USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 60 LEU C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ 121:sc= -0.0179 (180deg=-0.578) USER MOD Single : A 4 TYR OH : rot -60:sc= -1.24! USER MOD Single : A 8 GLN : amide:sc= -0.0693 K(o=-0.069,f=-1.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00924) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 75:sc= 0.121 USER MOD Single : A 35 THR OG1 : rot -37:sc= 0.75 USER MOD Single : A 39 SER OG : rot 170:sc= -0.543 USER MOD Single : A 43 THR OG1 : rot 180:sc= -2.76! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.378 K(o=-0.38,f=-2.2!) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0447) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.111 -0.065 -0.016 1.00 14.11 N ATOM 2 CA LEU A 1 1.949 0.017 -1.207 1.00 53.52 C ATOM 3 C LEU A 1 1.955 -1.308 -1.961 1.00 71.43 C ATOM 4 O LEU A 1 1.669 -1.356 -3.158 1.00 15.43 O ATOM 5 CB LEU A 1 3.378 0.406 -0.824 1.00 33.25 C ATOM 6 CG LEU A 1 3.587 1.860 -0.398 1.00 70.52 C ATOM 7 CD1 LEU A 1 4.930 2.025 0.296 1.00 61.42 C ATOM 8 CD2 LEU A 1 3.489 2.787 -1.601 1.00 74.50 C ATOM 0 H1 LEU A 1 1.684 0.143 0.827 1.00 14.11 H new ATOM 0 HA LEU A 1 1.534 0.784 -1.861 1.00 53.52 H new ATOM 0 HB2 LEU A 1 3.703 -0.241 -0.009 1.00 33.25 H new ATOM 0 HB3 LEU A 1 4.029 0.200 -1.673 1.00 33.25 H new ATOM 0 HG LEU A 1 2.801 2.129 0.308 1.00 70.52 H new ATOM 0 HD11 LEU A 1 5.061 3.066 0.592 1.00 61.42 H new ATOM 0 HD12 LEU A 1 4.963 1.389 1.181 1.00 61.42 H new ATOM 0 HD13 LEU A 1 5.730 1.738 -0.387 1.00 61.42 H new ATOM 0 HD21 LEU A 1 3.640 3.817 -1.280 1.00 74.50 H new ATOM 0 HD22 LEU A 1 4.253 2.519 -2.330 1.00 74.50 H new ATOM 0 HD23 LEU A 1 2.503 2.690 -2.056 1.00 74.50 H new ATOM 20 N VAL A 2 2.281 -2.385 -1.253 1.00 5.21 N ATOM 21 CA VAL A 2 2.322 -3.712 -1.854 1.00 74.42 C ATOM 22 C VAL A 2 0.942 -4.135 -2.346 1.00 52.21 C ATOM 23 O VAL A 2 0.787 -4.581 -3.482 1.00 54.15 O ATOM 24 CB VAL A 2 2.843 -4.764 -0.857 1.00 65.45 C ATOM 25 CG1 VAL A 2 2.840 -6.148 -1.490 1.00 51.42 C ATOM 26 CG2 VAL A 2 4.237 -4.394 -0.374 1.00 3.03 C ATOM 0 H VAL A 2 2.521 -2.364 -0.262 1.00 5.21 H new ATOM 0 HA VAL A 2 3.006 -3.655 -2.701 1.00 74.42 H new ATOM 0 HB VAL A 2 2.177 -4.784 0.005 1.00 65.45 H new ATOM 0 HG11 VAL A 2 3.211 -6.878 -0.771 1.00 51.42 H new ATOM 0 HG12 VAL A 2 1.824 -6.412 -1.783 1.00 51.42 H new ATOM 0 HG13 VAL A 2 3.483 -6.147 -2.370 1.00 51.42 H new ATOM 0 HG21 VAL A 2 4.590 -5.148 0.330 1.00 3.03 H new ATOM 0 HG22 VAL A 2 4.916 -4.346 -1.225 1.00 3.03 H new ATOM 0 HG23 VAL A 2 4.205 -3.423 0.120 1.00 3.03 H new ATOM 36 N ALA A 3 -0.058 -3.991 -1.483 1.00 0.45 N ATOM 37 CA ALA A 3 -1.426 -4.355 -1.830 1.00 1.21 C ATOM 38 C ALA A 3 -1.956 -3.482 -2.962 1.00 43.24 C ATOM 39 O ALA A 3 -2.810 -3.908 -3.740 1.00 65.04 O ATOM 40 CB ALA A 3 -2.328 -4.244 -0.609 1.00 43.14 C ATOM 0 H ALA A 3 0.054 -3.625 -0.538 1.00 0.45 H new ATOM 0 HA ALA A 3 -1.424 -5.389 -2.174 1.00 1.21 H new ATOM 0 HB1 ALA A 3 -3.347 -4.519 -0.883 1.00 43.14 H new ATOM 0 HB2 ALA A 3 -1.968 -4.915 0.171 1.00 43.14 H new ATOM 0 HB3 ALA A 3 -2.316 -3.219 -0.240 1.00 43.14 H new ATOM 46 N TYR A 4 -1.445 -2.259 -3.049 1.00 2.33 N ATOM 47 CA TYR A 4 -1.869 -1.324 -4.085 1.00 32.54 C ATOM 48 C TYR A 4 -1.292 -1.716 -5.441 1.00 63.33 C ATOM 49 O TYR A 4 -2.016 -1.822 -6.430 1.00 71.01 O ATOM 50 CB TYR A 4 -1.437 0.098 -3.726 1.00 14.33 C ATOM 51 CG TYR A 4 -2.482 1.145 -4.038 1.00 54.33 C ATOM 52 CD1 TYR A 4 -3.028 1.251 -5.312 1.00 14.33 C ATOM 53 CD2 TYR A 4 -2.923 2.029 -3.061 1.00 51.11 C ATOM 54 CE1 TYR A 4 -3.983 2.207 -5.602 1.00 60.23 C ATOM 55 CE2 TYR A 4 -3.878 2.987 -3.342 1.00 73.43 C ATOM 56 CZ TYR A 4 -4.405 3.072 -4.614 1.00 60.32 C ATOM 57 OH TYR A 4 -5.356 4.025 -4.899 1.00 4.13 O ATOM 0 H TYR A 4 -0.736 -1.892 -2.414 1.00 2.33 H new ATOM 0 HA TYR A 4 -2.957 -1.361 -4.149 1.00 32.54 H new ATOM 0 HB2 TYR A 4 -1.200 0.139 -2.663 1.00 14.33 H new ATOM 0 HB3 TYR A 4 -0.521 0.338 -4.267 1.00 14.33 H new ATOM 0 HD1 TYR A 4 -2.700 0.575 -6.088 1.00 14.33 H new ATOM 0 HD2 TYR A 4 -2.512 1.966 -2.064 1.00 51.11 H new ATOM 0 HE1 TYR A 4 -4.397 2.276 -6.597 1.00 60.23 H new ATOM 0 HE2 TYR A 4 -4.210 3.666 -2.570 1.00 73.43 H new ATOM 0 HH TYR A 4 -5.025 4.617 -5.607 1.00 4.13 H new ATOM 67 N GLY A 5 0.020 -1.931 -5.479 1.00 71.32 N ATOM 68 CA GLY A 5 0.674 -2.310 -6.718 1.00 41.42 C ATOM 69 C GLY A 5 2.180 -2.153 -6.650 1.00 2.21 C ATOM 70 O GLY A 5 2.914 -2.823 -7.377 1.00 21.34 O ATOM 0 H GLY A 5 0.641 -1.849 -4.674 1.00 71.32 H new ATOM 0 HA2 GLY A 5 0.430 -3.346 -6.952 1.00 41.42 H new ATOM 0 HA3 GLY A 5 0.284 -1.699 -7.532 1.00 41.42 H new ATOM 74 N ILE A 6 2.642 -1.264 -5.776 1.00 71.35 N ATOM 75 CA ILE A 6 4.070 -1.022 -5.617 1.00 43.52 C ATOM 76 C ILE A 6 4.812 -2.309 -5.273 1.00 13.24 C ATOM 77 O ILE A 6 4.331 -3.121 -4.483 1.00 24.22 O ATOM 78 CB ILE A 6 4.345 0.025 -4.521 1.00 73.10 C ATOM 79 CG1 ILE A 6 3.652 1.346 -4.861 1.00 74.24 C ATOM 80 CG2 ILE A 6 5.842 0.234 -4.352 1.00 1.43 C ATOM 81 CD1 ILE A 6 4.066 1.919 -6.198 1.00 63.25 C ATOM 0 H ILE A 6 2.048 -0.700 -5.168 1.00 71.35 H new ATOM 0 HA ILE A 6 4.433 -0.641 -6.572 1.00 43.52 H new ATOM 0 HB ILE A 6 3.941 -0.343 -3.578 1.00 73.10 H new ATOM 0 HG12 ILE A 6 2.573 1.192 -4.859 1.00 74.24 H new ATOM 0 HG13 ILE A 6 3.871 2.074 -4.079 1.00 74.24 H new ATOM 0 HG21 ILE A 6 6.020 0.977 -3.574 1.00 1.43 H new ATOM 0 HG22 ILE A 6 6.311 -0.708 -4.069 1.00 1.43 H new ATOM 0 HG23 ILE A 6 6.269 0.584 -5.292 1.00 1.43 H new ATOM 0 HD11 ILE A 6 3.535 2.855 -6.373 1.00 63.25 H new ATOM 0 HD12 ILE A 6 5.140 2.106 -6.197 1.00 63.25 H new ATOM 0 HD13 ILE A 6 3.822 1.210 -6.989 1.00 63.25 H new ATOM 93 N ALA A 7 5.986 -2.487 -5.869 1.00 52.23 N ATOM 94 CA ALA A 7 6.796 -3.673 -5.623 1.00 31.24 C ATOM 95 C ALA A 7 6.991 -3.903 -4.128 1.00 24.51 C ATOM 96 O ALA A 7 7.138 -2.954 -3.359 1.00 42.11 O ATOM 97 CB ALA A 7 8.142 -3.547 -6.320 1.00 24.13 C ATOM 0 H ALA A 7 6.398 -1.824 -6.526 1.00 52.23 H new ATOM 0 HA ALA A 7 6.268 -4.535 -6.031 1.00 31.24 H new ATOM 0 HB1 ALA A 7 8.736 -4.440 -6.127 1.00 24.13 H new ATOM 0 HB2 ALA A 7 7.987 -3.439 -7.393 