USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=8 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+ 149:sc= -0.0146 (180deg=-0.0388) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 5 THR OG1 : rot -130:sc= 1 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 50:sc= 0.894 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc=-0.00522 (180deg=-0.0957) USER MOD Single : A 20 THR OG1 : rot 73:sc= 0.767 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0186 (180deg=-0.177) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.106 (180deg=-0.523) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.262 -1.220 2.141 1.00 34.42 N ATOM 2 CA LYS A 1 1.989 -1.536 0.745 1.00 21.50 C ATOM 3 C LYS A 1 3.015 -2.485 0.179 1.00 73.33 C ATOM 4 O LYS A 1 4.157 -2.530 0.627 1.00 61.04 O ATOM 5 CB LYS A 1 1.793 -0.264 -0.134 1.00 24.40 C ATOM 6 CG LYS A 1 2.865 0.829 -0.022 1.00 73.21 C ATOM 7 CD LYS A 1 4.199 0.478 -0.679 1.00 42.13 C ATOM 8 CE LYS A 1 4.101 0.409 -2.199 1.00 4.13 C ATOM 9 NZ LYS A 1 5.419 0.181 -2.824 1.00 62.50 N ATOM 0 H1 LYS A 1 1.933 -0.256 2.349 1.00 34.42 H new ATOM 0 H2 LYS A 1 1.763 -1.896 2.754 1.00 34.42 H new ATOM 0 H3 LYS A 1 3.285 -1.282 2.317 1.00 34.42 H new ATOM 0 HA LYS A 1 1.032 -2.057 0.721 1.00 21.50 H new ATOM 0 HB2 LYS A 1 1.736 -0.577 -1.176 1.00 24.40 H new ATOM 0 HB3 LYS A 1 0.830 0.178 0.119 1.00 24.40 H new ATOM 0 HG2 LYS A 1 2.482 1.744 -0.474 1.00 73.21 H new ATOM 0 HG3 LYS A 1 3.039 1.043 1.033 1.00 73.21 H new ATOM 0 HD2 LYS A 1 4.945 1.222 -0.400 1.00 42.13 H new ATOM 0 HD3 LYS A 1 4.547 -0.481 -0.297 1.00 42.13 H new ATOM 0 HE2 LYS A 1 3.420 -0.394 -2.483 1.00 4.13 H new ATOM 0 HE3 LYS A 1 3.675 1.338 -2.578 1.00 4.13 H new ATOM 0 HZ1 LYS A 1 5.311 0.140 -3.858 1.00 62.50 H new ATOM 0 HZ2 LYS A 1 6.061 0.960 -2.574 1.00 62.50 H new ATOM 0 HZ3 LYS A 1 5.815 -0.718 -2.482 1.00 62.50 H new ATOM 25 N ASP A 2 2.595 -3.236 -0.775 1.00 34.32 N ATOM 26 CA ASP A 2 3.389 -4.220 -1.453 1.00 12.11 C ATOM 27 C ASP A 2 3.161 -4.030 -2.957 1.00 12.40 C ATOM 28 O ASP A 2 2.346 -3.169 -3.353 1.00 2.54 O ATOM 29 CB ASP A 2 2.920 -5.622 -0.981 1.00 53.22 C ATOM 30 CG ASP A 2 3.624 -6.779 -1.646 1.00 73.45 C ATOM 31 OD1 ASP A 2 4.753 -7.108 -1.262 1.00 12.01 O ATOM 32 OD2 ASP A 2 3.053 -7.378 -2.574 1.00 14.21 O ATOM 0 H ASP A 2 1.640 -3.185 -1.129 1.00 34.32 H new ATOM 0 HA ASP A 2 4.453 -4.121 -1.237 1.00 12.11 H new ATOM 0 HB2 ASP A 2 3.067 -5.696 0.097 1.00 53.22 H new ATOM 0 HB3 ASP A 2 1.849 -5.712 -1.163 1.00 53.22 H new ATOM 37 N ILE A 3 3.836 -4.809 -3.777 1.00 71.34 N ATOM 38 CA ILE A 3 3.696 -4.744 -5.223 1.00 31.43 C ATOM 39 C ILE A 3 2.254 -5.115 -5.581 1.00 11.44 C ATOM 40 O ILE A 3 1.634 -4.524 -6.474 1.00 51.31 O ATOM 41 CB ILE A 3 4.692 -5.718 -5.981 1.00 61.20 C ATOM 42 CG1 ILE A 3 6.187 -5.406 -5.698 1.00 51.32 C ATOM 43 CG2 ILE A 3 4.452 -5.688 -7.484 1.00 73.14 C ATOM 44 CD1 ILE A 3 6.698 -5.800 -4.322 1.00 34.22 C ATOM 0 H ILE A 3 4.503 -5.512 -3.459 1.00 71.34 H new ATOM 0 HA ILE A 3 3.940 -3.730 -5.541 1.00 31.43 H new ATOM 0 HB ILE A 3 4.481 -6.714 -5.591 1.00 61.20 H new ATOM 0 HG12 ILE A 3 6.793 -5.914 -6.448 1.00 51.32 H new ATOM 0 HG13 ILE A 3 6.346 -4.336 -5.831 1.00 51.32 H new ATOM 0 HG21 ILE A 3 5.149 -6.365 -7.977 1.00 73.14 H new ATOM 0 HG22 ILE A 3 3.430 -6.002 -7.696 1.00 73.14 H new ATOM 0 HG23 ILE A 3 4.605 -4.675 -7.857 1.00 73.14 H new ATOM 0 HD11 ILE A 3 7.752 -5.536 -4.236 1.00 34.22 H new ATOM 0 HD12 ILE A 3 6.128 -5.272 -3.557 1.00 34.22 H new ATOM 0 HD13 ILE A 3 6.581 -6.875 -4.185 1.00 34.22 H new ATOM 56 N ASN A 4 1.696 -6.042 -4.816 1.00 72.41 N ATOM 57 CA ASN A 4 0.325 -6.481 -5.025 1.00 44.31 C ATOM 58 C ASN A 4 -0.662 -5.363 -4.661 1.00 11.03 C ATOM 59 O ASN A 4 -1.745 -5.279 -5.224 1.00 55.23 O ATOM 60 CB ASN A 4 0.022 -7.749 -4.223 1.00 34.44 C ATOM 61 CG ASN A 4 -1.377 -8.320 -4.480 1.00 52.24 C ATOM 62 OD1 ASN A 4 -1.865 -8.237 -5.700 1.00 54.30 O flip ATOM 63 ND2 ASN A 4 -1.995 -8.879 -3.581 1.00 64.31 N flip ATOM 0 H ASN A 4 2.174 -6.505 -4.043 1.00 72.41 H new ATOM 0 HA ASN A 4 0.206 -6.717 -6.083 1.00 44.31 H new ATOM 0 HB2 ASN A 4 0.765 -8.508 -4.466 1.00 34.44 H new ATOM 0 HB3 ASN A 4 0.126 -7.530 -3.160 1.00 34.44 H new ATOM 0 HD21 ASN A 4 -1.596 -8.931 -2.644 1.00 64.31 H new ATOM 0 HD22 ASN A 4 -2.908 -9.293 -3.770 1.00 64.31 H new ATOM 70 N THR A 5 -0.263 -4.474 -3.763 1.00 31.02 N ATOM 71 CA THR A 5 -1.104 -3.352 -3.377 1.00 3.03 C ATOM 72 C THR A 5 -1.151 -2.345 -4.534 1.00 3.12 C ATOM 73 O THR A 5 -2.164 -1.696 -4.783 1.00 43.32 O ATOM 74 CB THR A 5 -0.536 -2.649 -2.145 1.00 32.31 C ATOM 75 OG1 THR A 5 -0.033 -3.632 -1.233 1.00 72.23 O ATOM 76 CG2 THR A 5 -1.609 -1.832 -1.447 1.00 70.51 C ATOM 0 H THR A 5 0.639 -4.509 -3.288 1.00 31.02 H new ATOM 0 HA THR A 5 -2.101 -3.726 -3.146 1.00 3.03 H new ATOM 0 HB THR A 5 0.263 -1.980 -2.464 1.00 32.31 H new ATOM 0 HG1 THR A 5 -0.390 -3.459 -0.337 1.00 72.23 H new ATOM 0 HG21 THR A 5 -1.181 -1.341 -0.573 1.00 70.51 H new ATOM 0 HG22 THR A 5 -1.997 -1.079 -2.133 1.00 70.51 H new ATOM 0 HG23 THR A 5 -2.420 -2.489 -1.133 1.00 70.51 H new ATOM 84 N ILE A 6 -0.054 -2.257 -5.263 1.00 23.20 N ATOM 85 CA ILE A 6 0.022 -1.388 -6.430 1.00 1.43 C ATOM 86 C ILE A 6 -0.836 -1.972 -7.532 1.00 1.20 C ATOM 87 O ILE A 6 -1.484 -1.254 -8.311 1.00 12.22 O ATOM 88 CB ILE A 6 1.491 -1.194 -6.896 1.00 52.03 C ATOM 89 CG1 ILE A 6 2.321 -0.627 -5.738 1.00 64.02 C ATOM 90 CG2 ILE A 6 1.581 -0.288 -8.121 1.00 45.22 C ATOM 91 CD1 ILE A 6 1.692 0.587 -5.077 1.00 33.42 C ATOM 0 H ILE A 6 0.801 -2.778 -5.069 1.00 23.20 H new ATOM 0 HA ILE A 6 -0.355 -0.399 -6.168 1.00 1.43 H new ATOM 0 HB ILE A 6 1.891 -2.165 -7.188 1.00 52.03 H new ATOM 0 HG12 ILE A 6 2.463 -1.406 -4.989 1.00 64.02 H new ATOM 0 HG13 ILE A 6 3.310 -0.357 -6.109 1.00 64.02 H new ATOM 0 HG21 ILE A 6 2.625 -0.177 -8.416 1.00 45.22 H new ATOM 0 HG22 ILE A 6 1.017 -0.730 -8.942 1.00 45.22 H new ATOM 0 HG23 ILE A 6 1.166 0.691 -7.881 1.00 45.22 H new ATOM 0 HD11 ILE A 6 2.334 0.934 -4.267 1.00 33.42 H new ATOM 0 HD12 ILE A 6 1.575 1.382 -5.813 1.00 33.42 H new ATOM 0 HD13 ILE A 6 0.715 0.317 -4.676 1.00 33.42 H new ATOM 103 N LYS A 7 -0.884 -3.280 -7.557 1.00 62.23 N ATOM 104 CA LYS A 7 -1.755 -3.979 -8.444 1.00 50.12 C ATOM 105 C LYS A 7 -3.195 -3.798 -8.016 1.00 54.52 C ATOM 106 O LYS A 7 -4.079 -3.817 -8.832 1.00 63.01 O ATOM 107 CB LYS A 7 -1.401 -5.435 -8.509 1.00 22.52 C ATOM 108 CG LYS A 7 -0.053 -5.678 -9.127 1.00 44.32 C ATOM 109 CD LYS A 7 0.201 -7.134 -9.227 1.00 32.44 C ATOM 110 CE LYS A 7 1.526 -7.430 -9.894 1.00 52.44 C ATOM 111 NZ LYS A 7 1.799 -8.874 -9.917 1.00 53.53 N ATOM 0 H LYS A 7 -0.317 -3.883 -6.960 1.00 62.23 H new ATOM 0 HA LYS A 7 -1.633 -3.560 -9.443 1.00 50.12 H new ATOM 0 HB2 LYS A 7 -1.415 -5.853 -7.503 1.00 22.52 H new ATOM 0 HB3 LYS A 7 -2.161 -5.964 -9.085 1.00 22.52 H new ATOM 0 HG2 LYS A 7 -0.010 -5.224 -10.117 1.00 44.32 H new ATOM 0 HG3 LYS A 7 0.723 -5.205 -8.525 1.00 44.32 H new ATOM 0 HD2 LYS A 7 0.190 -7.574 -8.230 1.00 32.44 H new ATOM 0 HD3 LYS A 7 -0.603 -7.605 -9.792 1.00 32.44 H new ATOM 0 HE2 LYS A 7 1.518 -7.043 -10.913 1.00 52.44 H new ATOM 0 HE3 LYS A 7 2.326 -6.914 -9.363 1.00 52.44 H new ATOM 0 HZ1 LYS A 7 2.714 -9.047 -10.380 1.00 53.53 H new ATOM 0 HZ2 LYS A 7 1.830 -9.237 -8.943 1.00 53.53 H new ATOM 0 HZ3 LYS A 7 1.047 -9.361 -10.444 1.00 53.53 H new ATOM 125 N SER A 8 -3.417 -3.545 -6.731 1.00 22.13 N ATOM 126 CA SER A 8 -4.768 -3.326 -6.239 1.00 54.45 C ATOM 127 C SER A 8 -5.257 -1.996 -6.779 1.00 20.14 C ATOM 128 O SER A 8 -6.415 -1.852 -7.141 1.00 73.14 O ATOM 129 CB SER A 8 -4.806 -3.341 -4.706 1.00 73.43 C ATOM 130 OG SER A 8 -4.205 -4.529 -4.182 1.00 22.54 O ATOM 0 H SER A 