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+ 176:sc= -0.0639 (180deg=-0.0786) USER MOD Single : A 1 LYS NZ :NH3+ -167:sc=-0.000398 (180deg=-0.131) USER MOD Single : A 4 ASN : amide:sc= -0.684 K(o=-0.68,f=0) USER MOD Single : A 5 THR OG1 : rot 22:sc= -0.772 USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -0.0383 (180deg=-0.297) USER MOD Single : A 8 SER OG : rot 71:sc= 1.27 USER MOD Single : A 19 LYS NZ :NH3+ 166:sc=-0.00646 (180deg=-0.151) USER MOD Single : A 20 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc=-0.00193 (180deg=-0.049) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.500 -0.897 -2.986 1.00 4.42 N ATOM 2 CA LYS A 1 3.767 -1.520 -3.386 1.00 41.33 C ATOM 3 C LYS A 1 3.571 -2.976 -3.806 1.00 63.41 C ATOM 4 O LYS A 1 3.992 -3.358 -4.898 1.00 40.21 O ATOM 5 CB LYS A 1 4.824 -1.412 -2.272 1.00 42.32 C ATOM 6 CG LYS A 1 4.331 -1.877 -0.926 1.00 33.21 C ATOM 7 CD LYS A 1 5.413 -1.929 0.104 1.00 12.42 C ATOM 8 CE LYS A 1 4.840 -2.362 1.434 1.00 3.11 C ATOM 9 NZ LYS A 1 3.968 -1.328 2.055 1.00 62.42 N ATOM 0 H1 LYS A 1 2.681 0.068 -2.643 1.00 4.42 H new ATOM 0 H2 LYS A 1 1.858 -0.860 -3.803 1.00 4.42 H new ATOM 0 H3 LYS A 1 2.062 -1.457 -2.227 1.00 4.42 H new ATOM 0 HA LYS A 1 4.133 -0.970 -4.253 1.00 41.33 H new ATOM 0 HB2 LYS A 1 5.697 -2.001 -2.553 1.00 42.32 H new ATOM 0 HB3 LYS A 1 5.151 -0.375 -2.192 1.00 42.32 H new ATOM 0 HG2 LYS A 1 3.542 -1.208 -0.583 1.00 33.21 H new ATOM 0 HG3 LYS A 1 3.887 -2.867 -1.030 1.00 33.21 H new ATOM 0 HD2 LYS A 1 6.192 -2.624 -0.209 1.00 12.42 H new ATOM 0 HD3 LYS A 1 5.881 -0.949 0.202 1.00 12.42 H new ATOM 0 HE2 LYS A 1 4.266 -3.278 1.295 1.00 3.11 H new ATOM 0 HE3 LYS A 1 5.657 -2.598 2.116 1.00 3.11 H new ATOM 0 HZ1 LYS A 1 3.784 -1.580 3.047 1.00 62.42 H new ATOM 0 HZ2 LYS A 1 4.443 -0.404 2.015 1.00 62.42 H new ATOM 0 HZ3 LYS A 1 3.067 -1.277 1.538 1.00 62.42 H new ATOM 25 N ASP A 2 2.924 -3.783 -2.950 1.00 13.53 N ATOM 26 CA ASP A 2 2.701 -5.193 -3.233 1.00 1.51 C ATOM 27 C ASP A 2 1.874 -5.401 -4.500 1.00 13.24 C ATOM 28 O ASP A 2 0.940 -4.650 -4.769 1.00 21.24 O ATOM 29 CB ASP A 2 2.068 -5.874 -2.020 1.00 62.15 C ATOM 30 CG ASP A 2 1.427 -7.185 -2.352 1.00 65.23 C ATOM 31 OD1 ASP A 2 2.138 -8.205 -2.449 1.00 0.51 O ATOM 32 OD2 ASP A 2 0.192 -7.212 -2.524 1.00 23.24 O ATOM 0 H ASP A 2 2.548 -3.472 -2.054 1.00 13.53 H new ATOM 0 HA ASP A 2 3.668 -5.659 -3.424 1.00 1.51 H new ATOM 0 HB2 ASP A 2 2.833 -6.032 -1.259 1.00 62.15 H new ATOM 0 HB3 ASP A 2 1.320 -5.210 -1.587 1.00 62.15 H new ATOM 37 N ILE A 3 2.228 -6.435 -5.251 1.00 22.11 N ATOM 38 CA ILE A 3 1.639 -6.725 -6.552 1.00 1.42 C ATOM 39 C ILE A 3 0.133 -6.906 -6.446 1.00 11.43 C ATOM 40 O ILE A 3 -0.621 -6.214 -7.121 1.00 13.32 O ATOM 41 CB ILE A 3 2.265 -7.997 -7.258 1.00 0.12 C ATOM 42 CG1 ILE A 3 3.778 -7.850 -7.553 1.00 63.44 C ATOM 43 CG2 ILE A 3 1.529 -8.326 -8.553 1.00 13.02 C ATOM 44 CD1 ILE A 3 4.684 -7.902 -6.343 1.00 65.45 C ATOM 0 H ILE A 3 2.943 -7.106 -4.970 1.00 22.11 H new ATOM 0 HA ILE A 3 1.868 -5.858 -7.172 1.00 1.42 H new ATOM 0 HB ILE A 3 2.146 -8.814 -6.547 1.00 0.12 H new ATOM 0 HG12 ILE A 3 4.075 -8.641 -8.242 1.00 63.44 H new ATOM 0 HG13 ILE A 3 3.940 -6.902 -8.066 1.00 63.44 H new ATOM 0 HG21 ILE A 3 1.981 -9.204 -9.015 1.00 13.02 H new ATOM 0 HG22 ILE A 3 0.481 -8.530 -8.334 1.00 13.02 H new ATOM 0 HG23 ILE A 3 1.599 -7.480 -9.236 1.00 13.02 H new ATOM 0 HD11 ILE A 3 5.721 -7.790 -6.660 1.00 65.45 H new ATOM 0 HD12 ILE A 3 4.424 -7.094 -5.659 1.00 65.45 H new ATOM 0 HD13 ILE A 3 4.561 -8.860 -5.837 1.00 65.45 H new ATOM 56 N ASN A 4 -0.300 -7.793 -5.570 1.00 2.34 N ATOM 57 CA ASN A 4 -1.727 -8.092 -5.440 1.00 44.10 C ATOM 58 C ASN A 4 -2.500 -6.887 -4.945 1.00 14.33 C ATOM 59 O ASN A 4 -3.590 -6.581 -5.464 1.00 2.05 O ATOM 60 CB ASN A 4 -2.009 -9.280 -4.521 1.00 21.13 C ATOM 61 CG ASN A 4 -3.497 -9.667 -4.507 1.00 63.00 C ATOM 62 OD1 ASN A 4 -4.039 -10.062 -3.473 1.00 32.21 O ATOM 63 ND2 ASN A 4 -4.151 -9.613 -5.657 1.00 60.14 N ATOM 0 H ASN A 4 0.305 -8.319 -4.939 1.00 2.34 H new ATOM 0 HA ASN A 4 -2.062 -8.358 -6.443 1.00 44.10 H new ATOM 0 HB2 ASN A 4 -1.416 -10.136 -4.845 1.00 21.13 H new ATOM 0 HB3 ASN A 4 -1.690 -9.036 -3.508 1.00 21.13 H new ATOM 0 HD21 ASN A 4 -5.128 -9.903 -5.702 1.00 60.14 H new ATOM 0 HD22 ASN A 4 -3.678 -9.282 -6.498 1.00 60.14 H new ATOM 70 N THR A 5 -1.951 -6.171 -3.981 1.00 3.23 N ATOM 71 CA THR A 5 -2.641 -5.016 -3.480 1.00 24.11 C ATOM 72 C THR A 5 -2.743 -3.938 -4.549 1.00 12.33 C ATOM 73 O THR A 5 -3.733 -3.251 -4.630 1.00 45.44 O ATOM 74 CB THR A 5 -2.049 -4.490 -2.171 1.00 1.42 C ATOM 75 OG1 THR A 5 -0.634 -4.458 -2.276 1.00 72.34 O ATOM 76 CG2 THR A 5 -2.454 -5.372 -1.004 1.00 74.13 C ATOM 0 H THR A 5 -1.051 -6.368 -3.543 1.00 3.23 H new ATOM 0 HA THR A 5 -3.655 -5.330 -3.232 1.00 24.11 H new ATOM 0 HB THR A 5 -2.431 -3.485 -1.992 1.00 1.42 H new ATOM 0 HG1 THR A 5 -0.377 -4.429 -3.221 1.00 72.34 H new ATOM 0 HG21 THR A 5 -2.022 -4.979 -0.084 1.00 74.13 H new ATOM 0 HG22 THR A 5 -3.541 -5.385 -0.918 1.00 74.13 H new ATOM 0 HG23 THR A 5 -2.091 -6.386 -1.171 1.00 74.13 H new ATOM 84 N ILE A 6 -1.746 -3.855 -5.417 1.00 74.20 N ATOM 85 CA ILE A 6 -1.810 -2.965 -6.567 1.00 73.44 C ATOM 86 C ILE A 6 -2.866 -3.451 -7.549 1.00 54.02 C ATOM 87 O ILE A 6 -3.651 -2.658 -8.090 1.00 71.54 O ATOM 88 CB ILE A 6 -0.419 -2.790 -7.255 1.00 34.44 C ATOM 89 CG1 ILE A 6 0.506 -1.957 -6.362 1.00 52.44 C ATOM 90 CG2 ILE A 6 -0.519 -2.196 -8.659 1.00 23.43 C ATOM 91 CD1 ILE A 6 -0.101 -0.635 -5.925 1.00 34.54 C ATOM 0 H ILE A 6 -0.882 -4.393 -5.347 1.00 74.20 H new ATOM 0 HA ILE A 6 -2.101 -1.977 -6.210 1.00 73.44 H new ATOM 0 HB ILE A 6 0.008 -3.785 -7.382 1.00 34.44 H new ATOM 0 HG12 ILE A 6 0.764 -2.539 -5.477 1.00 52.44 H new ATOM 0 HG13 ILE A 6 1.435 -1.762 -6.897 1.00 52.44 H new ATOM 0 HG21 ILE A 6 0.480 -2.099 -9.085 1.00 23.43 H new ATOM 0 HG22 ILE A 6 -1.120 -2.851 -9.289 1.00 23.43 H new ATOM 0 HG23 ILE A 6 -0.988 -1.214 -8.606 1.00 23.43 H new ATOM 0 HD11 ILE A 6 0.609 -0.099 -5.296 1.00 34.54 H new ATOM 0 HD12 ILE A 6 -0.334 -0.033 -6.804 1.00 34.54 H new ATOM 0 HD13 ILE A 6 -1.015 -0.823 -5.361 1.00 34.54 H new ATOM 103 N LYS A 7 -2.951 -4.752 -7.705 1.00 22.32 N ATOM 104 CA LYS A 7 -3.928 -5.351 -8.591 1.00 13.34 C ATOM 105 C LYS A 7 -5.314 -5.349 -7.968 1.00 25.12 C ATOM 106 O LYS A 7 -6.267 -5.857 -8.555 1.00 13.43 O ATOM 107 CB LYS A 7 -3.528 -6.764 -9.017 1.00 53.33 C ATOM 108 CG LYS A 7 -2.179 -6.844 -9.709 1.00 74.40 C ATOM 109 CD LYS A 7 -2.087 -5.909 -10.906 1.00 10.24 C ATOM 110 CE LYS A 7 -0.730 -6.008 -11.569 1.00 44.10 C ATOM 111 NZ LYS A 7 -0.479 -7.359 -12.105 1.00 24.10 N ATOM 0 H LYS A 7 -2.350 -5.423 -7.226 1.00 22.32 H new ATOM 0 HA LYS A 7 -3.957 -4.735 -9.490 1.00 13.34 H new ATOM 0 HB2 LYS A 7 -3.511 -7.406 -8.137 1.00 53.33 H new ATOM 0 HB3 LYS A 7 -4.292 -7.160 -9.686 1.00 53.33 H new ATOM 0 HG2 LYS A 7 -1.392 -6.596 -8.996 1.00 74.40 H new ATOM 0 HG3 LYS A 7 -2.001 -7.868 -10.037 1.00 74.40 H new ATOM 0 HD2 LYS A 7 -2.867 -6.157 -11.626 1.00 10.24 H new ATOM 0 HD3 LYS A 7 -2.265 -4.883 -10.585 1.00 10.24 H new ATOM 0 HE2 LYS A 7 -0.666 -5.279 -12.377 1.00 44.10 H new ATOM 0 HE3 LYS A 7 0.046 -5.753 -10.848 1.00 44.10 H new ATOM 0 HZ1 LYS A 7 0.337 -7.331 -12.749 1.00 24.10 H new ATOM 0 HZ2 LYS A 7 -0.279 -8.012 -11.321 1.00 24.10 H new ATOM 0 HZ3 LYS A 7 -1.318 -7.688 -12.624 1.00 24.10 H new ATOM 125 N SER A 8 -5.418 -4.812 -6.778 1.00 14.34 N ATOM 126 CA SER A 8 -6.691 -4.632 -6.168 1.00 54.43 C ATOM 127 C SER A 8 -6.990 -3.136 -6.138 1.00 51.42 C ATOM 128 O SER A 8 -7.991 -2.684 -6.660 1.00 24.14 O ATOM 129 CB SER A 8 -6.682 -5.236 -4.761 1.00 22.24 C ATOM 130 OG SER A 8 -6.240 -6.600 -4.802 1.00 62.44 O ATOM 0 H SER A 8 -4.627 -4.494 -6.219 1.00 14.34 H new ATOM 0 HA SER A 8 -7.472 -5.141 -6.733 1.00 54.43 H new ATOM 0 HB2 SER A 8 -6.026 -4.654 -4.114 1.00 22.24 H new ATOM 0 HB3 SER A 8 -7.682 -5.184 -4.330 1.00 22.24 H new ATOM 0 HG SER A 8 -5.282 -6.627 -5.008 1.00 62.44 H new ATOM 136 N LEU A 9 -6.049 -2.382 -5.624 1.00 74.32 N ATOM 137 CA LEU A 9 -6.167 -0.966 -5.441 1.00 65.12 C ATOM 138 C LEU A 9 -6.358 -0.227 -6.763 1.00 24.32 C ATOM 139 O LEU A 9 -7.270 0.563 -6.901 1.00 20.04 O ATOM 140 CB LEU A 9 -4.916 -0.457 -4.734 1.00 14.05 C ATOM 141 CG LEU A 9 -4.937 0.979 -4.294 1.00 13.14 C ATOM 142 CD1 LEU A 9 -6.032 1.172 -3.269 1.00 64.22 C ATOM 143 CD2 LEU A 9 -3.586 1.383 -3.736 1.00 20.44 C ATOM 0 H LEU A 9 -5.152 -2.755 -5.313 1.00 74.32 H new ATOM 0 HA LEU A 9 -7.053 -0.772 -4.837 1.00 65.12 H new ATOM 0 HB2 LEU A 9 -4.741 -1.081 -3.857 1.00 14.05 H new ATOM 0 HB3 LEU A 9 -4.065 -0.598 -5.401 1.00 14.05 H new ATOM 0 HG LEU A 9 -5.143 1.619 -5.152 1.00 13.14 H new ATOM 0 HD11 LEU A 9 -6.050 2.213 -2.947 1.00 64.22 H new ATOM 0 HD12 LEU A 9 -6.994 0.912 -3.711 1.00 64.22 H new ATOM 0 HD13 LEU A 9 -5.842 0.530 -2.409 1.00 64.22 H new ATOM 0 HD21 LEU A 9 -3.619 2.426 -3.422 1.00 20.44 H new ATOM 0 HD22 LEU A 9 -3.343 0.754 -2.880 1.00 20.44 H new ATOM 0 HD23 LEU A 9 -2.823 1.260 -4.505 1.00 20.44 H new ATOM 155 N ARG A 10 -5.506 -0.497 -7.724 1.00 2.33 N ATOM 156 CA ARG A 10 -5.581 0.201 -8.997 1.00 54.44 C ATOM 157 C ARG A 10 -6.632 -0.475 -9.870 1.00 5.41 C ATOM 158 O ARG A 10 -7.604 0.150 -10.327 1.00 52.14 O ATOM 159 CB ARG A 10 -4.227 0.157 -9.735 1.00 31.41 C ATOM 160 CG ARG A 10 -3.005 0.540 -8.905 1.00 14.42 C ATOM 161 CD ARG A 10 -3.045 1.943 -8.375 1.00 60.12 C ATOM 162 NE ARG A 10 -1.793 2.219 -7.688 1.00 5.34 N ATOM 163 CZ ARG A 10 -1.616 3.074 -6.691 1.00 2.24 C ATOM 164 NH1 ARG A 10 -2.616 3.864 -6.272 1.00 64.33 N ATOM 165 NH2 ARG A 10 -0.425 3.154 -6.124 1.00 14.22 N ATOM 0 H ARG A 10 -4.758 -1.187 -7.656 1.00 2.33 H new ATOM 0 HA ARG A 10 -5.843 1.242 -8.805 1.00 54.44 H new ATOM 0 HB2 ARG A 10 -4.078 -0.851 -10.122 1.00 31.41 H new ATOM 0 HB3 ARG A 10 -4.282 0.824 -10.595 1.00 31.41 H new ATOM 0 HG2 ARG A 10 -2.916 -0.152 -8.067 1.00 14.42 H new ATOM 0 HG3 ARG A 10 -2.110 0.418 -9.516 1.00 14.42 H new ATOM 0 HD2 ARG A 10 -3.192 2.651 -9.191 1.00 60.12 H new ATOM 0 HD3 ARG A 10 -3.886 2.065 -7.692 1.00 60.12 H new ATOM 0 HE ARG A 10 -0.971 1.704 -8.004 1.00 5.34 H new ATOM 0 HH11 ARG A 10 -3.530 3.812 -6.722 1.00 64.33 H new ATOM 0 HH12 ARG A 10 -2.463 4.516 -5.503 1.00 64.33 H new ATOM 0 HH21 ARG A 10 0.338 2.564 -6.455 1.00 14.22 H new ATOM 0 HH22 ARG A 10 -0.269 3.806 -5.355 1.00 14.22 H new ATOM 179 N VAL A 11 -6.460 -1.768 -10.041 1.00 15.32 N ATOM 180 CA VAL A 11 -7.287 -2.562 -10.932 1.00 14.01 C ATOM 181 C VAL A 11 -8.784 -2.512 -10.592 1.00 73.32 C ATOM 182 O VAL A 11 -9.604 -2.439 -11.489 1.00 52.25 O ATOM 183 CB VAL A 11 -6.764 -4.023 -11.060 1.00 55.05 C ATOM 184 CG1 VAL A 11 -7.664 -4.873 -11.953 1.00 13.43 C ATOM 185 CG2 VAL A 11 -5.349 -4.014 -11.620 1.00 15.44 C ATOM 0 H VAL A 11 -5.737 -2.305 -9.563 1.00 15.32 H new ATOM 0 HA VAL A 11 -7.197 -2.095 -11.913 1.00 14.01 H new ATOM 0 HB VAL A 11 -6.769 -4.466 -10.064 1.00 55.05 H new ATOM 0 HG11 VAL A 11 -7.263 -5.885 -12.016 1.00 13.43 H new ATOM 0 HG12 VAL A 11 -8.669 -4.906 -11.531 1.00 13.43 H new ATOM 0 HG13 VAL A 11 -7.704 -4.436 -12.951 1.00 13.43 H new ATOM 0 HG21 VAL A 11 -4.986 -5.038 -11.708 1.00 15.44 H new ATOM 0 HG22 VAL A 11 -5.350 -3.543 -12.603 1.00 15.44 H new ATOM 0 HG23 VAL A 11 -4.696 -3.454 -10.950 1.00 15.44 H new ATOM 195 N LEU A 12 -9.156 -2.474 -9.319 1.00 51.33 N ATOM 196 CA LEU A 12 -10.546 -2.436 -8.987 1.00 4.54 C ATOM 197 C LEU A 12 -11.115 -1.040 -9.196 1.00 13.33 C ATOM 198 O LEU A 12 -12.281 -0.870 -9.550 1.00 53.41 