1.00 24.13 H new ATOM 0 HB3 ALA A 7 8.668 -2.672 -5.939 1.00 24.13 H new ATOM 103 N GLN A 8 6.991 -5.170 -3.724 1.00 3.30 N ATOM 104 CA GLN A 8 7.167 -5.523 -2.320 1.00 63.24 C ATOM 105 C GLN A 8 8.581 -5.196 -1.850 1.00 32.52 C ATOM 106 O GLN A 8 8.775 -4.663 -0.758 1.00 73.04 O ATOM 107 CB GLN A 8 6.877 -7.010 -2.107 1.00 12.23 C ATOM 108 CG GLN A 8 7.722 -7.926 -2.977 1.00 30.12 C ATOM 109 CD GLN A 8 6.988 -9.190 -3.379 1.00 14.13 C ATOM 110 OE1 GLN A 8 5.902 -9.479 -2.873 1.00 44.55 O ATOM 111 NE2 GLN A 8 7.577 -9.952 -4.293 1.00 12.12 N ATOM 0 H GLN A 8 6.871 -5.968 -4.348 1.00 3.30 H new ATOM 0 HA GLN A 8 6.463 -4.934 -1.732 1.00 63.24 H new ATOM 0 HB2 GLN A 8 7.048 -7.258 -1.060 1.00 12.23 H new ATOM 0 HB3 GLN A 8 5.823 -7.199 -2.312 1.00 12.23 H new ATOM 0 HG2 GLN A 8 8.029 -7.388 -3.874 1.00 30.12 H new ATOM 0 HG3 GLN A 8 8.632 -8.194 -2.439 1.00 30.12 H new ATOM 0 HE21 GLN A 8 8.477 -9.674 -4.686 1.00 12.12 H new ATOM 0 HE22 GLN A 8 7.130 -10.815 -4.603 1.00 12.12 H new ATOM 120 N GLY A 9 9.566 -5.521 -2.682 1.00 22.04 N ATOM 121 CA GLY A 9 10.949 -5.255 -2.333 1.00 4.05 C ATOM 122 C GLY A 9 11.269 -3.773 -2.320 1.00 24.44 C ATOM 123 O GLY A 9 11.964 -3.288 -1.426 1.00 51.41 O ATOM 0 H GLY A 9 9.431 -5.964 -3.591 1.00 22.04 H new ATOM 0 HA2 GLY A 9 11.160 -5.678 -1.351 1.00 4.05 H new ATOM 0 HA3 GLY A 9 11.603 -5.759 -3.044 1.00 4.05 H new ATOM 127 N THR A 10 10.764 -3.051 -3.315 1.00 34.41 N ATOM 128 CA THR A 10 11.002 -1.617 -3.416 1.00 74.24 C ATOM 129 C THR A 10 10.141 -0.845 -2.423 1.00 21.33 C ATOM 130 O THR A 10 10.493 0.259 -2.009 1.00 22.21 O ATOM 131 CB THR A 10 10.714 -1.099 -4.838 1.00 73.22 C ATOM 132 OG1 THR A 10 11.414 -1.895 -5.801 1.00 33.42 O ATOM 133 CG2 THR A 10 11.130 0.357 -4.978 1.00 50.22 C ATOM 0 H THR A 10 10.187 -3.436 -4.063 1.00 34.41 H new ATOM 0 HA THR A 10 12.054 -1.454 -3.183 1.00 74.24 H new ATOM 0 HB THR A 10 9.641 -1.173 -5.017 1.00 73.22 H new ATOM 0 HG1 THR A 10 11.224 -1.560 -6.702 1.00 33.42 H new ATOM 0 HG21 THR A 10 10.917 0.701 -5.990 1.00 50.22 H new ATOM 0 HG22 THR A 10 10.574 0.965 -4.264 1.00 50.22 H new ATOM 0 HG23 THR A 10 12.198 0.451 -4.780 1.00 50.22 H new ATOM 141 N ALA A 11 9.012 -1.434 -2.043 1.00 14.11 N ATOM 142 CA ALA A 11 8.102 -0.802 -1.095 1.00 62.11 C ATOM 143 C ALA A 11 8.844 -0.346 0.157 1.00 51.44 C ATOM 144 O ALA A 11 8.558 0.718 0.705 1.00 53.11 O ATOM 145 CB ALA A 11 6.978 -1.758 -0.726 1.00 15.25 C ATOM 0 H ALA A 11 8.705 -2.348 -2.377 1.00 14.11 H new ATOM 0 HA ALA A 11 7.673 0.079 -1.572 1.00 62.11 H new ATOM 0 HB1 ALA A 11 6.306 -1.273 -0.018 1.00 15.25 H new ATOM 0 HB2 ALA A 11 6.423 -2.031 -1.624 1.00 15.25 H new ATOM 0 HB3 ALA A 11 7.398 -2.655 -0.272 1.00 15.25 H new ATOM 151 N GLU A 12 9.797 -1.158 0.603 1.00 1.42 N ATOM 152 CA GLU A 12 10.578 -0.836 1.792 1.00 62.31 C ATOM 153 C GLU A 12 11.551 0.306 1.511 1.00 30.44 C ATOM 154 O GLU A 12 11.841 1.120 2.388 1.00 35.35 O ATOM 155 CB GLU A 12 11.347 -2.069 2.273 1.00 54.10 C ATOM 156 CG GLU A 12 11.785 -1.984 3.725 1.00 32.54 C ATOM 157 CD GLU A 12 13.068 -2.747 3.993 1.00 72.20 C ATOM 158 OE1 GLU A 12 13.021 -3.995 4.026 1.00 43.44 O ATOM 159 OE2 GLU A 12 14.119 -2.096 4.170 1.00 54.24 O ATOM 0 H GLU A 12 10.047 -2.042 0.160 1.00 1.42 H new ATOM 0 HA GLU A 12 9.888 -0.519 2.574 1.00 62.31 H new ATOM 0 HB2 GLU A 12 10.721 -2.951 2.142 1.00 54.10 H new ATOM 0 HB3 GLU A 12 12.227 -2.206 1.644 1.00 54.10 H new ATOM 0 HG2 GLU A 12 11.925 -0.938 3.998 1.00 32.54 H new ATOM 0 HG3 GLU A 12 10.993 -2.377 4.363 1.00 32.54 H new ATOM 166 N LYS A 13 12.053 0.359 0.282 1.00 22.45 N ATOM 167 CA LYS A 13 12.993 1.400 -0.116 1.00 70.43 C ATOM 168 C LYS A 13 12.302 2.758 -0.187 1.00 64.24 C ATOM 169 O LYS A 13 12.740 3.722 0.441 1.00 30.43 O ATOM 170 CB LYS A 13 13.616 1.061 -1.472 1.00 70.24 C ATOM 171 CG LYS A 13 14.853 1.881 -1.796 1.00 12.14 C ATOM 172 CD LYS A 13 15.118 1.925 -3.291 1.00 72.32 C ATOM 173 CE LYS A 13 16.478 2.531 -3.599 1.00 4.24 C ATOM 174 NZ LYS A 13 17.586 1.571 -3.337 1.00 72.51 N ATOM 0 H LYS A 13 11.824 -0.307 -0.456 1.00 22.45 H new ATOM 0 HA LYS A 13 13.780 1.452 0.636 1.00 70.43 H new ATOM 0 HB2 LYS A 13 13.878 0.003 -1.488 1.00 70.24 H new ATOM 0 HB3 LYS A 13 12.872 1.217 -2.253 1.00 70.24 H new ATOM 0 HG2 LYS A 13 14.727 2.896 -1.418 1.00 12.14 H new ATOM 0 HG3 LYS A 13 15.717 1.455 -1.285 1.00 12.14 H new ATOM 0 HD2 LYS A 13 15.067 0.916 -3.700 1.00 72.32 H new ATOM 0 HD3 LYS A 13 14.339 2.508 -3.782 1.00 72.32 H new ATOM 0 HE2 LYS A 13 16.508 2.844 -4.643 1.00 4.24 H new ATOM 0 HE3 LYS A 13 16.622 3.426 -2.994 1.00 4.24 H new ATOM 0 HZ1 LYS A 13 18.490 1.998 -3.623 1.00 72.51 H new ATOM 0 HZ2 LYS A 13 17.616 1.344 -2.323 1.00 72.51 H new ATOM 0 HZ3 LYS A 13 17.427 0.700 -3.882 1.00 72.51 H new ATOM 188 N VAL A 14 11.220 2.827 -0.956 1.00 61.10 N ATOM 189 CA VAL A 14 10.467 4.066 -1.107 1.00 4.51 C ATOM 190 C VAL A 14 10.090 4.649 0.251 1.00 72.25 C ATOM 191 O VAL A 14 10.164 5.859 0.461 1.00 14.51 O ATOM 192 CB VAL A 14 9.186 3.848 -1.934 1.00 5.21 C ATOM 193 CG1 VAL A 14 9.530 3.587 -3.392 1.00 43.34 C ATOM 194 CG2 VAL A 14 8.369 2.702 -1.357 1.00 42.11 C ATOM 0 H VAL A 14 10.845 2.039 -1.484 1.00 61.10 H new ATOM 0 HA VAL A 14 11.114 4.767 -1.633 1.00 4.51 H new ATOM 0 HB VAL A 14 8.583 4.755 -1.885 1.00 5.21 H new ATOM 0 HG11 VAL A 14 8.613 3.435 -3.961 1.00 43.34 H new ATOM 0 HG12 VAL A 14 10.071 4.442 -3.797 1.00 43.34 H new ATOM 0 HG13 VAL A 14 10.154 2.696 -3.465 1.00 43.34 H new ATOM 0 HG21 VAL A 14 7.467 2.562 -1.953 1.00 42.11 H new ATOM 0 HG22 VAL A 14 8.962 1.787 -1.375 1.00 42.11 H new ATOM 0 HG23 VAL A 14 8.091 2.935 -0.329 1.00 42.11 H new ATOM 204 N VAL A 15 9.685 3.778 1.170 1.00 50.21 N ATOM 205 CA VAL A 15 9.297 4.205 2.509 1.00 51.41 C ATOM 206 C VAL A 15 10.441 4.933 3.207 1.00 73.52 C ATOM 207 O VAL A 15 10.241 5.981 3.820 1.00 30.12 O ATOM 208 CB VAL A 15 8.859 3.009 3.375 1.00 43.12 C ATOM 209 CG1 VAL A 15 8.672 3.438 4.822 1.00 34.21 C ATOM 210 CG2 VAL A 15 7.583 2.391 2.823 1.00 3.23 C ATOM 0 H VAL A 15 9.617 2.773 1.012 1.00 50.21 H new ATOM 0 HA VAL A 15 8.454 4.887 2.392 1.00 51.41 H new ATOM 0 HB