8 -2.688 -3.487 -6.020 1.00 22.13 H new ATOM 0 HA SER A 8 -5.420 -4.130 -6.581 1.00 54.45 H new ATOM 0 HB2 SER A 8 -4.284 -2.466 -4.319 1.00 73.43 H new ATOM 0 HB3 SER A 8 -5.839 -3.273 -4.365 1.00 73.43 H new ATOM 0 HG SER A 8 -3.326 -4.660 -4.594 1.00 22.54 H new ATOM 136 N LEU A 9 -4.344 -1.047 -6.871 1.00 34.42 N ATOM 137 CA LEU A 9 -4.641 0.237 -7.449 1.00 13.51 C ATOM 138 C LEU A 9 -4.996 0.051 -8.920 1.00 50.45 C ATOM 139 O LEU A 9 -6.138 0.178 -9.305 1.00 54.12 O ATOM 140 CB LEU A 9 -3.428 1.180 -7.328 1.00 11.44 C ATOM 141 CG LEU A 9 -2.919 1.470 -5.914 1.00 50.22 C ATOM 142 CD1 LEU A 9 -1.681 2.347 -5.966 1.00 54.21 C ATOM 143 CD2 LEU A 9 -4.000 2.138 -5.092 1.00 70.23 C ATOM 0 H LEU A 9 -3.382 -1.150 -6.547 1.00 34.42 H new ATOM 0 HA LEU A 9 -5.480 0.681 -6.914 1.00 13.51 H new ATOM 0 HB2 LEU A 9 -2.607 0.753 -7.904 1.00 11.44 H new ATOM 0 HB3 LEU A 9 -3.687 2.129 -7.797 1.00 11.44 H new ATOM 0 HG LEU A 9 -2.655 0.524 -5.441 1.00 50.22 H new ATOM 0 HD11 LEU A 9 -1.332 2.544 -4.952 1.00 54.21 H new ATOM 0 HD12 LEU A 9 -0.898 1.838 -6.527 1.00 54.21 H new ATOM 0 HD13 LEU A 9 -1.924 3.290 -6.456 1.00 54.21 H new ATOM 0 HD21 LEU A 9 -3.623 2.338 -4.089 1.00 70.23 H new ATOM 0 HD22 LEU A 9 -4.289 3.077 -5.565 1.00 70.23 H new ATOM 0 HD23 LEU A 9 -4.868 1.481 -5.029 1.00 70.23 H new ATOM 155 N ARG A 10 -4.013 -0.351 -9.697 1.00 11.24 N ATOM 156 CA ARG A 10 -4.149 -0.489 -11.148 1.00 72.42 C ATOM 157 C ARG A 10 -5.262 -1.475 -11.566 1.00 25.25 C ATOM 158 O ARG A 10 -6.211 -1.100 -12.283 1.00 32.54 O ATOM 159 CB ARG A 10 -2.801 -0.903 -11.752 1.00 22.14 C ATOM 160 CG ARG A 10 -2.818 -1.109 -13.256 1.00 11.21 C ATOM 161 CD ARG A 10 -1.460 -1.466 -13.773 1.00 34.12 C ATOM 162 NE ARG A 10 -1.540 -1.849 -15.165 1.00 42.12 N ATOM 163 CZ ARG A 10 -0.626 -1.614 -16.084 1.00 32.13 C ATOM 164 NH1 ARG A 10 0.477 -0.922 -15.790 1.00 3.43 N ATOM 165 NH2 ARG A 10 -0.817 -2.071 -17.303 1.00 2.02 N ATOM 0 H ARG A 10 -3.087 -0.595 -9.346 1.00 11.24 H new ATOM 0 HA ARG A 10 -4.449 0.483 -11.538 1.00 72.42 H new ATOM 0 HB2 ARG A 10 -2.061 -0.140 -11.511 1.00 22.14 H new ATOM 0 HB3 ARG A 10 -2.473 -1.827 -11.276 1.00 22.14 H new ATOM 0 HG2 ARG A 10 -3.525 -1.900 -13.509 1.00 11.21 H new ATOM 0 HG3 ARG A 10 -3.168 -0.200 -13.745 1.00 11.21 H new ATOM 0 HD2 ARG A 10 -0.785 -0.617 -13.660 1.00 34.12 H new ATOM 0 HD3 ARG A 10 -1.043 -2.285 -13.186 1.00 34.12 H new ATOM 0 HE ARG A 10 -2.380 -2.346 -15.462 1.00 42.12 H new ATOM 0 HH11 ARG A 10 0.620 -0.568 -14.844 1.00 3.43 H new ATOM 0 HH12 ARG A 10 1.177 -0.747 -16.511 1.00 3.43 H new ATOM 0 HH21 ARG A 10 -1.662 -2.598 -17.524 1.00 2.02 H new ATOM 0 HH22 ARG A 10 -0.120 -1.899 -18.027 1.00 2.02 H new ATOM 179 N VAL A 11 -5.178 -2.689 -11.077 1.00 51.41 N ATOM 180 CA VAL A 11 -6.073 -3.750 -11.493 1.00 11.42 C ATOM 181 C VAL A 11 -7.506 -3.502 -11.032 1.00 23.11 C ATOM 182 O VAL A 11 -8.445 -3.826 -11.746 1.00 55.02 O ATOM 183 CB VAL A 11 -5.556 -5.152 -11.052 1.00 3.12 C ATOM 184 CG1 VAL A 11 -6.481 -6.273 -11.513 1.00 41.23 C ATOM 185 CG2 VAL A 11 -4.151 -5.375 -11.596 1.00 44.22 C ATOM 0 H VAL A 11 -4.489 -2.972 -10.380 1.00 51.41 H new ATOM 0 HA VAL A 11 -6.086 -3.744 -12.583 1.00 11.42 H new ATOM 0 HB VAL A 11 -5.537 -5.173 -9.962 1.00 3.12 H new ATOM 0 HG11 VAL A 11 -6.082 -7.232 -11.184 1.00 41.23 H new ATOM 0 HG12 VAL A 11 -7.472 -6.126 -11.085 1.00 41.23 H new ATOM 0 HG13 VAL A 11 -6.551 -6.263 -12.601 1.00 41.23 H new ATOM 0 HG21 VAL A 11 -3.792 -6.356 -11.286 1.00 44.22 H new ATOM 0 HG22 VAL A 11 -4.170 -5.323 -12.685 1.00 44.22 H new ATOM 0 HG23 VAL A 11 -3.484 -4.605 -11.207 1.00 44.22 H new ATOM 195 N LEU A 12 -7.699 -2.865 -9.884 1.00 60.43 N ATOM 196 CA LEU A 12 -9.067 -2.583 -9.466 1.00 24.24 C ATOM 197 C LEU A 12 -9.614 -1.378 -10.182 1.00 74.32 C ATOM 198 O LEU A 12 -10.817 -1.254 -10.389 1.00 5.45 O ATOM 199 