USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 292 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 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 4 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.043) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.072) USER MOD Single : A 8 SER OG : rot 69:sc= 1.15 USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.524) USER MOD Single : A 20 THR OG1 : rot 66:sc= 0.507 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.998) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0285 (180deg=-0.382) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.369 0.550 1.919 1.00 72.44 N ATOM 2 CA LYS A 1 3.235 0.270 0.775 1.00 2.04 C ATOM 3 C LYS A 1 3.321 -1.231 0.592 1.00 52.52 C ATOM 4 O LYS A 1 4.050 -1.914 1.324 1.00 33.43 O ATOM 5 CB LYS A 1 4.647 0.867 1.005 1.00 23.15 C ATOM 6 CG LYS A 1 5.707 0.559 -0.078 1.00 41.31 C ATOM 7 CD LYS A 1 5.757 1.549 -1.261 1.00 40.14 C ATOM 8 CE LYS A 1 4.511 1.590 -2.133 1.00 23.54 C ATOM 9 NZ LYS A 1 4.744 2.423 -3.342 1.00 55.44 N ATOM 0 H1 LYS A 1 2.299 1.578 2.058 1.00 72.44 H new ATOM 0 H2 LYS A 1 1.422 0.160 1.741 1.00 72.44 H new ATOM 0 H3 LYS A 1 2.769 0.111 2.773 1.00 72.44 H new ATOM 0 HA LYS A 1 2.819 0.729 -0.122 1.00 2.04 H new ATOM 0 HB2 LYS A 1 4.551 1.949 1.091 1.00 23.15 H new ATOM 0 HB3 LYS A 1 5.020 0.503 1.962 1.00 23.15 H new ATOM 0 HG2 LYS A 1 6.689 0.536 0.395 1.00 41.31 H new ATOM 0 HG3 LYS A 1 5.519 -0.440 -0.471 1.00 41.31 H new ATOM 0 HD2 LYS A 1 5.937 2.549 -0.868 1.00 40.14 H new ATOM 0 HD3 LYS A 1 6.611 1.295 -1.889 1.00 40.14 H new ATOM 0 HE2 LYS A 1 4.235 0.578 -2.430 1.00 23.54 H new ATOM 0 HE3 LYS A 1 3.675 1.994 -1.562 1.00 23.54 H new ATOM 0 HZ1 LYS A 1 3.882 2.439 -3.924 1.00 55.44 H new ATOM 0 HZ2 LYS A 1 4.985 3.393 -3.054 1.00 55.44 H new ATOM 0 HZ3 LYS A 1 5.528 2.021 -3.895 1.00 55.44 H new ATOM 25 N ASP A 2 2.539 -1.753 -0.319 1.00 12.15 N ATOM 26 CA ASP A 2 2.563 -3.174 -0.619 1.00 24.11 C ATOM 27 C ASP A 2 2.178 -3.358 -2.052 1.00 10.02 C ATOM 28 O ASP A 2 1.348 -2.608 -2.567 1.00 33.03 O ATOM 29 CB ASP A 2 1.609 -3.972 0.271 1.00 44.12 C ATOM 30 CG ASP A 2 1.820 -5.465 0.121 1.00 2.13 C ATOM 31 OD1 ASP A 2 1.185 -6.101 -0.748 1.00 5.55 O ATOM 32 OD2 ASP A 2 2.658 -6.023 0.856 1.00 10.41 O ATOM 0 H ASP A 2 1.871 -1.216 -0.873 1.00 12.15 H new ATOM 0 HA ASP A 2 3.569 -3.548 -0.429 1.00 24.11 H new ATOM 0 HB2 ASP A 2 1.758 -3.686 1.312 1.00 44.12 H new ATOM 0 HB3 ASP A 2 0.579 -3.723 0.016 1.00 44.12 H new ATOM 37 N ILE A 3 2.720 -4.367 -2.675 1.00 74.33 N ATOM 38 CA ILE A 3 2.544 -4.579 -4.085 1.00 61.14 C ATOM 39 C ILE A 3 1.110 -5.002 -4.376 1.00 62.44 C ATOM 40 O ILE A 3 0.529 -4.594 -5.383 1.00 63.20 O ATOM 41 CB ILE A 3 3.553 -5.630 -4.692 1.00 32.12 C ATOM 42 CG1 ILE A 3 5.037 -5.270 -4.416 1.00 65.02 C ATOM 43 CG2 ILE A 3 3.346 -5.770 -6.194 1.00 52.13 C ATOM 44 CD1 ILE A 3 5.513 -5.485 -2.985 1.00 41.11 C ATOM 0 H ILE A 3 3.300 -5.070 -2.216 1.00 74.33 H new ATOM 0 HA ILE A 3 2.759 -3.627 -4.570 1.00 61.14 H new ATOM 0 HB ILE A 3 3.340 -6.576 -4.194 1.00 32.12 H new ATOM 0 HG12 ILE A 3 5.665 -5.862 -5.081 1.00 65.02 H new ATOM 0 HG13 ILE A 3 5.193 -4.223 -4.678 1.00 65.02 H new ATOM 0 HG21 ILE A 3 4.052 -6.499 -6.592 1.00 52.13 H new ATOM 0 HG22 ILE A 3 2.328 -6.105 -6.391 1.00 52.13 H new ATOM 0 HG23 ILE A 3 3.510 -4.806 -6.675 1.00 52.13 H new ATOM 0 HD11 ILE A 3 6.563 -5.202 -2.904 1.00 41.11 H new ATOM 0 HD12 ILE A 3 4.919 -4.871 -2.308 1.00 41.11 H new ATOM 0 HD13 ILE A 3 5.399 -6.535 -2.717 1.00 41.11 H new ATOM 56 N ASN A 4 0.509 -5.751 -3.463 1.00 35.52 N ATOM 57 CA ASN A 4 -0.858 -6.213 -3.673 1.00 74.01 C ATOM 58 C ASN A 4 -1.820 -5.038 -3.534 1.00 44.42 C ATOM 59 O ASN A 4 -2.867 -4.985 -4.182 1.00 12.12 O ATOM 60 CB ASN A 4 -1.260 -7.329 -2.703 1.00 52.11 C ATOM 61 CG ASN A 4 -2.579 -7.994 -3.107 1.00 32.24 C ATOM 62 OD1 ASN A 4 -3.390 -8.369 -2.261 1.00 11.33 O ATOM 63 ND2 ASN A 4 -2.773 -8.206 -4.395 1.00 11.03 N ATOM 0 H ASN A 4 0.935 -6.048 -2.585 1.00 35.52 H new ATOM 0 HA ASN A 4 -0.909 -6.629 -4.679 1.00 74.01 H new ATOM 0 HB2 ASN A 4 -0.471 -8.080 -2.668 1.00 52.11 H new ATOM 0 HB3 ASN A 4 -1.354 -6.919 -1.698 1.00 52.11 H new ATOM 0 HD21 ASN A 4 -3.612 -8.692 -4.711 1.00 11.03 H new ATOM 0 HD22 ASN A 4 -2.084 -7.884 -5.074 1.00 11.03 H new ATOM 70 N THR A 5 -1.445 -4.078 -2.719 1.00 52.34 N ATOM 71 CA THR A 5 -2.228 -2.882 -2.559 1.00 24.43 C ATOM 72 C THR A 5 -2.130 -2.056 -3.845 1.00 51.33 C ATOM 73 O THR A 5 -3.108 -1.471 -4.299 1.00 14.20 O ATOM 74 CB THR A 5 -1.705 -2.059 -1.386 1.00 24.32 C ATOM 75 OG1 THR A 5 -1.545 -2.918 -0.240 1.00 21.23 O ATOM 76 CG2 THR A 5 -2.668 -0.928 -1.036 1.00 24.23 C ATOM 0 H THR A 5 -0.596 -4.107 -2.155 1.00 52.34 H new ATOM 0 HA THR A 5 -3.265 -3.152 -2.361 1.00 24.43 H new ATOM 0 HB THR A 5 -0.748 -1.621 -1.670 1.00 24.32 H new ATOM 0 HG1 THR A 5 -1.207 -2.395 0.517 1.00 21.23 H new ATOM 0 HG21 THR A 5 -2.270 -0.358 -0.197 1.00 24.23 H new ATOM 0 HG22 THR A 5 -2.786 -0.271 -1.898 1.00 24.23 H new ATOM 0 HG23 THR A 5 -3.637 -1.346 -0.763 1.00 24.23 H new ATOM 84 N ILE A 6 -0.957 -2.077 -4.464 1.00 51.02 N ATOM 85 CA ILE A 6 -0.739 -1.372 -5.719 1.00 51.14 C ATOM 86 C ILE A 6 -1.539 -2.047 -6.819 1.00 72.42 C ATOM 87 O ILE A 6 -2.086 -1.388 -7.719 1.00 31.24 O ATOM 88 CB ILE A 6 0.767 -1.298 -6.106 1.00 22.24 C ATOM 89 CG1 ILE A 6 1.576 -0.712 -4.953 1.00 21.34 C ATOM 90 CG2 ILE A 6 0.967 -0.455 -7.358 1.00 63.13 C ATOM 91 CD1 ILE A 6 1.010 0.574 -4.404 1.00 24.42 C ATOM 0 H ILE A 6 -0.139 -2.577 -4.115 1.00 51.02 H new ATOM 0 HA ILE A 6 -1.078 -0.344 -5.590 1.00 51.14 H new ATOM 0 HB ILE A 6 1.115 -2.310 -6.313 1.00 22.24 H new ATOM 0 HG12 ILE A 6 1.630 -1.446 -4.149 1.00 21.34 H new ATOM 0 HG13 ILE A 6 2.597 -0.534 -5.291 1.00 21.34 H new ATOM 0 HG21 ILE A 6 2.028 -0.419 -7.607 1.00 63.13 H new ATOM 0 HG22 ILE A 6 0.414 -0.898 -8.187 1.00 63.13 H new ATOM 0 HG23 ILE A 6 0.602 0.556 -7.178 1.00 63.13 H new ATOM 0 HD11 ILE A 6 1.639 0.929 -3.588 1.00 24.42 H new ATOM 0 HD12 ILE A 6 0.981 1.325 -5.193 1.00 24.42 H new ATOM 0 HD13 ILE A 6 0.000 0.398 -4.034 1.00 24.42 H new ATOM 103 N LYS A 7 -1.669 -3.360 -6.710 1.00 5.54 N ATOM 104 CA LYS A 7 -2.484 -4.106 -7.633 1.00 54.35 C ATOM 105 C LYS A 7 -3.938 -3.762 -7.402 1.00 63.21 C ATOM 106 O LYS A 7 -4.722 -3.768 -8.319 1.00 24.43 O ATOM 107 CB LYS A 7 -2.262 -5.624 -7.513 1.00 40.32 C ATOM 108 CG LYS A 7 -0.837 -6.083 -7.810 1.00 2.41 C ATOM 109 CD LYS A 7 -0.379 -5.642 -9.195 1.00 34.45 C ATOM 110 CE LYS A 7 1.035 -6.116 -9.492 1.00 2.31 C ATOM 111 NZ LYS A 7 1.128 -7.582 -9.615 1.00 61.42 N ATOM 0 H LYS A 7 -1.218 -3.923 -5.989 1.00 5.54 H new ATOM 0 HA LYS A 7 -2.192 -3.826 -8.645 1.00 54.35 H new ATOM 0 HB2 LYS A 7 -2.528 -5.938 -6.504 1.00 40.32 H new ATOM 0 HB3 LYS A 7 -2.943 -6.133 -8.195 1.00 40.32 H new ATOM 0 HG2 LYS A 7 -0.160 -5.679 -7.057 1.00 2.41 H new ATOM 0 HG3 LYS A 7 -0.782 -7.169 -7.737 1.00 2.41 H new ATOM 0 HD2 LYS A 7 -1.062 -6.036 -9.948 1.00 34.45 H new ATOM 0 HD3 LYS A 7 -0.422 -4.555 -9.264 1.00 34.45 H new ATOM 0 HE2 LYS A 7 1.382 -5.655 -10.417 1.00 2.31 H new ATOM 0 HE3 LYS A 7 1.701 -5.779 -8.698 1.00 2.31 H new ATOM 0 HZ1 LYS A 7 2.072 -7.842 -9.966 1.00 61.42 H new ATOM 0 HZ2 LYS A 7 0.972 -8.019 -8.684 1.00 61.42 H new ATOM 0 HZ3 LYS A 7 0.406 -7.921 -10.282 1.00 61.42 H new ATOM 125 N SER A 8 -4.269 -3.359 -6.190 1.00 22.11 N ATOM 126 CA SER A 8 -5.641 -3.030 -5.880 1.00 5.12 C ATOM 127 C SER A 8 -5.971 -1.642 -6.408 1.00 22.52 C ATOM 128 O SER A 8 -7.118 -1.342 -6.734 1.00 72.21 O ATOM 129 CB SER A 8 -5.894 -3.159 -4.381 1.00 14.23 C ATOM 130 OG SER A 8 -5.601 -4.492 -3.953 1.00 65.32 O ATOM 0 H