USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 632 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 Set 1.1: A 17 THR OG1 : rot 150:sc=0.000754 USER MOD Set 1.2: A 66 THR OG1 : rot 173:sc= -0.112 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0775 (180deg=-0.253) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 5 GLN : amide:sc= -0.61 K(o=-0.61,f=-0.0086) USER MOD Single : A 6 THR OG1 : rot -108:sc= 0.056 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -157:sc= -0.0283 (180deg=-0.179) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -110:sc= 1.25 USER MOD Single : A 29 THR OG1 : rot -136:sc= 0.0758 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 1.4 (180deg=1.4) USER MOD Single : A 36 SER OG : rot -169:sc= 1 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 155:sc= -1.87 (180deg=-1.91) USER MOD Single : A 46 CYS SG : rot 58:sc= 0.0404 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0725 K(o=-0.073,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc=-0.00487 X(o=-0.0049,f=-0.16) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0081 USER MOD Single : A 74 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.014) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -42:sc= -0.185! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.379 -0.402 -0.228 1.00 43.21 N ATOM 2 CA MET A 1 3.440 0.116 -1.084 1.00 51.43 C ATOM 3 C MET A 1 2.866 0.678 -2.381 1.00 61.34 C ATOM 4 O MET A 1 3.547 0.718 -3.406 1.00 34.31 O ATOM 5 CB MET A 1 4.456 -0.984 -1.397 1.00 11.14 C ATOM 6 CG MET A 1 5.459 -1.220 -0.279 1.00 42.42 C ATOM 7 SD MET A 1 6.379 -2.757 -0.484 1.00 73.01 S ATOM 8 CE MET A 1 7.853 -2.162 -1.309 1.00 61.31 C ATOM 0 H1 MET A 1 2.797 -0.957 0.546 1.00 43.21 H new ATOM 0 H2 MET A 1 1.835 0.391 0.169 1.00 43.21 H new ATOM 0 H3 MET A 1 1.747 -1.010 -0.787 1.00 43.21 H new ATOM 0 HA MET A 1 3.942 0.922 -0.550 1.00 51.43 H new ATOM 0 HB2 MET A 1 3.923 -1.913 -1.598 1.00 11.14 H new ATOM 0 HB3 MET A 1 4.994 -0.722 -2.308 1.00 11.14 H new ATOM 0 HG2 MET A 1 6.158 -0.385 -0.241 1.00 42.42 H new ATOM 0 HG3 MET A 1 4.934 -1.240 0.676 1.00 42.42 H new ATOM 0 HE1 MET A 1 8.524 -2.999 -1.504 1.00 61.31 H new ATOM 0 HE2 MET A 1 7.577 -1.690 -2.252 1.00 61.31 H new ATOM 0 HE3 MET A 1 8.357 -1.434 -0.673 1.00 61.31 H new ATOM 18 N ALA A 2 1.610 1.110 -2.330 1.00 23.24 N ATOM 19 CA ALA A 2 0.946 1.670 -3.500 1.00 3.10 C ATOM 20 C ALA A 2 0.787 3.181 -3.370 1.00 0.12 C ATOM 21 O ALA A 2 -0.330 3.698 -3.337 1.00 13.02 O ATOM 22 CB ALA A 2 -0.409 1.010 -3.704 1.00 53.11 C ATOM 0 H ALA A 2 1.032 1.083 -1.490 1.00 23.24 H new ATOM 