O ATOM 199 CB LEU A 12 -10.788 -3.003 -7.599 1.00 3.40 C ATOM 200 CG LEU A 12 -12.189 -2.914 -7.087 1.00 44.12 C ATOM 201 CD1 LEU A 12 -13.142 -3.782 -7.910 1.00 53.40 C ATOM 202 CD2 LEU A 12 -12.259 -3.244 -5.611 1.00 53.30 C ATOM 0 H LEU A 12 -8.517 -2.469 -8.524 1.00 51.33 H new ATOM 0 HA LEU A 12 -11.096 -3.084 -9.669 1.00 4.54 H new ATOM 0 HB2 LEU A 12 -10.489 -4.051 -7.600 1.00 3.40 H new ATOM 0 HB3 LEU A 12 -10.133 -2.485 -6.898 1.00 3.40 H new ATOM 0 HG LEU A 12 -12.517 -1.881 -7.202 1.00 44.12 H new ATOM 0 HD11 LEU A 12 -14.152 -3.693 -7.510 1.00 53.40 H new ATOM 0 HD12 LEU A 12 -13.132 -3.450 -8.948 1.00 53.40 H new ATOM 0 HD13 LEU A 12 -12.822 -4.823 -7.859 1.00 53.40 H new ATOM 0 HD21 LEU A 12 -13.292 -3.170 -5.270 1.00 53.30 H new ATOM 0 HD22 LEU A 12 -11.895 -4.258 -5.447 1.00 53.30 H new ATOM 0 HD23 LEU A 12 -11.641 -2.542 -5.051 1.00 53.30 H new ATOM 214 N ARG A 13 -10.253 -0.073 -9.087 1.00 12.45 N ATOM 215 CA ARG A 13 -10.596 1.312 -9.393 1.00 1.35 C ATOM 216 C ARG A 13 -10.699 1.500 -10.903 1.00 31.21 C ATOM 217 O ARG A 13 -11.117 2.555 -11.398 1.00 75.24 O ATOM 218 CB ARG A 13 -9.587 2.268 -8.786 1.00 4.52 C ATOM 219 CG ARG A 13 -9.745 2.362 -7.290 1.00 31.13 C ATOM 220 CD ARG A 13 -10.110 3.761 -6.850 1.00 44.32 C ATOM 221 NE ARG A 13 -11.267 4.322 -7.566 1.00 2.23 N ATOM 222 CZ ARG A 13 -12.147 5.187 -7.046 1.00 65.04 C ATOM 223 NH1 ARG A 13 -12.078 5.526 -5.768 1.00 14.23 N ATOM 224 NH2 ARG A 13 -13.097 5.702 -7.808 1.00 20.34 N ATOM 0 H ARG A 13 -9.288 -0.207 -8.784 1.00 12.45 H new ATOM 0 HA ARG A 13 -11.566 1.540 -8.950 1.00 1.35 H new ATOM 0 HB2 ARG A 13 -8.578 1.934 -9.026 1.00 4.52 H new ATOM 0 HB3 ARG A 13 -9.709 3.257 -9.229 1.00 4.52 H new ATOM 0 HG2 ARG A 13 -10.516 1.665 -6.962 1.00 31.13 H new ATOM 0 HG3 ARG A 13 -8.816 2.060 -6.807 1.00 31.13 H new ATOM 0 HD2 ARG A 13 -10.324 3.752 -5.781 1.00 44.32 H new ATOM 0 HD3 ARG A 13 -9.250 4.415 -6.997 1.00 44.32 H new ATOM 0 HE ARG A 13 -11.409 4.029 -8.533 1.00 2.23 H new ATOM 0 HH11 ARG A 13 -11.351 5.128 -5.173 1.00 14.23 H new ATOM 0 HH12 ARG A 13 -12.751 6.185 -5.378 1.00 14.23 H new ATOM 0 HH21 ARG A 13 -13.159 5.440 -8.792 1.00 20.34 H new ATOM 0 HH22 ARG A 13 -13.767 6.361 -7.412 1.00 20.34 H new ATOM 238 N VAL A 14 -10.281 0.472 -11.627 1.00 5.41 N ATOM 239 CA VAL A 14 -10.419 0.417 -13.073 1.00 1.43 C ATOM 240 C VAL A 14 -11.682 -0.372 -13.440 1.00 11.24 C ATOM 241 O VAL A 14 -12.515 0.086 -14.240 1.00 54.21 O ATOM 242 CB VAL A 14 -9.180 -0.253 -13.739 1.00 23.42 C ATOM 243 CG1 VAL A 14 -9.377 -0.423 -15.235 1.00 0.12 C ATOM 244 CG2 VAL A 14 -7.922 0.548 -13.471 1.00 53.24 C ATOM 0 H VAL A 14 -9.834 -0.352 -11.224 1.00 5.41 H new ATOM 0 HA VAL A 14 -10.494 1.440 -13.443 1.00 1.43 H new ATOM 0 HB VAL A 14 -9.069 -1.242 -13.294 1.00 23.42 H new ATOM 0 HG11 VAL A 14 -8.494 -0.893 -15.667 1.00 0.12 H new ATOM 0 HG12 VAL A 14 -10.249 -1.051 -15.418 1.00 0.12 H new ATOM 0 HG13 VAL A 14 -9.530 0.553 -15.695 1.00 0.12 H new ATOM 0 HG21 VAL A 14 -7.071 0.059 -13.946 1.00 53.24 H new ATOM 0 HG22 VAL A 14 -8.037 1.553 -13.877 1.00 53.24 H new ATOM 0 HG23 VAL A 14 -7.751 0.609 -12.396 1.00 53.24 H new ATOM 254 N LEU A 15 -11.823 -1.535 -12.826 1.00 65.31 N ATOM 255 CA LEU A 15 -12.927 -2.443 -13.088 1.00 62.11 C ATOM 256 C LEU A 15 -14.272 -1.841 -12.774 1.00 51.34 C ATOM 257 O LEU A 15 -15.169 -1.906 -13.601 1.00 32.34 O ATOM 258 CB LEU A 15 -12.749 -3.781 -12.360 1.00 31.24 C ATOM 259 CG LEU A 15 -11.519 -4.612 -12.748 1.00 2.12 C ATOM 260 CD1 LEU A 15 -11.457 -5.879 -11.918 1.00 61.42 C ATOM 261 CD2 LEU A 15 -11.533 -4.955 -14.234 1.00 74.30 C ATOM 0 H LEU A 15 -11.167 -1.879 -12.124 1.00 65.31 H new ATOM 0 HA LEU A 15 -12.906 -2.632 -14.161 1.00 62.11 H new ATOM 0 HB2 LEU A 15 -12.703 -3.583 -11.289 1.00 31.24 H new ATOM 0 HB3 LEU A 15 -13.639 -4.386 -12.535 1.00 31.24 H