USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=6 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+ -117:sc= 0.152 (180deg=-0.0663) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc=-0.00972 X(o=-0.0097,f=0) USER MOD Single : A 5 THR OG1 : rot 171:sc= -0.506! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0424) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00425 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= -0.172 (180deg=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.295 -8.642 -0.186 1.00 53.43 N ATOM 2 CA LYS A 1 3.457 -7.251 0.230 1.00 65.23 C ATOM 3 C LYS A 1 2.495 -6.363 -0.530 1.00 61.05 C ATOM 4 O LYS A 1 1.795 -6.828 -1.442 1.00 15.14 O ATOM 5 CB LYS A 1 4.898 -6.770 0.062 1.00 13.33 C ATOM 6 CG LYS A 1 5.884 -7.441 1.000 1.00 32.34 C ATOM 7 CD LYS A 1 7.312 -6.960 0.778 1.00 22.25 C ATOM 8 CE LYS A 1 7.493 -5.465 1.054 1.00 42.40 C ATOM 9 NZ LYS A 1 8.892 -5.024 0.825 1.00 71.04 N ATOM 0 H1 LYS A 1 2.976 -9.211 0.623 1.00 53.43 H new ATOM 0 H2 LYS A 1 2.589 -8.697 -0.948 1.00 53.43 H new ATOM 0 H3 LYS A 1 4.205 -9.010 -0.530 1.00 53.43 H new ATOM 0 HA LYS A 1 3.224 -7.191 1.293 1.00 65.23 H new ATOM 0 HB2 LYS A 1 5.212 -6.947 -0.967 1.00 13.33 H new ATOM 0 HB3 LYS A 1 4.932 -5.693 0.225 1.00 13.33 H new ATOM 0 HG2 LYS A 1 5.593 -7.244 2.032 1.00 32.34 H new ATOM 0 HG3 LYS A 1 5.840 -8.521 0.858 1.00 32.34 H new ATOM 0 HD2 LYS A 1 7.984 -7.526 1.423 1.00 22.25 H new ATOM 0 HD3 LYS A 1 7.604 -7.171 -0.251 1.00 22.25 H new ATOM 0 HE2 LYS A 1 6.823 -4.894 0.412 1.00 42.40 H new ATOM 0 HE3 LYS A 1 7.208 -5.249 2.084 1.00 42.40 H new ATOM 0 HZ1 LYS A 1 8.972 -4.006 1.023 1.00 71.04 H new ATOM 0 HZ2 LYS A 1 9.530 -5.550 1.456 1.00 71.04 H new ATOM 0 HZ3 LYS A 1 9.156 -5.206 -0.164 1.00 71.04 H new ATOM 25 N ASP A 2 2.505 -5.087 -0.204 1.00 45.21 N ATOM 26 CA ASP A 2 1.523 -4.126 -0.715 1.00 3.44 C ATOM 27 C ASP A 2 1.606 -3.814 -2.175 1.00 52.12 C ATOM 28 O ASP A 2 0.700 -3.192 -2.715 1.00 33.35 O ATOM 29 CB ASP A 2 1.406 -2.860 0.122 1.00 5.43 C ATOM 30 CG ASP A 2 0.622 -3.098 1.378 1.00 25.02 C ATOM 31 OD1 ASP A 2 -0.622 -3.174 1.308 1.00 75.32 O ATOM 32 OD2 ASP A 2 1.226 -3.224 2.470 1.00 11.34 O ATOM 0 H ASP A 2 3.194 -4.676 0.425 1.00 45.21 H new ATOM 0 HA ASP A 2 0.591 -4.679 -0.603 1.00 3.44 H new ATOM 0 HB2 ASP A 2 2.402 -2.499 0.377 1.00 5.43 H new ATOM 0 HB3 ASP A 2 0.924 -2.078 -0.465 1.00 5.43 H new ATOM 37 N ILE A 3 2.650 -4.241 -2.838 1.00 24.02 N ATOM 38 CA ILE A 3 2.708 -4.110 -4.239 1.00 1.02 C ATOM 39 C ILE A 3 1.655 -4.993 -4.929 1.00 12.01 C ATOM 40 O ILE A 3 1.267 -4.745 -6.068 1.00 10.25 O ATOM 41 CB ILE A 3 4.140 -4.289 -4.794 1.00 73.52 C ATOM 42 CG1 ILE A 3 4.886 -5.527 -4.233 1.00 12.12 C ATOM 43 CG2 ILE A 3 4.953 -3.020 -4.599 1.00 31.14 C ATOM 44 CD1 ILE A 3 4.366 -6.857 -4.717 1.00 62.33 C ATOM 0 H ILE A 3 3.466 -4.682 -2.412 1.00 24.02 H new ATOM 0 HA ILE A 3 2.445 -3.081 -4.485 1.00 1.02 H new ATOM 0 HB ILE A 3 4.027 -4.480 -5.861 1.00 73.52 H new ATOM 0 HG12 ILE A 3 5.940 -5.448 -4.498 1.00 12.12 H new ATOM 0 HG13 ILE A 3 4.828 -5.505 -3.145 1.00 12.12 H new ATOM 0 HG21 ILE A 3 5.957 -3.167 -4.996 1.00 31.14 H new ATOM 0 HG22 ILE A 3 4.472 -2.195 -5.125 1.00 31.14 H new ATOM 0 HG23 ILE A 3 5.014 -2.787 -3.536 1.00 31.14 H new ATOM 0 HD11 ILE A 3 4.951 -7.661 -4.270 1.00 62.33 H new ATOM 0 HD12 ILE A 3 3.320 -6.966 -4.429 1.00 62.33 H new ATOM 0 HD13 ILE A 3 4.450 -6.907 -5.803 1.00 62.33 H new ATOM 56 N ASN A 4 1.166 -6.005 -4.209 1.00 51.51 N ATOM 57 CA ASN A 4 0.070 -6.825 -4.702 1.00 52.44 C ATOM 58 C ASN A 4 -1.226 -6.118 -4.368 1.00 23.41 C ATOM 59 O ASN A 4 -2.201 -6.188 -5.106 1.00 63.21 O ATOM 60 CB ASN A 4 0.073 -8.231 -4.086 1.00 3.14 C ATOM 61 CG ASN A 4 -0.977 -9.140 -4.722 1.00 4.21 C ATOM 62 OD1 ASN A 4 -0.701 -9.813 -5.718 1.00 62.45 O ATOM 63 ND2 ASN A 