CB LEU A 12 -9.249 -2.530 -7.954 1.00 71.44 C ATOM 200 CG LEU A 12 -8.892 -3.818 -7.206 1.00 34.42 C ATOM 201 CD1 LEU A 12 -9.123 -3.666 -5.711 1.00 53.23 C ATOM 202 CD2 LEU A 12 -9.668 -5.007 -7.755 1.00 54.32 C ATOM 0 H LEU A 12 -6.965 -2.546 -9.251 1.00 60.43 H new ATOM 0 HA LEU A 12 -9.672 -3.437 -9.771 1.00 24.24 H new ATOM 0 HB2 LEU A 12 -8.637 -1.719 -7.559 1.00 71.44 H new ATOM 0 HB3 LEU A 12 -10.288 -2.280 -7.738 1.00 71.44 H new ATOM 0 HG LEU A 12 -7.831 -4.008 -7.365 1.00 34.42 H new ATOM 0 HD11 LEU A 12 -8.861 -4.596 -5.206 1.00 53.23 H new ATOM 0 HD12 LEU A 12 -8.501 -2.857 -5.327 1.00 53.23 H new ATOM 0 HD13 LEU A 12 -10.172 -3.436 -5.527 1.00 53.23 H new ATOM 0 HD21 LEU A 12 -9.393 -5.907 -7.204 1.00 54.32 H new ATOM 0 HD22 LEU A 12 -10.737 -4.826 -7.644 1.00 54.32 H new ATOM 0 HD23 LEU A 12 -9.430 -5.141 -8.810 1.00 54.32 H new ATOM 214 N ARG A 13 -8.722 -0.537 -10.629 1.00 21.31 N ATOM 215 CA ARG A 13 -9.094 0.588 -11.502 1.00 30.10 C ATOM 216 C ARG A 13 -9.423 0.054 -12.894 1.00 11.34 C ATOM 217 O ARG A 13 -9.908 0.779 -13.755 1.00 55.24 O ATOM 218 CB ARG A 13 -7.999 1.663 -11.581 1.00 35.30 C ATOM 219 CG ARG A 13 -7.792 2.429 -10.286 1.00 34.12 C ATOM 220 CD ARG A 13 -8.579 3.730 -10.233 1.00 63.10 C ATOM 221 NE ARG A 13 -9.978 3.608 -10.665 1.00 43.32 N ATOM 222 CZ ARG A 13 -11.026 3.607 -9.843 1.00 22.45 C ATOM 223 NH1 ARG A 13 -10.859 3.386 -8.545 1.00 34.24 N ATOM 224 NH2 ARG A 13 -12.244 3.761 -10.335 1.00 25.15 N ATOM 0 H ARG A 13 -7.727 -0.593 -10.414 1.00 21.31 H new ATOM 0 HA ARG A 13 -9.970 1.072 -11.070 1.00 30.10 H new ATOM 0 HB2 ARG A 13 -7.059 1.190 -11.866 1.00 35.30 H new ATOM 0 HB3 ARG A 13 -8.253 2.369 -12.372 1.00 35.30 H new ATOM 0 HG2 ARG A 13 -8.086 1.799 -9.447 1.00 34.12 H new ATOM 0 HG3 ARG A 13 -6.731 2.647 -10.165 1.00 34.12 H new ATOM 0 HD2 ARG A 13 -8.558 4.112 -9.212 1.00 63.10 H new ATOM 0 HD3 ARG A 13 -8.080 4.469 -10.860 1.00 63.10 H new ATOM 0 HE ARG A 13 -10.159 3.518 -11.665 1.00 43.32 H new ATOM 0 HH11 ARG A 13 -9.925 3.216 -8.173 1.00 34.24 H new ATOM 0 HH12 ARG A 13 -11.665 3.386 -7.920 1.00 34.24 H new ATOM 0 HH21 ARG A 13 -12.377 3.880 -11.339 1.00 25.15 H new ATOM 0 HH22 ARG A 13 -13.050 3.761 -9.710 1.00 25.15 H new ATOM 238 N VAL A 14 -9.105 -1.208 -13.116 1.00 65.34 N ATOM 239 CA VAL A 14 -9.518 -1.896 -14.322 1.00 21.31 C ATOM 240 C VAL A 14 -10.848 -2.620 -14.063 1.00 45.04 C ATOM 241 O VAL A 14 -11.879 -2.285 -14.639 1.00 71.54 O ATOM 242 CB VAL A 14 -8.461 -2.943 -14.807 1.00 15.43 C ATOM 243 CG1 VAL A 14 -8.944 -3.677 -16.050 1.00 53.15 C ATOM 244 CG2 VAL A 14 -7.130 -2.285 -15.092 1.00 20.14 C ATOM 0 H VAL A 14 -8.558 -1.779 -12.471 1.00 65.34 H new ATOM 0 HA VAL A 14 -9.625 -1.144 -15.103 1.00 21.31 H new ATOM 0 HB VAL A 14 -8.331 -3.665 -14.001 1.00 15.43 H new ATOM 0 HG11 VAL A 14 -8.189 -4.398 -16.363 1.00 53.15 H new ATOM 0 HG12 VAL A 14 -9.874 -4.200 -15.826 1.00 53.15 H new ATOM 0 HG13 VAL A 14 -9.116 -2.960 -16.852 1.00 53.15 H new ATOM 0 HG21 VAL A 14 -6.416 -3.038 -15.427 1.00 20.14 H new ATOM 0 HG22 VAL A 14 -7.256 -1.532 -15.870 1.00 20.14 H new ATOM 0 HG23 VAL A 14 -6.757 -1.810 -14.185 1.00 20.14 H new ATOM 254 N LEU A 15 -10.819 -3.555 -13.131 1.00 21.21 N ATOM 255 CA LEU A 15 -11.941 -4.463 -12.872 1.00 11.32 C ATOM 256 C LEU A 15 -13.198 -3.783 -12.371 1.00 41.53 C ATOM 257 O LEU A 15 -14.302 -4.246 -12.648 1.00 63.02 O ATOM 258 CB LEU A 15 -11.546 -5.591 -11.920 1.00 1.21 C ATOM 259 CG LEU A 15 -10.373 -6.477 -12.339 1.00 34.33 C ATOM 260 CD1 LEU A 15 -10.095 -7.511 -11.267 1.00 42.11 C ATOM 261 CD2 LEU A 15 -10.649 -7.159 -13.669 1.00 44.34 C ATOM 0 H LEU A 15 -10.015 -3.713 -12.524 1.00 21.21 H new ATOM 0 HA LEU A 15 -12.185 -4.878 -13.850 1.00 11.32 H new ATOM 0 HB2 LEU A 15 -11.307 -5.149 -10.953 1.00 1.21 H new ATOM 0 HB3 LEU A 15 -12.417 -6.230 -11.773 1.00 1.21 H