new ATOM 0 HG LEU A 15 -10.631 -4.013 -12.547 1.00 2.12 H new ATOM 0 HD11 LEU A 15 -10.579 -6.459 -12.204 1.00 61.42 H new ATOM 0 HD12 LEU A 15 -11.392 -5.619 -10.861 1.00 61.42 H new ATOM 0 HD13 LEU A 15 -12.355 -6.472 -12.091 1.00 61.42 H new ATOM 0 HD21 LEU A 15 -10.649 -5.544 -14.480 1.00 74.30 H new ATOM 0 HD22 LEU A 15 -12.429 -5.531 -14.466 1.00 74.30 H new ATOM 0 HD23 LEU A 15 -11.531 -4.036 -14.820 1.00 74.30 H new ATOM 273 N ARG A 16 -14.390 -1.211 -11.618 1.00 44.12 N ATOM 274 CA ARG A 16 -15.683 -0.635 -11.182 1.00 64.40 C ATOM 275 C ARG A 16 -16.326 0.314 -12.218 1.00 31.45 C ATOM 276 O ARG A 16 -17.457 0.047 -12.665 1.00 24.12 O ATOM 277 CB ARG A 16 -15.639 0.037 -9.800 1.00 3.43 C ATOM 278 CG ARG A 16 -15.344 -0.884 -8.646 1.00 75.11 C ATOM 279 CD ARG A 16 -15.581 -0.178 -7.327 1.00 30.11 C ATOM 280 NE ARG A 16 -15.261 -1.028 -6.185 1.00 44.22 N ATOM 281 CZ ARG A 16 -16.149 -1.746 -5.484 1.00 61.42 C ATOM 282 NH1 ARG A 16 -17.434 -1.753 -5.829 1.00 70.43 N ATOM 283 NH2 ARG A 16 -15.747 -2.469 -4.449 1.00 35.21 N ATOM 0 H ARG A 16 -13.623 -1.078 -10.959 1.00 44.12 H new ATOM 0 HA ARG A 16 -16.325 -1.511 -11.095 1.00 64.40 H new ATOM 0 HB2 ARG A 16 -14.883 0.822 -9.820 1.00 3.43 H new ATOM 0 HB3 ARG A 16 -16.598 0.523 -9.620 1.00 3.43 H new ATOM 0 HG2 ARG A 16 -15.976 -1.770 -8.710 1.00 75.11 H new ATOM 0 HG3 ARG A 16 -14.310 -1.226 -8.701 1.00 75.11 H new ATOM 0 HD2 ARG A 16 -14.974 0.727 -7.286 1.00 30.11 H new ATOM 0 HD3 ARG A 16 -16.624 0.134 -7.265 1.00 30.11 H new ATOM 0 HE ARG A 16 -14.284 -1.080 -5.897 1.00 44.22 H new ATOM 0 HH11 ARG A 16 -17.749 -1.209 -6.632 1.00 70.43 H new ATOM 0 HH12 ARG A 16 -18.104 -2.302 -5.290 1.00 70.43 H new ATOM 0 HH21 ARG A 16 -14.762 -2.479 -4.186 1.00 35.21 H new ATOM 0 HH22 ARG A 16 -16.423 -3.016 -3.915 1.00 35.21 H new ATOM 297 N PRO A 17 -15.631 1.401 -12.674 1.00 74.53 N ATOM 298 CA PRO A 17 -16.217 2.340 -13.616 1.00 1.00 C ATOM 299 C PRO A 17 -16.453 1.672 -14.948 1.00 21.42 C ATOM 300 O PRO A 17 -17.496 1.878 -15.592 1.00 52.55 O ATOM 301 CB PRO A 17 -15.166 3.457 -13.749 1.00 21.20 C ATOM 302 CG PRO A 17 -14.231 3.240 -12.617 1.00 71.54 C ATOM 303 CD PRO A 17 -14.247 1.772 -12.366 1.00 44.32 C ATOM 0 HA PRO A 17 -17.183 2.718 -13.282 1.00 1.00 H new ATOM 0 HB2 PRO A 17 -14.647 3.399 -14.706 1.00 21.20 H new ATOM 0 HB3 PRO A 17 -15.628 4.443 -13.696 1.00 21.20 H new ATOM 0 HG2 PRO A 17 -13.227 3.585 -12.865 1.00 71.54 H new ATOM 0 HG3 PRO A 17 -14.549 3.793 -11.733 1.00 71.54 H new ATOM 0 HD2 PRO A 17 -13.536 1.246 -13.003 1.00 44.32 H new ATOM 0 HD3 PRO A 17 -13.986 1.536 -11.334 1.00 44.32 H new ATOM 311 N LEU A 18 -15.521 0.809 -15.335 1.00 2.34 N ATOM 312 CA LEU A 18 -15.651 0.122 -16.570 1.00 21.41 C ATOM 313 C LEU A 18 -16.822 -0.787 -16.589 1.00 23.13 C ATOM 314 O LEU A 18 -17.477 -0.845 -17.557 1.00 11.13 O ATOM 315 CB LEU A 18 -14.449 -0.652 -16.944 1.00 30.02 C ATOM 316 CG LEU A 18 -13.201 0.144 -17.301 1.00 2.10 C ATOM 317 CD1 LEU A 18 -12.128 -0.788 -17.772 1.00 24.43 C ATOM 318 CD2 LEU A 18 -13.493 1.194 -18.361 1.00 3.12 C ATOM 0 H LEU A 18 -14.681 0.584 -14.802 1.00 2.34 H new ATOM 0 HA LEU A 18 -15.791 0.915 -17.304 1.00 21.41 H new ATOM 0 HB2 LEU A 18 -14.202 -1.317 -16.116 1.00 30.02 H new ATOM 0 HB3 LEU A 18 -14.703 -1.284 -17.795 1.00 30.02 H new ATOM 0 HG LEU A 18 -12.862 0.667 -16.407 1.00 2.10 H new ATOM 0 HD11 LEU A 18 -11.236 -0.216 -18.027 1.00 24.43 H new ATOM 0 HD12 LEU A 18 -11.890 -1.498 -16.980 1.00 24.43 H new ATOM 0 HD13 LEU A 18 -12.476 -1.329 -18.652 1.00 24.43 H new ATOM 0 HD21 LEU A 18 -12.580 1.743 -18.591 1.00 3.12 H new ATOM 0 HD22 LEU A 18 -13.861 0.707 -19.264 1.00 3.12 H new ATOM 0 HD23 LEU A 18 -14.248 1.886 -17.989 1.00 3.12 H new ATOM 330 N LYS A 19 -17.093 -1.499 -15.506 1.00 74.13 N ATOM 331 CA LYS A 19 -18.243 -2.401 -15.485 1.00 20.31 C ATOM 332 