -15.011 1.00 52.44 C ATOM 156 CD1 ILE A 9 -4.290 7.941 -13.748 1.00 41.43 C ATOM 0 H ILE A 9 -0.357 7.965 -12.645 1.00 50.33 H new ATOM 0 HA ILE A 9 -0.531 8.800 -15.437 1.00 73.40 H new ATOM 0 HB ILE A 9 -2.210 9.644 -13.040 1.00 33.33 H new ATOM 0 HG12 ILE A 9 -2.703 7.452 -15.087 1.00 22.02 H new ATOM 0 HG13 ILE A 9 -2.319 7.206 -13.395 1.00 22.02 H new ATOM 0 HG21 ILE A 9 -3.847 10.308 -14.756 1.00 52.44 H new ATOM 0 HG22 ILE A 9 -2.311 11.189 -14.937 1.00 52.44 H new ATOM 0 HG23 ILE A 9 -2.697 9.839 -16.030 1.00 52.44 H new ATOM 0 HD11 ILE A 9 -4.717 6.939 -13.797 1.00 41.43 H new ATOM 0 HD12 ILE A 9 -4.413 8.339 -12.741 1.00 41.43 H new ATOM 0 HD13 ILE A 9 -4.803 8.589 -14.459 1.00 41.43 H new ATOM 168 N TRP A 10 0.685 10.590 -13.011 1.00 74.01 N ATOM 169 CA TRP A 10 1.390 11.823 -12.681 1.00 51.43 C ATOM 170 C TRP A 10 2.513 12.091 -13.677 1.00 50.20 C ATOM 171 O TRP A 10 2.812 13.243 -13.996 1.00 30.22 O ATOM 172 CB TRP A 10 1.957 11.747 -11.263 1.00 13.23 C ATOM 173 CG TRP A 10 1.056 12.355 -10.230 1.00 23.42 C ATOM 174 CD1 TRP A 10 1.312 13.458 -9.467 1.00 13.21 C ATOM 175 CD2 TRP A 10 -0.243 11.891 -9.846 1.00 23.21 C ATOM 176 NE1 TRP A 10 0.250 13.708 -8.632 1.00 14.32 N ATOM 177 CE2 TRP A 10 -0.717 12.762 -8.846 1.00 31.35 C ATOM 178 CE3 TRP A 10 -1.052 10.826 -10.251 1.00 51.22 C ATOM 179 CZ2 TRP A 10 -1.963 12.598 -8.246 1.00 60.20 C ATOM 180 CZ3 TRP A 10 -2.288 10.665 -9.655 1.00 32.20 C ATOM 181 CH2 TRP A 10 -2.734 11.547 -8.662 1.00 75.10 C ATOM 0 H TRP A 10 0.712 9.880 -12.279 1.00 74.01 H new ATOM 0 HA TRP A 10 0.677 12.646 -12.736 1.00 51.43 H new ATOM 0 HB2 TRP A 10 2.139 10.703 -11.007 1.00 13.23 H new ATOM 0 HB3 TRP A 10 2.922 12.254 -11.237 1.00 13.23 H new ATOM 0 HD1 TRP A 10 2.216 14.047 -9.513 1.00 13.21 H new ATOM 0 HE1 TRP A 10 0.191 14.474 -7.961 1.00 14.32 H new ATOM 0 HE3 TRP A 10 -0.717 10.141 -11.016 1.00 51.22 H new ATOM 0 HZ2 TRP A 10 -2.308 13.276 -7.480 1.00 60.20 H new ATOM 0 HZ3 TRP A 10 -2.921 9.845 -9.960 1.00 32.20 H new ATOM 0 HH2 TRP A 10 -3.706 11.394 -8.216 1.00 75.10 H new ATOM 192 N LEU A 11 3.132 11.022 -14.166 1.00 11.24 N ATOM 193 CA LEU A 11 4.223 11.142 -15.127 1.00 11.34 C ATOM 194 C LEU A 11 3.725 10.904 -16.548 1.00 70.15 C ATOM 195 O LEU A 11 4.302 11.409 -17.512 1.00 33.11 O ATOM 196 CB LEU A 11 5.336 10.149 -14.791 1.00 24.34 C ATOM 197 CG LEU A 11 5.881 10.208 -13.363 1.00 11.30 C ATOM 198 CD1 LEU A 11 6.206 8.811 -12.857 1.00 15.52 C ATOM 199 CD2 LEU A 11 7.112 11.100 -13.299 1.00 0.45 C ATOM 0 H LEU A 11 2.897 10.062 -13.913 1.00 11.24 H new ATOM 0 HA LEU A 11 4.619 12.156 -15.066 1.00 11.34 H new ATOM 0 HB2 LEU A 11 4.964 9.141 -14.975 1.00 24.34 H new ATOM 