new ATOM 0 HG LEU A 15 -9.494 -5.844 -12.461 1.00 34.33 H new ATOM 0 HD11 LEU A 15 -9.258 -8.138 -11.574 1.00 42.11 H new ATOM 0 HD12 LEU A 15 -9.848 -7.008 -10.332 1.00 42.11 H new ATOM 0 HD13 LEU A 15 -10.979 -8.132 -11.122 1.00 42.11 H new ATOM 0 HD21 LEU A 15 -9.798 -7.783 -13.942 1.00 44.34 H new ATOM 0 HD22 LEU A 15 -11.540 -7.780 -13.581 1.00 44.34 H new ATOM 0 HD23 LEU A 15 -10.807 -6.404 -14.439 1.00 44.34 H new ATOM 273 N ARG A 16 -13.060 -2.734 -11.638 1.00 34.31 N ATOM 274 CA ARG A 16 -14.234 -2.063 -11.137 1.00 61.14 C ATOM 275 C ARG A 16 -14.926 -1.218 -12.222 1.00 61.25 C ATOM 276 O ARG A 16 -16.023 -1.584 -12.659 1.00 51.33 O ATOM 277 CB ARG A 16 -13.976 -1.274 -9.835 1.00 24.13 C ATOM 278 CG ARG A 16 -13.589 -2.137 -8.646 1.00 1.41 C ATOM 279 CD ARG A 16 -14.715 -3.055 -8.230 1.00 22.34 C ATOM 280 NE ARG A 16 -14.286 -3.958 -7.172 1.00 71.23 N ATOM 281 CZ ARG A 16 -14.739 -3.955 -5.922 1.00 12.34 C ATOM 282 NH1 ARG A 16 -15.605 -3.027 -5.511 1.00 54.25 N ATOM 283 NH2 ARG A 16 -14.314 -4.870 -5.079 1.00 5.51 N ATOM 0 H ARG A 16 -12.168 -2.319 -11.369 1.00 34.31 H new ATOM 0 HA ARG A 16 -14.937 -2.849 -10.861 1.00 61.14 H new ATOM 0 HB2 ARG A 16 -13.183 -0.548 -10.015 1.00 24.13 H new ATOM 0 HB3 ARG A 16 -14.874 -0.710 -9.582 1.00 24.13 H new ATOM 0 HG2 ARG A 16 -12.710 -2.731 -8.898 1.00 1.41 H new ATOM 0 HG3 ARG A 16 -13.312 -1.498 -7.808 1.00 1.41 H new ATOM 0 HD2 ARG A 16 -15.564 -2.463 -7.887 1.00 22.34 H new ATOM 0 HD3 ARG A 16 -15.056 -3.632 -9.090 1.00 22.34 H new ATOM 0 HE ARG A 16 -13.578 -4.652 -7.410 1.00 71.23 H new ATOM 0 HH11 ARG A 16 -15.928 -2.308 -6.159 1.00 54.25 H new ATOM 0 HH12 ARG A 16 -15.944 -3.037 -4.549 1.00 54.25 H new ATOM 0 HH21 ARG A 16 -13.643 -5.574 -5.386 1.00 5.51 H new ATOM 0 HH22 ARG A 16 -14.656 -4.876 -4.118 1.00 5.51 H new ATOM 297 N PRO A 17 -14.277 -0.156 -12.772 1.00 34.41 N ATOM 298 CA PRO A 17 -14.942 0.764 -13.681 1.00 31.14 C ATOM 299 C PRO A 17 -15.219 0.144 -15.027 1.00 44.51 C ATOM 300 O PRO A 17 -16.244 0.436 -15.646 1.00 72.33 O ATOM 301 CB PRO A 17 -13.957 1.932 -13.830 1.00 63.13 C ATOM 302 CG PRO A 17 -12.898 1.679 -12.819 1.00 53.22 C ATOM 303 CD PRO A 17 -12.867 0.203 -12.637 1.00 32.52 C ATOM 0 HA PRO A 17 -15.915 1.065 -13.293 1.00 31.14 H new ATOM 0 HB2 PRO A 17 -13.540 1.970 -14.836 1.00 63.13 H new ATOM 0 HB3 PRO A 17 -14.450 2.888 -13.653 1.00 63.13 H new ATOM 0 HG2 PRO A 17 -11.933 2.053 -13.160 1.00 53.22 H new ATOM 0 HG3 PRO A 17 -13.122 2.186 -11.880 1.00 53.22 H new ATOM 0 HD2 PRO A 17 -12.249 -0.287 -13.389 1.00 32.52 H new ATOM 0 HD3 PRO A 17 -12.467 -0.079 -11.663 1.00 32.52 H new ATOM 311 N LEU A 18 -14.353 -0.767 -15.472 1.00 11.54 N ATOM 312 CA LEU A 18 -14.545 -1.336 -16.773 1.00 74.21 C ATOM 313 C LEU A 18 -15.633 -2.325 -16.785 1.00 75.24 C ATOM 314 O LEU A 18 -16.195 -2.583 -17.804 1.00 25.14 O ATOM 315 CB LEU A 18 -13.323 -1.947 -17.363 1.00 42.32 C ATOM 316 CG LEU A 18 -12.308 -1.000 -18.011 1.00 35.44 C ATOM 317 CD1 LEU A 18 -11.720 0.007 -17.033 1.00 32.10 C ATOM 318 CD2 LEU A 18 -11.233 -1.810 -18.658 1.00 4.55 C ATOM 0 H LEU A 18 -13.541 -1.108 -14.957 1.00 11.54 H new ATOM 0 HA LEU A 18 -14.812 -0.484 -17.398 1.00 74.21 H new ATOM 0 HB2 LEU A 18 -12.812 -2.504 -16.578 1.00 42.32 H new ATOM 0 HB3 LEU A 18 -13.637 -2.671 -18.115 1.00 42.32 H new ATOM 0 HG LEU A 18 -12.834 -0.409 -18.761 1.00 35.44 H new ATOM 0 HD11 LEU A 18 -11.009 0.648 -17.554 1.00 32.10 H new ATOM 0 HD12 LEU A 18 -12.520 0.618 -16.615 1.00 32.10 H new ATOM 0 HD13 LEU A 18 -11.209 -0.522 -16.229 1.00 32.10 H new ATOM 0 HD21 LEU A 18 -10.505 -1.144 -19.122 1.00 4.55 H new ATOM 0 HD22 LEU A 18 -10.736 -2.422 -17.906 1.00 4.55 H new ATOM 0 HD23 LEU A 18 -11.672 -2.455 -19.419 1.00 4.55 H new ATOM 330 N LYS A 19 -15.941 -2.881 -15.664 1.00 3.41 N ATOM 331 CA LYS A 19 -17.033 -3.812 -15.618 1.00 52.12 