4 -2.162 -9.178 -4.171 1.00 74.32 N ATOM 0 H ASN A 4 1.513 -6.271 -3.288 1.00 51.51 H new ATOM 0 HA ASN A 4 0.183 -6.954 -5.778 1.00 52.44 H new ATOM 0 HB2 ASN A 4 1.060 -8.677 -4.208 1.00 3.14 H new ATOM 0 HB3 ASN A 4 -0.113 -8.157 -3.015 1.00 3.14 H new ATOM 0 HD21 ASN A 4 -2.888 -9.776 -4.565 1.00 74.32 H new ATOM 0 HD22 ASN A 4 -2.360 -8.610 -3.348 1.00 74.32 H new ATOM 70 N THR A 5 -1.208 -5.377 -3.273 1.00 34.15 N ATOM 71 CA THR A 5 -2.344 -4.595 -2.865 1.00 10.22 C ATOM 72 C THR A 5 -2.600 -3.502 -3.916 1.00 20.20 C ATOM 73 O THR A 5 -3.717 -3.068 -4.111 1.00 4.11 O ATOM 74 CB THR A 5 -2.088 -3.951 -1.498 1.00 3.05 C ATOM 75 OG1 THR A 5 -1.532 -4.936 -0.598 1.00 5.14 O ATOM 76 CG2 THR A 5 -3.380 -3.413 -0.901 1.00 13.24 C ATOM 0 H THR A 5 -0.404 -5.306 -2.649 1.00 34.15 H new ATOM 0 HA THR A 5 -3.216 -5.243 -2.782 1.00 10.22 H new ATOM 0 HB THR A 5 -1.390 -3.125 -1.634 1.00 3.05 H new ATOM 0 HG1 THR A 5 -1.227 -4.495 0.222 1.00 5.14 H new ATOM 0 HG21 THR A 5 -3.172 -2.961 0.069 1.00 13.24 H new ATOM 0 HG22 THR A 5 -3.804 -2.662 -1.568 1.00 13.24 H new ATOM 0 HG23 THR A 5 -4.091 -4.230 -0.776 1.00 13.24 H new ATOM 84 N ILE A 6 -1.557 -3.108 -4.632 1.00 73.44 N ATOM 85 CA ILE A 6 -1.699 -2.142 -5.714 1.00 72.34 C ATOM 86 C ILE A 6 -2.477 -2.767 -6.870 1.00 44.42 C ATOM 87 O ILE A 6 -3.211 -2.084 -7.591 1.00 23.30 O ATOM 88 CB ILE A 6 -0.324 -1.574 -6.173 1.00 14.10 C ATOM 89 CG1 ILE A 6 0.393 -0.951 -4.969 1.00 74.43 C ATOM 90 CG2 ILE A 6 -0.482 -0.542 -7.294 1.00 13.20 C ATOM 91 CD1 ILE A 6 -0.471 0.020 -4.180 1.00 43.01 C ATOM 0 H ILE A 6 -0.604 -3.441 -4.484 1.00 73.44 H new ATOM 0 HA ILE A 6 -2.267 -1.290 -5.341 1.00 72.34 H new ATOM 0 HB ILE A 6 0.271 -2.395 -6.573 1.00 14.10 H new ATOM 0 HG12 ILE A 6 0.729 -1.747 -4.305 1.00 74.43 H new ATOM 0 HG13 ILE A 6 1.285 -0.430 -5.318 1.00 74.43 H new ATOM 0 HG21 ILE A 6 0.500 -0.169 -7.586 1.00 13.20 H new ATOM 0 HG22 ILE A 6 -0.964 -1.009 -8.153 1.00 13.20 H new ATOM 0 HG23 ILE A 6 -1.095 0.288 -6.941 1.00 13.20 H new ATOM 0 HD11 ILE A 6 0.102 0.421 -3.344 1.00 43.01 H new ATOM 0 HD12 ILE A 6 -0.786 0.837 -4.829 1.00 43.01 H new ATOM 0 HD13 ILE A 6 -1.350 -0.501 -3.800 1.00 43.01 H new ATOM 103 N LYS A 7 -2.379 -4.081 -6.993 1.00 75.02 N ATOM 104 CA LYS A 7 -3.172 -4.797 -7.956 1.00 64.44 C ATOM 105 C LYS A 7 -4.591 -4.873 -7.441 1.00 13.51 C ATOM 106 O LYS A 7 -5.525 -4.971 -8.199 1.00 30.22 O ATOM 107 CB LYS A 7 -2.630 -6.209 -8.218 1.00 64.14 C ATOM 108 CG LYS A 7 -1.325 -6.275 -8.998 1.00 14.34 C ATOM 109 CD LYS A 7 -1.497 -5.705 -10.401 1.00 12.04 C ATOM 110 CE LYS A 7 -0.285 -5.972 -11.281 1.00 21.22 C ATOM 111 NZ LYS A 7 0.961 -5.368 -10.751 1.00 72.44 N ATOM 0 H LYS A 7 -1.756 -4.665 -6.435 1.00 75.02 H new ATOM 0 HA LYS A 7 -3.133 -4.263 -8.905 1.00 64.44 H new ATOM 0 HB2 LYS A 7 -2.486 -6.708 -7.260 1.00 64.14 H new ATOM 0 HB3 LYS A 7 -3.387 -6.775 -8.761 1.00 64.14 H new ATOM 0 HG2 LYS A 7 -0.552 -5.719 -8.468 1.00 14.34 H new ATOM 0 HG3 LYS A 7 -0.987 -7.309 -9.061 1.00 14.34 H new ATOM 0 HD2 LYS A 7 -2.383 -6.141 -10.863 1.00 12.04 H new ATOM 0 HD3 LYS A 7 -1.668 -4.630 -10.337 1.00 12.04 H new ATOM 0 HE2 LYS A 7 -0.146 -7.048 -11.381 1.00 21.22 H new ATOM 0 HE3 LYS A 7 -0.475 -5.581 -12.280 1.00 21.22 H new ATOM 0 HZ1 LYS A 7 1.751 -5.583 -11.392 1.00 72.44 H new ATOM 0 HZ2 LYS A 7 0.844 -4.337 -10.680 1.00 72.44 H new ATOM 0 HZ3 LYS A 7 1.163 -5.759 -9.809 1.00 72.44 H new ATOM 125 N SER A 8 -4.749 -4.798 -6.148 1.00 1.10 N ATOM 126 CA SER A 8 -6.070 -4.823 -5.568 1.00 52.04 C ATOM 127 C SER A 8 -6.734 -3.489 -5.844 1.00 52.43 C ATOM 128 O SER A 8 -7.865 -3.443 -6.306 1.00 44.23 O ATOM 129 CB SER A 8 -5.993 -5.133 -4.066 1.00 30.34 C ATOM 130 OG SER A 8 -7.272 -5.183 -3.454 1.00 11.21 O ATOM 0 H SER A 8 -3.986 -4.719 -5.476 1.00 1.10 H new ATOM 0 HA SER A 8 -6.670 -5.615 -6.016 