0 HB3 LEU A 11 6.163 10.314 -15.481 1.00 24.34 H new ATOM 0 HG LEU A 11 5.113 10.636 -12.719 1.00 11.30 H new ATOM 0 HD11 LEU A 11 6.592 8.873 -11.840 1.00 15.52 H new ATOM 0 HD12 LEU A 11 5.302 8.202 -12.865 1.00 15.52 H new ATOM 0 HD13 LEU A 11 6.957 8.356 -13.503 1.00 15.52 H new ATOM 0 HD21 LEU A 11 7.486 11.130 -12.276 1.00 0.45 H new ATOM 0 HD22 LEU A 11 7.885 10.701 -13.956 1.00 0.45 H new ATOM 0 HD23 LEU A 11 6.848 12.108 -13.619 1.00 0.45 H new ATOM 211 N TYR A 12 2.650 10.133 -16.672 1.00 10.43 N ATOM 212 CA TYR A 12 2.074 9.828 -17.976 1.00 21.21 C ATOM 213 C TYR A 12 0.920 10.773 -18.297 1.00 30.33 C ATOM 214 O TYR A 12 0.015 10.430 -19.058 1.00 24.21 O ATOM 215 CB TYR A 12 1.587 8.378 -18.015 1.00 1.32 C ATOM 216 CG TYR A 12 1.448 7.824 -19.414 1.00 60.45 C ATOM 217 CD1 TYR A 12 2.552 7.711 -20.251 1.00 52.30 C ATOM 218 CD2 TYR A 12 0.213 7.413 -19.901 1.00 21.22 C ATOM 219 CE1 TYR A 12 2.430 7.206 -21.531 1.00 34.21 C ATOM 220 CE2 TYR A 12 0.082 6.905 -21.179 1.00 32.34 C ATOM 221 CZ TYR A 12 1.193 6.803 -21.990 1.00 13.41 C ATOM 222 OH TYR A 12 1.066 6.299 -23.264 1.00 12.11 O ATOM 0 H TYR A 12 2.160 9.708 -15.885 1.00 10.43 H new ATOM 0 HA TYR A 12 2.851 9.964 -18.729 1.00 21.21 H new ATOM 0 HB2 TYR A 12 2.283 7.755 -17.454 1.00 1.32 H new ATOM 0 HB3 TYR A 12 0.623 8.314 -17.510 1.00 1.32 H new ATOM 0 HD1 TYR A 12 3.522 8.024 -19.894 1.00 52.30 H new ATOM 0 HD2 TYR A 12 -0.659 7.492 -19.269 1.00 21.22 H new ATOM 0 HE1 TYR A 12 3.298 7.127 -22.169 1.00 34.21 H new ATOM 0 HE2 TYR A 12 -0.885 6.589 -21.541 1.00 32.34 H new ATOM 0 HH TYR A 12 0.130 6.061 -23.430 1.00 12.11 H new ATOM 232 N SER A 13 0.959 11.965 -17.710 1.00 65.14 N ATOM 233 CA SER A 13 -0.084 12.960 -17.930 1.00 62.31 C ATOM 234 C SER A 13 0.236 14.255 -17.190 1.00 32.24 C ATOM 235 O SER A 13 -0.663 14.950 -16.717 1.00 4.14 O ATOM 236 CB SER A 13 -1.439 12.418 -17.472 1.00 12.01 C ATOM 237 OG SER A 13 -2.472 12.813 -18.358 1.00 32.21 O ATOM 0 H SER A 13 1.702 12.265 -17.078 1.00 65.14 H new ATOM 0 HA SER A 13 -0.129 13.174 -18.998 1.00 62.31 H new ATOM 0 HB2 SER A 13 -1.399 11.330 -17.417 1.00 12.01 H new ATOM 0 HB3 SER A 13 -1.659 12.780 -16.468 1.00 12.01 H new ATOM 0 HG SER A 13 -3.328 12.453 -18.044 1.00 32.21 H new ATOM 243 N ALA A 14 1.523 14.572 -17.093 1.00 71.33 N ATOM 244 CA ALA A 14 1.962 15.783 -16.413 1.00 4.44 C ATOM 245 C ALA A 14 3.465 15.987 -16.570 1.00 44.11 C ATOM 246 O ALA A 14 4.125 16.530 -15.683 1.00 73.31 O ATOM 247 CB ALA A 14 1.587 15.727 -14.939 1.00 71.23 C ATOM 0 H ALA A 14 2.280 14.006 -17.477 1.00 71.33 H new ATOM 0 HA ALA A 14 1.456 16.632 -16.874 1.00 4.44 H new ATOM 0 HB1 ALA A 14 1.921 16.639 -14.444 1.00 