C ATOM 332 C LYS A 19 -18.314 -3.100 -15.504 1.00 41.32 C ATOM 333 O LYS A 19 -19.339 -3.567 -15.986 1.00 31.22 O ATOM 334 CB LYS A 19 -16.841 -4.909 -14.588 1.00 1.23 C ATOM 335 CG LYS A 19 -15.940 -6.062 -15.044 1.00 54.05 C ATOM 336 CD LYS A 19 -14.540 -5.618 -15.455 1.00 22.44 C ATOM 337 CE LYS A 19 -13.647 -6.802 -15.779 1.00 70.45 C ATOM 338 NZ LYS A 19 -14.167 -7.617 -16.889 1.00 22.34 N ATOM 0 H LYS A 19 -15.466 -2.716 -14.777 1.00 3.41 H new ATOM 0 HA LYS A 19 -17.054 -4.348 -16.567 1.00 52.12 H new ATOM 0 HB2 LYS A 19 -16.418 -4.471 -13.684 1.00 1.23 H new ATOM 0 HB3 LYS A 19 -17.817 -5.312 -14.320 1.00 1.23 H new ATOM 0 HG2 LYS A 19 -15.859 -6.790 -14.236 1.00 54.05 H new ATOM 0 HG3 LYS A 19 -16.412 -6.570 -15.885 1.00 54.05 H new ATOM 0 HD2 LYS A 19 -14.606 -4.964 -16.324 1.00 22.44 H new ATOM 0 HD3 LYS A 19 -14.093 -5.034 -14.650 1.00 22.44 H new ATOM 0 HE2 LYS A 19 -12.650 -6.442 -16.034 1.00 70.45 H new ATOM 0 HE3 LYS A 19 -13.543 -7.427 -14.892 1.00 70.45 H new ATOM 0 HZ1 LYS A 19 -13.458 -8.329 -17.159 1.00 22.34 H new ATOM 0 HZ2 LYS A 19 -15.041 -8.095 -16.589 1.00 22.34 H new ATOM 0 HZ3 LYS A 19 -14.370 -7.004 -17.704 1.00 22.34 H new ATOM 352 N THR A 20 -18.247 -1.951 -14.933 1.00 31.35 N ATOM 353 CA THR A 20 -19.368 -1.102 -14.874 1.00 52.14 C ATOM 354 C THR A 20 -19.741 -0.610 -16.307 1.00 63.24 C ATOM 355 O THR A 20 -20.914 -0.470 -16.639 1.00 31.23 O ATOM 356 CB THR A 20 -19.091 0.079 -13.948 1.00 63.11 C ATOM 357 OG1 THR A 20 -18.668 -0.410 -12.659 1.00 73.40 O ATOM 358 CG2 THR A 20 -20.341 0.849 -13.781 1.00 34.21 C ATOM 0 H THR A 20 -17.406 -1.577 -14.493 1.00 31.35 H new ATOM 0 HA THR A 20 -20.214 -1.658 -14.469 1.00 52.14 H new ATOM 0 HB THR A 20 -18.310 0.709 -14.374 1.00 63.11 H new ATOM 0 HG1 THR A 20 -17.757 -0.764 -12.727 1.00 73.40 H new ATOM 0 HG21 THR A 20 -20.160 1.698 -13.121 1.00 34.21 H new ATOM 0 HG22 THR A 20 -20.678 1.210 -14.753 1.00 34.21 H new ATOM 0 HG23 THR A 20 -21.108 0.208 -13.346 1.00 34.21 H new ATOM 366 N ILE A 21 -18.742 -0.373 -17.146 1.00 3.41 N ATOM 367 CA ILE A 21 -19.013 0.031 -18.519 1.00 51.33 C ATOM 368 C ILE A 21 -19.181 -1.151 -19.474 1.00 3.40 C ATOM 369 O ILE A 21 -20.168 -1.228 -20.207 1.00 24.13 O ATOM 370 CB ILE A 21 -18.018 1.080 -19.080 1.00 3.15 C ATOM 371 CG1 ILE A 21 -16.576 0.625 -18.870 1.00 62.43 C ATOM 372 CG2 ILE A 21 -18.263 2.433 -18.427 1.00 14.00 C ATOM 373 CD1 ILE A 21 -15.536 1.487 -19.536 1.00 51.41 C ATOM 0 H ILE A 21 -17.754 -0.451 -16.907 1.00 3.41 H new ATOM 0 HA ILE A 21 -19.978 0.534 -18.460 1.00 51.33 H new ATOM 0 HB ILE A 21 -18.182 1.179 -20.153 1.00 3.15 H new ATOM 0 HG12 ILE A 21 -16.372 0.596 -17.800 1.00 62.43 H new ATOM 0 HG13 ILE A 21 -16.474 -0.395 -19.242 1.00 62.43 H new ATOM 0 HG21 ILE A 21 -17.559 3.163 -18.827 1.00 14.00 H new ATOM 0 HG22 ILE A 21 -19.282 2.759 -18.636 1.00 14.00 H new ATOM 0 HG23 ILE A 21 -18.123 2.348 -17.349 1.00 14.00 H new ATOM 0 HD11 ILE A 21 -14.544 1.085 -19.330 1.00 51.41 H new ATOM 0 HD12 ILE A 21 -15.707 1.498 -20.612 1.00 51.41 H new ATOM 0 HD13 ILE A 21 -15.603 2.503 -19.148 1.00 51.41 H new ATOM 385 N LYS A 22 -18.259 -2.085 -19.447 1.00 20.31 N ATOM 386 CA LYS A 22 -18.331 -3.259 -20.335 1.00 15.12 C ATOM 387 C LYS A 22 -19.487 -4.217 -20.036 1.00 61.01 C ATOM 388 O LYS A 22 -19.735 -5.102 -20.830 1.00 23.32 O ATOM 389 CB LYS A 22 -17.004 -4.049 -20.450 1.00 22.30 C ATOM 390 CG LYS A 22 -15.959 -3.474 -21.419 1.00 70.01 C ATOM 391 CD LYS A 22 -15.398 -2.138 -20.978 1.00 31.31 C ATOM 392 CE LYS A 22 -14.356 -1.623 -21.960 1.00 22.33 C ATOM 393 NZ LYS A 22 -14.936 -1.347 -23.293 1.00 23.35 N ATOM 0 H LYS A 22 -17.448 -2.070 -18.829 1.00 20.31 H new ATOM 0 HA LYS A 22 -18.533 -2.804 -21.305 1.00 15.12 H new ATOM 0 HB2 LYS A 22 -16.555 -4.112 -19.459 1.00 22.30 H new ATOM 0 HB3 LYS A 22 -17.236 -5.068 -20.760 1.00 22.30 H