1.00 52.04 H new ATOM 0 HB2 SER A 8 -5.487 -6.088 -3.921 1.00 30.34 H new ATOM 0 HB3 SER A 8 -5.387 -4.373 -3.572 1.00 30.34 H new ATOM 0 HG SER A 8 -7.171 -5.384 -2.500 1.00 11.21 H new ATOM 136 N LEU A 9 -6.001 -2.418 -5.604 1.00 40.21 N ATOM 137 CA LEU A 9 -6.465 -1.086 -5.900 1.00 64.03 C ATOM 138 C LEU A 9 -6.815 -0.950 -7.372 1.00 25.11 C ATOM 139 O LEU A 9 -7.981 -0.857 -7.717 1.00 73.10 O ATOM 140 CB LEU A 9 -5.419 -0.020 -5.505 1.00 32.42 C ATOM 141 CG LEU A 9 -5.411 0.482 -4.044 1.00 23.12 C ATOM 142 CD1 LEU A 9 -5.225 -0.634 -3.034 1.00 32.41 C ATOM 143 CD2 LEU A 9 -4.340 1.538 -3.862 1.00 43.14 C ATOM 0 H LEU A 9 -5.066 -2.453 -5.198 1.00 40.21 H new ATOM 0 HA LEU A 9 -7.363 -0.917 -5.306 1.00 64.03 H new ATOM 0 HB2 LEU A 9 -4.431 -0.424 -5.724 1.00 32.42 H new ATOM 0 HB3 LEU A 9 -5.561 0.844 -6.154 1.00 32.42 H new ATOM 0 HG LEU A 9 -6.393 0.915 -3.854 1.00 23.12 H new ATOM 0 HD11 LEU A 9 -5.228 -0.217 -2.027 1.00 32.41 H new ATOM 0 HD12 LEU A 9 -6.039 -1.353 -3.132 1.00 32.41 H new ATOM 0 HD13 LEU A 9 -4.274 -1.135 -3.216 1.00 32.41 H new ATOM 0 HD21 LEU A 9 -4.343 1.885 -2.829 1.00 43.14 H new ATOM 0 HD22 LEU A 9 -3.365 1.112 -4.099 1.00 43.14 H new ATOM 0 HD23 LEU A 9 -4.540 2.378 -4.527 1.00 43.14 H new ATOM 155 N ARG A 10 -5.811 -1.035 -8.220 1.00 62.33 N ATOM 156 CA ARG A 10 -5.969 -0.791 -9.647 1.00 44.45 C ATOM 157 C ARG A 10 -6.862 -1.825 -10.350 1.00 22.21 C ATOM 158 O ARG A 10 -7.827 -1.460 -10.995 1.00 2.41 O ATOM 159 CB ARG A 10 -4.606 -0.703 -10.330 1.00 62.31 C ATOM 160 CG ARG A 10 -4.676 -0.359 -11.807 1.00 2.11 C ATOM 161 CD ARG A 10 -3.322 -0.235 -12.412 1.00 53.32 C ATOM 162 NE ARG A 10 -3.456 0.060 -13.817 1.00 52.41 N ATOM 163 CZ ARG A 10 -2.479 0.254 -14.664 1.00 72.45 C ATOM 164 NH1 ARG A 10 -1.206 0.160 -14.273 1.00 62.22 N ATOM 165 NH2 ARG A 10 -2.775 0.531 -15.908 1.00 42.14 N ATOM 0 H ARG A 10 -4.859 -1.275 -7.943 1.00 62.33 H new ATOM 0 HA ARG A 10 -6.482 0.166 -9.739 1.00 44.45 H new ATOM 0 HB2 ARG A 10 -4.004 0.049 -9.821 1.00 62.31 H new ATOM 0 HB3 ARG A 10 -4.091 -1.656 -10.214 1.00 62.31 H new ATOM 0 HG2 ARG A 10 -5.240 -1.130 -12.333 1.00 2.11 H new ATOM 0 HG3 ARG A 10 -5.219 0.577 -11.936 1.00 2.11 H new ATOM 0 HD2 ARG A 10 -2.759 0.555 -11.914 1.00 53.32 H new ATOM 0 HD3 ARG A 10 -2.763 -1.160 -12.274 1.00 53.32 H new ATOM 0 HE ARG A 10 -4.405 0.123 -14.186 1.00 52.41 H new ATOM 0 HH11 ARG A 10 -0.986 -0.066 -13.303 1.00 62.22 H new ATOM 0 HH12 ARG A 10 -0.454 0.314 -14.944 1.00 62.22 H new ATOM 0 HH21 ARG A 10 -3.751 0.592 -16.199 1.00 42.14 H new ATOM 0 HH22 ARG A 10 -2.030 0.686 -16.587 1.00 42.14 H new ATOM 179 N VAL A 11 -6.567 -3.105 -10.191 1.00 53.33 N ATOM 180 CA VAL A 11 -7.307 -4.150 -10.911 1.00 34.21 C ATOM 181 C VAL A 11 -8.780 -4.194 -10.504 1.00 20.24 C ATOM 182 O VAL A 11 -9.654 -4.405 -11.345 1.00 44.42 O ATOM 183 CB VAL A 11 -6.646 -5.555 -10.781 1.00 21.44 C ATOM 184 CG1 VAL A 11 -7.463 -6.637 -11.480 1.00 54.11 C ATOM 185 CG2 VAL A 11 -5.235 -5.525 -11.351 1.00 72.54 C ATOM 0 H VAL A 11 -5.829 -3.452 -9.578 1.00 53.33 H new ATOM 0 HA VAL A 11 -7.262 -3.875 -11.965 1.00 34.21 H new ATOM 0 HB VAL A 11 -6.608 -5.801 -9.720 1.00 21.44 H new ATOM 0 HG11 VAL A 11 -6.966 -7.600 -11.364 1.00 54.11 H new ATOM 0 HG12 VAL A 11 -8.457 -6.686 -11.036 1.00 54.11 H new ATOM 0 HG13 VAL A 11 -7.551 -6.399 -12.540 1.00 54.11 H new ATOM 0 HG21 VAL A 11 -4.783 -6.512 -11.255 1.00 72.54 H new ATOM 0 HG22 VAL A 11 -5.274 -5.245 -12.404 1.00 72.54 H new ATOM 0 HG23 VAL A 11 -4.637 -4.797 -10.803 1.00 72.54 H new ATOM 195 N LEU A 12 -9.087 -3.928 -9.247 1.00 21.41 N ATOM 196 CA LEU A 12 -10.438 -3.952 -8.846 1.00 34.41 C ATOM 197 C LEU A 12 -11.118 -2.643 -9.245 1.00 61.24 C ATOM 198 O LEU A 12 -12.327 -2.584 -9.485 1.00 64.10 O ATOM 199 CB LEU A 12 -10.543 -4.314 -7.381 1.00 2.10 C ATOM 200 CG LEU