71.23 H new ATOM 0 HB2 ALA A 14 0.505 15.637 -14.842 1.00 71.23 H new ATOM 0 HB3 ALA A 14 2.066 14.865 -14.474 1.00 71.23 H new ATOM 253 N PHE A 15 4.002 15.548 -17.704 1.00 33.02 N ATOM 254 CA PHE A 15 5.428 15.681 -17.977 1.00 21.35 C ATOM 255 C PHE A 15 5.741 15.319 -19.426 1.00 12.14 C ATOM 256 O PHE A 15 6.583 15.949 -20.066 1.00 13.01 O ATOM 257 CB PHE A 15 6.235 14.788 -17.031 1.00 11.51 C ATOM 258 CG PHE A 15 7.704 15.103 -17.018 1.00 33.43 C ATOM 259 CD1 PHE A 15 8.559 14.520 -17.939 1.00 75.33 C ATOM 260 CD2 PHE A 15 8.229 15.981 -16.084 1.00 43.22 C ATOM 261 CE1 PHE A 15 9.910 14.807 -17.929 1.00 25.53 C ATOM 262 CE2 PHE A 15 9.581 16.272 -16.069 1.00 15.20 C ATOM 263 CZ PHE A 15 10.422 15.685 -16.993 1.00 71.33 C ATOM 0 H PHE A 15 3.471 15.097 -18.449 1.00 33.02 H new ATOM 0 HA PHE A 15 5.708 16.721 -17.812 1.00 21.35 H new ATOM 0 HB2 PHE A 15 5.840 14.892 -16.020 1.00 11.51 H new ATOM 0 HB3 PHE A 15 6.097 13.746 -17.321 1.00 11.51 H new ATOM 0 HD1 PHE A 15 8.165 13.833 -18.673 1.00 75.33 H new ATOM 0 HD2 PHE A 15 7.575 16.443 -15.359 1.00 43.22 H new ATOM 0 HE1 PHE A 15 10.566 14.345 -18.652 1.00 25.53 H new ATOM 0 HE2 PHE A 15 9.978 16.958 -15.335 1.00 15.20 H new ATOM 0 HZ PHE A 15 11.478 15.912 -16.984 1.00 71.33 H new ATOM 273 N ARG A 16 5.057 14.300 -19.936 1.00 11.14 N ATOM 274 CA ARG A 16 5.262 13.853 -21.308 1.00 22.30 C ATOM 275 C ARG A 16 4.281 14.537 -22.255 1.00 71.23 C ATOM 276 O ARG A 16 4.609 14.822 -23.406 1.00 64.42 O ATOM 277 CB ARG A 16 5.103 12.334 -21.401 1.00 41.11 C ATOM 278 CG ARG A 16 3.681 11.855 -21.162 1.00 34.00 C ATOM 279 CD ARG A 16 2.960 11.573 -22.471 1.00 43.03 C ATOM 280 NE ARG A 16 1.610 12.130 -22.484 1.00 44.23 N ATOM 281 CZ ARG A 16 0.778 12.015 -23.513 1.00 12.31 C ATOM 282 NH1 ARG A 16 1.155 11.366 -24.606 1.00 12.31 N ATOM 283 NH2 ARG A 16 -0.435 12.550 -23.449 1.00 70.33 N ATOM 0 H ARG A 16 4.356 13.769 -19.419 1.00 11.14 H new ATOM 0 HA ARG A 16 6.275 14.124 -21.605 1.00 22.30 H new ATOM 0 HB2 ARG A 16 5.428 12.003 -22.387 1.00 41.11 H new ATOM 0 HB3 ARG A 16 5.763 11.863 -20.673 1.00 41.11 H new ATOM 0 HG2 ARG A 16 3.698 10.951 -20.553 1.00 34.00 H new ATOM 0 HG3 ARG A 16 3.132 12.609 -20.598 1.00 34.00 H new ATOM 0 HD2 ARG A 16 3.533 11.992 -23.298 1.00 43.03 H new ATOM 0 HD3 ARG A 16 2.909 10.496 -22.632 1.00 43.03 H new ATOM 0 HE ARG A 16 1.289 12.635 -21.658 1.00 44.23 H new ATOM 0 HH11 ARG A 16 2.086 10.953 -24.658 1.00 12.31 H new ATOM 0 HH12 ARG A 16 0.514 11.279 -25.394 1.00 12.31 H new ATOM 0 HH21 ARG A 16 -0.728 13.050 -22.610 1.00 70.33 H new ATOM 0 HH22 ARG A 16 -1.074 12.462 -24.239 1.00 70.33 H new ATOM 297 N GLY A 17 3.074 14.797 -21.762 1.00 52.03 N