new ATOM 0 HG2 LYS A 22 -15.141 -4.186 -21.523 1.00 70.01 H new ATOM 0 HG3 LYS A 22 -16.411 -3.362 -22.404 1.00 70.01 H new ATOM 0 HD2 LYS A 22 -16.207 -1.413 -20.890 1.00 31.31 H new ATOM 0 HD3 LYS A 22 -14.950 -2.238 -19.989 1.00 31.31 H new ATOM 0 HE2 LYS A 22 -13.906 -0.712 -21.565 1.00 22.33 H new ATOM 0 HE3 LYS A 22 -13.557 -2.357 -22.058 1.00 22.33 H new ATOM 0 HZ1 LYS A 22 -14.251 -0.813 -23.866 1.00 23.35 H new ATOM 0 HZ2 LYS A 22 -15.159 -2.245 -23.768 1.00 23.35 H new ATOM 0 HZ3 LYS A 22 -15.806 -0.788 -23.184 1.00 23.35 H new ATOM 407 N ARG A 23 -20.203 -4.035 -18.917 1.00 40.33 N ATOM 408 CA ARG A 23 -21.365 -4.902 -18.587 1.00 40.34 C ATOM 409 C ARG A 23 -22.503 -4.791 -19.615 1.00 40.32 C ATOM 410 O ARG A 23 -23.432 -5.606 -19.606 1.00 53.42 O ATOM 411 CB ARG A 23 -21.940 -4.571 -17.220 1.00 23.34 C ATOM 412 CG ARG A 23 -22.481 -3.162 -17.130 1.00 13.04 C ATOM 413 CD ARG A 23 -23.124 -2.902 -15.804 1.00 44.42 C ATOM 414 NE ARG A 23 -23.585 -1.523 -15.687 1.00 21.10 N ATOM 415 CZ ARG A 23 -24.375 -1.076 -14.711 1.00 34.01 C ATOM 416 NH1 ARG A 23 -24.902 -1.931 -13.840 1.00 51.02 N ATOM 417 NH2 ARG A 23 -24.660 0.211 -14.624 1.00 11.21 N ATOM 0 H ARG A 23 -20.009 -3.308 -18.228 1.00 40.33 H new ATOM 0 HA ARG A 23 -20.972 -5.919 -18.598 1.00 40.34 H new ATOM 0 HB2 ARG A 23 -22.738 -5.276 -16.988 1.00 23.34 H new ATOM 0 HB3 ARG A 23 -21.166 -4.706 -16.464 1.00 23.34 H new ATOM 0 HG2 ARG A 23 -21.671 -2.450 -17.288 1.00 13.04 H new ATOM 0 HG3 ARG A 23 -23.208 -2.999 -17.926 1.00 13.04 H new ATOM 0 HD2 ARG A 23 -23.967 -3.580 -15.670 1.00 44.42 H new ATOM 0 HD3 ARG A 23 -22.412 -3.116 -15.007 1.00 44.42 H new ATOM 0 HE ARG A 23 -23.283 -0.857 -16.399 1.00 21.10 H new ATOM 0 HH11 ARG A 23 -24.702 -2.928 -13.919 1.00 51.02 H new ATOM 0 HH12 ARG A 23 -25.507 -1.590 -13.093 1.00 51.02 H new ATOM 0 HH21 ARG A 23 -24.275 0.866 -15.305 1.00 11.21 H new ATOM 0 HH22 ARG A 23 -25.265 0.550 -13.876 1.00 11.21 H new ATOM 431 N LEU A 24 -22.463 -3.775 -20.449 1.00 10.34 N ATOM 432 CA LEU A 24 -23.500 -3.602 -21.435 1.00 51.42 C ATOM 433 C LEU A 24 -23.201 -4.386 -22.743 1.00 63.32 C ATOM 434 O LEU A 24 -24.051 -5.155 -23.190 1.00 35.22 O ATOM 435 CB LEU A 24 -23.824 -2.113 -21.684 1.00 41.31 C ATOM 436 CG LEU A 24 -24.995 -1.827 -22.628 1.00 70.42 C ATOM 437 CD1 LEU A 24 -26.295 -2.383 -22.065 1.00 63.42 C ATOM 438 CD2 LEU A 24 -25.119 -0.340 -22.879 1.00 42.34 C ATOM 0 H LEU A 24 -21.731 -3.065 -20.463 1.00 10.34 H new ATOM 0 HA LEU A 24 -24.408 -4.042 -21.023 1.00 51.42 H new ATOM 0 HB2 LEU A 24 -24.035 -1.643 -20.724 1.00 41.31 H new ATOM 0 HB3 LEU A 24 -22.933 -1.631 -22.086 1.00 41.31 H new ATOM 0 HG LEU A 24 -24.797 -2.325 -23.577 1.00 70.42 H new ATOM 0 HD11 LEU A 24 -27.112 -2.167 -22.754 1.00 63.42 H new ATOM 0 HD12 LEU A 24 -26.204 -3.462 -21.937 1.00 63.42 H new ATOM 0 HD13 LEU A 24 -26.502 -1.919 -21.101 1.00 63.42 H new ATOM 0 HD21 LEU A 24 -25.956 -0.153 -23.552 1.00 42.34 H new ATOM 0 HD22 LEU A 24 -25.291 0.175 -21.934 1.00 42.34 H new ATOM 0 HD23 LEU A 24 -24.199 0.030 -23.332 1.00 42.34 H new ATOM 450 N PRO A 25 -21.999 -4.230 -23.397 1.00 71.14 N ATOM 451 CA PRO A 25 -21.677 -5.010 -24.601 1.00 50.32 C ATOM 452 C PRO A 25 -21.247 -6.434 -24.268 1.00 73.22 C ATOM 453 O PRO A 25 -21.120 -7.301 -25.142 1.00 61.22 O ATOM 454 CB PRO A 25 -20.539 -4.228 -25.279 1.00 70.44 C ATOM 455 CG PRO A 25 -20.358 -2.982 -24.464 1.00 61.23 C ATOM 456 CD PRO A 25 -20.920 -3.275 -23.104 1.00 54.34 C ATOM 0 HA PRO A 25 -22.547 -5.123 -25.248 1.00 50.32 H new ATOM 0 HB2 PRO A 25 -19.621 -4.816 -25.304 1.00 70.44 H new ATOM 0 HB3 PRO A 25 -20.791 -3.987 -26.312 1.00 70.44 H new ATOM 0 HG2 PRO A 25 -19.304 -2.712 -24.398 1.00 61.23 H new ATOM 0 HG3 PRO A 25 -20.875 -2.140 -24.924 1.00 61.23 H new ATOM 0 HD2 PRO A 25 -20.170 -3.704 -22.440 1.00 54.34 H new ATOM 0 HD3 