SER A 8 -3.614 -3.253 -5.415 1.00 22.11 H new ATOM 0 HA SER A 8 -6.308 -3.736 -6.375 1.00 5.12 H new ATOM 0 HB2 SER A 8 -5.274 -2.448 -3.836 1.00 14.23 H new ATOM 0 HB3 SER A 8 -6.932 -2.915 -4.156 1.00 14.23 H new ATOM 0 HG SER A 8 -4.635 -4.648 -4.008 1.00 65.32 H new ATOM 136 N LEU A 9 -4.943 -0.817 -6.537 1.00 34.11 N ATOM 137 CA LEU A 9 -5.096 0.501 -7.106 1.00 40.52 C ATOM 138 C LEU A 9 -5.446 0.370 -8.564 1.00 3.51 C ATOM 139 O LEU A 9 -6.336 1.028 -9.042 1.00 21.32 O ATOM 140 CB LEU A 9 -3.817 1.328 -6.955 1.00 61.22 C ATOM 141 CG LEU A 9 -3.316 1.544 -5.534 1.00 63.50 C ATOM 142 CD1 LEU A 9 -2.074 2.413 -5.539 1.00 74.44 C ATOM 143 CD2 LEU A 9 -4.403 2.158 -4.674 1.00 3.52 C ATOM 0 H LEU A 9 -3.991 -1.045 -6.251 1.00 34.11 H new ATOM 0 HA LEU A 9 -5.893 1.018 -6.571 1.00 40.52 H new ATOM 0 HB2 LEU A 9 -3.026 0.842 -7.526 1.00 61.22 H new ATOM 0 HB3 LEU A 9 -3.985 2.304 -7.410 1.00 61.22 H new ATOM 0 HG LEU A 9 -3.054 0.576 -5.106 1.00 63.50 H new ATOM 0 HD11 LEU A 9 -1.728 2.559 -4.516 1.00 74.44 H new ATOM 0 HD12 LEU A 9 -1.292 1.926 -6.121 1.00 74.44 H new ATOM 0 HD13 LEU A 9 -2.308 3.380 -5.984 1.00 74.44 H new ATOM 0 HD21 LEU A 9 -4.026 2.305 -3.662 1.00 3.52 H new ATOM 0 HD22 LEU A 9 -4.700 3.119 -5.094 1.00 3.52 H new ATOM 0 HD23 LEU A 9 -5.265 1.492 -4.647 1.00 3.52 H new ATOM 155 N ARG A 10 -4.751 -0.516 -9.241 1.00 35.32 N ATOM 156 CA ARG A 10 -4.990 -0.765 -10.663 1.00 41.12 C ATOM 157 C ARG A 10 -6.238 -1.605 -10.905 1.00 12.44 C ATOM 158 O ARG A 10 -7.208 -1.127 -11.482 1.00 11.35 O ATOM 159 CB ARG A 10 -3.773 -1.413 -11.359 1.00 4.45 C ATOM 160 CG ARG A 10 -2.674 -0.442 -11.791 1.00 1.34 C ATOM 161 CD ARG A 10 -2.032 0.282 -10.656 1.00 15.12 C ATOM 162 NE ARG A 10 -1.033 1.183 -11.175 1.00 51.22 N ATOM 163 CZ ARG A 10 -0.348 2.058 -10.476 1.00 71.22 C ATOM 164 NH1 ARG A 10 -0.502 2.153 -9.151 1.00 31.31 N ATOM 165 NH2 ARG A 10 0.486 2.842 -11.091 1.00 3.41 N ATOM 0 H ARG A 10 -4.008 -1.085 -8.835 1.00 35.32 H new ATOM 0 HA ARG A 10 -5.152 0.217 -11.107 1.00 41.12 H new ATOM 0 HB2 ARG A 10 -3.339 -2.150 -10.683 1.00 4.45 H new ATOM 0 HB3 ARG A 10 -4.123 -1.954 -12.238 1.00 4.45 H new ATOM 0 HG2 ARG A 10 -1.909 -0.993 -12.338 1.00 1.34 H new ATOM 0 HG3 ARG A 10 -3.097 0.287 -12.482 1.00 1.34 H new ATOM 0 HD2 ARG A 10 -2.782 0.837 -10.092 1.00 15.12 H new ATOM 0 HD3 ARG A 10 -1.576 -0.429 -9.967 1.00 15.12 H new ATOM 0 HE ARG A 10 -0.841 1.136 -12.176 1.00 51.22 H new ATOM 0 HH11 ARG A 10 -1.159 1.540 -8.669 1.00 31.31 H new ATOM 0 HH12 ARG A 10 0.038 2.838 -8.623 1.00 31.31 H new ATOM 0 HH21 ARG A 10 0.601 2.772 -12.102 1.00 3.41 H new ATOM 0 HH22 ARG A 10 1.026 3.527 -10.563 1.00 3.41 H new ATOM 179 N VAL A 11 -6.231 -2.830 -10.403 1.00 54.24 N ATOM 180 CA VAL A 11 -7.298 -3.801 -10.651 1.00 50.02 C ATOM 181 C VAL A 11 -8.681 -3.269 -10.259 1.00 43.31 C ATOM 182 O VAL A 11 -9.656 -3.467 -10.981 1.00 23.02 O ATOM 183 CB VAL A 11 -6.999 -5.174 -9.957 1.00 54.23 C ATOM 184 CG1 VAL A 11 -8.151 -6.157 -10.116 1.00 14.44 C ATOM 185 CG2 VAL A 11 -5.725 -5.785 -10.530 1.00 33.55 C ATOM 0 H VAL A 11 -5.483 -3.186 -9.808 1.00 54.24 H new ATOM 0 HA VAL A 11 -7.320 -3.968 -11.728 1.00 50.02 H new ATOM 0 HB VAL A 11 -6.870 -4.978 -8.893 1.00 54.23 H new ATOM 0 HG11 VAL A 11 -7.900 -7.095 -9.620 1.00 14.44 H new ATOM 0 HG12 VAL A 11 -9.051 -5.738 -9.667 1.00 14.44 H new ATOM 0 HG13 VAL A 11 -8.327 -6.343 -11.175 1.00 14.44 H new ATOM 0 HG21 VAL A 11 -5.527 -6.739 -10.041 1.00 33.55 H new ATOM 0 HG22 VAL A 11 -5.848 -5.945 -11.601 1.00 33.55 H new ATOM 0 HG23 VAL A 11 -4.888 -5.108 -10.358 1.00 33.55 H new ATOM 195 N LEU A 12 -8.765 -2.529 -9.176 1.00 13.34 N ATOM 196 CA LEU A 12 -10.060 -2.024 -8.748 1.00 55.15 C ATOM 197 C LEU A 12 -10.433 -0.749 -9.480 1.00 0.43 C ATOM 198 O LEU A 12 -11.607 -0.381 -9.578 1.00 14.44 O ATOM 199 CB LEU A 12 -10.134 -1.880 -7.239 1.00 63.40 C ATOM 200 CG LEU A 12 -9.904 -3.166 -6.441 1.00 21.23 C ATOM 201 CD1 LEU A 12 -9.877 -2.873 -4.948 1.00 42.44 C ATOM 202 CD2 LEU A 12 -10.970 -4.210 -6.761 1.00 1.52 C ATOM 0 H LEU A 12 -7.976 -2.266 -8.585 1.00 13.34 H new ATOM 0 HA LEU A 12 -10.811 -2.765 -9.022 1.00 55.15 H new ATOM 0 HB2 LEU A 12 -9.396 -1.142 -6.926 1.00 63.40 H new ATOM 0 HB3 LEU A 12 -11.114 -1.481 -6.977 1.00 63.40 H new ATOM 0 HG LEU A 12 -8.935 -3.572 -6.733 1.00 21.23 H new ATOM 0 HD11 LEU A 12 -9.712 -3.800 -4.398 1.00 42.44 H new ATOM 0 HD12 LEU A 12 -9.071 -2.173 -4.729 1.00 42.44 H new ATOM 0 HD13 LEU A 12 -10.829 -2.436 -4.646 1.00 42.44 H new ATOM 0 HD21 LEU A 12 -10.781 -5.113 -6.180 1.00 1.52 H new ATOM 0 HD22 LEU A 12 -11.954 -3.815 -6.508 1.00 1.52 H new ATOM 0 HD23 LEU A 12 -10.937 -4.449 -7.824 1.00 1.52 H new ATOM 214 N ARG A 13 -9.451 -0.130 -10.057 1.00 61.31 N ATOM 215 CA ARG A 13 -9.667 1.060 -10.870 1.00 51.14 C ATOM 216 C ARG A 13 -10.021 0.605 -12.281 1.00 24.03 C ATOM 217 O ARG A 13 -10.335 1.402 -13.166 1.00 74.15 O ATOM 218 CB ARG A 13 -8.421 1.953 -10.871 1.00 70.03 C ATOM 219 CG ARG A 13 -8.585 3.331 -11.503 1.00 5.40 C ATOM 220 CD ARG A 13 -9.706 4.124 -10.851 1.00 54.32 C ATOM 221 NE ARG A 13 -9.541 4.256 -9.402 1.00 23.03 N ATOM 222 CZ ARG A 13 -10.510 4.628 -8.555 1.00 72.30 C ATOM 223 NH1 ARG A 13 -11.703 4.987 -9.019 1.00 61.10 N ATOM 224 NH2 ARG A 13 -10.279 4.655 -7.254 1.00 71.02 N ATOM 0 H ARG A 13 -8.476 -0.421 -9.988 1.00 61.31 H new ATOM 0 HA ARG A 13 -10.482 1.655 -10.458 1.00 51.14 H new ATOM 0 HB2 ARG A 13 -8.092 2.085 -9.840 1.00 70.03 H new ATOM 0 HB3 ARG A 13 -7.623 1.428 -11.395 1.00 70.03 H new ATOM 0 HG2 ARG A 13 -7.650 3.884 -11.415 1.00 5.40 H new ATOM 0 HG3 ARG A 13 -8.791 3.220 -12.568 1.00 5.40 H new ATOM 0 HD2 ARG A 13 -9.750 5.117 -11.299 1.00 54.32 H new ATOM 0 HD3 ARG A 13 -10.658 3.637 -11.061 1.00 54.32 H new ATOM 0 HE ARG A 13 -8.622 4.050 -9.009 1.00 23.03 H new ATOM 0 HH11 ARG A 13 -11.883 4.980 -10.023 1.00 61.10 H new ATOM 0 HH12 ARG A 13 -12.438 5.270 -8.371 1.00 61.10 H new ATOM 0 HH21 ARG A 13 -9.362 4.392 -6.893 1.00 71.02 H new ATOM 0 HH22 ARG A 13 -11.018 4.939 -6.611 1.00 71.02 H new ATOM 238 N VAL A 14 -9.951 -0.687 -12.480 1.00 73.13 N ATOM 239 CA VAL A 14 -10.370 -1.285 -13.714 1.00 32.24 C ATOM 240 C VAL A 14 -11.744 -1.930 -13.518 1.00 52.00 C ATOM 241 O VAL A 14 -12.731 -1.508 -14.106 1.00 14.54 O ATOM 242 CB VAL A 14 -9.345 -2.350 -14.225 1.00 61.10 C ATOM 243 CG1 VAL A 14 -9.843 -3.039 -15.489 1.00 2.53 C ATOM 244 CG2 VAL A 14 -7.993 -1.706 -14.496 1.00 65.42 C ATOM 0 H VAL A 14 -9.601 -1.351 -11.789 1.00 73.13 H new ATOM 0 HA VAL A 14 -10.427 -0.502 -14.470 1.00 32.24 H new ATOM 0 HB VAL A 14 -9.237 -3.100 -13.441 1.00 61.10 H new ATOM 0 HG11 VAL A 14 -9.107 -3.773 -15.817 1.00 2.53 H new ATOM 0 HG12 VAL A 14 -10.788 -3.541 -15.282 1.00 2.53 H new ATOM 0 HG13 VAL A 14 -9.991 -2.297 -16.274 1.00 2.53 H new ATOM 0 HG21 VAL A 14 -7.294 -2.463 -14.851 1.00 65.42 H new ATOM 0 HG22 VAL A 14 -8.104 -0.931 -15.255 1.00 65.42 H new ATOM 0 HG23 VAL A 14 -7.611 -1.261 -13.577 1.00 65.42 H new ATOM 254 N LEU A 15 -11.814 -2.875 -12.605 1.00 52.53 N ATOM 255 CA LEU A 15 -13.009 -3.689 -12.416 1.00 1.03 C ATOM 256 C LEU A 15 -14.186 -2.950 -11.777 1.00 53.13 C ATOM 257 O LEU A 15 -15.306 -3.432 -11.828 1.00 3.31 O ATOM 258 CB LEU A 15 -12.691 -4.968 -11.639 1.00 45.31 C ATOM 259 CG LEU A 15 -11.578 -5.858 -12.214 1.00 13.21 C ATOM 260 CD1 LEU A 15 -11.413 -7.114 -11.376 1.00 72.33 C ATOM 261 CD2 LEU A 15 -11.837 -6.216 -13.673 1.00 31.22 C ATOM 0 H LEU A 15 -11.049 -3.105 -11.971 1.00 52.53 H new ATOM 0 HA LEU A 15 -13.335 -3.949 -13.423 1.00 1.03 H new ATOM 0 HB2 LEU A 15 -12.415 -4.690 -10.622 1.00 45.31 H new ATOM 0 HB3 LEU A 15 -13.602 -5.562 -11.571 1.00 45.31 H new