VAL A 15 9.644 2.253 3.344 1.00 43.12 H new ATOM 0 HG11 VAL A 15 8.363 2.580 5.419 1.00 34.21 H new ATOM 0 HG12 VAL A 15 9.612 3.830 5.210 1.00 34.21 H new ATOM 0 HG13 VAL A 15 7.907 4.212 4.876 1.00 34.21 H new ATOM 0 HG21 VAL A 15 7.288 1.547 3.447 1.00 3.23 H new ATOM 0 HG22 VAL A 15 6.788 3.137 2.822 1.00 3.23 H new ATOM 0 HG23 VAL A 15 7.757 2.045 1.804 1.00 3.23 H new ATOM 220 N SER A 16 11.640 4.369 3.109 1.00 65.15 N ATOM 221 CA SER A 16 12.817 4.962 3.733 1.00 21.24 C ATOM 222 C SER A 16 12.990 6.414 3.298 1.00 61.33 C ATOM 223 O SER A 16 13.451 7.255 4.070 1.00 2.20 O ATOM 224 CB SER A 16 14.069 4.158 3.377 1.00 3.05 C ATOM 225 OG SER A 16 15.108 4.392 4.312 1.00 2.03 O ATOM 0 H SER A 16 11.822 3.502 2.603 1.00 65.15 H new ATOM 0 HA SER A 16 12.675 4.940 4.813 1.00 21.24 H new ATOM 0 HB2 SER A 16 13.828 3.095 3.354 1.00 3.05 H new ATOM 0 HB3 SER A 16 14.407 4.430 2.377 1.00 3.05 H new ATOM 0 HG SER A 16 15.896 3.866 4.063 1.00 2.03 H new ATOM 231 N LEU A 17 12.617 6.700 2.055 1.00 1.24 N ATOM 232 CA LEU A 17 12.730 8.050 1.515 1.00 42.42 C ATOM 233 C LEU A 17 11.696 8.978 2.144 1.00 35.45 C ATOM 234 O LEU A 17 11.912 10.185 2.248 1.00 54.40 O ATOM 235 CB LEU A 17 12.555 8.029 -0.005 1.00 32.13 C ATOM 236 CG LEU A 17 13.685 8.659 -0.820 1.00 31.32 C ATOM 237 CD1 LEU A 17 13.755 10.157 -0.567 1.00 31.42 C ATOM 238 CD2 LEU A 17 15.015 7.997 -0.488 1.00 15.12 C ATOM 0 H LEU A 17 12.234 6.015 1.403 1.00 1.24 H new ATOM 0 HA LEU A 17 13.724 8.428 1.756 1.00 42.42 H new ATOM 0 HB2 LEU A 17 12.439 6.993 -0.323 1.00 32.13 H new ATOM 0 HB3 LEU A 17 11.626 8.544 -0.251 1.00 32.13 H new ATOM 0 HG LEU A 17 13.477 8.500 -1.878 1.00 31.32 H new ATOM 0 HD11 LEU A 17 14.565 10.588 -1.155 1.00 31.42 H new ATOM 0 HD12 LEU A 17 12.811 10.619 -0.856 1.00 31.42 H new ATOM 0 HD13 LEU A 17 13.939 10.339 0.492 1.00 31.42 H new ATOM 0 HD21 LEU A 17 15.808 8.458 -1.077 1.00 15.12 H new ATOM 0 HD22 LEU A 17 15.230 8.125 0.573 1.00 15.12 H new ATOM 0 HD23 LEU A 17 14.961 6.934 -0.722 1.00 15.12 H new ATOM 250 N ILE A 18 10.573 8.404 2.565 1.00 1.11 N ATOM 251 CA ILE A 18 9.507 9.179 3.188 1.00 70.22 C ATOM 252 C ILE A 18 9.961 9.768 4.519 1.00 32.42 C ATOM 253 O ILE A 18 9.530 10.852 4.909 1.00 71.11 O ATOM 254 CB ILE A 18 8.250 8.320 3.421 1.00 53.42 C ATOM 255 CG1 ILE A 18 7.897 7.540 2.153 1.00 34.43 C ATOM 256 CG2 ILE A 18 7.083 9.196 3.852 1.00 11.32 C ATOM 257 CD1 ILE A 18 6.632 6.719 2.282 1.00 63.04 C ATOM 0 H ILE A 18 10.378 7.406 2.486 1.00 1.11 H new ATOM 0 HA ILE A 18 9.262 9.989 2.501 1.00 70.22 H new ATOM 0 HB ILE A 18 8.458 7.606 4.218 1.00 53.42 H new ATOM 0 HG12 ILE A 18 7.784 8.240 1.325 1.00 34.43 H new ATOM 0 HG13 ILE A 18 8.726 6.879 1.900 1.00 34.43 H new ATOM 0 HG21 ILE A 18 6.202 8.575 4.013 1.00 11.32 H new ATOM 0 HG22 ILE A 18 7.338 9.712 4.778 1.00 11.32 H new ATOM 0 HG23 ILE A 18 6.872 9.930 3.074 1.00 11.32 H new ATOM 0 HD11 ILE A 18 6.443 6.193 1.346 1.00 63.04 H new ATOM 0 HD12 ILE A 18 6.749 5.995 3.088 1.00 63.04 H new ATOM 0 HD13 ILE A 18 5.792 7.377 2.504 1.00 63.04 H new ATOM 269 N ASN A 19 10.835 9.045 5.212 1.00 2.21 N ATOM 270 CA ASN A 19 11.349 9.497 6.500 1.00 23.41 C ATOM 271 C ASN A 19 12.054 10.843 6.363 1.00 72.10 C ATOM 272 O ASN A 19 12.212 11.575 7.340 1.00 73.43 O ATOM 273 CB ASN A 19 12.314 8.460 7.079 1.00 3.02 C ATOM 274 CG ASN A 19 12.594 8.690 8.552 1.00 62.12 C ATOM 275 OD1 ASN A 19 11.734 8.461 9.402 1.00 74.32 O ATOM 276 ND2 ASN A 19 13.803 9.146 8.860 1.00 32.50 N ATOM 0 H ASN A 19 11.202 8.145 4.904 1.00 2.21 H new ATOM 0 HA ASN A 19 10.504 9.617 7.178 1.00 23.41 H new ATOM 0 HB2 ASN A 19 11.896 7.463 6.943 1.00 3.02 H new ATOM 0 HB3 ASN A 19 13.252 8.491 6.524 1.00 3.02 H new ATOM 0 HD21 ASN A 19 14.049 9.320 9.834 1.00 32.50 H new ATOM 0 HD22 ASN A 19 14.485 9.322 8.122 1.00 32.50 H new ATOM 283 N ALA A 20 12.475 11.163 5.144 1.00 74.14 N ATOM 284 CA ALA A 20 13.160 12.422 4.878 1.00 74.22 C ATOM 285 C ALA A 20 12.237 13.611 5.121 1.00 54.00 C ATOM 286 O ALA A 20 12.695 14.737 5.310 1.00 23.22 O ATOM 287 CB ALA A 20 13.688 12.444 3.451 1.00 13.21 C ATOM 0 H ALA A 20 12.354 10.568 4.325 1.00 74.14 H new ATOM 0 HA ALA A 20 14.001 12.502 5.566 1.00 74.22 H new ATOM 0 HB1 ALA A 20 14.197 13.390 3.266 1.00 13.21 H new ATOM 0 HB2 ALA A 20 14.389 11.621 3.310 1.00 13.21 H new ATOM 0 HB3 ALA A 20 12.857 12.337 2.754 1.00 13.21 H new ATOM 293 N GLY A 21 10.932 13.353 5.114 1.00 42.31 N ATOM 294 CA GLY A 21 9.965 14.413 5.334 1.00 4.00 C ATOM 295 C GLY A 21 9.537 15.084 4.044 1.00 32.01 C ATOM 296 O GLY A 21 8.625 15.912 4.040 1.00 44.55 O ATOM 0 H GLY A 21 10.528 12.429 4.960 1.00 42.31 H new ATOM 0 HA2 GLY A 21 9.088 14.003 5.835 1.00 4.00 H new ATOM 0 HA3 GLY A 21 10.394 15.159 6.003 1.00 4.00 H new ATOM 300 N LEU A 22 10.196 14.728 2.947 1.00 75.11 N ATOM 301 CA LEU A 22 9.879 15.303 1.644 1.00 72.30 C ATOM 302 C LEU A 22 8.496 14.860 1.175 1.00 25.00 C ATOM 303 O LEU A 22 8.061 13.743 1.456 1.00 65.53 O ATOM 304 CB LEU A 22 10.934 14.895 0.614 1.00 30.34 C ATOM 305 CG LEU A 22 11.185 13.393 0.469 1.00 11.33 C ATOM 306 CD1 LEU A 22 10.143 12.764 -0.443 1.00 24.23 C ATOM 307 CD2 LEU A 22 12.587 13.136 -0.062 1.00 64.12 C ATOM 0 H LEU A 22 10.953 14.044 2.933 1.00 75.11 H new ATOM 0 HA LEU A 22 9.878 16.388 1.744 1.00 72.30 H new ATOM 0 HB2 LEU A 22 10.636 15.289 -0.358 1.00 30.34 H new ATOM 0 HB3 LEU A 22 11.876 15.377 0.878 1.00 30.34 H new ATOM 0 HG LEU A 22 11.101 12.933 1.453 1.00 11.33 H new ATOM 0 HD11 LEU A 22 10.337 11.695 -0.535 1.00 24.23 H new ATOM 0 HD12 LEU A 22 9.150 12.917 -0.021 1.00 24.23 H new ATOM 0 HD13 LEU A 22 10.194 13.228 -1.428 1.00 24.23 H new ATOM 0 HD21 LEU A 22 12.748 12.062 -0.159 1.00 64.12 H new ATOM 0 HD22 LEU A 22 12.699 13.609 -1.038 1.00 64.12 H new ATOM 0 HD23 LEU A 22 13.320 13.552 0.629 1.00 64.12 H new ATOM 319 N THR A 23 7.810 15.743 0.457 1.00 52.24 N ATOM 320 CA THR A 23 6.478 15.444 -0.053 1.00 35.34 C ATOM 321 C THR A 23 6.547 14.524 -1.266 1.00 53.24 C ATOM 322 O THR A 23 7.625 14.266 -1.801 1.00 70.53 O ATOM 323 CB THR A 23 5.722 16.729 -0.439 1.00 13.01 C ATOM 324 OG1 THR A 23 6.621 17.662 -1.048 