ATOM 298 CA GLY A 17 2.063 15.445 -22.578 1.00 21.41 C ATOM 299 C GLY A 17 2.470 16.841 -23.004 1.00 54.23 C ATOM 300 O GLY A 17 1.945 17.378 -23.980 1.00 61.34 O ATOM 0 H GLY A 17 2.778 14.571 -20.812 1.00 52.03 H new ATOM 0 HA2 GLY A 17 1.872 14.839 -23.464 1.00 21.41 H new ATOM 0 HA3 GLY A 17 1.128 15.497 -22.020 1.00 21.41 H new ATOM 304 N VAL A 18 3.406 17.433 -22.270 1.00 43.42 N ATOM 305 CA VAL A 18 3.883 18.777 -22.577 1.00 74.22 C ATOM 306 C VAL A 18 4.966 18.744 -23.649 1.00 51.15 C ATOM 307 O VAL A 18 4.950 19.543 -24.586 1.00 33.33 O ATOM 308 CB VAL A 18 4.439 19.476 -21.322 1.00 73.43 C ATOM 309 CG1 VAL A 18 4.752 20.934 -21.618 1.00 0.41 C ATOM 310 CG2 VAL A 18 3.456 19.356 -20.167 1.00 43.21 C ATOM 0 H VAL A 18 3.850 17.003 -21.458 1.00 43.42 H new ATOM 0 HA VAL A 18 3.026 19.340 -22.947 1.00 74.22 H new ATOM 0 HB VAL A 18 5.367 18.982 -21.032 1.00 73.43 H new ATOM 0 HG11 VAL A 18 5.144 21.412 -20.720 1.00 0.41 H new ATOM 0 HG12 VAL A 18 5.495 20.992 -22.413 1.00 0.41 H new ATOM 0 HG13 VAL A 18 3.842 21.445 -21.933 1.00 0.41 H new ATOM 0 HG21 VAL A 18 3.864 19.855 -19.288 1.00 43.21 H new ATOM 0 HG22 VAL A 18 2.511 19.824 -20.443 1.00 43.21 H new ATOM 0 HG23 VAL A 18 3.287 18.303 -19.941 1.00 43.21 H new ATOM 320 N GLN A 19 5.905 17.815 -23.506 1.00 3.04 N ATOM 321 CA GLN A 19 6.997 17.679 -24.462 1.00 60.35 C ATOM 322 C GLN A 19 6.575 16.823 -25.652 1.00 34.41 C ATOM 323 O GLN A 19 7.219 15.823 -25.971 1.00 23.32 O ATOM 324 CB GLN A 19 8.223 17.063 -23.786 1.00 33.14 C ATOM 325 CG GLN A 19 9.540 17.470 -24.426 1.00 21.22 C ATOM 326 CD GLN A 19 10.667 16.507 -24.106 1.00 14.25 C ATOM 327 OE1 GLN A 19 11.239 15.884 -25.000 1.00 4.20 O ATOM 328 NE2 GLN A 19 10.991 16.380 -22.824 1.00 50.41 N ATOM 0 H GLN A 19 5.932 17.145 -22.737 1.00 3.04 H new ATOM 0 HA GLN A 19 7.253 18.674 -24.825 1.00 60.35 H new ATOM 0 HB2 GLN A 19 8.233 17.355 -22.736 1.00 33.14 H new ATOM 0 HB3 GLN A 19 8.135 15.977 -23.814 1.00 33.14 H new ATOM 0 HG2 GLN A 19 9.412 17.527 -25.507 1.00 21.22 H new ATOM 0 HG3 GLN A 19 9.812 18.469 -24.084 1.00 21.22 H new ATOM 0 HE21 GLN A 19 10.490 16.916 -22.116 1.00 50.41 H new ATOM 0 HE22 GLN A 19 11.741 15.746 -22.548 1.00 50.41 H new ATOM 337 N LEU A 20 5.488 17.221 -26.305 1.00 22.44 N ATOM 338 CA LEU A 20 4.979 16.490 -27.460 1.00 33.44 C ATOM 339 C LEU A 20 3.738 17.169 -28.030 1.00 35.43 C ATOM 340 O LEU A 20 3.519 17.172 -29.242 1.00 3.43 O ATOM 341 CB LEU A 20 4.652 15.047 -27.071 1.00 74.30 C ATOM 342 CG LEU A 20 3.814 14.255 -28.075 1.00 75.42 C ATOM 343 CD1 LEU A 20 4.532 12.977 -28.480 1.00 21.22 C ATOM 344 CD2 LEU A 20 2.444 13.937 -27.494 1.00 13.14 C ATOM 0 H LEU A 20 4.943 18.046 -26.054 