A 12 -11.918 -4.368 -6.820 1.00 22.23 C ATOM 201 CD1 LEU A 12 -12.749 -5.433 -7.531 1.00 25.25 C ATOM 202 CD2 LEU A 12 -11.894 -4.597 -5.323 1.00 4.25 C ATOM 0 H LEU A 12 -8.415 -3.699 -8.514 1.00 21.41 H new ATOM 0 HA LEU A 12 -10.987 -4.736 -9.368 1.00 34.41 H new ATOM 0 HB2 LEU A 12 -10.073 -5.286 -7.233 1.00 2.10 H new ATOM 0 HB3 LEU A 12 -9.966 -3.590 -6.806 1.00 2.10 H new ATOM 0 HG LEU A 12 -12.390 -3.401 -6.993 1.00 22.23 H new ATOM 0 HD11 LEU A 12 -13.752 -5.456 -7.105 1.00 25.25 H new ATOM 0 HD12 LEU A 12 -12.811 -5.197 -8.593 1.00 25.25 H new ATOM 0 HD13 LEU A 12 -12.278 -6.408 -7.403 1.00 25.25 H new ATOM 0 HD21 LEU A 12 -12.915 -4.631 -4.944 1.00 4.25 H new ATOM 0 HD22 LEU A 12 -11.395 -5.542 -5.107 1.00 4.25 H new ATOM 0 HD23 LEU A 12 -11.354 -3.783 -4.839 1.00 4.25 H new ATOM 214 N ARG A 13 -10.298 -1.636 -9.415 1.00 55.01 N ATOM 215 CA ARG A 13 -10.719 -0.361 -9.989 1.00 35.45 C ATOM 216 C ARG A 13 -10.908 -0.477 -11.483 1.00 60.12 C ATOM 217 O ARG A 13 -11.320 0.461 -12.146 1.00 1.44 O ATOM 218 CB ARG A 13 -9.754 0.737 -9.693 1.00 74.13 C ATOM 219 CG ARG A 13 -9.990 1.344 -8.347 1.00 22.20 C ATOM 220 CD ARG A 13 -9.938 2.819 -8.465 1.00 0.43 C ATOM 221 NE ARG A 13 -10.911 3.321 -9.450 1.00 72.31 N ATOM 222 CZ ARG A 13 -10.596 3.919 -10.615 1.00 54.22 C ATOM 223 NH1 ARG A 13 -9.323 4.161 -10.936 1.00 50.01 N ATOM 224 NH2 ARG A 13 -11.549 4.269 -11.453 1.00 13.14 N ATOM 0 H ARG A 13 -9.311 -1.668 -9.161 1.00 55.01 H new ATOM 0 HA ARG A 13 -11.671 -0.110 -9.522 1.00 35.45 H new ATOM 0 HB2 ARG A 13 -8.737 0.348 -9.742 1.00 74.13 H new ATOM 0 HB3 ARG A 13 -9.837 1.509 -10.458 1.00 74.13 H new ATOM 0 HG2 ARG A 13 -10.959 1.032 -7.958 1.00 22.20 H new ATOM 0 HG3 ARG A 13 -9.236 0.996 -7.640 1.00 22.20 H new ATOM 0 HD2 ARG A 13 -10.139 3.269 -7.493 1.00 0.43 H new ATOM 0 HD3 ARG A 13 -8.934 3.126 -8.757 1.00 0.43 H new ATOM 0 HE ARG A 13 -11.901 3.207 -9.233 1.00 72.31 H new ATOM 0 HH11 ARG A 13 -8.576 3.892 -10.296 1.00 50.01 H new ATOM 0 HH12 ARG A 13 -9.098 4.615 -11.821 1.00 50.01 H new ATOM 0 HH21 ARG A 13 -12.525 4.087 -11.220 1.00 13.14 H new ATOM 0 HH22 ARG A 13 -11.311 4.722 -12.335 1.00 13.14 H new ATOM 238 N VAL A 14 -10.549 -1.616 -12.011 1.00 44.22 N ATOM 239 CA VAL A 14 -10.812 -1.939 -13.392 1.00 35.43 C ATOM 240 C VAL A 14 -12.074 -2.811 -13.473 1.00 42.10 C ATOM 241 O VAL A 14 -13.018 -2.510 -14.207 1.00 51.50 O ATOM 242 CB VAL A 14 -9.602 -2.695 -14.042 1.00 5.12 C ATOM 243 CG1 VAL A 14 -9.919 -3.163 -15.454 1.00 72.42 C ATOM 244 CG2 VAL A 14 -8.370 -1.809 -14.066 1.00 62.34 C ATOM 0 H VAL A 14 -10.064 -2.350 -11.496 1.00 44.22 H new ATOM 0 HA VAL A 14 -10.961 -1.010 -13.943 1.00 35.43 H new ATOM 0 HB VAL A 14 -9.407 -3.574 -13.428 1.00 5.12 H new ATOM 0 HG11 VAL A 14 -9.054 -3.682 -15.868 1.00 72.42 H new ATOM 0 HG12 VAL A 14 -10.772 -3.841 -15.430 1.00 72.42 H new ATOM 0 HG13 VAL A 14 -10.158 -2.302 -16.078 1.00 72.42 H new ATOM 0 HG21 VAL A 14 -7.541 -2.351 -14.521 1.00 62.34 H new ATOM 0 HG22 VAL A 14 -8.579 -0.911 -14.648 1.00 62.34 H new ATOM 0 HG23 VAL A 14 -8.104 -1.528 -13.047 1.00 62.34 H new ATOM 254 N LEU A 15 -12.113 -3.840 -12.650 1.00 12.31 N ATOM 255 CA LEU A 15 -13.172 -4.850 -12.708 1.00 74.55 C ATOM 256 C LEU A 15 -14.518 -4.391 -12.168 1.00 31.21 C ATOM 257 O LEU A 15 -15.507 -5.092 -12.308 1.00 65.31 O ATOM 258 CB LEU A 15 -12.739 -6.145 -12.029 1.00 62.22 C ATOM 259 CG LEU A 15 -11.471 -6.800 -12.571 1.00 63.05 C ATOM 260 CD1 LEU A 15 -11.126 -8.036 -11.759 1.00 11.15 C ATOM 261 CD2 LEU A 15 -11.625 -7.152 -14.045 1.00 43.02 C ATOM 0 H LEU A 15 -11.418 -4.007 -11.922 1.00 12.31 H new ATOM 0 HA LEU A 15 -13.327 -5.030 -13.772 1.00 74.55 H new ATOM 0 HB2 LEU A 15 -12.593 -5.943 -10.968 1.00 62.22 H new ATOM 0 HB3 LEU A 15 -13.556 -6.863 -12.108 1.00 62.22 H new ATOM 0 HG LEU A 15 -10.653 -6.085 -12.481 1.00 63.05 H new ATOM 0 HD11 LEU A 15 -10.220 -8.492 -12.158 1.00 11.15 H new ATOM 0 HD12 LEU A 15 -10.963 -7.754 -10.719 1.00 11.15 H new ATOM 0 HD13 LEU A 15 -11.947 -8.750 -11.817 1.00 11.15 H new ATOM 0 HD21 LEU A 15 -10.708 -7.617 -14.406 1.00 43.02 H new ATOM 0 HD22 LEU A 15 -12.456 -7.846 -14.168 1.00 43.02 H new ATOM 0 HD23 LEU A 15 -11.821 -6.245 -14.617 1.00 43.02 H new ATOM 273 N ARG A 16 -14.568 -3.285 -11.526 1.00 3.51 N ATOM 274 CA ARG A 16 -15.859 -2.771 -11.109 1.00 4.11 C ATOM 275 C ARG A 16 -16.429 -1.693 -12.046 1.00 75.41 C ATOM 276 O ARG A 16 -17.505 -1.891 -12.608 1.00 1.42 O ATOM 277 CB ARG A 16 -15.907 -2.378 -9.634 1.00 34.41 C ATOM 278 CG ARG A 16 -15.815 -3.580 -8.723 1.00 55.03 C ATOM 279 CD ARG A 16 -15.894 -3.220 -7.287 1.00 72.22 C ATOM 280 NE ARG A 16 -15.864 -4.432 -6.496 1.00 11.02 N ATOM 281 CZ ARG A 16 -15.817 -4.497 -5.189 1.00 32.11 C ATOM 282 NH1 ARG A 16 -15.938 -3.394 -4.448 1.00 70.10 N ATOM 283 NH2 ARG A 16 -15.702 -5.670 -4.621 1.00 63.20 N ATOM 0 H ARG A 16 -13.762 -2.714 -11.272 1.00 3.51 H new ATOM 0 HA ARG A 16 -16.541 -3.616 -11.206 1.00 4.11 H new ATOM 0 HB2 ARG A 16 -15.087 -1.694 -9.415 1.00 34.41 H new ATOM 0 HB3 ARG A 16 -16.834 -1.841 -9.432 1.00 34.41 H new ATOM 0 HG2 ARG A 16 -16.620 -4.275 -8.963 1.00 55.03 H new ATOM 0 HG3 ARG A 16 -14.877 -4.102 -8.911 1.00 55.03 H new ATOM 0 HD2 ARG A 16 -15.061 -2.572 -7.015 1.00 72.22 H new ATOM 0 HD3 ARG A 16 -16.810 -2.663 -7.088 1.00 72.22 H new ATOM 0 HE ARG A 16 -15.881 -5.317 -7.003 1.00 11.02 H new ATOM 0 HH11 ARG A 16 -16.069 -2.488 -4.899 1.00 70.10 H new ATOM 0 HH12 ARG A 16 -15.900 -3.456 -3.431 1.00 70.10 H new ATOM 0 HH21 ARG A 16 -15.651 -6.512 -5.195 1.00 63.20 H new ATOM 0 HH22 ARG A 16 -15.664 -5.743 -3.604 1.00 63.20 H new ATOM 297 N PRO A 17 -15.700 -0.583 -12.322 1.00 13.24 N ATOM 298 CA PRO A 17 -16.231 0.515 -13.121 1.00 52.51 C ATOM 299 C PRO A 17 -16.394 0.120 -14.571 1.00 23.12 C ATOM 300 O PRO A 17 -17.320 0.569 -15.238 1.00 15.21 O ATOM 301 CB PRO A 17 -15.182 1.627 -12.979 1.00 25.14 C ATOM 302 CG PRO A 17 -14.314 1.176 -11.869 1.00 2.24 C ATOM 303 CD PRO A 17 -14.325 -0.312 -11.952 1.00 21.33 C ATOM 0 HA PRO A 17 -17.222 0.821 -12.785 1.00 52.51 H new ATOM 0 HB2 PRO A 17 -14.614 1.757 -13.900 1.00 25.14 H new ATOM 0 HB3 PRO A 17 -15.648 2.586 -12.754 1.00 25.14 H new ATOM 0 HG2 PRO A 17 -13.303 1.570 -11.973 1.00 2.24 H new ATOM 0 HG3 PRO A 17 -14.693 1.521 -10.907 1.00 2.24 H new ATOM 0 HD2 PRO A 17 -13.621 -0.684 -12.696 1.00 21.33 H new ATOM 0 HD3 PRO A 17 -14.059 -0.776 -11.002 1.00 21.33 H new ATOM 311 N LEU A 18 -15.538 -0.783 -15.061 1.00 25.21 N ATOM 312 CA LEU A 18 -15.665 -1.187 -16.427 1.00 24.14 C ATOM 313 C LEU A 18 -16.853 -2.065 -16.626 1.00 71.14 C ATOM 314 O LEU A 18 -17.351 -2.159 -17.706 1.00 3.11 O ATOM 315 CB LEU A 18 -14.455 -1.874 -16.958 1.00 11.12 C ATOM 316 CG LEU A 18 -13.206 -1.019 -17.174 1.00 35.14 C ATOM 317 CD1 LEU A 18 -12.159 -1.828 -17.878 1.00 22.44 C ATOM 318 CD2 LEU A 18 -13.513 0.241 -17.967 1.00 10.14 C ATOM 0 H LEU A 18 -14.781 -1.224 -14.538 1.00 25.21 H new ATOM 0 HA LEU A 18 -15.791 -0.261 -16.988 1.00 24.14 H new ATOM 0 HB2 LEU A 18 -14.197 -2.682 -16.273 1.00 11.12 H new ATOM 0 HB3 LEU A 18 -14.718 -2.335 -17.910 1.00 11.12 H new ATOM 0 HG LEU A 18 -12.838 -0.708 -16.196 1.00 35.14 H new ATOM 0 HD11 LEU A 18 -11.269 -1.217 -18.031 1.00 22.44 H new ATOM 0 HD12 LEU A 18 -11.903 -2.697 -17.272 1.00 22.44 H new ATOM 0 HD13 LEU A 18 -12.543 -2.159 -18.843 1.00 22.44 H new ATOM 0 HD21 LEU A 18 -12.599 0.820 -18.098 1.00 10.14 H new ATOM 0 HD22 LEU A 18 -13.913 -0.032 -18.944 1.00 10.14 H new ATOM 0 HD23 LEU A 18 -14.248 0.840 -17.429 1.00 10.14 H new ATOM 330 N LYS A 19 -17.309 -2.691 -15.568 1.00 25.22 N ATOM 331 CA LYS A 19 -18.487 -3.543 -15.634 1.00 33.21 C ATOM 332 C LYS A 