0 HA ALA A 2 1.570 1.470 -4.371 1.00 3.10 H new ATOM 0 HB1 ALA A 2 -0.894 1.438 -4.581 1.00 53.11 H new ATOM 0 HB2 ALA A 2 -0.273 -0.062 -3.851 1.00 53.11 H new ATOM 0 HB3 ALA A 2 -1.032 1.180 -2.826 1.00 53.11 H new ATOM 28 N THR A 3 1.912 3.886 -3.295 1.00 52.05 N ATOM 29 CA THR A 3 1.897 5.338 -3.167 1.00 31.31 C ATOM 30 C THR A 3 1.437 5.999 -4.461 1.00 13.52 C ATOM 31 O THR A 3 1.556 5.422 -5.542 1.00 13.04 O ATOM 32 CB THR A 3 3.288 5.883 -2.791 1.00 73.33 C ATOM 33 OG1 THR A 3 4.308 5.037 -3.334 1.00 41.52 O ATOM 34 CG2 THR A 3 3.445 5.970 -1.281 1.00 31.23 C ATOM 0 H THR A 3 2.845 3.475 -3.321 1.00 52.05 H new ATOM 0 HA THR A 3 1.193 5.578 -2.370 1.00 31.31 H new ATOM 0 HB THR A 3 3.387 6.885 -3.209 1.00 73.33 H new ATOM 0 HG1 THR A 3 5.189 5.391 -3.092 1.00 41.52 H new ATOM 0 HG21 THR A 3 4.435 6.357 -1.040 1.00 31.23 H new ATOM 0 HG22 THR A 3 2.685 6.637 -0.874 1.00 31.23 H new ATOM 0 HG23 THR A 3 3.328 4.978 -0.845 1.00 31.23 H new ATOM 42 N PHE A 4 0.911 7.215 -4.344 1.00 64.41 N ATOM 43 CA PHE A 4 0.433 7.955 -5.505 1.00 51.35 C ATOM 44 C PHE A 4 0.945 9.393 -5.483 1.00 31.44 C ATOM 45 O PHE A 4 0.698 10.135 -4.532 1.00 71.44 O ATOM 46 CB PHE A 4 -1.097 7.947 -5.547 1.00 44.52 C ATOM 47 CG PHE A 4 -1.663 8.446 -6.846 1.00 34.41 C ATOM 48 CD1 PHE A 4 -1.842 9.802 -7.064 1.00 54.00 C ATOM 49 CD2 PHE A 4 -2.018 7.557 -7.848 1.00 43.14 C ATOM 50 CE1 PHE A 4 -2.363 10.264 -8.258 1.00 74.22 C ATOM 51 CE2 PHE A 4 -2.539 8.013 -9.045 1.00 23.04 C ATOM 52 CZ PHE A 4 -2.713 9.368 -9.249 1.00 61.23 C ATOM 0 H PHE A 4 0.806 7.708 -3.457 1.00 64.41 H new ATOM 0 HA PHE A 4 0.817 7.465 -6.400 1.00 51.35 H new ATOM 0 HB2 PHE A 4 -1.452 6.932 -5.371 1.00 44.52 H new ATOM 0 HB3 PHE A 4 -1.478 8.563 -4.733 1.00 44.52 H new ATOM 0 HD1 PHE A 4 -1.571 10.507 -6.292 1.00 54.00 H new ATOM 0 HD2 PHE A 4 -1.886 6.496 -7.692 1.00 43.14 H new ATOM 0 HE1 PHE A 4 -2.496 11.324 -8.416 1.00 74.22 H new ATOM 0 HE2 PHE A 4 -2.810 7.311 -9.819 1.00 23.04 H new ATOM 0 HZ PHE A 4 -3.122 9.726 -10.182 1.00 61.23 H new ATOM 62 N GLN A 5 1.660 9.777 -6.535 1.00 74.43 N ATOM 63 CA GLN A 5 2.208 11.124 -6.636 1.00 14.15 C ATOM 64 C GLN A 5 1.830 11.768 -7.966 1.00 24.32 C ATOM 65 O GLN A 5 1.890 11.128 -9.017 1.00 13.24 O ATOM 66 CB GLN A 5 3.729 11.091 -6.485 1.00 25.01 C ATOM 67 CG GLN A 5 4.401 12.418 -6.798 1.00 51.35 C ATOM 68 CD GLN A 5 5.105 12.413 -8.141 1.00 52.41 C ATOM 69 OE1 GLN A 5 6.208 11.882 -8.275 1.00 54.20 O ATOM 70 NE2 GLN A 5 4.469 13.006 -9.145 1.00 44.51 N ATOM 0 H GLN A 5 1.873 9.174 -7.330 1.00 74.43 H new ATOM 0 HA GLN A 5 1.783 11.723 -5.830 1.00 14.15 H