1.00 22.44 H new ATOM 0 HA LEU A 20 5.753 16.486 -28.227 1.00 33.44 H new ATOM 0 HB2 LEU A 20 5.589 14.514 -26.910 1.00 74.30 H new ATOM 0 HB3 LEU A 20 4.124 15.060 -26.117 1.00 74.30 H new ATOM 0 HG LEU A 20 3.676 14.868 -28.966 1.00 75.42 H new ATOM 0 HD11 LEU A 20 3.920 12.427 -29.195 1.00 21.22 H new ATOM 0 HD12 LEU A 20 5.489 13.227 -28.938 1.00 21.22 H new ATOM 0 HD13 LEU A 20 4.702 12.360 -27.598 1.00 21.22 H new ATOM 0 HD21 LEU A 20 1.862 13.373 -28.223 1.00 13.14 H new ATOM 0 HD22 LEU A 20 2.562 13.344 -26.587 1.00 13.14 H new ATOM 0 HD23 LEU A 20 1.925 14.866 -27.256 1.00 13.14 H new ATOM 356 N THR A 21 2.927 17.745 -27.148 1.00 33.03 N ATOM 357 CA THR A 21 1.708 18.428 -27.563 1.00 0.25 C ATOM 358 C THR A 21 1.970 19.906 -27.829 1.00 12.21 C ATOM 359 O THR A 21 1.239 20.550 -28.583 1.00 24.14 O ATOM 360 CB THR A 21 0.601 18.298 -26.499 1.00 43.11 C ATOM 361 OG1 THR A 21 0.316 16.916 -26.255 1.00 41.14 O ATOM 362 CG2 THR A 21 -0.666 19.011 -26.947 1.00 3.34 C ATOM 0 H THR A 21 3.093 17.752 -26.142 1.00 33.03 H new ATOM 0 HA THR A 21 1.375 17.949 -28.484 1.00 0.25 H new ATOM 0 HB THR A 21 0.955 18.763 -25.579 1.00 43.11 H new ATOM 0 HG1 THR A 21 0.763 16.630 -25.431 1.00 41.14 H new ATOM 0 HG21 THR A 21 -1.433 18.906 -26.180 1.00 3.34 H new ATOM 0 HG22 THR A 21 -0.452 20.068 -27.104 1.00 3.34 H new ATOM 0 HG23 THR A 21 -1.021 18.571 -27.879 1.00 3.34 H new ATOM 370 N TYR A 22 3.016 20.438 -27.207 1.00 12.32 N ATOM 371 CA TYR A 22 3.373 21.842 -27.376 1.00 31.23 C ATOM 372 C TYR A 22 4.794 21.982 -27.912 1.00 63.30 C ATOM 373 O TYR A 22 5.358 23.075 -27.928 1.00 52.42 O ATOM 374 CB TYR A 22 3.242 22.587 -26.046 1.00 70.41 C ATOM 375 CG TYR A 22 2.588 23.944 -26.174 1.00 71.22 C ATOM 376 CD1 TYR A 22 1.298 24.070 -26.675 1.00 12.44 C ATOM 377 CD2 TYR A 22 3.260 25.099 -25.796 1.00 11.42 C ATOM 378 CE1 TYR A 22 0.696 25.308 -26.794 1.00 42.32 C ATOM 379 CE2 TYR A 22 2.666 26.341 -25.910 1.00 52.24 C ATOM 380 CZ TYR A 22 1.384 26.441 -26.410 1.00 61.43 C ATOM 381 OH TYR A 22 0.789 27.676 -26.527 1.00 62.14 O ATOM 0 H TYR A 22 3.632 19.919 -26.581 1.00 12.32 H new ATOM 0 HA TYR A 22 2.686 22.281 -28.100 1.00 31.23 H new ATOM 0 HB2 TYR A 22 2.662 21.977 -25.353 1.00 70.41 H new ATOM 0 HB3 TYR A 22 4.233 22.710 -25.609 1.00 70.41 H new ATOM 0 HD1 TYR A 22 0.757 23.185 -26.976 1.00 12.44 H new ATOM 0 HD2 TYR A 22 4.264 25.025 -25.406 1.00 11.42 H new ATOM 0 HE1 TYR A 22 -0.307 25.389 -27.185 1.00 42.32 H new ATOM 0 HE2 TYR A 22 3.202 27.229 -25.609 1.00 52.24 H new ATOM 0 HH TYR A 22 1.407 28.368 -26.212 1.00 62.14 H new ATOM 391 N GLU A 23 5.367 20.865 -28.351 1.00 32.13 N ATOM 392 CA GLU A 23 6.722 20.862 -28.888 