ATOM 0 HG LEU A 15 -10.650 -5.288 -12.177 1.00 13.21 H new ATOM 0 HD11 LEU A 15 -10.621 -7.732 -11.798 1.00 72.33 H new ATOM 0 HD12 LEU A 15 -11.152 -6.838 -10.354 1.00 72.33 H new ATOM 0 HD13 LEU A 15 -12.348 -7.675 -11.373 1.00 72.33 H new ATOM 0 HD21 LEU A 15 -11.028 -6.846 -14.042 1.00 31.22 H new ATOM 0 HD22 LEU A 15 -12.781 -6.754 -13.753 1.00 31.22 H new ATOM 0 HD23 LEU A 15 -11.887 -5.304 -14.268 1.00 31.22 H new ATOM 273 N ARG A 16 -13.952 -1.821 -11.161 1.00 23.41 N ATOM 274 CA ARG A 16 -15.074 -1.064 -10.599 1.00 44.34 C ATOM 275 C ARG A 16 -15.678 -0.044 -11.592 1.00 21.22 C ATOM 276 O ARG A 16 -16.861 -0.154 -11.925 1.00 70.10 O ATOM 277 CB ARG A 16 -14.753 -0.412 -9.242 1.00 32.03 C ATOM 278 CG ARG A 16 -14.443 -1.400 -8.134 1.00 24.40 C ATOM 279 CD ARG A 16 -15.604 -2.301 -7.846 1.00 70.00 C ATOM 280 NE ARG A 16 -15.297 -3.144 -6.717 1.00 73.05 N ATOM 281 CZ ARG A 16 -15.871 -4.303 -6.456 1.00 70.21 C ATOM 282 NH1 ARG A 16 -16.892 -4.746 -7.198 1.00 10.40 N ATOM 283 NH2 ARG A 16 -15.461 -5.002 -5.433 1.00 70.14 N ATOM 0 H ARG A 16 -13.031 -1.403 -11.030 1.00 23.41 H new ATOM 0 HA ARG A 16 -15.844 -1.812 -10.409 1.00 44.34 H new ATOM 0 HB2 ARG A 16 -13.901 0.257 -9.366 1.00 32.03 H new ATOM 0 HB3 ARG A 16 -15.600 0.203 -8.938 1.00 32.03 H new ATOM 0 HG2 ARG A 16 -13.578 -2.001 -8.416 1.00 24.40 H new ATOM 0 HG3 ARG A 16 -14.172 -0.857 -7.229 1.00 24.40 H new ATOM 0 HD2 ARG A 16 -16.494 -1.708 -7.638 1.00 70.00 H new ATOM 0 HD3 ARG A 16 -15.827 -2.914 -8.720 1.00 70.00 H new ATOM 0 HE ARG A 16 -14.580 -2.819 -6.069 1.00 73.05 H new ATOM 0 HH11 ARG A 16 -17.237 -4.186 -7.978 1.00 10.40 H new ATOM 0 HH12 ARG A 16 -17.326 -5.644 -6.984 1.00 10.40 H new ATOM 0 HH21 ARG A 16 -14.705 -4.651 -4.845 1.00 70.14 H new ATOM 0 HH22 ARG A 16 -15.897 -5.899 -5.221 1.00 70.14 H new ATOM 297 N PRO A 17 -14.879 0.921 -12.152 1.00 32.13 N ATOM 298 CA PRO A 17 -15.417 1.980 -13.009 1.00 10.51 C ATOM 299 C PRO A 17 -15.840 1.442 -14.356 1.00 30.30 C ATOM 300 O PRO A 17 -16.762 1.972 -14.991 1.00 64.44 O ATOM 301 CB PRO A 17 -14.248 2.973 -13.166 1.00 10.40 C ATOM 302 CG PRO A 17 -13.230 2.519 -12.181 1.00 62.23 C ATOM 303 CD PRO A 17 -13.431 1.043 -12.064 1.00 34.53 C ATOM 0 HA PRO A 17 -16.308 2.438 -12.579 1.00 10.51 H new ATOM 0 HB2 PRO A 17 -13.851 2.959 -14.181 1.00 10.40 H new ATOM 0 HB3 PRO A 17 -14.567 3.995 -12.963 1.00 10.40 H new ATOM 0 HG2 PRO A 17 -12.221 2.754 -12.521 1.00 62.23 H new ATOM 0 HG3 PRO A 17 -13.365 3.013 -11.219 1.00 62.23 H new ATOM 0 HD2 PRO A 17 -12.927 0.499 -12.863 1.00 34.53 H new ATOM 0 HD3 PRO A 17 -13.046 0.653 -11.122 1.00 34.53 H new ATOM 311 N LEU A 18 -15.225 0.339 -14.780 1.00 61.23 N ATOM 312 CA LEU A 18 -15.586 -0.215 -16.033 1.00 74.24 C ATOM 313 C LEU A 18 -16.854 -0.923 -15.919 1.00 53.51 C ATOM 314 O LEU A 18 -17.562 -1.008 -16.852 1.00 5.14 O ATOM 315 CB LEU A 18 -14.591 -1.143 -16.594 1.00 45.11 C ATOM 316 CG LEU A 18 -13.266 -0.548 -17.055 1.00 3.14 C ATOM 317 CD1 LEU A 18 -12.434 -1.622 -17.685 1.00 4.12 C ATOM 318 CD2 LEU A 18 -13.474 0.600 -18.031 1.00 41.04 C ATOM 0 H LEU A 18 -14.495 -0.160 -14.271 1.00 61.23 H new ATOM 0 HA LEU A 18 -15.657 0.634 -16.713 1.00 74.24 H new ATOM 0 HB2 LEU A 18 -14.377 -1.903 -15.843 1.00 45.11 H new ATOM 0 HB3 LEU A 18 -15.046 -1.653 -17.443 1.00 45.11 H new ATOM 0 HG LEU A 18 -12.750 -0.144 -16.184 1.00 3.14 H new ATOM 0 HD11 LEU A 18 -11.485 -1.200 -18.016 1.00 4.12 H new ATOM 0 HD12 LEU A 18 -12.246 -2.411 -16.957 1.00 4.12 H new ATOM 0 HD13 LEU A 18 -12.965 -2.038 -18.541 1.00 4.12 H new ATOM 0 HD21 LEU A 18 -12.506 0.998 -18.337 1.00 41.04 H new ATOM 0 HD22 LEU A 18 -14.011 0.239 -18.908 1.00 41.04 H new ATOM 0 HD23 LEU A 18 -14.054 1.387 -17.549 1.00 41.04 H new ATOM 330 N LYS A 19 -17.144 -1.434 -14.752 1.00 51.25 N ATOM 331 CA LYS A 19 -18.413 -2.079 -14.534 1.00 