C LYS A 19 -19.523 -1.657 -15.408 1.00 20.44 C ATOM 333 O LYS A 19 -20.583 -2.184 -15.729 1.00 21.42 O ATOM 334 CB LYS A 19 -18.149 -3.516 -14.428 1.00 62.32 C ATOM 335 CG LYS A 19 -16.866 -4.349 -14.486 1.00 42.12 C ATOM 336 CD LYS A 19 -16.375 -4.509 -15.907 1.00 62.23 C ATOM 337 CE LYS A 19 -15.239 -5.509 -16.015 1.00 12.44 C ATOM 338 NZ LYS A 19 -15.681 -6.893 -15.745 1.00 5.41 N ATOM 0 H LYS A 19 -16.547 -1.475 -14.645 1.00 74.13 H new ATOM 0 HA LYS A 19 -18.222 -2.922 -16.442 1.00 20.31 H new ATOM 0 HB2 LYS A 19 -18.229 -3.067 -13.438 1.00 62.32 H new ATOM 0 HB3 LYS A 19 -19.004 -4.182 -14.546 1.00 62.32 H new ATOM 0 HG2 LYS A 19 -16.093 -3.871 -13.884 1.00 42.12 H new ATOM 0 HG3 LYS A 19 -17.048 -5.331 -14.050 1.00 42.12 H new ATOM 0 HD2 LYS A 19 -17.201 -4.832 -16.540 1.00 62.23 H new ATOM 0 HD3 LYS A 19 -16.042 -3.542 -16.285 1.00 62.23 H new ATOM 0 HE2 LYS A 19 -14.806 -5.457 -17.014 1.00 12.44 H new ATOM 0 HE3 LYS A 19 -14.452 -5.238 -15.312 1.00 12.44 H new ATOM 0 HZ1 LYS A 19 -14.946 -7.559 -16.057 1.00 5.41 H new ATOM 0 HZ2 LYS A 19 -15.846 -7.012 -14.725 1.00 5.41 H new ATOM 0 HZ3 LYS A 19 -16.563 -7.083 -16.263 1.00 5.41 H new ATOM 352 N THR A 20 -19.441 -0.432 -15.032 1.00 14.04 N ATOM 353 CA THR A 20 -20.593 0.384 -15.050 1.00 35.32 C ATOM 354 C THR A 20 -20.945 0.743 -16.523 1.00 62.24 C ATOM 355 O THR A 20 -22.114 0.892 -16.888 1.00 54.41 O ATOM 356 CB THR A 20 -20.389 1.636 -14.217 1.00 60.45 C ATOM 357 OG1 THR A 20 -19.888 1.266 -12.912 1.00 33.22 O ATOM 358 CG2 THR A 20 -21.707 2.305 -14.049 1.00 3.30 C ATOM 0 H THR A 20 -18.588 0.024 -14.709 1.00 14.04 H new ATOM 0 HA THR A 20 -21.425 -0.165 -14.608 1.00 35.32 H new ATOM 0 HB THR A 20 -19.679 2.301 -14.709 1.00 60.45 H new ATOM 0 HG1 THR A 20 -18.951 0.990 -12.988 1.00 33.22 H new ATOM 0 HG21 THR A 20 -21.583 3.209 -13.452 1.00 3.30 H new ATOM 0 HG22 THR A 20 -22.109 2.569 -15.027 1.00 3.30 H new ATOM 0 HG23 THR A 20 -22.397 1.629 -13.544 1.00 3.30 H new ATOM 366 N ILE A 21 -19.922 0.831 -17.355 1.00 61.24 N ATOM 367 CA ILE A 21 -20.098 1.095 -18.782 1.00 12.21 C ATOM 368 C ILE A 21 -20.330 -0.219 -19.514 1.00 23.05 C ATOM 369 O ILE A 21 -21.362 -0.440 -20.141 1.00 35.43 O ATOM 370 CB ILE A 21 -18.833 1.732 -19.382 1.00 4.20 C ATOM 371 CG1 ILE A 21 -18.387 2.931 -18.569 1.00 71.33 C ATOM 372 CG2 ILE A 21 -19.081 2.142 -20.834 1.00 2.34 C ATOM 373 CD1 ILE A 21 -17.005 3.382 -18.930 1.00 64.24 C ATOM 0 H ILE A 21 -18.949 0.723 -17.068 1.00 61.24 H new ATOM 0 HA ILE A 21 -20.946 1.771 -18.895 1.00 12.21 H new ATOM 0 HB ILE A 21 -18.037 0.988 -19.355 1.00 4.20 H new ATOM 0 HG12 ILE A 21 -19.087 3.752 -18.724 1.00 71.33 H new ATOM 0 HG13 ILE A 21 -18.419 2.680 -17.509 1.00 71.33 H new ATOM 0 HG21 ILE A 21 -18.177 2.591 -21.245 1.00 2.34 H new ATOM 0 HG22 ILE A 21 -19.348 1.262 -21.420 1.00 2.34 H new ATOM 0 HG23 ILE A 21 -19.896 2.865 -20.874 1.00 2.34 H new ATOM 0 HD11 ILE A 21 -16.732 4.243 -18.320 1.00 64.24 H new ATOM 0 HD12 ILE A 21 -16.299 2.571 -18.750 1.00 64.24 H new ATOM 0 HD13 ILE A 21 -16.977 3.660 -19.984 1.00 64.24 H new ATOM 385 N LYS A 22 -19.345 -1.074 -19.410 1.00 63.12 N ATOM 386 CA LYS A 22 -19.305 -2.381 -20.047 1.00 54.34 C ATOM 387 C LYS A 22 -20.529 -3.277 -19.741 1.00 64.14 C ATOM 388 O LYS A 22 -20.782 -4.217 -20.483 1.00 21.24 O ATOM 389 CB LYS A 22 -18.011 -3.099 -19.667 1.00 32.43 C ATOM 390 CG LYS A 22 -17.275 -3.716 -20.839 1.00 72.12 C ATOM 391 CD LYS A 22 -16.815 -2.651 -21.833 1.00 73.24 C ATOM 392 CE LYS A 22 -16.023 -3.266 -22.976 1.00 64.45 C ATOM 393 NZ LYS A 22 -15.663 -2.271 -24.009 1.00 40.23 N ATOM 0 H LYS A 22 -18.510 -0.877 -18.858 1.00 63.12 H new ATOM 0 HA LYS A 22 -19.340 -2.198 -21.121 1.00 54.34 H new ATOM 0 HB2 LYS A 22 -17.349 -2.391 -19.169 1.00 32.43 H new ATOM 0 HB3 LYS A 22 -18.242 -3.882 -18.945 1.00 32.43 H new ATOM 0 HG2 LYS A 