new ATOM 0 HB2 GLN A 5 3.978 10.799 -5.465 1.00 25.01 H new ATOM 0 HB3 GLN A 5 4.135 10.324 -7.144 1.00 25.01 H new ATOM 0 HG2 GLN A 5 3.653 13.211 -6.787 1.00 51.35 H new ATOM 0 HG3 GLN A 5 5.123 12.649 -6.015 1.00 51.35 H new ATOM 0 HE21 GLN A 5 3.556 13.433 -8.989 1.00 44.51 H new ATOM 0 HE22 GLN A 5 4.893 13.034 -10.072 1.00 44.51 H new ATOM 79 N THR A 6 1.441 13.038 -7.914 1.00 24.01 N ATOM 80 CA THR A 6 1.053 13.768 -9.114 1.00 31.10 C ATOM 81 C THR A 6 1.520 15.218 -9.051 1.00 62.53 C ATOM 82 O THR A 6 1.311 15.905 -8.051 1.00 72.53 O ATOM 83 CB THR A 6 -0.474 13.741 -9.318 1.00 64.14 C ATOM 84 OG1 THR A 6 -0.813 14.375 -10.557 1.00 33.52 O ATOM 85 CG2 THR A 6 -1.186 14.443 -8.172 1.00 24.22 C ATOM 0 H THR A 6 1.386 13.582 -7.053 1.00 24.01 H new ATOM 0 HA THR A 6 1.534 13.271 -9.956 1.00 31.10 H new ATOM 0 HB THR A 6 -0.797 12.700 -9.342 1.00 64.14 H new ATOM 0 HG1 THR A 6 -1.238 15.239 -10.377 1.00 33.52 H new ATOM 0 HG21 THR A 6 -2.263 14.411 -8.338 1.00 24.22 H new ATOM 0 HG22 THR A 6 -0.949 13.941 -7.234 1.00 24.22 H new ATOM 0 HG23 THR A 6 -0.858 15.481 -8.121 1.00 24.22 H new ATOM 93 N ASP A 7 2.153 15.677 -10.125 1.00 22.00 N ATOM 94 CA ASP A 7 2.649 17.047 -10.193 1.00 31.25 C ATOM 95 C ASP A 7 1.731 17.915 -11.047 1.00 43.34 C ATOM 96 O ASP A 7 2.193 18.786 -11.784 1.00 4.11 O ATOM 97 CB ASP A 7 4.069 17.071 -10.760 1.00 71.45 C ATOM 98 CG ASP A 7 4.102 16.786 -12.249 1.00 72.31 C ATOM 99 OD1 ASP A 7 3.972 15.604 -12.630 1.00 35.45 O ATOM 100 OD2 ASP A 7 4.259 17.745 -13.034 1.00 32.32 O ATOM 0 H ASP A 7 2.335 15.121 -10.960 1.00 22.00 H new ATOM 0 HA ASP A 7 2.664 17.452 -9.181 1.00 31.25 H new ATOM 0 HB2 ASP A 7 4.517 18.046 -10.570 1.00 71.45 H new ATOM 0 HB3 ASP A 7 4.678 16.333 -10.238 1.00 71.45 H new ATOM 105 N ALA A 8 0.429 17.671 -10.945 1.00 30.24 N ATOM 106 CA ALA A 8 -0.553 18.431 -11.707 1.00 74.14 C ATOM 107 C ALA A 8 -1.958 18.225 -11.151 1.00 55.45 C ATOM 108 O ALA A 8 -2.199 17.303 -10.373 1.00 34.05 O ATOM 109 CB ALA A 8 -0.502 18.036 -13.176 1.00 2.11 C ATOM 0 H ALA A 8 0.030 16.952 -10.341 1.00 30.24 H new ATOM 0 HA ALA A 8 -0.306 19.489 -11.617 1.00 74.14 H new ATOM 0 HB1 ALA A 8 -1.241 18.612 -13.733 1.00 2.11 H new ATOM 0 HB2 ALA A 8 0.492 18.240 -13.573 1.00 2.11 H new ATOM 0 HB3 ALA A 8 -0.721 16.973 -13.275 1.00 2.11 H new ATOM 115 N ASP A 9 -2.882 19.091 -11.556 1.00 21.51 N ATOM 116 CA ASP A 9 -4.264 19.004 -11.098 1.00 62.52 C ATOM 117 C ASP A 9 -4.827 17.605 -11.333 1.00 0.30 C ATOM 118 O ASP A 9 -4.363 16.877 -12.210 1.00 63.13 O ATOM 119 CB ASP A 9 -5.128 20.042 -11.816 1.00 25.21 C ATOM 120 CG ASP A 9 -4.459 