12.31 C ATOM 332 C LYS A 19 -19.481 -1.099 -14.458 1.00 53.14 C ATOM 333 O LYS A 19 -20.582 -1.367 -14.863 1.00 12.50 O ATOM 334 CB LYS A 19 -18.423 -3.033 -13.359 1.00 64.34 C ATOM 335 CG LYS A 19 -18.089 -4.458 -13.733 1.00 55.25 C ATOM 336 CD LYS A 19 -16.713 -4.622 -14.321 1.00 72.33 C ATOM 337 CE LYS A 19 -16.515 -6.061 -14.760 1.00 45.01 C ATOM 338 NZ LYS A 19 -15.132 -6.351 -15.170 1.00 2.31 N ATOM 0 H LYS A 19 -16.524 -1.417 -13.942 1.00 51.25 H new ATOM 0 HA LYS A 19 -18.591 -2.712 -15.404 1.00 12.31 H new ATOM 0 HB2 LYS A 19 -17.708 -2.685 -12.613 1.00 64.34 H new ATOM 0 HB3 LYS A 19 -19.408 -3.010 -12.892 1.00 64.34 H new ATOM 0 HG2 LYS A 19 -18.173 -5.086 -12.846 1.00 55.25 H new ATOM 0 HG3 LYS A 19 -18.826 -4.819 -14.450 1.00 55.25 H new ATOM 0 HD2 LYS A 19 -16.588 -3.951 -15.171 1.00 72.33 H new ATOM 0 HD3 LYS A 19 -15.957 -4.348 -13.585 1.00 72.33 H new ATOM 0 HE2 LYS A 19 -16.793 -6.726 -13.942 1.00 45.01 H new ATOM 0 HE3 LYS A 19 -17.187 -6.278 -15.590 1.00 45.01 H new ATOM 0 HZ1 LYS A 19 -14.913 -7.348 -14.972 1.00 2.31 H new ATOM 0 HZ2 LYS A 19 -15.026 -6.169 -16.188 1.00 2.31 H new ATOM 0 HZ3 LYS A 19 -14.478 -5.741 -14.639 1.00 2.31 H new ATOM 352 N THR A 20 -19.134 0.057 -14.025 1.00 71.34 N ATOM 353 CA THR A 20 -20.069 1.107 -13.944 1.00 24.04 C ATOM 354 C THR A 20 -20.549 1.502 -15.370 1.00 51.44 C ATOM 355 O THR A 20 -21.737 1.741 -15.594 1.00 55.31 O ATOM 356 CB THR A 20 -19.462 2.299 -13.223 1.00 72.23 C ATOM 357 OG1 THR A 20 -18.836 1.842 -12.002 1.00 62.31 O ATOM 358 CG2 THR A 20 -20.557 3.234 -12.874 1.00 55.32 C ATOM 0 H THR A 20 -18.192 0.298 -13.717 1.00 71.34 H new ATOM 0 HA THR A 20 -20.934 0.772 -13.371 1.00 24.04 H new ATOM 0 HB THR A 20 -18.723 2.790 -13.857 1.00 72.23 H new ATOM 0 HG1 THR A 20 -18.075 1.264 -12.221 1.00 62.31 H new ATOM 0 HG21 THR A 20 -20.145 4.099 -12.355 1.00 55.32 H new ATOM 0 HG22 THR A 20 -21.059 3.562 -13.784 1.00 55.32 H new ATOM 0 HG23 THR A 20 -21.274 2.729 -12.226 1.00 55.32 H new ATOM 366 N ILE A 21 -19.630 1.516 -16.327 1.00 23.40 N ATOM 367 CA ILE A 21 -19.997 1.826 -17.702 1.00 12.11 C ATOM 368 C ILE A 21 -20.465 0.589 -18.466 1.00 52.13 C ATOM 369 O ILE A 21 -21.424 0.657 -19.243 1.00 0.15 O ATOM 370 CB ILE A 21 -18.888 2.562 -18.484 1.00 42.34 C ATOM 371 CG1 ILE A 21 -17.598 1.745 -18.482 1.00 33.22 C ATOM 372 CG2 ILE A 21 -18.661 3.947 -17.891 1.00 35.41 C ATOM 373 CD1 ILE A 21 -16.519 2.282 -19.363 1.00 41.41 C ATOM 0 H ILE A 21 -18.640 1.320 -16.180 1.00 23.40 H new ATOM 0 HA ILE A 21 -20.837 2.516 -17.623 1.00 12.11 H new ATOM 0 HB ILE A 21 -19.206 2.681 -19.520 1.00 42.34 H new ATOM 0 HG12 ILE A 21 -17.221 1.689 -17.461 1.00 33.22 H new ATOM 0 HG13 ILE A 21 -17.829 0.726 -18.793 1.00 33.22 H new ATOM 0 HG21 ILE A 21 -17.877 4.458 -18.450 1.00 35.41 H new ATOM 0 HG22 ILE A 21 -19.584 4.524 -17.951 1.00 35.41 H new ATOM 0 HG23 ILE A 21 -18.360 3.851 -16.848 1.00 35.41 H new ATOM 0 HD11 ILE A 21 -15.642 1.638 -19.298 1.00 41.41 H new ATOM 0 HD12 ILE A 21 -16.872 2.311 -20.394 1.00 41.41 H new ATOM 0 HD13 ILE A 21 -16.254 3.289 -19.041 1.00 41.41 H new ATOM 385 N LYS A 22 -19.784 -0.528 -18.256 1.00 0.35 N ATOM 386 CA LYS A 22 -20.158 -1.813 -18.861 1.00 60.21 C ATOM 387 C LYS A 22 -21.573 -2.275 -18.524 1.00 33.55 C ATOM 388 O LYS A 22 -22.106 -3.106 -19.228 1.00 62.10 O ATOM 389 CB LYS A 22 -19.144 -2.926 -18.572 1.00 5.31 C ATOM 390 CG LYS A 22 -18.190 -3.229 -19.726 1.00 3.41 C ATOM 391 CD LYS A 22 -17.335 -2.039 -20.144 1.00 60.01 C ATOM 392 CE LYS A 22 -16.500 -2.397 -21.370 1.00 63.14 C ATOM 393 NZ LYS A 22 -15.654 -1.276 -21.846 1.00 60.12 N ATOM 0 H LYS A 22 -18.956 -0.577 -17.663 1.00 0.35 H new ATOM 0 HA LYS A 22 -20.144 -1.612 -19.932 1.00 60.21 H new ATOM 0 HB2 LYS A 22 -18.558 -2.648 -17.696 1.00 5.31 H new ATOM 0 HB3 LYS A 22 -19.686 -3.837 -18.317 1.00 5.31 H