1.00 2.12 O ATOM 325 CG2 THR A 23 5.075 17.364 0.783 1.00 54.13 C ATOM 0 H THR A 23 8.155 16.672 0.215 1.00 52.24 H new ATOM 0 HA THR A 23 5.938 14.942 0.750 1.00 35.34 H new ATOM 0 HB THR A 23 4.938 16.464 -1.149 1.00 13.01 H new ATOM 0 HG1 THR A 23 6.132 18.476 -1.292 1.00 2.12 H new ATOM 0 HG21 THR A 23 4.547 18.270 0.486 1.00 54.13 H new ATOM 0 HG22 THR A 23 4.369 16.662 1.227 1.00 54.13 H new ATOM 0 HG23 THR A 23 5.845 17.616 1.513 1.00 54.13 H new ATOM 333 N VAL A 24 5.389 14.033 -1.698 1.00 23.12 N ATOM 334 CA VAL A 24 5.319 13.143 -2.851 1.00 15.14 C ATOM 335 C VAL A 24 6.042 13.741 -4.052 1.00 13.51 C ATOM 336 O VAL A 24 6.558 13.018 -4.903 1.00 13.13 O ATOM 337 CB VAL A 24 3.859 12.845 -3.240 1.00 74.44 C ATOM 338 CG1 VAL A 24 3.111 12.220 -2.073 1.00 30.45 C ATOM 339 CG2 VAL A 24 3.164 14.113 -3.712 1.00 15.03 C ATOM 0 H VAL A 24 4.487 14.237 -1.267 1.00 23.12 H new ATOM 0 HA VAL A 24 5.808 12.212 -2.564 1.00 15.14 H new ATOM 0 HB VAL A 24 3.860 12.130 -4.063 1.00 74.44 H new ATOM 0 HG11 VAL A 24 2.081 12.017 -2.368 1.00 30.45 H new ATOM 0 HG12 VAL A 24 3.597 11.287 -1.787 1.00 30.45 H new ATOM 0 HG13 VAL A 24 3.117 12.907 -1.227 1.00 30.45 H new ATOM 0 HG21 VAL A 24 2.133 13.884 -3.983 1.00 15.03 H new ATOM 0 HG22 VAL A 24 3.173 14.852 -2.911 1.00 15.03 H new ATOM 0 HG23 VAL A 24 3.687 14.513 -4.581 1.00 15.03 H new ATOM 349 N GLY A 25 6.076 15.069 -4.114 1.00 54.34 N ATOM 350 CA GLY A 25 6.738 15.743 -5.215 1.00 44.45 C ATOM 351 C GLY A 25 8.163 15.265 -5.415 1.00 31.10 C ATOM 352 O GLY A 25 8.619 15.106 -6.547 1.00 52.43 O ATOM 0 H GLY A 25 5.657 15.689 -3.421 1.00 54.34 H new ATOM 0 HA2 GLY A 25 6.171 15.579 -6.131 1.00 44.45 H new ATOM 0 HA3 GLY A 25 6.741 16.817 -5.030 1.00 44.45 H new ATOM 356 N SER A 26 8.869 15.036 -4.312 1.00 75.21 N ATOM 357 CA SER A 26 10.252 14.578 -4.371 1.00 13.01 C ATOM 358 C SER A 26 10.326 13.135 -4.862 1.00 1.34 C ATOM 359 O SER A 26 11.280 12.746 -5.536 1.00 2.12 O ATOM 360 CB SER A 26 10.909 14.695 -2.994 1.00 71.13 C ATOM 361 OG SER A 26 12.047 15.538 -3.042 1.00 62.55 O ATOM 0 H SER A 26 8.506 15.160 -3.367 1.00 75.21 H new ATOM 0 HA SER A 26 10.789 15.211 -5.077 1.00 13.01 H new ATOM 0 HB2 SER A 26 10.190 15.090 -2.277 1.00 71.13 H new ATOM 0 HB3 SER A 26 11.200 13.706 -2.641 1.00 71.13 H new ATOM 0 HG SER A 26 12.448 15.598 -2.150 1.00 62.55 H new ATOM 367 N ILE A 27 9.313 12.347 -4.518 1.00 52.42 N ATOM 368 CA ILE A 27 9.262 10.948 -4.924 1.00 41.41 C ATOM 369 C ILE A 27 9.251 10.817 -6.443 1.00 72.23 C ATOM 370 O ILE A 27 9.983 10.006 -7.012 1.00 3.44 O ATOM 371 CB ILE A 27 8.021 10.240 -4.349 1.00 41.15 C ATOM 372 CG1 ILE A 27 7.961 10.422 -2.831 1.00 74.44 C ATOM 373 CG2 ILE A 27 8.040 8.763 -4.711 1.00 74.54 C ATOM 374 CD1 ILE A 27 9.097 9.746 -2.096 1.00 40.23 C ATOM 0 H ILE A 27 8.517 12.654 -3.959 1.00 52.42 H new ATOM 0 HA ILE A 27 10.158 10.471 -4.527 1.00 41.41 H new ATOM 0 HB ILE A 27 7.129 10.690 -4.785 1.00 41.15 H new ATOM 0 HG12 ILE A 27 7.973 11.487 -2.600 1.00 74.44 H new ATOM 0 HG13 ILE A 27 7.014 10.026 -2.463 1.00 74.44 H new ATOM 0 HG21 ILE A 27 7.157 8.276 -4.298 1.00 74.54 H new ATOM 0 HG22 ILE A 27 8.041 8.654 -5.796 1.00 74.54 H new ATOM 0 HG23 ILE A 27 8.936 8.299 -4.299 1.00 74.54 H new ATOM 0 HD11 ILE A 27 8.990 9.917 -1.025 1.00 40.23 H new ATOM 0 HD12 ILE A 27 9.074 8.675 -2.297 1.00 40.23 H new ATOM 0 HD13 ILE A 27 10.047 10.158 -2.436 1.00 40.23 H new ATOM 386 N ILE A 28 8.417 11.620 -7.095 1.00 34.20 N ATOM 387 CA ILE A 28 8.312 11.595 -8.549 1.00 4.04 C ATOM 388 C ILE A 28 9.647 11.940 -9.201 1.00 55.44 C ATOM 389 O ILE A 28 9.995 11.399 -10.251 1.00 34.14 O ATOM 390 CB ILE A 28 7.238 12.576 -9.053 1.00 13.32 C ATOM 391 CG1 ILE A 28 5.922 12.355 -8.303 1.00 43.32 C ATOM 392 CG2 ILE A 28 7.033 12.414 -10.552 1.00 24.34 C ATOM 393 CD1 ILE A 28 5.397 10.941 -8.408 1.00 62.42 C ATOM 0 H ILE A 28 7.804 12.296 -6.639 1.00 34.20 H new ATOM 0 HA ILE A 28 8.025 10.581 -8.828 1.00 4.04 H new ATOM 0 HB ILE A 28 7.578 13.594 -8.861 1.00 13.32 H new ATOM 0 HG12 ILE A 28 6.066 12.603 -7.251 1.00 43.32 H new ATOM 0 HG13 ILE A 28 5.171 13.043 -8.693 1.00 43.32 H new ATOM 0 HG21 ILE A 28 6.271 13.115 -10.893 1.00 24.34 H new ATOM 0 HG22 ILE A 28 7.970 12.616 -11.071 1.00 24.34 H new ATOM 0 HG23 ILE A 28 6.712 11.395 -10.767 1.00 24.34 H new ATOM 0 HD11 ILE A 28 4.463 10.858 -7.853 1.00 62.42 H new ATOM 0 HD12 ILE A 28 5.220 10.695 -9.455 1.00 62.42 H new ATOM 0 HD13 ILE A 28 6.129 10.249 -7.992 1.00 62.42 H new ATOM 405 N SER A 29 10.391 12.844 -8.572 1.00 55.51 N ATOM 406 CA SER A 29 11.686 13.264 -9.092 1.00 45.15 C ATOM 407 C SER A 29 12.666 12.095 -9.117 1.00 64.11 C ATOM 408 O SER A 29 13.549 12.029 -9.973 1.00 60.22 O ATOM 409 CB SER A 29 12.256 14.403 -8.245 1.00 15.43 C ATOM 410 OG SER A 29 11.304 15.441 -8.080 1.00 63.20 O ATOM 0 H SER A 29 10.119 13.300 -7.701 1.00 55.51 H new ATOM 0 HA SER A 29 11.542 13.618 -10.113 1.00 45.15 H new ATOM 0 HB2 SER A 29 12.555 14.020 -7.269 1.00 15.43 H new ATOM 0 HB3 SER A 29 13.153 14.800 -8.720 1.00 15.43 H new ATOM 0 HG SER A 29 10.620 15.158 -7.438 1.00 63.20 H new ATOM 416 N ILE A 30 12.504 11.175 -8.172 1.00 50.21 N ATOM 417 CA ILE A 30 13.373 10.008 -8.085 1.00 52.04 C ATOM 418 C ILE A 30 13.074 9.016 -9.204 1.00 72.21 C ATOM 419 O ILE A 30 13.939 8.709 -10.025 1.00 44.51 O ATOM 420 CB ILE A 30 13.224 9.295 -6.728 1.00 72.25 C ATOM 421 CG1 ILE A 30 13.556 10.254 -5.584 1.00 42.51 C ATOM 422 CG2 ILE A 30 14.120 8.067 -6.674 1.00 62.34 C ATOM 423 CD1 ILE A 30 14.971 10.788 -5.635 1.00 14.33 C ATOM 0 H ILE A 30 11.779 11.215 -7.456 1.00 50.21 H new ATOM 0 HA ILE A 30 14.397 10.368 -8.186 1.00 52.04 H new ATOM 0 HB ILE A 30 12.189 8.971 -6.616 1.00 72.25 H new ATOM 0 HG12 ILE A 30 12.859 11.092 -5.609 1.00 42.51 H new ATOM 0 HG13 ILE A 30 13.404 9.741 -4.635 1.00 42.51 H new ATOM 0 HG21 ILE A 30 14.004 7.574 -5.709 1.00 62.34 H new ATOM 0 HG22 ILE A 30 13.840 7.377 -7.470 1.00 62.34 H new ATOM 0 HG23 ILE A 30 15.159 8.369 -6.804 1.00 62.34 H new ATOM 0 HD11 ILE A 30 15.136 11.461 -4.794 1.00 14.33 H new ATOM 0 HD12 ILE A 30 15.675 9.958 -5.579 1.00 14.33 H new