1.00 4.42 C ATOM 393 C GLU A 23 6.725 20.452 -30.358 1.00 34.14 C ATOM 394 O GLU A 23 7.623 20.820 -31.115 1.00 71.13 O ATOM 395 CB GLU A 23 7.613 19.915 -28.081 1.00 73.10 C ATOM 396 CG GLU A 23 8.146 20.527 -26.796 1.00 71.25 C ATOM 397 CD GLU A 23 9.383 21.374 -27.023 1.00 61.43 C ATOM 398 OE1 GLU A 23 9.621 21.780 -28.180 1.00 15.43 O ATOM 399 OE2 GLU A 23 10.114 21.630 -26.043 1.00 71.43 O ATOM 0 H GLU A 23 4.914 19.951 -28.345 1.00 32.13 H new ATOM 0 HA GLU A 23 7.117 21.875 -28.811 1.00 4.42 H new ATOM 0 HB2 GLU A 23 7.047 19.016 -27.838 1.00 73.10 H new ATOM 0 HB3 GLU A 23 8.454 19.604 -28.701 1.00 73.10 H new ATOM 0 HG2 GLU A 23 7.369 21.140 -26.340 1.00 71.25 H new ATOM 0 HG3 GLU A 23 8.380 19.731 -26.089 1.00 71.25 H new ATOM 406 N HIS A 24 5.713 19.686 -30.754 1.00 14.44 N ATOM 407 CA HIS A 24 5.597 19.225 -32.132 1.00 51.15 C ATOM 408 C HIS A 24 5.707 20.394 -33.107 1.00 74.33 C ATOM 409 O HIS A 24 6.303 20.270 -34.178 1.00 32.13 O ATOM 410 CB HIS A 24 4.269 18.497 -32.339 1.00 74.41 C ATOM 411 CG HIS A 24 3.068 19.364 -32.116 1.00 45.55 C ATOM 412 ND1 HIS A 24 2.078 19.536 -33.060 1.00 71.53 N ATOM 413 CD2 HIS A 24 2.702 20.111 -31.049 1.00 14.03 C ATOM 414 CE1 HIS A 24 1.155 20.351 -32.583 1.00 55.15 C ATOM 415 NE2 HIS A 24 1.509 20.714 -31.364 1.00 50.31 N ATOM 0 H HIS A 24 4.962 19.372 -30.140 1.00 14.44 H new ATOM 0 HA HIS A 24 6.416 18.533 -32.327 1.00 51.15 H new ATOM 0 HB2 HIS A 24 4.236 18.100 -33.354 1.00 74.41 H new ATOM 0 HB3 HIS A 24 4.222 17.645 -31.661 1.00 74.41 H new ATOM 0 HD2 HIS A 24 3.247 20.214 -30.122 1.00 14.03 H new ATOM 0 HE1 HIS A 24 0.262 20.667 -33.102 1.00 55.15 H new ATOM 0 HE2 HIS A 24 0.982 21.340 -30.755 1.00 50.31 H new ATOM 423 N THR A 25 5.127 21.529 -32.730 1.00 53.24 N ATOM 424 CA THR A 25 5.158 22.719 -33.571 1.00 54.04 C ATOM 425 C THR A 25 5.763 23.903 -32.826 1.00 55.44 C ATOM 426 O THR A 25 5.100 24.919 -32.614 1.00 64.23 O ATOM 427 CB THR A 25 3.747 23.100 -34.058 1.00 74.31 C ATOM 428 OG1 THR A 25 2.879 23.300 -32.937 1.00 30.03 O ATOM 429 CG2 THR A 25 3.175 22.017 -34.961 1.00 21.22 C ATOM 0 H THR A 25 4.630 21.649 -31.847 1.00 53.24 H new ATOM 0 HA THR A 25 5.780 22.480 -34.434 1.00 54.04 H new ATOM 0 HB THR A 25 3.822 24.025 -34.629 1.00 74.31 H new ATOM 0 HG1 THR A 25 3.246 24.002 -32.360 1.00 30.03 H new ATOM 0 HG21 THR A 25 2.178 22.308 -35.292 1.00 21.22 H new ATOM 0 HG22 THR A 25 3.822 21.887 -35.828 1.00 21.22 H new ATOM 0 HG23 THR A 25 3.114 21.078 -34.410 1.00 21.22 H new ATOM 437 N MET A 26 7.024 23.767 -32.432 1.00 62.50 N ATOM 438 CA MET A 26 7.719 24.827 -31.712 1.00 12.51 C ATOM 439 C MET A 26 8.972 25.265 -32.464 1.00 14.20 C ATOM 440 O MET A 26 9.005 