new ATOM 0 HG2 LYS A 22 -17.536 -4.052 -19.438 1.00 3.41 H new ATOM 0 HG3 LYS A 22 -18.769 -3.568 -20.585 1.00 3.41 H new ATOM 0 HD2 LYS A 22 -17.973 -1.183 -20.366 1.00 60.01 H new ATOM 0 HD3 LYS A 22 -16.681 -1.745 -19.323 1.00 60.01 H new ATOM 0 HE2 LYS A 22 -15.863 -3.249 -21.132 1.00 63.14 H new ATOM 0 HE3 LYS A 22 -17.164 -2.710 -22.175 1.00 63.14 H new ATOM 0 HZ1 LYS A 22 -15.111 -1.580 -22.680 1.00 60.12 H new ATOM 0 HZ2 LYS A 22 -16.258 -0.469 -22.102 1.00 60.12 H new ATOM 0 HZ3 LYS A 22 -14.998 -0.991 -21.091 1.00 60.12 H new ATOM 407 N ARG A 23 -22.183 -1.722 -17.464 1.00 12.13 N ATOM 408 CA ARG A 23 -23.586 -2.026 -17.112 1.00 24.23 C ATOM 409 C ARG A 23 -24.532 -1.808 -18.292 1.00 33.23 C ATOM 410 O ARG A 23 -25.551 -2.490 -18.412 1.00 44.33 O ATOM 411 CB ARG A 23 -24.056 -1.192 -15.914 1.00 70.34 C ATOM 412 CG ARG A 23 -23.462 -1.627 -14.594 1.00 3.55 C ATOM 413 CD ARG A 23 -23.836 -0.693 -13.453 1.00 1.31 C ATOM 414 NE ARG A 23 -23.271 -1.155 -12.175 1.00 44.34 N ATOM 415 CZ ARG A 23 -23.287 -0.480 -11.014 1.00 52.05 C ATOM 416 NH1 ARG A 23 -23.756 0.772 -10.950 1.00 3.22 N ATOM 417 NH2 ARG A 23 -22.798 -1.057 -9.926 1.00 15.11 N ATOM 0 H ARG A 23 -21.729 -1.061 -16.833 1.00 12.13 H new ATOM 0 HA ARG A 23 -23.614 -3.081 -16.841 1.00 24.23 H new ATOM 0 HB2 ARG A 23 -23.801 -0.147 -16.089 1.00 70.34 H new ATOM 0 HB3 ARG A 23 -25.143 -1.248 -15.848 1.00 70.34 H new ATOM 0 HG2 ARG A 23 -23.803 -2.636 -14.360 1.00 3.55 H new ATOM 0 HG3 ARG A 23 -22.377 -1.670 -14.684 1.00 3.55 H new ATOM 0 HD2 ARG A 23 -23.475 0.312 -13.670 1.00 1.31 H new ATOM 0 HD3 ARG A 23 -24.921 -0.631 -13.372 1.00 1.31 H new ATOM 0 HE ARG A 23 -22.826 -2.073 -12.171 1.00 44.34 H new ATOM 0 HH11 ARG A 23 -24.109 1.228 -11.791 1.00 3.22 H new ATOM 0 HH12 ARG A 23 -23.761 1.270 -10.060 1.00 3.22 H new ATOM 0 HH21 ARG A 23 -22.416 -2.001 -9.977 1.00 15.11 H new ATOM 0 HH22 ARG A 23 -22.803 -0.557 -9.037 1.00 15.11 H new ATOM 431 N LEU A 24 -24.173 -0.899 -19.173 1.00 63.21 N ATOM 432 CA LEU A 24 -24.995 -0.592 -20.314 1.00 51.44 C ATOM 433 C LEU A 24 -24.863 -1.649 -21.462 1.00 11.24 C ATOM 434 O LEU A 24 -25.857 -2.295 -21.796 1.00 42.41 O ATOM 435 CB LEU A 24 -24.745 0.849 -20.804 1.00 13.44 C ATOM 436 CG LEU A 24 -24.942 1.951 -19.762 1.00 72.31 C ATOM 437 CD1 LEU A 24 -24.493 3.287 -20.323 1.00 53.24 C ATOM 438 CD2 LEU A 24 -26.399 2.021 -19.315 1.00 62.12 C ATOM 0 H LEU A 24 -23.310 -0.358 -19.116 1.00 63.21 H new ATOM 0 HA LEU A 24 -26.033 -0.650 -19.986 1.00 51.44 H new ATOM 0 HB2 LEU A 24 -23.725 0.912 -21.183 1.00 13.44 H new ATOM 0 HB3 LEU A 24 -25.410 1.047 -21.645 1.00 13.44 H new ATOM 0 HG LEU A 24 -24.332 1.714 -18.890 1.00 72.31 H new ATOM 0 HD11 LEU A 24 -24.638 4.064 -19.572 1.00 53.24 H new ATOM 0 HD12 LEU A 24 -23.438 3.233 -20.590 1.00 53.24 H new ATOM 0 HD13 LEU A 24 -25.080 3.525 -21.210 1.00 53.24 H new ATOM 0 HD21 LEU A 24 -26.515 2.812 -18.574 1.00 62.12 H new ATOM 0 HD22 LEU A 24 -27.034 2.234 -20.175 1.00 62.12 H new ATOM 0 HD23 LEU A 24 -26.691 1.067 -18.876 1.00 62.12 H new ATOM 450 N PRO A 25 -23.657 -1.884 -22.080 1.00 15.14 N ATOM 451 CA PRO A 25 -23.541 -2.808 -23.209 1.00 23.51 C ATOM 452 C PRO A 25 -23.134 -4.236 -22.833 1.00 43.15 C ATOM 453 O PRO A 25 -22.764 -5.037 -23.715 1.00 10.15 O ATOM 454 CB PRO A 25 -22.459 -2.151 -24.038 1.00 53.43 C ATOM 455 CG PRO A 25 -21.508 -1.616 -23.012 1.00 62.22 C ATOM 456 CD PRO A 25 -22.339 -1.268 -21.795 1.00 33.34 C ATOM 0 HA PRO A 25 -24.500 -2.950 -23.708 1.00 23.51 H new ATOM 0 HB2 PRO A 25 -21.973 -2.866 -24.702 1.00 53.43 H new ATOM 0 HB3 PRO A 25 -22.861 -1.356 -24.665 1.00 53.43 H new ATOM 0 HG2 PRO A 25 -20.748 -2.357 -22.764 1.00 62.22 H new ATOM 0 HG3 PRO A 25 -20.985 -0.737 -23.389 1.00 62.22 H new ATOM 0 HD2 PRO A 25 -21.899 -1.669 -20.882 1.00 33.34 H new ATOM 0 HD3 PRO A 25 -22.422 -0.189 -21.662 1.00 33.34 H new ATOM 464 N LYS A 26 -23.203 -4.554 -21.567 1.00 44.52 N ATOM 465 CA LYS A 26 -22.852 -5.895 -21.095 1.00 72.21 C ATOM 466 C LYS A 26 -23.814 -6.934 -21.634 1.00 13.31 C ATOM 467 O LYS A 26 -24.966 -6.631 -21.959 1.00 22.51 O ATOM 468 CB LYS A 26 -22.804 -5.988 -19.566 1.00 73.23 C ATOM 469 CG LYS A 26 -24.113 -5.667 -18.866 1.00 1.33 C ATOM 470 CD LYS A 26 -23.970 -5.819 -17.367 1.00 75.24 C ATOM 471 CE LYS A 26 -25.263 -5.486 -16.645 1.00 53.42 C ATOM 472 NZ LYS A 26 -26.381 -6.353 -17.070 1.00 23.11 N ATOM 0 H LYS A 26 -23.498 -3.911 -20.832 1.00 44.52 H new ATOM 0 HA LYS A 26 -21.850 -6.096 -21.475 1.00 72.21 H new ATOM 0 HB2 LYS A 26 -22.497 -6.996 -19.287 1.00 73.23 H new ATOM 0 HB3 LYS A 26 -22.036 -5.308 -19.199 1.00 73.23 H new ATOM 0 HG2 LYS A 26 -24.419 -4.649 -19.106 1.00 1.33 H new ATOM 0 HG3 LYS A 26 -24.898 -6.330 -19.230 1.00 1.33 H new ATOM 0 HD2 LYS A 26 -23.674 -6.841 -17.131 1.00 75.24 H new ATOM 0 HD3 LYS A 26 -23.174 -5.166 -17.009 1.00 75.24 H new ATOM 0 HE2 LYS A 26 -25.114 -5.590 -15.570 1.00 53.42 H new ATOM 0 HE3 LYS A 26 -25.523 -4.444 -16.831 1.00 53.42 H new ATOM 0 HZ1 LYS A 26 -27.188 -6.220 -16.427 1.00 23.11 H new ATOM 0 HZ2 LYS A 26 -26.665 -6.103 -18.039 1.00 23.11 H new ATOM 0 HZ3 LYS A 26 -26.078 -7.348 -17.044 1.00 23.11 H new ATOM 486 N LEU A 27 -23.342 -8.138 -21.732 1.00 30.22 N ATOM 487 CA LEU A 27 -24.132 -9.227 -22.233 1.00 64.33 C ATOM 488 C LEU A 27 -24.764 -9.984 -21.080 1.00 62.51 C ATOM 489 O LEU A 27 -25.785 -10.661 -21.251 1.00 11.51 O ATOM 490 CB LEU A 27 -23.260 -10.166 -23.063 1.00 13.14 C ATOM 491 CG LEU A 27 -22.567 -9.546 -24.277 1.00 43.14 C ATOM 492 CD1 LEU A 27 -21.697 -10.573 -24.973 1.00 61.10 C ATOM 493 CD2 LEU A 27 -23.589 -8.967 -25.244 1.00 23.21 C ATOM 0 H LEU A 27 -22.392 -8.398 -21.466 1.00 30.22 H new ATOM 0 HA LEU A 27 -24.923 -8.828 -22.868 1.00 64.33 H new ATOM 0 HB2 LEU A 27 -22.496 -10.590 -22.411 1.00 13.14 H new ATOM 0 HB3 LEU A 27 -23.880 -10.994 -23.408 1.00 13.14 H new ATOM 0 HG LEU A 27 -21.930 -8.733 -23.929 1.00 43.14 H new ATOM 0 HD11 LEU A 27 -21.211 -10.115 -25.835 1.00 61.10 H new ATOM 0 HD12 LEU A 27 -20.938 -10.937 -24.280 1.00 61.10 H new ATOM 0 HD13 LEU A 27 -22.314 -11.407 -25.306 1.00 61.10 H new ATOM 0 HD21 LEU A 27 -23.074 -8.531 -26.100 1.00 23.21 H new ATOM 0 HD22 LEU A 27 -24.256 -9.759 -25.586 1.00 23.21 H new ATOM 0 HD23 LEU A 27 -24.171 -8.196 -24.740 1.00 23.21 H new ATOM 505 N LYS A 28 -24.156 -9.872 -19.916 1.00 11.11 N ATOM 506 CA LYS A 28 -24.643 -10.549 -18.735 1.00 25.12 C ATOM 507 C LYS A 28 -25.693 -9.694 -18.062 1.00 45.14 C ATOM 508 O LYS A 28 -25.330 -8.815 -17.262 1.00 30.44 O ATOM 509 CB LYS A 28 -23.497 -10.836 -17.762 1.00 61.23 C ATOM 510 CG LYS A 28 -22.362 -11.640 -18.360 1.00 41.13 C ATOM 511 CD LYS A 28 -21.277 -11.952 -17.338 1.00 13.23 C ATOM 512 CE LYS A 28 -21.745 -12.963 -16.300 1.00 74.41 C ATOM 513 NZ LYS A 28 -22.086 -14.264 -16.922 1.00 12.52 N ATOM 514 OXT LYS A 28 -26.892 -9.868 -18.355 1.00 0.00 O ATOM 0 H LYS A 28 -23.316 -9.313 -19.764 1.00 11.11 H new ATOM 0 HA LYS A 28 -25.083 -11.501 -19.032 1.00 25.12 H new ATOM 0 HB2 LYS A 28 -23.102 -9.889 -17.394 1.00 61.23 H new ATOM 0 HB3 LYS A 28 -23.893 -11.373 -16.900 1.00 61.23 H new ATOM 0 HG2 LYS A 28 -22.754 -12.572 -18.767 1.00 41.13 H new ATOM 0 HG3 LYS A 28 -21.927 -11.087 -19.192 1.00 41.13 H new ATOM 0 HD2 LYS A 28 -20.397 -12.340 -17.851 1.00 13.23 H new ATOM 0 HD3 LYS A 28 -20.975 -11.032 -16.838 1.00 13.23 H new ATOM 0 HE2 LYS A 28 -20.963 -13.109 -15.555 1.00 74.41 H new ATOM 0 HE3 LYS A 28 -22.616 -12.570 -15.775 1.00 74.41 H new ATOM 0 HZ1 LYS A 28 -22.087 -15.007 -16.194 1.00 12.52 H new ATOM 0 HZ2 LYS A 28 -23.029 -14.204 -17.357 1.00 12.52 H new ATOM 0 HZ3 LYS A 28 -21.382 -14.495 -17.652 1.00 12.52 H new TER 528 LYS A 28