19 -19.706 -2.715 -15.622 1.00 31.32 C ATOM 333 O LYS A 19 -20.731 -3.087 -16.187 1.00 22.31 O ATOM 334 CB LYS A 19 -18.496 -4.616 -14.540 1.00 55.24 C ATOM 335 CG LYS A 19 -17.629 -5.854 -14.819 1.00 44.21 C ATOM 336 CD LYS A 19 -16.197 -5.523 -15.219 1.00 61.41 C ATOM 337 CE LYS A 19 -15.314 -6.763 -15.276 1.00 22.15 C ATOM 338 NZ LYS A 19 -15.845 -7.810 -16.170 1.00 70.43 N ATOM 0 H LYS A 19 -16.884 -2.630 -14.643 1.00 25.22 H new ATOM 0 HA LYS A 19 -18.458 -4.092 -16.575 1.00 33.21 H new ATOM 0 HB2 LYS A 19 -18.161 -4.162 -13.608 1.00 55.24 H new ATOM 0 HB3 LYS A 19 -19.524 -4.942 -14.384 1.00 55.24 H new ATOM 0 HG2 LYS A 19 -17.612 -6.482 -13.929 1.00 44.21 H new ATOM 0 HG3 LYS A 19 -18.092 -6.439 -15.613 1.00 44.21 H new ATOM 0 HD2 LYS A 19 -16.197 -5.034 -16.193 1.00 61.41 H new ATOM 0 HD3 LYS A 19 -15.777 -4.813 -14.506 1.00 61.41 H new ATOM 0 HE2 LYS A 19 -14.317 -6.477 -15.613 1.00 22.15 H new ATOM 0 HE3 LYS A 19 -15.206 -7.172 -14.271 1.00 22.15 H new ATOM 0 HZ1 LYS A 19 -15.147 -8.576 -16.260 1.00 70.43 H new ATOM 0 HZ2 LYS A 19 -16.728 -8.191 -15.773 1.00 70.43 H new ATOM 0 HZ3 LYS A 19 -16.035 -7.402 -17.108 1.00 70.43 H new ATOM 352 N THR A 20 -19.595 -1.588 -15.014 1.00 54.12 N ATOM 353 CA THR A 20 -20.642 -0.642 -15.024 1.00 50.32 C ATOM 354 C THR A 20 -20.816 -0.064 -16.451 1.00 73.22 C ATOM 355 O THR A 20 -21.928 0.233 -16.888 1.00 4.14 O ATOM 356 CB THR A 20 -20.337 0.478 -14.052 1.00 1.42 C ATOM 357 OG1 THR A 20 -19.797 -0.080 -12.839 1.00 72.40 O ATOM 358 CG2 THR A 20 -21.610 1.154 -13.730 1.00 64.43 C ATOM 0 H THR A 20 -18.767 -1.298 -14.493 1.00 54.12 H new ATOM 0 HA THR A 20 -21.566 -1.134 -14.722 1.00 50.32 H new ATOM 0 HB THR A 20 -19.621 1.175 -14.487 1.00 1.42 H new ATOM 0 HG1 THR A 20 -19.597 0.642 -12.208 1.00 72.40 H new ATOM 0 HG21 THR A 20 -21.423 1.968 -13.030 1.00 64.43 H new ATOM 0 HG22 THR A 20 -22.050 1.555 -14.643 1.00 64.43 H new ATOM 0 HG23 THR A 20 -22.298 0.439 -13.279 1.00 64.43 H new ATOM 366 N ILE A 21 -19.714 0.063 -17.163 1.00 53.34 N ATOM 367 CA ILE A 21 -19.733 0.564 -18.527 1.00 2.02 C ATOM 368 C ILE A 21 -20.086 -0.562 -19.482 1.00 61.32 C ATOM 369 O ILE A 21 -21.155 -0.565 -20.121 1.00 53.44 O ATOM 370 CB ILE A 21 -18.360 1.113 -18.940 1.00 1.41 C ATOM 371 CG1 ILE A 21 -17.851 2.121 -17.928 1.00 31.03 C ATOM 372 CG2 ILE A 21 -18.457 1.763 -20.313 1.00 20.23 C ATOM 373 CD1 ILE A 21 -16.418 2.479 -18.147 1.00 33.02 C ATOM 0 H ILE A 21 -18.785 -0.176 -16.817 1.00 53.34 H new ATOM 0 HA ILE A 21 -20.473 1.363 -18.571 1.00 2.02 H new ATOM 0 HB ILE A 21 -17.656 0.282 -18.979 1.00 1.41 H new ATOM 0 HG12 ILE A 21 -18.460 3.024 -17.982 1.00 31.03 H new ATOM 0 HG13 ILE A 21 -17.971 1.715 -16.924 1.00 31.03 H new ATOM 0 HG21 ILE A 21 -17.480 2.151 -20.602 1.00 20.23 H new ATOM 0 HG22 ILE A 21 -18.784 1.023 -21.044 1.00 20.23 H new ATOM 0 HG23 ILE A 21 -19.177 2.581 -20.278 1.00 20.23 H new ATOM 0 HD11 ILE A 21 -16.105 3.204 -17.395 1.00 33.02 H new ATOM 0 HD12 ILE A 21 -15.803 1.583 -18.066 1.00 33.02 H new ATOM 0 HD13 ILE A 21 -16.299 2.912 -19.140 1.00 33.02 H new ATOM 385 N LYS A 22 -19.192 -1.531 -19.537 1.00 24.32 N ATOM 386 CA LYS A 22 -19.301 -2.701 -20.420 1.00 1.33 C ATOM 387 C LYS A 22 -20.559 -3.557 -20.238 1.00 52.54 C ATOM 388 O LYS A 22 -20.819 -4.410 -21.064 1.00 51.14 O ATOM 389 CB LYS A 22 -18.034 -3.572 -20.397 1.00 13.42 C ATOM 390 CG LYS A 22 -17.017 -3.261 -21.499 1.00 0.53 C ATOM 391 CD LYS A 22 -16.578 -1.802 -21.528 1.00 14.13 C ATOM 392 CE LYS A 22 -15.593 -1.568 -22.665 1.00 75.35 C ATOM 393 NZ LYS A 22 -15.248 -0.145 -22.833 1.00 54.41 N ATOM 0 H LYS A 22 -18.349 -1.537 -18.962 1.00 24.32 H new ATOM 0 HA LYS A 22 -19.405 -2.257 -21.410 1.00 1.33 H new ATOM 0 HB2 LYS A 22 -17.547 -3.453 -19.429 1.00 13.42 H new ATOM 0 HB3 LYS A 22 -18.328 -4.618 -20.479 1.00 13.42 H new ATOM 0 