ATOM 0 HD13 ILE A 30 15.122 11.330 -6.569 1.00 14.33 H new ATOM 435 N LEU A 31 11.843 8.518 -9.232 1.00 34.31 N ATOM 436 CA LEU A 31 11.427 7.561 -10.252 1.00 24.33 C ATOM 437 C LEU A 31 11.602 8.145 -11.650 1.00 22.31 C ATOM 438 O LEU A 31 12.061 7.463 -12.566 1.00 35.13 O ATOM 439 CB LEU A 31 9.968 7.155 -10.035 1.00 4.32 C ATOM 440 CG LEU A 31 9.730 6.001 -9.060 1.00 43.41 C ATOM 441 CD1 LEU A 31 10.266 4.699 -9.634 1.00 22.13 C ATOM 442 CD2 LEU A 31 10.375 6.299 -7.714 1.00 72.30 C ATOM 0 H LEU A 31 11.115 8.761 -8.560 1.00 34.31 H new ATOM 0 HA LEU A 31 12.060 6.678 -10.165 1.00 24.33 H new ATOM 0 HB2 LEU A 31 9.419 8.026 -9.677 1.00 4.32 H new ATOM 0 HB3 LEU A 31 9.540 6.883 -11.000 1.00 4.32 H new ATOM 0 HG LEU A 31 8.656 5.893 -8.909 1.00 43.41 H new ATOM 0 HD11 LEU A 31 10.088 3.889 -8.927 1.00 22.13 H new ATOM 0 HD12 LEU A 31 9.758 4.479 -10.573 1.00 22.13 H new ATOM 0 HD13 LEU A 31 11.337 4.794 -9.814 1.00 22.13 H new ATOM 0 HD21 LEU A 31 10.196 5.467 -7.033 1.00 72.30 H new ATOM 0 HD22 LEU A 31 11.448 6.434 -7.847 1.00 72.30 H new ATOM 0 HD23 LEU A 31 9.943 7.209 -7.297 1.00 72.30 H new ATOM 454 N GLY A 32 11.235 9.413 -11.806 1.00 45.22 N ATOM 455 CA GLY A 32 11.361 10.068 -13.095 1.00 4.50 C ATOM 456 C GLY A 32 10.028 10.544 -13.636 1.00 72.15 C ATOM 457 O GLY A 32 9.978 11.388 -14.530 1.00 60.44 O ATOM 0 H GLY A 32 10.853 9.998 -11.063 1.00 45.22 H new ATOM 0 HA2 GLY A 32 12.037 10.918 -13.002 1.00 4.50 H new ATOM 0 HA3 GLY A 32 11.813 9.378 -13.807 1.00 4.50 H new ATOM 461 N GLY A 33 8.942 9.999 -13.094 1.00 45.44 N ATOM 462 CA GLY A 33 7.617 10.384 -13.543 1.00 11.03 C ATOM 463 C GLY A 33 6.697 9.193 -13.722 1.00 20.43 C ATOM 464 O GLY A 33 5.508 9.353 -13.998 1.00 21.12 O ATOM 0 H GLY A 33 8.957 9.298 -12.353 1.00 45.44 H new ATOM 0 HA2 GLY A 33 7.178 11.073 -12.821 1.00 11.03 H new ATOM 0 HA3 GLY A 33 7.699 10.921 -14.488 1.00 11.03 H new ATOM 468 N VAL A 34 7.248 7.993 -13.566 1.00 31.12 N ATOM 469 CA VAL A 34 6.469 6.769 -13.712 1.00 50.15 C ATOM 470 C VAL A 34 5.482 6.605 -12.563 1.00 15.04 C ATOM 471 O VAL A 34 4.375 6.096 -12.747 1.00 23.15 O ATOM 472 CB VAL A 34 7.379 5.528 -13.774 1.00 4.32 C ATOM 473 CG1 VAL A 34 6.558 4.276 -14.039 1.00 61.20 C ATOM 474 CG2 VAL A 34 8.452 5.707 -14.837 1.00 43.42 C ATOM 0 H VAL A 34 8.231 7.843 -13.339 1.00 31.12 H new ATOM 0 HA VAL A 34 5.919 6.854 -14.649 1.00 50.15 H new ATOM 0 HB VAL A 34 7.872 5.412 -12.809 1.00 4.32 H new ATOM 0 HG11 VAL A 34 7.218 3.410 -14.079 1.00 61.20 H new ATOM 0 HG12 VAL A 34 5.831 4.141 -13.238 1.00 61.20 H new ATOM 0 HG13 VAL A 34 6.035 4.378 -14.990 1.00 61.20 H new ATOM 0 HG21 VAL A 34 9.086 4.821 -14.867 1.00 43.42 H new ATOM 0 HG22 VAL A 34 7.981 5.849 -15.809 1.00 43.42 H new ATOM 0 HG23 VAL A 34 9.060 6.580 -14.597 1.00 43.42 H new ATOM 484 N THR A 35 5.888 7.040 -11.374 1.00 11.41 N ATOM 485 CA THR A 35 5.040 6.942 -10.193 1.00 32.51 C ATOM 486 C THR A 35 4.138 8.163 -10.060 1.00 10.32 C ATOM 487 O THR A 35 3.483 8.356 -9.035 1.00 64.40 O ATOM 488 CB THR A 35 5.879 6.795 -8.909 1.00 72.45 C ATOM 489 OG1 THR A 35 5.017 6.646 -7.775 1.00 63.44 O ATOM 490 CG2 THR A 35 6.781 8.003 -8.712 1.00 24.03 C ATOM 0 H THR A 35 6.800 7.464 -11.204 1.00 11.41 H new ATOM 0 HA THR A 35 4.424 6.052 -10.320 1.00 32.51 H new ATOM 0 HB THR A 35 6.504 5.907 -9.008 1.00 72.45 H new ATOM 0 HG1 THR A 35 4.224 7.209 -7.891 1.00 63.44 H new ATOM 0 HG21 THR A 35 7.364 7.877 -7.799 1.00 24.03 H new ATOM 0 HG22 THR A 35 7.455 8.096 -9.563 1.00 24.03 H new ATOM 0 HG23 THR A 35 6.171 8.903 -8.632 1.00 24.03 H new ATOM 498 N VAL A 36 4.107 8.987 -11.103 1.00 4.14 N ATOM 499 CA VAL A 36 3.284 10.190 -11.103 1.00 12.24 C ATOM 500 C VAL A 36 1.834 9.863 -10.764 1.00 53.42 C ATOM 501 O VAL A 36 1.102 10.705 -10.244 1.00 71.52 O ATOM 502 CB VAL A 36 3.333 10.904 -12.467 1.00 32.13 C ATOM 503 CG1 VAL A 36 2.686 10.045 -13.543 1.00 23.24 C ATOM 504 CG2 VAL A 36 2.656 12.264 -12.381 1.00 24.34 C ATOM 0 H VAL A 36 4.643 8.843 -11.959 1.00 4.14 H new ATOM 0 HA VAL A 36 3.692 10.853 -10.340 1.00 12.24 H new ATOM 0 HB VAL A 36 4.377 11.060 -12.739 1.00 32.13 H new ATOM 0 HG11 VAL A 36 2.730 10.566 -14.500 1.00 23.24 H new ATOM 0 HG12 VAL A 36 3.219 9.097 -13.621 1.00 23.24 H new ATOM 0 HG13 VAL A 36 1.645 9.856 -13.280 1.00 23.24 H new ATOM 0 HG21 VAL A 36 2.700 12.754 -13.353 1.00 24.34 H new ATOM 0 HG22 VAL A 36 1.615 12.134 -12.087 1.00 24.34 H new ATOM 0 HG23 VAL A 36 3.168 12.879 -11.641 1.00 24.34 H new ATOM 514 N GLY A 37 1.424 8.634 -11.063 1.00 4.02 N ATOM 515 CA GLY A 37 0.063 8.217 -10.783 1.00 31.02 C ATOM 516 C GLY A 37 -0.089 7.629 -9.394 1.00 54.00 C ATOM 517 O GLY A 37 -1.076 7.892 -8.705 1.00 1.21 O ATOM 0 H GLY A 37 2.011 7.920 -11.494 1.00 4.02 H new ATOM 0 HA2 GLY A 37 -0.605 9.072 -10.887 1.00 31.02 H new ATOM 0 HA3 GLY A 37 -0.247 7.479 -11.523 1.00 31.02 H new ATOM 521 N LEU A 38 0.888 6.829 -8.982 1.00 11.34 N ATOM 522 CA LEU A 38 0.858 6.200 -7.666 1.00 12.44 C ATOM 523 C LEU A 38 0.972 7.245 -6.560 1.00 64.01 C ATOM 524 O LEU A 38 0.459 7.055 -5.457 1.00 40.25 O ATOM 525 CB LEU A 38 1.992 5.181 -7.540 1.00 14.34 C ATOM 526 CG LEU A 38 1.739 3.814 -8.176 1.00 42.22 C ATOM 527 CD1 LEU A 38 0.506 3.162 -7.570 1.00 4.35 C ATOM 528 CD2 LEU A 38 1.586 3.948 -9.684 1.00 44.13 C ATOM 0 H LEU A 38 1.711 6.600 -9.540 1.00 11.34 H new ATOM 0 HA LEU A 38 -0.097 5.686 -7.558 1.00 12.44 H new ATOM 0 HB2 LEU A 38 2.889 5.608 -7.989 1.00 14.34 H new ATOM 0 HB3 LEU A 38 2.205 5.033 -6.481 1.00 14.34 H new ATOM 0 HG LEU A 38 2.599 3.176 -7.972 1.00 42.22 H new ATOM 0 HD11 LEU A 38 0.342 2.190 -8.036 1.00 4.35 H new ATOM 0 HD12 LEU A 38 0.654 3.031 -6.498 1.00 4.35 H new ATOM 0 HD13 LEU A 38 -0.363 3.797 -7.741 1.00 4.35 H new ATOM 0 HD21 LEU A 38 1.407 2.965 -10.120 1.00 44.13 H new ATOM 0 HD22 LEU A 38 0.744 4.603 -9.907 1.00 44.13 H new ATOM 0 HD23 LEU A 38 2.497 4.371 -10.106 1.00 44.13 H new ATOM 540 N SER A 39 1.647 8.349 -6.864 1.00 3.02 N ATOM 541 CA SER A 39 1.831 9.424 -5.895 1.00 74.33 C ATOM 542 C SER A 39 0.488 9.894 -5.345 1.00 54.34 C ATOM 543 O SER A 39 0.404 10.398 -4.226 1.00 45.22 O ATOM 544 CB SER