PRO A 25 -21.297 -2.374 -22.619 1.00 54.34 H new ATOM 464 N LYS A 26 -21.035 -6.644 -23.022 1.00 13.21 N ATOM 465 CA LYS A 26 -20.644 -7.922 -22.459 1.00 15.20 C ATOM 466 C LYS A 26 -21.377 -8.097 -21.152 1.00 44.44 C ATOM 467 O LYS A 26 -20.979 -7.530 -20.138 1.00 55.41 O ATOM 468 CB LYS A 26 -19.135 -7.992 -22.190 1.00 1.15 C ATOM 469 CG LYS A 26 -18.246 -7.814 -23.397 1.00 31.22 C ATOM 470 CD LYS A 26 -16.793 -7.924 -22.999 1.00 22.41 C ATOM 471 CE LYS A 26 -15.881 -7.729 -24.183 1.00 31.44 C ATOM 472 NZ LYS A 26 -14.468 -7.896 -23.811 1.00 42.41 N ATOM 0 H LYS A 26 -21.128 -5.910 -22.320 1.00 13.21 H new ATOM 0 HA LYS A 26 -20.893 -8.708 -23.172 1.00 15.20 H new ATOM 0 HB2 LYS A 26 -18.879 -7.227 -21.457 1.00 1.15 H new ATOM 0 HB3 LYS A 26 -18.910 -8.957 -21.735 1.00 1.15 H new ATOM 0 HG2 LYS A 26 -18.483 -8.569 -24.146 1.00 31.22 H new ATOM 0 HG3 LYS A 26 -18.432 -6.842 -23.854 1.00 31.22 H new ATOM 0 HD2 LYS A 26 -16.566 -7.179 -22.237 1.00 22.41 H new ATOM 0 HD3 LYS A 26 -16.609 -8.902 -22.554 1.00 22.41 H new ATOM 0 HE2 LYS A 26 -16.139 -8.444 -24.964 1.00 31.44 H new ATOM 0 HE3 LYS A 26 -16.033 -6.733 -24.600 1.00 31.44 H new ATOM 0 HZ1 LYS A 26 -13.869 -7.755 -24.650 1.00 42.41 H new ATOM 0 HZ2 LYS A 26 -14.216 -7.197 -23.084 1.00 42.41 H new ATOM 0 HZ3 LYS A 26 -14.319 -8.855 -23.436 1.00 42.41 H new ATOM 486 N LEU A 27 -22.451 -8.834 -21.180 1.00 12.21 N ATOM 487 CA LEU A 27 -23.282 -9.025 -20.013 1.00 51.22 C ATOM 488 C LEU A 27 -22.515 -9.769 -18.928 1.00 1.12 C ATOM 489 O LEU A 27 -22.300 -10.988 -19.037 1.00 74.51 O ATOM 490 CB LEU A 27 -24.553 -9.782 -20.387 1.00 21.04 C ATOM 491 CG LEU A 27 -25.403 -9.166 -21.503 1.00 12.04 C ATOM 492 CD1 LEU A 27 -26.613 -10.024 -21.770 1.00 14.21 C ATOM 493 CD2 LEU A 27 -25.827 -7.747 -21.157 1.00 71.21 C ATOM 0 H LEU A 27 -22.781 -9.323 -22.012 1.00 12.21 H new ATOM 0 HA LEU A 27 -23.564 -8.047 -19.623 1.00 51.22 H new ATOM 0 HB2 LEU A 27 -24.275 -10.792 -20.686 1.00 21.04 H new ATOM 0 HB3 LEU A 27 -25.173 -9.873 -19.495 1.00 21.04 H new ATOM 0 HG LEU A 27 -24.793 -9.122 -22.405 1.00 12.04 H new ATOM 0 HD11 LEU A 27 -27.209 -9.576 -22.565 1.00 14.21 H new ATOM 0 HD12 LEU A 27 -26.293 -11.020 -22.075 1.00 14.21 H new ATOM 0 HD13 LEU A 27 -27.214 -10.098 -20.864 1.00 14.21 H new ATOM 0 HD21 LEU A 27 -26.428 -7.339 -21.969 1.00 71.21 H new ATOM 0 HD22 LEU A 27 -26.415 -7.757 -20.239 1.00 71.21 H new ATOM 0 HD23 LEU A 27 -24.942 -7.127 -21.014 1.00 71.21 H new ATOM 505 N LYS A 28 -22.101 -9.009 -17.903 1.00 13.10 N ATOM 506 CA LYS A 28 -21.305 -9.473 -16.760 1.00 74.54 C ATOM 507 C LYS A 28 -20.073 -10.278 -17.176 1.00 62.43 C ATOM 508 O LYS A 28 -19.085 -9.662 -17.610 1.00 60.12 O ATOM 509 CB LYS A 28 -22.153 -10.155 -15.636 1.00 74.03 C ATOM 510 CG LYS A 28 -23.087 -11.271 -16.084 1.00 3.41 C ATOM 511 CD LYS A 28 -23.825 -11.886 -14.919 1.00 13.23 C ATOM 512 CE LYS A 28 -24.889 -12.862 -15.391 1.00 25.22 C ATOM 513 NZ LYS A 28 -25.925 -12.187 -16.209 1.00 53.34 N ATOM 514 OXT LYS A 28 -20.057 -11.518 -17.058 1.00 0.00 O ATOM 0 H LYS A 28 -22.321 -8.015 -17.847 1.00 13.10 H new ATOM 0 HA LYS A 28 -20.915 -8.568 -16.295 1.00 74.54 H new ATOM 0 HB2 LYS A 28 -21.470 -10.559 -14.889 1.00 74.03 H new ATOM 0 HB3 LYS A 28 -22.748 -9.387 -15.142 1.00 74.03 H new ATOM 0 HG2 LYS A 28 -23.806 -10.877 -16.802 1.00 3.41 H new ATOM 0 HG3 LYS A 28 -22.512 -12.042 -16.598 1.00 3.41 H new ATOM 0 HD2 LYS A 28 -23.118 -12.402 -14.270 1.00 13.23 H new ATOM 0 HD3 LYS A 28 -24.289 -11.099 -14.324 1.00 13.23 H new ATOM 0 HE2 LYS A 28 -24.422 -13.655 -15.976 1.00 25.22 H new ATOM 0 HE3 LYS A 28 -25.357 -13.336 -14.528 1.00 25.22 H new ATOM 0 HZ1 LYS A 28 -26.786 -12.771 -16.230 1.00 53.34 H new ATOM 0 HZ2 LYS A 28 -26.146 -11.260 -15.793 1.00 53.34 H new ATOM 0 HZ3 LYS A 28 -25.571 -12.057 -17.178 1.00 53.34 H new TER 528 LYS A 28