HG2 LYS A 22 -16.140 -3.893 -21.362 1.00 0.53 H new ATOM 0 HG3 LYS A 22 -17.449 -3.521 -22.465 1.00 0.53 H new ATOM 0 HD2 LYS A 22 -17.447 -1.156 -21.652 1.00 14.13 H new ATOM 0 HD3 LYS A 22 -16.116 -1.535 -20.577 1.00 14.13 H new ATOM 0 HE2 LYS A 22 -14.684 -2.139 -22.476 1.00 75.35 H new ATOM 0 HE3 LYS A 22 -16.020 -1.947 -23.594 1.00 75.35 H new ATOM 0 HZ1 LYS A 22 -14.575 -0.041 -23.619 1.00 54.41 H new ATOM 0 HZ2 LYS A 22 -16.110 0.399 -23.041 1.00 54.41 H new ATOM 0 HZ3 LYS A 22 -14.815 0.213 -21.958 1.00 54.41 H new ATOM 407 N ARG A 23 -21.351 -3.322 -19.190 1.00 14.20 N ATOM 408 CA ARG A 23 -22.627 -4.042 -19.020 1.00 53.04 C ATOM 409 C ARG A 23 -23.568 -3.810 -20.221 1.00 1.13 C ATOM 410 O ARG A 23 -24.541 -4.533 -20.396 1.00 51.20 O ATOM 411 CB ARG A 23 -23.329 -3.635 -17.687 1.00 72.00 C ATOM 412 CG ARG A 23 -23.762 -2.162 -17.587 1.00 62.10 C ATOM 413 CD ARG A 23 -25.083 -1.875 -18.300 1.00 60.54 C ATOM 414 NE ARG A 23 -25.306 -0.446 -18.484 1.00 12.03 N ATOM 415 CZ ARG A 23 -26.335 0.097 -19.150 1.00 23.24 C ATOM 416 NH1 ARG A 23 -27.292 -0.668 -19.673 1.00 11.01 N ATOM 417 NH2 ARG A 23 -26.394 1.404 -19.309 1.00 53.31 N ATOM 0 H ARG A 23 -21.141 -2.650 -18.452 1.00 14.20 H new ATOM 0 HA ARG A 23 -22.397 -5.106 -18.973 1.00 53.04 H new ATOM 0 HB2 ARG A 23 -24.209 -4.264 -17.554 1.00 72.00 H new ATOM 0 HB3 ARG A 23 -22.653 -3.854 -16.860 1.00 72.00 H new ATOM 0 HG2 ARG A 23 -23.856 -1.888 -16.536 1.00 62.10 H new ATOM 0 HG3 ARG A 23 -22.982 -1.531 -18.012 1.00 62.10 H new ATOM 0 HD2 ARG A 23 -25.086 -2.370 -19.271 1.00 60.54 H new ATOM 0 HD3 ARG A 23 -25.905 -2.299 -17.724 1.00 60.54 H new ATOM 0 HE ARG A 23 -24.624 0.192 -18.073 1.00 12.03 H new ATOM 0 HH11 ARG A 23 -27.248 -1.682 -19.569 1.00 11.01 H new ATOM 0 HH12 ARG A 23 -28.069 -0.240 -20.177 1.00 11.01 H new ATOM 0 HH21 ARG A 23 -25.659 1.998 -18.926 1.00 53.31 H new ATOM 0 HH22 ARG A 23 -27.175 1.821 -19.815 1.00 53.31 H new ATOM 431 N LEU A 24 -23.297 -2.768 -20.997 1.00 60.24 N ATOM 432 CA LEU A 24 -24.119 -2.442 -22.131 1.00 43.45 C ATOM 433 C LEU A 24 -23.705 -3.218 -23.418 1.00 63.11 C ATOM 434 O LEU A 24 -24.518 -3.964 -23.936 1.00 65.54 O ATOM 435 CB LEU A 24 -24.235 -0.910 -22.327 1.00 62.41 C ATOM 436 CG LEU A 24 -25.121 -0.417 -23.477 1.00 2.24 C ATOM 437 CD1 LEU A 24 -26.541 -0.929 -23.325 1.00 54.25 C ATOM 438 CD2 LEU A 24 -25.123 1.093 -23.513 1.00 64.21 C ATOM 0 H LEU A 24 -22.508 -2.138 -20.852 1.00 60.24 H new ATOM 0 HA LEU A 24 -25.128 -2.792 -21.914 1.00 43.45 H new ATOM 0 HB2 LEU A 24 -24.613 -0.478 -21.400 1.00 62.41 H new ATOM 0 HB3 LEU A 24 -23.232 -0.512 -22.478 1.00 62.41 H new ATOM 0 HG LEU A 24 -24.714 -0.802 -24.412 1.00 2.24 H new ATOM 0 HD11 LEU A 24 -27.149 -0.565 -24.153 1.00 54.25 H new ATOM 0 HD12 LEU A 24 -26.537 -2.019 -23.329 1.00 54.25 H new ATOM 0 HD13 LEU A 24 -26.958 -0.571 -22.384 1.00 54.25 H new ATOM 0 HD21 LEU A 24 -25.754 1.437 -24.332 1.00 64.21 H new ATOM 0 HD22 LEU A 24 -25.510 1.479 -22.570 1.00 64.21 H new ATOM 0 HD23 LEU A 24 -24.106 1.455 -23.663 1.00 64.21 H new ATOM 450 N PRO A 25 -22.433 -3.112 -23.947 1.00 10.40 N ATOM 451 CA PRO A 25 -22.030 -3.848 -25.169 1.00 12.02 C ATOM 452 C PRO A 25 -21.631 -5.294 -24.880 1.00 12.34 C ATOM 453 O PRO A 25 -21.281 -6.075 -25.775 1.00 44.40 O ATOM 454 CB PRO A 25 -20.836 -3.052 -25.719 1.00 25.12 C ATOM 455 CG PRO A 25 -20.611 -1.921 -24.752 1.00 32.41 C ATOM 456 CD PRO A 25 -21.326 -2.279 -23.476 1.00 22.20 C ATOM 0 HA PRO A 25 -22.856 -3.921 -25.876 1.00 12.02 H new ATOM 0 HB2 PRO A 25 -19.950 -3.682 -25.796 1.00 25.12 H new ATOM 0 HB3 PRO A 25 -21.047 -2.674 -26.719 1.00 25.12 H new ATOM 0 HG2 PRO A 25 -19.546 -1.777 -24.569 1.00 32.41 H new ATOM 0 HG3 PRO A 25 -20.994 -0.985 -25.158 1.00 32.41 H new ATOM 0 HD2 PRO A 25 -20.677 -2.820 -22.787 1.00 22.20 H new ATOM 0 HD3 PRO A 25 -21.682 -1.393 -22.950 1.00 22.20 H new ATOM 464 N LYS A 26 -21.673 -5.613 -23.649 1.00 14.34 N ATOM 465 CA LYS A 26 -21.376 -6.926 -23.139 1.00 54.14 C ATOM 466 C LYS A 26 -22.448 -7.236 -22.111 1.00 3.21 C ATOM 467 O LYS A 26 -23.522 -6.630 -22.134 1.00 63.01 O ATOM 468 CB LYS A 26 -19.980 -6.945 -22.463 1.00 31.21 C ATOM 469 CG LYS A 26 -18.795 -6.589 -23.359 1.00 63.25 C ATOM 470 CD LYS A 26 -18.552 -7.636 -24.432 1.00 32.12 C ATOM 471 CE LYS A 26 -17.301 -7.312 -25.233 1.00 12.25 C ATOM 472 NZ LYS A 26 -16.965 -8.377 -26.199 1.00 61.02 N ATOM 0 H LYS A 26 -21.926 -4.948 -22.918 1.00 14.34 H new ATOM 0 HA LYS A 26 -21.362 -7.662 -23.943 1.00 54.14 H new ATOM 0 HB2 LYS A 26 -19.996 -6.250 -21.623 1.00 31.21 H new ATOM 0 HB3 LYS A 26 -19.812 -7.940 -22.051 1.00 31.21 H new ATOM 0 HG2 LYS A 26 -18.976 -5.623 -23.831 1.00 63.25 H new ATOM 0 HG3 LYS A 26 -17.899 -6.483 -22.748 1.00 63.25 H new ATOM 0 HD2 LYS A 26 -18.449 -8.618 -23.971 1.00 32.12 H new ATOM 0 HD3 LYS A 26 -19.413 -7.686 -25.099 1.00 32.12 H new ATOM 0 HE2 LYS A 26 -17.447 -6.373 -25.767 1.00 12.25 H new ATOM 0 HE3 LYS A 26 -16.463 -7.165 -24.551 1.00 12.25 H new ATOM 0 HZ1 LYS A 26 -16.106 -8.113 -26.722 1.00 61.02 H new ATOM 0 HZ2 LYS A 26 -16.800 -9.268 -25.689 1.00 61.02 H new ATOM 0 HZ3 LYS A 26 -17.752 -8.501 -26.867 1.00 61.02 H new ATOM 486 N LEU A 27 -22.174 -8.145 -21.237 1.00 52.50 N ATOM 487 CA LEU A 27 -23.076 -8.488 -20.182 1.00 60.24 C ATOM 488 C LEU A 27 -22.258 -8.690 -18.944 1.00 51.52 C ATOM 489 O LEU A 27 -21.021 -8.760 -19.035 1.00 24.21 O ATOM 490 CB LEU A 27 -23.905 -9.753 -20.484 1.00 13.14 C ATOM 491 CG LEU A 27 -23.162 -11.077 -20.432 1.00 30.10 C ATOM 492 CD1 LEU A 27 -24.145 -12.224 -20.457 1.00 33.14 C ATOM 493 CD2 LEU A 27 -22.178 -11.211 -21.576 1.00 60.35 C ATOM 0 H LEU A 27 -21.306 -8.680 -21.233 1.00 52.50 H new ATOM 0 HA LEU A 27 -23.798 -7.681 -20.061 1.00 60.24 H new ATOM 0 HB2 LEU A 27 -24.731 -9.797 -19.775 1.00 13.14 H new ATOM 0 HB3 LEU A 27 -24.342 -9.646 -21.477 1.00 13.14 H new ATOM 0 HG LEU A 27 -22.596 -11.105 -19.501 1.00 30.10 H new ATOM 0 HD11 LEU A 27 -23.603 -13.169 -20.419 1.00 33.14 H new ATOM 0 HD12 LEU A 27 -24.810 -12.152 -19.596 1.00 33.14 H new ATOM 0 HD13 LEU A 27 -24.733 -12.179 -21.374 1.00 33.14 H new ATOM 0 HD21 LEU A 27 -21.666 -12.171 -21.505 1.00 60.35 H new ATOM 0 HD22 LEU A 27 -22.713 -11.154 -22.524 1.00 60.35 H new ATOM 0 HD23 LEU A 27 -21.447 -10.405 -21.523 1.00 60.35 H new ATOM 505 N LYS A 28 -22.899 -8.771 -17.810 1.00 72.22 N ATOM 506 CA LYS A 28 -22.200 -9.003 -16.567 1.00 64.51 C ATOM 507 C LYS A 28 -21.780 -10.449 -16.533 1.00 42.23 C ATOM 508 O LYS A 28 -22.666 -11.324 -16.588 1.00 43.35 O ATOM 509 CB LYS A 28 -23.079 -8.687 -15.365 1.00 61.20 C ATOM 510 CG LYS A 28 -23.664 -7.293 -15.378 1.00 72.34 C ATOM 511 CD LYS A 28 -24.534 -7.066 -14.161 1.00 63.32 C ATOM 512 CE LYS A 28 -25.352 -5.801 -14.300 1.00 13.10 C ATOM 513 NZ LYS A 28 -26.263 -5.871 -15.464 1.00 63.11 N ATOM 514 OXT LYS A 28 -20.571 -10.729 -16.469 1.00 0.00 O ATOM 0 H LYS A 28 -23.911 -8.680 -17.717 1.00 72.22 H new ATOM 0 HA LYS A 28 -21.332 -8.346 -16.514 1.00 64.51 H new ATOM 0 HB2 LYS A 28 -23.893 -9.411 -15.323 1.00 61.20 H new ATOM 0 HB3 LYS A 28 -22.492 -8.815 -14.455 1.00 61.20 H new ATOM 0 HG2 LYS A 28 -22.861 -6.556 -15.399 1.00 72.34 H new ATOM 0 HG3 LYS A 28 -24.253 -7.149 -16.284 1.00 72.34 H new ATOM 0 HD2 LYS A 28 -25.199 -7.918 -14.022 1.00 63.32 H new ATOM 0 HD3 LYS A 28 -23.908 -7.001 -13.271 1.00 63.32 H new ATOM 0 HE2 LYS A 28 -25.932 -5.640 -13.391 1.00 13.10 H new ATOM 0 HE3 LYS A 28 -24.686 -4.945 -14.409 1.00 13.10 H new ATOM 0 HZ1 LYS A 28 -27.073 -5.237 -15.310 1.00 63.11 H new ATOM 0 HZ2 LYS A 28 -25.753 -5.579 -16.322 1.00 63.11 H new ATOM 0 HZ3 LYS A 28 -26.604 -6.847 -15.579 1.00 63.11 H new TER 528 LYS A 28