A 39 2.571 10.598 -6.539 1.00 32.13 C ATOM 545 OG SER A 39 2.088 10.850 -7.847 1.00 64.51 O ATOM 0 H SER A 39 2.075 8.523 -7.773 1.00 3.02 H new ATOM 0 HA SER A 39 2.427 9.038 -5.068 1.00 74.33 H new ATOM 0 HB2 SER A 39 2.449 11.490 -5.925 1.00 32.13 H new ATOM 0 HB3 SER A 39 3.639 10.382 -6.578 1.00 32.13 H new ATOM 0 HG SER A 39 2.458 11.696 -8.175 1.00 64.51 H new ATOM 551 N GLY A 40 -0.563 9.726 -6.142 1.00 73.45 N ATOM 552 CA GLY A 40 -1.889 10.138 -5.720 1.00 21.14 C ATOM 553 C GLY A 40 -2.266 9.575 -4.364 1.00 32.22 C ATOM 554 O GLY A 40 -3.002 10.205 -3.605 1.00 14.14 O ATOM 0 H GLY A 40 -0.520 9.312 -7.073 1.00 73.45 H new ATOM 0 HA2 GLY A 40 -1.934 11.226 -5.683 1.00 21.14 H new ATOM 0 HA3 GLY A 40 -2.620 9.814 -6.461 1.00 21.14 H new ATOM 558 N VAL A 41 -1.762 8.383 -4.059 1.00 14.25 N ATOM 559 CA VAL A 41 -2.051 7.734 -2.785 1.00 53.52 C ATOM 560 C VAL A 41 -0.852 7.808 -1.846 1.00 73.05 C ATOM 561 O VAL A 41 -0.997 7.711 -0.628 1.00 34.33 O ATOM 562 CB VAL A 41 -2.444 6.258 -2.984 1.00 12.53 C ATOM 563 CG1 VAL A 41 -3.734 6.152 -3.783 1.00 31.14 C ATOM 564 CG2 VAL A 41 -1.320 5.495 -3.667 1.00 45.41 C ATOM 0 H VAL A 41 -1.152 7.847 -4.676 1.00 14.25 H new ATOM 0 HA VAL A 41 -2.890 8.269 -2.340 1.00 53.52 H new ATOM 0 HB VAL A 41 -2.613 5.810 -2.005 1.00 12.53 H new ATOM 0 HG11 VAL A 41 -3.996 5.102 -3.914 1.00 31.14 H new ATOM 0 HG12 VAL A 41 -4.536 6.662 -3.249 1.00 31.14 H new ATOM 0 HG13 VAL A 41 -3.596 6.616 -4.760 1.00 31.14 H new ATOM 0 HG21 VAL A 41 -1.615 4.454 -3.800 1.00 45.41 H new ATOM 0 HG22 VAL A 41 -1.116 5.941 -4.640 1.00 45.41 H new ATOM 0 HG23 VAL A 41 -0.422 5.542 -3.051 1.00 45.41 H new ATOM 574 N PHE A 42 0.333 7.981 -2.422 1.00 20.11 N ATOM 575 CA PHE A 42 1.559 8.067 -1.637 1.00 12.23 C ATOM 576 C PHE A 42 1.421 9.105 -0.526 1.00 63.51 C ATOM 577 O PHE A 42 1.836 8.874 0.610 1.00 35.35 O ATOM 578 CB PHE A 42 2.743 8.422 -2.538 1.00 40.51 C ATOM 579 CG PHE A 42 4.077 8.084 -1.936 1.00 40.14 C ATOM 580 CD1 PHE A 42 4.643 8.900 -0.970 1.00 34.34 C ATOM 581 CD2 PHE A 42 4.765 6.950 -2.337 1.00 41.32 C ATOM 582 CE1 PHE A 42 5.870 8.591 -0.415 1.00 63.00 C ATOM 583 CE2 PHE A 42 5.993 6.636 -1.786 1.00 1.21 C ATOM 584 CZ PHE A 42 6.546 7.457 -0.823 1.00 12.33 C ATOM 0 H PHE A 42 0.470 8.064 -3.429 1.00 20.11 H new ATOM 0 HA PHE A 42 1.738 7.093 -1.181 1.00 12.23 H new ATOM 0 HB2 PHE A 42 2.638 7.896 -3.487 1.00 40.51 H new ATOM 0 HB3 PHE A 42 2.713 9.489 -2.760 1.00 40.51 H new ATOM 0 HD1 PHE A 42 4.119 9.788 -0.647 1.00 34.34 H new ATOM 0 HD2 PHE A 42 4.337 6.304 -3.089 1.00 41.32 H new ATOM 0 HE1 PHE A 42 6.300 9.235 0.337 1.00 63.00 H new ATOM 0 HE2 PHE A 42 6.519 5.750 -2.108 1.00 1.21 H new ATOM 0 HZ PHE A 42 7.505 7.213 -0.390 1.00 12.33 H new ATOM 594 N THR A 43 0.837 10.250 -0.863 1.00 52.03 N ATOM 595 CA THR A 43 0.646 11.324 0.103 1.00 14.10 C ATOM 596 C THR A 43 -0.192 10.856 1.287 1.00 33.41 C ATOM 597 O THR A 43 0.162 11.090 2.442 1.00 65.20 O ATOM 598 CB THR A 43 -0.036 12.546 -0.542 1.00 63.41 C ATOM 599 OG1 THR A 43 0.226 12.566 -1.950 1.00 35.51 O ATOM 600 CG2 THR A 43 0.460 13.838 0.089 1.00 22.11 C ATOM 0 H THR A 43 0.488 10.458 -1.799 1.00 52.03 H new ATOM 0 HA THR A 43 1.637 11.613 0.454 1.00 14.10 H new ATOM 0 HB THR A 43 -1.110 12.467 -0.373 1.00 63.41 H new ATOM 0 HG1 THR A 43 -0.212 13.344 -2.353 1.00 35.51 H new ATOM 0 HG21 THR A 43 -0.035 14.687 -0.382 1.00 22.11 H new ATOM 0 HG22 THR A 43 0.234 13.832 1.155 1.00 22.11 H new ATOM 0 HG23 THR A 43 1.537 13.922 -0.053 1.00 22.11 H new ATOM 608 N ALA A 44 -1.306 10.192 0.993 1.00 45.13 N ATOM 609 CA ALA A 44 -2.193 9.688 2.034 1.00 44.22 C ATOM 610 C ALA A 44 -1.518 8.587 2.844 1.00 21.41 C ATOM 611 O ALA A 44 -1.812 8.402 4.025 1.00 30.12 O ATOM 612 CB ALA A 44 -3.488 9.177 1.421 1.00 14.44 C ATOM 0 H ALA A 44 -1.615 9.991 0.042 1.00 45.13 H new ATOM 0 HA ALA A 44 -2.424 10.511 2.711 1.00 44.22 H new ATOM 0 HB1 ALA A 44 -4.141 8.803 2.210 1.00 14.44 H new ATOM 0 HB2 ALA A 44 -3.986 9.990 0.892 1.00 14.44 H new ATOM 0 HB3 ALA A 44 -3.266 8.371 0.721 1.00 14.44 H new ATOM 618 N VAL A 45 -0.612 7.856 2.202 1.00 41.12 N ATOM 619 CA VAL A 45 0.105 6.773 2.863 1.00 21.52 C ATOM 620 C VAL A 45 0.971 7.301 4.001 1.00 21.23 C ATOM 621 O VAL A 45 1.081 6.674 5.055 1.00 23.03 O ATOM 622 CB VAL A 45 0.995 6.001 1.871 1.00 22.31 C ATOM 623 CG1 VAL A 45 1.761 4.898 2.587 1.00 52.15 C ATOM 624 CG2 VAL A 45 0.157 5.430 0.737 1.00 23.20 C ATOM 0 H VAL A 45 -0.357 7.995 1.224 1.00 41.12 H new ATOM 0 HA VAL A 45 -0.648 6.096 3.267 1.00 21.52 H new ATOM 0 HB VAL A 45 1.719 6.695 1.444 1.00 22.31 H new ATOM 0 HG11 VAL A 45 2.384 4.363 1.870 1.00 52.15 H new ATOM 0 HG12 VAL A 45 2.392 5.336 3.360 1.00 52.15 H new ATOM 0 HG13 VAL A 45 1.056 4.203 3.044 1.00 52.15 H new ATOM 0 HG21 VAL A 45 0.802 4.888 0.045 1.00 23.20 H new ATOM 0 HG22 VAL A 45 -0.591 4.750 1.144 1.00 23.20 H new ATOM 0 HG23 VAL A 45 -0.341 6.242 0.208 1.00 23.20 H new ATOM 634 N LYS A 46 1.585 8.459 3.782 1.00 34.20 N ATOM 635 CA LYS A 46 2.440 9.074 4.789 1.00 5.52 C ATOM 636 C LYS A 46 1.716 9.181 6.127 1.00 20.03 C ATOM 637 O LYS A 46 2.267 8.833 7.171 1.00 33.52 O ATOM 638 CB LYS A 46 2.888 10.463 4.328 1.00 43.23 C ATOM 639 CG LYS A 46 3.808 11.164 5.313 1.00 52.33 C ATOM 640 CD LYS A 46 4.190 12.553 4.828 1.00 74.22 C ATOM 641 CE LYS A 46 5.005 13.302 5.870 1.00 2.41 C ATOM 642 NZ LYS A 46 4.137 14.055 6.817 1.00 1.14 N ATOM 0 H LYS A 46 1.506 8.990 2.915 1.00 34.20 H new ATOM 0 HA LYS A 46 3.317 8.440 4.920 1.00 5.52 H new ATOM 0 HB2 LYS A 46 3.398 10.371 3.369 1.00 43.23 H new ATOM 0 HB3 LYS A 46 2.007 11.083 4.162 1.00 43.23 H new ATOM 0 HG2 LYS A 46 3.315 11.239 6.282 1.00 52.33 H new ATOM 0 HG3 LYS A 46 4.709 10.568 5.458 1.00 52.33 H new ATOM 0 HD2 LYS A 46 4.764 12.472 3.905 1.00 74.22 H new ATOM 0 HD3 LYS A 46 3.288 13.119 4.594 1.00 74.22 H new ATOM 0 HE2 LYS A 46 5.621 12.595 6.426 1.00 2.41 H new ATOM 0 HE3 LYS A 46 5.684 13.994 5.371 1.00 2.41 H new ATOM 0 HZ1 LYS A 46 4.730 14.552 7.512 1.00 1.14 H new ATOM 0 HZ2 LYS A 46 3.567 14.747 6.290 1.00 1.14 H new ATOM 0 HZ3 LYS A 46 3.506 13.392 7.312 1.00 1.14 H new