22 -16.412 -4.273 -20.475 1.00 72.12 H new ATOM 0 HG3 LYS A 22 -17.926 -4.430 -21.344 1.00 72.12 H new ATOM 0 HD2 LYS A 22 -17.682 -2.124 -22.231 1.00 73.24 H new ATOM 0 HD3 LYS A 22 -16.201 -1.912 -21.319 1.00 73.24 H new ATOM 0 HE2 LYS A 22 -15.115 -3.722 -22.582 1.00 64.45 H new ATOM 0 HE3 LYS A 22 -16.608 -4.064 -23.432 1.00 64.45 H new ATOM 0 HZ1 LYS A 22 -15.124 -2.737 -24.767 1.00 40.23 H new ATOM 0 HZ2 LYS A 22 -16.529 -1.854 -24.406 1.00 40.23 H new ATOM 0 HZ3 LYS A 22 -15.082 -1.522 -23.582 1.00 40.23 H new ATOM 407 N ARG A 23 -21.291 -2.990 -18.671 1.00 65.33 N ATOM 408 CA ARG A 23 -22.505 -3.781 -18.354 1.00 55.31 C ATOM 409 C ARG A 23 -23.581 -3.666 -19.446 1.00 33.13 C ATOM 410 O ARG A 23 -24.572 -4.404 -19.432 1.00 54.41 O ATOM 411 CB ARG A 23 -23.109 -3.396 -16.999 1.00 60.12 C ATOM 412 CG ARG A 23 -23.609 -1.964 -16.924 1.00 20.25 C ATOM 413 CD ARG A 23 -24.208 -1.649 -15.568 1.00 24.33 C ATOM 414 NE ARG A 23 -23.246 -1.796 -14.465 1.00 44.55 N ATOM 415 CZ ARG A 23 -23.578 -1.729 -13.163 1.00 53.14 C ATOM 416 NH1 ARG A 23 -24.853 -1.600 -12.805 1.00 34.43 N ATOM 417 NH2 ARG A 23 -22.643 -1.813 -12.230 1.00 62.00 N ATOM 0 H ARG A 23 -21.097 -2.231 -18.018 1.00 65.33 H new ATOM 0 HA ARG A 23 -22.173 -4.818 -18.306 1.00 55.31 H new ATOM 0 HB2 ARG A 23 -23.937 -4.070 -16.778 1.00 60.12 H new ATOM 0 HB3 ARG A 23 -22.359 -3.548 -16.223 1.00 60.12 H new ATOM 0 HG2 ARG A 23 -22.785 -1.280 -17.125 1.00 20.25 H new ATOM 0 HG3 ARG A 23 -24.357 -1.799 -17.699 1.00 20.25 H new ATOM 0 HD2 ARG A 23 -24.591 -0.629 -15.575 1.00 24.33 H new ATOM 0 HD3 ARG A 23 -25.058 -2.308 -15.391 1.00 24.33 H new ATOM 0 HE ARG A 23 -22.267 -1.959 -14.702 1.00 44.55 H new ATOM 0 HH11 ARG A 23 -25.581 -1.552 -13.518 1.00 34.43 H new ATOM 0 HH12 ARG A 23 -25.103 -1.549 -11.817 1.00 34.43 H new ATOM 0 HH21 ARG A 23 -21.665 -1.929 -12.497 1.00 62.00 H new ATOM 0 HH22 ARG A 23 -22.900 -1.762 -11.244 1.00 62.00 H new ATOM 431 N LEU A 24 -23.419 -2.726 -20.359 1.00 23.24 N ATOM 432 CA LEU A 24 -24.349 -2.613 -21.455 1.00 60.21 C ATOM 433 C LEU A 24 -23.948 -3.514 -22.653 1.00 72.21 C ATOM 434 O LEU A 24 -24.715 -4.421 -23.010 1.00 14.12 O ATOM 435 CB LEU A 24 -24.643 -1.142 -21.889 1.00 72.22 C ATOM 436 CG LEU A 24 -25.353 -0.217 -20.874 1.00 62.31 C ATOM 437 CD1 LEU A 24 -26.554 -0.895 -20.244 1.00 22.42 C ATOM 438 CD2 LEU A 24 -24.404 0.326 -19.819 1.00 44.23 C ATOM 0 H LEU A 24 -22.663 -2.042 -20.360 1.00 23.24 H new ATOM 0 HA LEU A 24 -25.297 -2.988 -21.071 1.00 60.21 H new ATOM 0 HB2 LEU A 24 -23.695 -0.677 -22.159 1.00 72.22 H new ATOM 0 HB3 LEU A 24 -25.251 -1.175 -22.793 1.00 72.22 H new ATOM 0 HG LEU A 24 -25.717 0.641 -21.439 1.00 62.31 H new ATOM 0 HD11 LEU A 24 -27.027 -0.214 -19.536 1.00 22.42 H new ATOM 0 HD12 LEU A 24 -27.269 -1.164 -21.021 1.00 22.42 H new ATOM 0 HD13 LEU A 24 -26.231 -1.795 -19.721 1.00 22.42 H new ATOM 0 HD21 LEU A 24 -24.954 0.969 -19.132 1.00 44.23 H new ATOM 0 HD22 LEU A 24 -23.962 -0.503 -19.266 1.00 44.23 H new ATOM 0 HD23 LEU A 24 -23.614 0.902 -20.302 1.00 44.23 H new ATOM 450 N PRO A 25 -22.742 -3.322 -23.288 1.00 15.41 N ATOM 451 CA PRO A 25 -22.335 -4.133 -24.457 1.00 42.41 C ATOM 452 C PRO A 25 -21.832 -5.527 -24.096 1.00 50.44 C ATOM 453 O PRO A 25 -21.557 -6.353 -24.963 1.00 65.42 O ATOM 454 CB PRO A 25 -21.236 -3.298 -25.098 1.00 33.22 C ATOM 455 CG PRO A 25 -20.593 -2.611 -23.943 1.00 22.13 C ATOM 456 CD PRO A 25 -21.710 -2.294 -22.980 1.00 61.32 C ATOM 0 HA PRO A 25 -23.180 -4.332 -25.116 1.00 42.41 H new ATOM 0 HB2 PRO A 25 -20.524 -3.921 -25.640 1.00 33.22 H new ATOM 0 HB3 PRO A 25 -21.642 -2.583 -25.813 1.00 33.22 H new ATOM 0 HG2 PRO A 25 -19.843 -3.250 -23.476 1.00 22.13 H new ATOM 0 HG3 PRO A 25 -20.083 -1.702 -24.263 1.00 22.13 H new ATOM 0 HD2 PRO A 25 -21.377 -2.359 -21.944 1.00 61.32 H new ATOM 0 HD3 PRO A 25 -22.093 -1.284 -23.129 1.00 61.32 H new ATOM 464 N LYS A 26 -21.730 -5.762 -22.846 1.00 64.13 N ATOM 465 CA LYS A 26 -21.290 -7.034 -22.310 1.00 15.22 C ATOM 466 C LYS A 26 -22.178 -7.454 -21.169 1.00 64.41 C ATOM 467 O LYS A 26 -22.952 -6.652 -20.656 1.00 10.44 O ATOM 468 CB LYS A 26 -19.825 -7.007 -21.835 1.00 73.44 C ATOM 469 CG LYS A 26 -18.776 -6.959 -22.936 1.00 52.23 C ATOM 470 CD LYS A 26 -17.350 -7.019 -22.367 1.00 12.33 C ATOM 471 CE LYS A 26 -17.108 -8.275 -21.526 1.00 5.12 C ATOM 472 NZ LYS A 26 -17.334 -9.519 -22.294 1.00 64.23 N ATOM 0 H LYS A 26 -21.951 -5.071 -22.129 1.00 64.13 H new ATOM 0 HA LYS A 26 -21.357 -7.755 -23.124 1.00 15.22 H new ATOM 0 HB2 LYS A 26 -19.687 -6.140 -21.189 1.00 73.44 H new ATOM 0 HB3 LYS A 26 -19.644 -7.891 -21.224 1.00 73.44 H new ATOM 0 HG2 LYS A 26 -18.930 -7.793 -23.621 1.00 52.23 H new ATOM 0 HG3 LYS A 26 -18.898 -6.044 -23.515 1.00 52.23 H new ATOM 0 HD2 LYS A 26 -16.633 -6.991 -23.188 1.00 12.33 H new ATOM 0 HD3 LYS A 26 -17.169 -6.135 -21.755 1.00 12.33 H new ATOM 0 HE2 LYS A 26 -16.086 -8.265 -21.148 1.00 5.12 H new ATOM 0 HE3 LYS A 26 -17.768 -8.261 -20.659 1.00 5.12 H new ATOM 0 HZ1 LYS A 26 -17.077 -10.340 -21.709 1.00 64.23 H new ATOM 0 HZ2 LYS A 26 -18.337 -9.585 -22.561 1.00 64.23 H new ATOM 0 HZ3 LYS A 26 -16.747 -9.508 -23.153 1.00 64.23 H new ATOM 486 N LEU A 27 -22.045 -8.693 -20.773 1.00 41.41 N ATOM 487 CA LEU A 27 -22.814 -9.269 -19.698 1.00 43.33 C ATOM 488 C LEU A 27 -21.890 -9.939 -18.686 1.00 34.22 C ATOM 489 O LEU A 27 -20.674 -9.740 -18.745 1.00 63.03 O ATOM 490 CB LEU A 27 -23.893 -10.207 -20.267 1.00 70.22 C ATOM 491 CG LEU A 27 -23.437 -11.213 -21.307 1.00 14.53 C ATOM 492 CD1 LEU A 27 -22.670 -12.361 -20.692 1.00 71.43 C ATOM 493 CD2 LEU A 27 -24.598 -11.694 -22.130 1.00 0.42 C ATOM 0 H LEU A 27 -21.385 -9.345 -21.197 1.00 41.41 H new ATOM 0 HA LEU A 27 -23.342 -8.486 -19.153 1.00 43.33 H new ATOM 0 HB2 LEU A 27 -24.341 -10.754 -19.437 1.00 70.22 H new ATOM 0 HB3 LEU A 27 -24.680 -9.594 -20.707 1.00 70.22 H new ATOM 0 HG LEU A 27 -22.743 -10.702 -21.975 1.00 14.53 H new ATOM 0 HD11 LEU A 27 -22.364 -13.055 -21.475 1.00 71.43 H new ATOM 0 HD12 LEU A 27 -21.786 -11.977 -20.182 1.00 71.43 H new ATOM 0 HD13 LEU A 27 -23.305 -12.880 -19.975 1.00 71.43 H new ATOM 0 HD21 LEU A 27 -24.247 -12.414 -22.869 1.00 0.42 H new ATOM 0 HD22 LEU A 27 -25.332 -12.170 -21.480 1.00 0.42 H new ATOM 0 HD23 LEU A 27 -25.059 -10.847 -22.639 1.00 0.42 H new ATOM 505 N LYS A 28 -22.433 -10.700 -17.766 1.00 14.22 N ATOM 506 CA LYS A 28 -21.620 -11.358 -16.772 1.00 64.41 C ATOM 507 C LYS A 28 -21.775 -12.882 -16.753 1.00 74.14 C ATOM 508 O LYS A 28 -22.821 -13.407 -16.323 1.00 62.34 O ATOM 509 CB LYS A 28 -21.684 -10.673 -15.373 1.00 14.24 C ATOM 510 CG LYS A 28 -23.047 -10.145 -14.914 1.00 52.12 C ATOM 511 CD LYS A 28 -24.040 -11.238 -14.649 1.00 74.12 C ATOM 512 CE LYS A 28 -25.357 -10.683 -14.181 1.00 74.25 C ATOM 513 NZ LYS A 28 -26.320 -11.756 -13.883 1.00 43.22 N ATOM 514 OXT LYS A 28 -20.820 -13.575 -17.161 1.00 0.00 O ATOM 0 H LYS A 28 -23.434 -10.879 -17.685 1.00 14.22 H new ATOM 0 HA LYS A 28 -20.589 -11.213 -17.095 1.00 64.41 H new ATOM 0 HB2 LYS A 28 -21.331 -11.388 -14.630 1.00 14.24 H new ATOM 0 HB3 LYS A 28 -20.981 -9.840 -15.372 1.00 14.24 H new ATOM 0 HG2 LYS A 28 -22.915 -9.554 -14.008 1.00 52.12 H new ATOM 0 HG3 LYS A 28 -23.446 -9.476 -15.676 1.00 52.12 H new ATOM 0 HD2 LYS A 28 -24.192 -11.821 -15.557 1.00 74.12 H new ATOM 0 HD3 LYS A 28 -23.642 -11.918 -13.896 1.00 74.12 H new ATOM 0 HE2 LYS A 28 -25.201 -10.075 -13.290 1.00 74.25 H new ATOM 0 HE3 LYS A 28 -25.769 -10.026 -14.947 1.00 74.25 H new ATOM 0 HZ1 LYS A 28 -27.217 -11.338 -13.563 1.00 43.22 H new ATOM 0 HZ2 LYS A 28 -26.487 -12.320 -14.740 1.00 43.22 H new ATOM 0 HZ3 LYS A 28 -25.937 -12.368 -13.135 1.00 43.22 H new TER 528 LYS A 28