26.342 -33.061 1.00 70.14 O ATOM 441 CB MET A 26 8.093 24.358 -30.305 1.00 34.14 C ATOM 442 CG MET A 26 7.308 25.053 -29.204 1.00 5.34 C ATOM 443 SD MET A 26 7.965 24.710 -27.560 1.00 22.31 S ATOM 444 CE MET A 26 8.027 26.361 -26.868 1.00 61.41 C ATOM 0 H MET A 26 7.586 22.932 -32.599 1.00 62.50 H new ATOM 0 HA MET A 26 7.046 25.681 -31.635 1.00 12.51 H new ATOM 0 HB2 MET A 26 7.929 23.283 -30.234 1.00 34.14 H new ATOM 0 HB3 MET A 26 9.157 24.529 -30.145 1.00 34.14 H new ATOM 0 HG2 MET A 26 7.320 26.129 -29.378 1.00 5.34 H new ATOM 0 HG3 MET A 26 6.267 24.734 -29.249 1.00 5.34 H new ATOM 0 HE1 MET A 26 8.414 26.315 -25.850 1.00 61.41 H new ATOM 0 HE2 MET A 26 8.680 26.986 -27.476 1.00 61.41 H new ATOM 0 HE3 MET A 26 7.024 26.788 -26.856 1.00 61.41 H new ATOM 454 N LEU A 27 10.000 24.425 -32.431 1.00 31.13 N ATOM 455 CA LEU A 27 11.256 24.725 -33.109 1.00 52.44 C ATOM 456 C LEU A 27 11.505 23.747 -34.253 1.00 33.45 C ATOM 457 O LEU A 27 12.641 23.565 -34.689 1.00 73.34 O ATOM 458 CB LEU A 27 12.419 24.675 -32.117 1.00 41.14 C ATOM 459 CG LEU A 27 12.527 23.405 -31.274 1.00 23.44 C ATOM 460 CD1 LEU A 27 13.704 22.557 -31.733 1.00 11.53 C ATOM 461 CD2 LEU A 27 12.662 23.754 -29.799 1.00 24.23 C ATOM 0 H LEU A 27 9.989 23.530 -31.942 1.00 31.13 H new ATOM 0 HA LEU A 27 11.185 25.730 -33.525 1.00 52.44 H new ATOM 0 HB2 LEU A 27 13.349 24.799 -32.672 1.00 41.14 H new ATOM 0 HB3 LEU A 27 12.333 25.528 -31.444 1.00 41.14 H new ATOM 0 HG LEU A 27 11.614 22.825 -31.408 1.00 23.44 H new ATOM 0 HD11 LEU A 27 13.765 21.657 -31.121 1.00 11.53 H new ATOM 0 HD12 LEU A 27 13.565 22.277 -32.777 1.00 11.53 H new ATOM 0 HD13 LEU A 27 14.626 23.129 -31.630 1.00 11.53 H new ATOM 0 HD21 LEU A 27 12.738 22.838 -29.214 1.00 24.23 H new ATOM 0 HD22 LEU A 27 13.558 24.356 -29.648 1.00 24.23 H new ATOM 0 HD23 LEU A 27 11.787 24.319 -29.477 1.00 24.23 H new ATOM 473 N GLN A 28 10.435 23.121 -34.733 1.00 12.31 N ATOM 474 CA GLN A 28 10.538 22.162 -35.827 1.00 12.45 C ATOM 475 C GLN A 28 9.837 22.685 -37.076 1.00 72.42 C ATOM 476 O GLN A 28 9.458 21.912 -37.957 1.00 51.53 O ATOM 477 CB GLN A 28 9.935 20.819 -35.413 1.00 62.31 C ATOM 478 CG GLN A 28 10.937 19.876 -34.767 1.00 20.34 C ATOM 479 CD GLN A 28 11.879 19.245 -35.773 1.00 51.34 C ATOM 480 OE1 GLN A 28 11.592 18.185 -36.329 1.00 65.53 O ATOM 481 NE2 GLN A 28 13.011 19.897 -36.014 1.00 72.51 N ATOM 0 H GLN A 28 9.488 23.261 -34.382 1.00 12.31 H new ATOM 0 HA GLN A 28 11.594 22.022 -36.057 1.00 12.45 H new ATOM 0 HB2 GLN A 28 9.115 20.997 -34.717 1.00 62.31 H new ATOM 0 HB3 GLN A 28 9.508 20.336 -36.292 1.00 62.31 H new ATOM 0 HG2 GLN A 28 11.518 20.423 -34.025 1.00 20.34 H new ATOM 0 HG3 GLN A 