ATOM 656 N ALA A 47 0.478 9.663 6.088 1.00 3.32 N ATOM 657 CA ALA A 47 -0.322 9.812 7.297 1.00 32.13 C ATOM 658 C ALA A 47 -0.599 8.458 7.943 1.00 44.25 C ATOM 659 O ALA A 47 -0.729 8.356 9.162 1.00 53.41 O ATOM 660 CB ALA A 47 -1.629 10.525 6.981 1.00 62.41 C ATOM 0 H ALA A 47 0.008 9.957 5.232 1.00 3.32 H new ATOM 0 HA ALA A 47 0.246 10.414 8.006 1.00 32.13 H new ATOM 0 HB1 ALA A 47 -2.216 10.629 7.893 1.00 62.41 H new ATOM 0 HB2 ALA A 47 -1.415 11.513 6.572 1.00 62.41 H new ATOM 0 HB3 ALA A 47 -2.193 9.944 6.251 1.00 62.41 H new ATOM 666 N ALA A 48 -0.687 7.421 7.116 1.00 11.12 N ATOM 667 CA ALA A 48 -0.947 6.073 7.607 1.00 43.30 C ATOM 668 C ALA A 48 0.108 5.646 8.622 1.00 13.24 C ATOM 669 O ALA A 48 -0.209 5.017 9.633 1.00 50.34 O ATOM 670 CB ALA A 48 -0.995 5.089 6.447 1.00 5.53 C ATOM 0 H ALA A 48 -0.582 7.489 6.104 1.00 11.12 H new ATOM 0 HA ALA A 48 -1.915 6.075 8.107 1.00 43.30 H new ATOM 0 HB1 ALA A 48 -1.190 4.087 6.828 1.00 5.53 H new ATOM 0 HB2 ALA A 48 -1.790 5.376 5.759 1.00 5.53 H new ATOM 0 HB3 ALA A 48 -0.040 5.098 5.922 1.00 5.53 H new ATOM 676 N ILE A 49 1.361 5.991 8.347 1.00 21.05 N ATOM 677 CA ILE A 49 2.461 5.643 9.238 1.00 44.11 C ATOM 678 C ILE A 49 2.217 6.174 10.647 1.00 65.25 C ATOM 679 O ILE A 49 2.229 5.417 11.617 1.00 65.13 O ATOM 680 CB ILE A 49 3.802 6.195 8.718 1.00 0.04 C ATOM 681 CG1 ILE A 49 4.094 5.652 7.318 1.00 12.10 C ATOM 682 CG2 ILE A 49 4.929 5.838 9.676 1.00 33.33 C ATOM 683 CD1 ILE A 49 5.221 6.374 6.613 1.00 72.32 C ATOM 0 H ILE A 49 1.640 6.511 7.515 1.00 21.05 H new ATOM 0 HA ILE A 49 2.512 4.555 9.267 1.00 44.11 H new ATOM 0 HB ILE A 49 3.732 7.281 8.658 1.00 0.04 H new ATOM 0 HG12 ILE A 49 4.342 4.593 7.392 1.00 12.10 H new ATOM 0 HG13 ILE A 49 3.191 5.726 6.713 1.00 12.10 H new ATOM 0 HG21 ILE A 49 5.870 6.235 9.295 1.00 33.33 H new ATOM 0 HG22 ILE A 49 4.724 6.269 10.656 1.00 33.33 H new ATOM 0 HG23 ILE A 49 5.002 4.754 9.764 1.00 33.33 H new ATOM 0 HD11 ILE A 49 5.373 5.936 5.626 1.00 72.32 H new ATOM 0 HD12 ILE A 49 4.967 7.429 6.507 1.00 72.32 H new ATOM 0 HD13 ILE A 49 6.136 6.278 7.197 1.00 72.32 H new ATOM 695 N ALA A 50 1.995 7.480 10.750 1.00 34.15 N ATOM 696 CA ALA A 50 1.744 8.112 12.040 1.00 73.22 C ATOM 697 C ALA A 50 0.453 7.592 12.664 1.00 1.00 C ATOM 698 O ALA A 50 0.282 7.627 13.883 1.00 44.32 O ATOM 699 CB ALA A 50 1.685 9.624 11.884 1.00 41.22 C ATOM 0 H ALA A 50 1.984 8.121 9.957 1.00 34.15 H new ATOM 0 HA ALA A 50 2.567 7.858 12.708 1.00 73.22 H new ATOM 0 HB1 ALA A 50 1.497 10.083 12.855 1.00 41.22 H new ATOM 0 HB2 ALA A 50 2.634 9.986 11.489 1.00 41.22 H new ATOM 0 HB3 ALA A 50 0.881 9.888 11.196 1.00 41.22 H new ATOM 705 N LYS A 51 -0.454 7.110 11.821 1.00 10.22 N ATOM 706 CA LYS A 51 -1.730 6.582 12.289 1.00 1.14 C ATOM 707 C LYS A 51 -1.557 5.187 12.880 1.00 33.44 C ATOM 708 O LYS A 51 -2.202 4.838 13.869 1.00 74.13 O ATOM 709 CB LYS A 51 -2.740 6.540 11.141 1.00 71.44 C ATOM 710 CG LYS A 51 -4.187 6.525 11.603 1.00 22.41 C ATOM 711 CD LYS A 51 -4.663 7.915 11.990 1.00 21.45 C ATOM 712 CE LYS A 51 -5.213 8.670 10.790 1.00 31.14 C ATOM 713 NZ LYS A 51 -5.319 10.131 11.056 1.00 43.44 N ATOM 0 H LYS A 51 -0.329 7.074 10.809 1.00 10.22 H new ATOM 0 HA LYS A 51 -2.105 7.244 13.070 1.00 1.14 H new ATOM 0 HB2 LYS A 51 -2.582 7.405 10.498 1.00 71.44 H new ATOM 0 HB3 LYS A 51 -2.552 5.654 10.535 1.00 71.44 H new ATOM 0 HG2 LYS A 51 -4.820 6.131 10.808 1.00 22.41 H new ATOM 0 HG3 LYS A 51 -4.291 5.853 12.455 1.00 22.41 H new ATOM 0 HD2 LYS A 51 -5.434 7.836 12.756 1.00 21.45 H new ATOM 0 HD3 LYS A 51 -3.836 8.476 12.426 1.00 21.45 H new ATOM 0 HE2 LYS A 51 -4.566 8.504 9.929 1.00 31.14 H new ATOM 0 HE3 LYS A 51 -6.196 8.275 10.532 1.00 31.14 H new ATOM 0 HZ1 LYS A 51 -5.698 10.611 10.214 1.00 43.44 H new ATOM 0 HZ2 LYS A 51 -5.956 10.292 11.862 1.00 43.44 H new ATOM 0 HZ3 LYS A 51 -4.377 10.513 11.277 1.00 43.44 H new ATOM 727 N GLN A 52 -0.682 4.394 12.270 1.00 53.25 N ATOM 728 CA GLN A 52 -0.425 3.037 12.737 1.00 53.21 C ATOM 729 C GLN A 52 1.073 2.772 12.841 1.00 0.02 C ATOM 730 O GLN A 52 1.631 2.726 13.937 1.00 53.32 O ATOM 731 CB GLN A 52 -1.071 2.020 11.795 1.00 61.23 C ATOM 732 CG GLN A 52 -2.563 1.838 12.025 1.00 5.31 C ATOM 733 CD GLN A 52 -3.275 1.269 10.814 1.00 12.41 C ATOM 734 OE1 GLN A 52 -2.755 1.306 9.699 1.00 44.42 O ATOM 735 NE2 GLN A 52 -4.473 0.738 11.027 1.00 14.33 N ATOM 0 H GLN A 52 -0.139 4.668 11.451 1.00 53.25 H new ATOM 0 HA GLN A 52 -0.864 2.932 13.729 1.00 53.21 H new ATOM 0 HB2 GLN A 52 -0.907 2.336 10.765 1.00 61.23 H new ATOM 0 HB3 GLN A 52 -0.573 1.058 11.916 1.00 61.23 H new ATOM 0 HG2 GLN A 52 -2.717 1.176 12.877 1.00 5.31 H new ATOM 0 HG3 GLN A 52 -3.007 2.799 12.284 1.00 5.31 H new ATOM 0 HE21 GLN A 52 -4.867 0.728 11.968 1.00 14.33 H new ATOM 0 HE22 GLN A 52 -5.000 0.340 10.250 1.00 14.33 H new ATOM 744 N GLY A 53 1.720 2.597 11.693 1.00 54.45 N ATOM 745 CA GLY A 53 3.147 2.338 11.677 1.00 45.30 C ATOM 746 C GLY A 53 3.671 2.061 10.282 1.00 62.21 C ATOM 747 O GLY A 53 2.931 1.593 9.416 1.00 43.33 O ATOM 0 H GLY A 53 1.281 2.630 10.773 1.00 54.45 H new ATOM 0 HA2 GLY A 53 3.673 3.196 12.096 1.00 45.30 H new ATOM 0 HA3 GLY A 53 3.365 1.485 12.320 1.00 45.30 H new ATOM 751 N ILE A 54 4.949 2.350 10.063 1.00 43.50 N ATOM 752 CA ILE A 54 5.570 2.130 8.763 1.00 64.51 C ATOM 753 C ILE A 54 5.329 0.706 8.273 1.00 24.44 C ATOM 754 O ILE A 54 5.158 0.469 7.077 1.00 23.34 O ATOM 755 CB ILE A 54 7.087 2.394 8.811 1.00 12.12 C ATOM 756 CG1 ILE A 54 7.723 1.631 9.975 1.00 70.55 C ATOM 757 CG2 ILE A 54 7.361 3.885 8.936 1.00 14.35 C ATOM 758 CD1 ILE A 54 9.219 1.826 10.079 1.00 23.13 C ATOM 0 H ILE A 54 5.575 2.737 10.769 1.00 43.50 H new ATOM 0 HA ILE A 54 5.109 2.834 8.070 1.00 64.51 H new ATOM 0 HB ILE A 54 7.532 2.039 7.882 1.00 12.12 H new ATOM 0 HG12 ILE A 54 7.257 1.952 10.907 1.00 70.55 H new ATOM 0 HG13 ILE A 54 7.510 0.568 9.862 1.00 70.55 H new ATOM 0 HG21 ILE A 54 8.437 4.056 8.969 1.00 14.35 H new ATOM 0 HG22 ILE A 54 6.937 4.406 8.078 1.00 14.35 H new ATOM 0 HG23 ILE A 54 6.906 4.263 9.851 1.00 14.35 H new ATOM 0 HD11 ILE A 54 9.602 1.256 10.926 1.00 23.13 H new ATOM 0 HD12 ILE A 54 9.696 1.479 9.162 1.00 23.13 H new ATOM 0 HD13 ILE A 54 9.439 2.884 10.224 1.00 23.13 H new ATOM 770 N LYS A 55 5.315 -0.240 9.206 1.00 23.44 N ATOM 771 CA LYS A 55 5.092 -1.642 8.872 1.00 10.02 C ATOM 772 C LYS A 55 3.778 -1.819 8.119 1.00 54.13 C ATOM 773 O LYS A 55 3.715 -2.532 7.117 1.00 44.44 O ATOM 774 CB LYS A 55 5.083 -2.495 10.143 1.00 73.34 C ATOM 775 CG LYS A 55 4.104 -2.007 11.196 1.00 11.33 C ATOM 776 CD LYS A 55 4.334 -2.693 12.532 1.00 21.22 C ATOM 777 CE LYS A 55 5.542 -2.116 13.255 1.00 70.35 C ATOM 778 NZ LYS A 55 5.249 -0.782 13.847 1.00 34.14 N ATOM 0 H LYS A 55 5.456 -0.061 10.200 1.00 23.44 H new ATOM 0 HA LYS A 55 5.907 -1.970 8.227 1.00 10.02 H new ATOM 0 HB2 LYS A 55 4.836 -3.523 9.879 1.00 73.34 H new ATOM 0 HB3 LYS A 55 6.086 -2.507 10.569 1.00 73.34 H new ATOM 0 HG2 LYS A 55 4.206 -0.929 11.317 1.00 11.33 H new ATOM 0 HG3 LYS A 55 3.084 -2.195 10.861 1.00 11.33 H new ATOM 0 HD2 LYS A 55 3.448 -2.582 13.157 1.00 21.22 H new ATOM 0 HD3 LYS A 55 4.480 -3.761 12.373 1.00 21.22 H new ATOM 0 HE2 LYS A 55 5.856 -2.802 14.042 1.00 70.35 H new ATOM 0 HE3 LYS A 55 6.375 -2.029 12.558 1.00 70.35 H new ATOM 0 HZ1 LYS A 55 6.055 -0.476 14.429 1.00 34.14 H new ATOM 0 HZ2 LYS A 55 5.090 -0.092 13.086 1.00 34.14 H new ATOM 0 HZ3 LYS A 55 4.397 -0.845 14.440 1.00 34.14 H new ATOM 792 N LYS A 56 2.729 -1.165 8.606 1.00 12.21 N ATOM 793 CA LYS A 56 1.416 -1.247 7.978 1.00 54.02 C ATOM 794 C LYS A 56 1.436 -0.614 6.590 1.00 12.01 C ATOM 795 O LYS A 56 0.804 -1.114 5.660 1.00 35.04 O ATOM 796 CB LYS A 56 0.366 -0.555 8.850 1.00 32.23 C ATOM 797 CG LYS A 56 -0.095 -1.395 10.029 1.00 23.10 C ATOM 798 CD LYS A 56 -1.049 -2.494 9.592 1.00 53.51 C ATOM 799 CE LYS A 56 -2.471 -1.972 9.447 1.00 4.32 C ATOM 800 NZ LYS A 56 -3.463 -3.079 9.374 1.00 34.32 N ATOM 0 H LYS A 56 2.763 -0.572 9.435 1.00 12.21 H new ATOM 0 HA LYS A 56 1.156 -2.301 7.874 1.00 54.02 H new ATOM 0 HB2 LYS A 56 0.776 0.384 9.222 1.00 32.23 H new ATOM 0 HB3 LYS A 56 -0.497 -0.304 8.234 1.00 32.23 H new ATOM 0 HG2 LYS A 56 0.771 -1.838 10.522 1.00 23.10 H new ATOM 0 HG3 LYS A 56 -0.587 -0.756 10.762 1.00 23.10 H new ATOM 0 HD2 LYS A 56 -0.715 -2.911 8.642 1.00 53.51 H new ATOM 0 HD3 LYS A 56 -1.030 -3.305 10.320 1.00 53.51 H new ATOM 0 HE2 LYS A 56 -2.709 -1.326 10.292 1.00 4.32 H new ATOM 0 HE3 LYS A 56 -2.543 -1.360 8.548 1.00 4.32 H new ATOM 0 HZ1 LYS A 56 -4.419 -2.682 9.276 1.00 34.32 H new ATOM 0 HZ2 LYS A 56 -3.252 -3.681 8.553 1.00 34.32 H new ATOM 0 HZ3 LYS A 56 -3.412 -3.649 10.243 1.00 34.32 H new ATOM 814 N ALA A 57 2.167 0.488 6.458 1.00 63.31 N ATOM 815 CA ALA A 57 2.272 1.186 5.183 1.00 45.31 C ATOM 816 C ALA A 57 2.793 0.259 4.090 1.00 31.10 C ATOM 817 O ALA A 57 2.420 0.388 2.924 1.00 55.23 O ATOM 818 CB ALA A 57 3.176 2.402 5.321 1.00 44.55 C ATOM 0 H ALA A 57 2.695 0.916 7.218 1.00 63.31 H new ATOM 0 HA ALA A 57 1.274 1.518 4.896 1.00 45.31 H new ATOM 0 HB1 ALA A 57 3.246 2.914 4.361 1.00 44.55 H new ATOM 0 HB2 ALA A 57 2.761 3.081 6.066 1.00 44.55 H new ATOM 0 HB3 ALA A 57 4.170 2.083 5.635 1.00 44.55 H new ATOM 824 N ILE A 58 3.657 -0.675 4.475 1.00 55.35 N ATOM 825 CA ILE A 58 4.227 -1.623 3.527 1.00 64.54 C ATOM 826 C ILE A 58 3.136 -2.434 2.835 1.00 22.05 C ATOM 827 O ILE A 58 3.018 -2.415 1.611 1.00 71.33 O ATOM 828 CB ILE A 58 5.208 -2.589 4.218 1.00 44.21 C ATOM 829 CG1 ILE A 58 6.338 -1.807 4.891 1.00 11.25 C ATOM 830 CG2 ILE A 58 5.771 -3.582 3.212 1.00 31.23 C ATOM 831 CD1 ILE A 58 7.209 -2.657 5.790 1.00 12.31 C ATOM 0 H ILE A 58 3.977 -0.795 5.436 1.00 55.35 H new ATOM 0 HA ILE A 58 4.768 -1.038 2.783 1.00 64.54 H new ATOM 0 HB ILE A 58 4.668 -3.145 4.985 1.00 44.21 H new ATOM 0 HG12 ILE A 58 6.961 -1.350 4.122 1.00 11.25 H new ATOM 0 HG13 ILE A 58 5.908 -0.995 5.477 1.00 11.25 H new ATOM 0 HG21 ILE A 58 6.462 -4.258 3.716 1.00 31.23 H new ATOM 0 HG22 ILE A 58 4.956 -4.158 2.774 1.00 31.23 H new ATOM 0 HG23 ILE A 58 6.299 -3.043 2.425 1.00 31.23 H new ATOM 0 HD11 ILE A 58 7.988 -2.037 6.233 1.00 12.31 H new ATOM 0 HD12 ILE A 58 6.599 -3.093 6.581 1.00 12.31 H new ATOM 0 HD13 ILE A 58 7.668 -3.454 5.204 1.00 12.31 H new ATOM 843 N GLN A 59 2.341 -3.143 3.630 1.00 74.24 N ATOM 844 CA GLN A 59 1.258 -3.960 3.094 1.00 51.44 C ATOM 845 C GLN A 59 0.374 -3.144 2.156 1.00 14.34 C ATOM 846 O GLN A 59 -0.167 -3.669 1.182 1.00 14.23 O ATOM 847 CB GLN A 59 0.417 -4.539 4.232 1.00 75.41 C ATOM 848 CG GLN A 59 1.074 -5.715 4.937 1.00 60.04 C ATOM 849 CD GLN A 59 0.406 -6.054 6.254 1.00 14.44 C ATOM 850 OE1 GLN A 59 -0.811 -6.234 6.319 1.00 41.54 O ATOM 851 NE2 GLN A 59 1.199 -6.142 7.315 1.00 21.44 N ATOM 0 H GLN A 59 2.426 -3.168 4.646 1.00 74.24 H new ATOM 0 HA GLN A 59 1.700 -4.779 2.526 1.00 51.44 H new ATOM 0 HB2 GLN A 59 0.218 -3.754 4.961 1.00 75.41 H new ATOM 0 HB3 GLN A 59 -0.547 -4.857 3.835 1.00 75.41 H new ATOM 0 HG2 GLN A 59 1.045 -6.587 4.284 1.00 60.04 H new ATOM 0 HG3 GLN A 59 2.125 -5.486 5.115 1.00 60.04 H new ATOM 0 HE21 GLN A 59 2.202 -5.985 7.216 1.00 21.44 H new ATOM 0 HE22 GLN A 59 0.805 -6.366 8.229 1.00 21.44 H new ATOM 860 N LEU A 60 0.230 -1.858 2.457 1.00 43.43 N ATOM 861 CA LEU A 60 -0.589 -0.968 1.641 1.00 72.20 C ATOM 862 C LEU A 60 0.008 -0.803 0.247 1.00 1.13 C ATOM 863 O LEU A 60 -0.674 -0.996 -0.759 1.00 33.54 O ATOM 864 CB LEU A 60 -0.722 0.398 2.317 1.00 70.24 C ATOM 865 CG LEU A 60 -2.135 0.803 2.739 1.00 44.33 C ATOM 866 CD1 LEU A 60 -2.703 -0.198 3.733 1.00 42.33 C ATOM 867 CD2 LEU A 60 -2.132 2.204 3.332 1.00 13.54 C ATOM 0 H LEU A 60 0.670 -1.408 3.260 1.00 43.43 H new ATOM 0 HA LEU A 60 -1.578 -1.415 1.541 1.00 72.20 H new ATOM 0 HB2 LEU A 60 -0.084 0.408 3.200 1.00 70.24 H new ATOM 0 HB3 LEU A 60 -0.336 1.157 1.637 1.00 70.24 H new ATOM 0 HG LEU A 60 -2.772 0.805 1.854 1.00 44.33 H new ATOM 0 HD11 LEU A 60 -3.709 0.107 4.022 1.00 42.33 H new ATOM 0 HD12 LEU A 60 -2.741 -1.186 3.273 1.00 42.33 H new ATOM 0 HD13 LEU A 60 -2.067 -0.234 4.617 1.00 42.33 H new ATOM 0 HD21 LEU A 60 -3.145 2.476 3.627 1.00 13.54 H new ATOM 0 HD22 LEU A 60 -1.481 2.228 4.206 1.00 13.54 H new ATOM 0 HD23 LEU A 60 -1.768 2.913 2.589 1.00 13.54 H new TER 879 LEU A 60