28 10.400 19.090 -34.236 1.00 20.34 H new ATOM 0 HE21 GLN A 28 13.208 20.773 -35.530 1.00 72.51 H new ATOM 0 HE22 GLN A 28 13.683 19.522 -36.683 1.00 72.51 H new ATOM 490 N LYS A 29 9.666 24.000 -37.147 1.00 5.52 N ATOM 491 CA LYS A 29 9.012 24.628 -38.289 1.00 33.52 C ATOM 492 C LYS A 29 7.570 24.148 -38.420 1.00 73.10 C ATOM 493 O LYS A 29 6.964 24.253 -39.487 1.00 11.23 O ATOM 494 CB LYS A 29 9.781 24.321 -39.576 1.00 3.34 C ATOM 495 CG LYS A 29 11.275 24.576 -39.466 1.00 73.14 C ATOM 496 CD LYS A 29 11.980 24.332 -40.790 1.00 2.41 C ATOM 497 CE LYS A 29 13.412 23.865 -40.580 1.00 45.45 C ATOM 498 NZ LYS A 29 14.393 24.768 -41.245 1.00 71.34 N ATOM 0 H LYS A 29 9.972 24.653 -36.426 1.00 5.52 H new ATOM 0 HA LYS A 29 9.006 25.706 -38.125 1.00 33.52 H new ATOM 0 HB2 LYS A 29 9.618 23.278 -39.847 1.00 3.34 H new ATOM 0 HB3 LYS A 29 9.376 24.928 -40.385 1.00 3.34 H new ATOM 0 HG2 LYS A 29 11.447 25.603 -39.145 1.00 73.14 H new ATOM 0 HG3 LYS A 29 11.701 23.927 -38.701 1.00 73.14 H new ATOM 0 HD2 LYS A 29 11.432 23.584 -41.363 1.00 2.41 H new ATOM 0 HD3 LYS A 29 11.978 25.249 -41.379 1.00 2.41 H new ATOM 0 HE2 LYS A 29 13.626 23.819 -39.512 1.00 45.45 H new ATOM 0 HE3 LYS A 29 13.525 22.854 -40.971 1.00 45.45 H new ATOM 0 HZ1 LYS A 29 15.357 24.416 -41.079 1.00 71.34 H new ATOM 0 HZ2 LYS A 29 14.205 24.792 -42.268 1.00 71.34 H new ATOM 0 HZ3 LYS A 29 14.303 25.727 -40.854 1.00 71.34 H new ATOM 512 N LYS A 30 7.024 23.622 -37.328 1.00 42.05 N ATOM 513 CA LYS A 30 5.652 23.129 -37.320 1.00 22.51 C ATOM 514 C LYS A 30 5.311 22.447 -38.641 1.00 53.53 C ATOM 515 O LYS A 30 4.526 21.499 -38.677 1.00 43.14 O ATOM 516 CB LYS A 30 4.677 24.278 -37.059 1.00 55.44 C ATOM 517 CG LYS A 30 4.576 25.263 -38.211 1.00 55.23 C ATOM 518 CD LYS A 30 5.527 26.434 -38.029 1.00 60.22 C ATOM 519 CE LYS A 30 6.006 26.976 -39.367 1.00 53.31 C ATOM 520 NZ LYS A 30 5.926 28.462 -39.424 1.00 13.32 N ATOM 0 H LYS A 30 7.511 23.526 -36.437 1.00 42.05 H new ATOM 0 HA LYS A 30 5.561 22.395 -36.519 1.00 22.51 H new ATOM 0 HB2 LYS A 30 3.688 23.866 -36.857 1.00 55.44 H new ATOM 0 HB3 LYS A 30 4.990 24.812 -36.162 1.00 55.44 H new ATOM 0 HG2 LYS A 30 4.801 24.753 -39.148 1.00 55.23 H new ATOM 0 HG3 LYS A 30 3.553 25.632 -38.287 1.00 55.23 H new ATOM 0 HD2 LYS A 30 5.027 27.227 -37.472 1.00 60.22 H new ATOM 0 HD3 LYS A 30 6.385 26.119 -37.435 1.00 60.22 H new ATOM 0 HE2 LYS A 30 7.035 26.661 -39.539 1.00 53.31 H new ATOM 0 HE3 LYS A 30 5.404 26.549 -40.169 1.00 53.31 H new ATOM 0 HZ1 LYS A 30 6.261 28.792 -40.351 1.00 13.32 H new ATOM 0 HZ2 LYS A 30 4.940 28.762 -39.285 1.00 13.32 H new ATOM 0 HZ3 LYS A 30 6.521 28.871 -38.675 1.00 13.32 H new TER 534 LYS A 30