21.401 -11.888 1.00 33.22 C ATOM 121 OD1 ASP A 9 -3.630 21.702 -11.003 1.00 53.35 O ATOM 122 OD2 ASP A 9 -4.765 22.163 -12.829 1.00 24.52 O ATOM 0 H ASP A 9 -2.699 19.860 -12.200 1.00 21.51 H new ATOM 0 HA ASP A 9 -4.280 19.208 -10.027 1.00 62.52 H new ATOM 0 HB2 ASP A 9 -5.346 19.694 -12.825 1.00 25.21 H new ATOM 0 HB3 ASP A 9 -6.083 20.137 -11.298 1.00 25.21 H new ATOM 127 N PHE A 10 -5.829 17.236 -10.542 1.00 54.34 N ATOM 128 CA PHE A 10 -6.455 15.924 -10.663 1.00 3.54 C ATOM 129 C PHE A 10 -7.929 15.987 -10.272 1.00 64.33 C ATOM 130 O PHE A 10 -8.364 16.917 -9.592 1.00 41.15 O ATOM 131 CB PHE A 10 -5.725 14.906 -9.784 1.00 35.10 C ATOM 132 CG PHE A 10 -5.750 15.249 -8.322 1.00 35.21 C ATOM 133 CD1 PHE A 10 -6.841 14.912 -7.536 1.00 40.23 C ATOM 134 CD2 PHE A 10 -4.683 15.908 -7.733 1.00 55.21 C ATOM 135 CE1 PHE A 10 -6.867 15.226 -6.190 1.00 71.14 C ATOM 136 CE2 PHE A 10 -4.704 16.224 -6.388 1.00 3.12 C ATOM 137 CZ PHE A 10 -5.797 15.884 -5.616 1.00 33.43 C ATOM 0 H PHE A 10 -6.225 17.827 -9.811 1.00 54.34 H new ATOM 0 HA PHE A 10 -6.387 15.610 -11.705 1.00 3.54 H new ATOM 0 HB2 PHE A 10 -6.177 13.925 -9.926 1.00 35.10 H new ATOM 0 HB3 PHE A 10 -4.689 14.830 -10.114 1.00 35.10 H new ATOM 0 HD1 PHE A 10 -7.681 14.398 -7.980 1.00 40.23 H new ATOM 0 HD2 PHE A 10 -3.826 16.178 -8.332 1.00 55.21 H new ATOM 0 HE1 PHE A 10 -7.723 14.957 -5.588 1.00 71.14 H new ATOM 0 HE2 PHE A 10 -3.865 16.737 -5.941 1.00 3.12 H new ATOM 0 HZ PHE A 10 -5.815 16.132 -4.565 1.00 33.43 H new ATOM 147 N LEU A 11 -8.692 14.991 -10.708 1.00 30.45 N ATOM 148 CA LEU A 11 -10.118 14.931 -10.405 1.00 21.11 C ATOM 149 C LEU A 11 -10.396 13.929 -9.289 1.00 12.22 C ATOM 150 O LEU A 11 -9.789 12.859 -9.235 1.00 31.30 O ATOM 151 CB LEU A 11 -10.910 14.549 -11.657 1.00 45.51 C ATOM 152 CG LEU A 11 -11.041 15.636 -12.725 1.00 12.23 C ATOM 153 CD1 LEU A 11 -11.260 15.014 -14.095 1.00 51.32 C ATOM 154 CD2 LEU A 11 -12.179 16.587 -12.381 1.00 25.23 C ATOM 0 H LEU A 11 -8.348 14.214 -11.272 1.00 30.45 H new ATOM 0 HA LEU A 11 -10.435 15.918 -10.069 1.00 21.11 H new ATOM 0 HB2 LEU A 11 -10.437 13.678 -12.110 1.00 45.51 H new ATOM 0 HB3 LEU A 11 -11.911 14.246 -11.351 1.00 45.51 H new ATOM 0 HG LEU A 11 -10.113 16.206 -12.752 1.00 12.23 H new ATOM 0 HD11 LEU A 11 -11.351 15.802 -14.842 1.00 51.32 H new ATOM 0 HD12 LEU A 11 -10.413 14.374 -14.344 1.00 51.32 H new ATOM 0 HD13 LEU A 11 -12.173 14.419 -14.083 1.00 51.32 H new ATOM 0 HD21 LEU A 11 -12.258 17.354 -13.152 1.00 25.23 H new ATOM 0 HD22 LEU A 11 -13.114 16.030 -12.326 1.00 25.23 H new ATOM 0 HD23 LEU A 11 -11.981 17.059 -11.419 1.00 25.23 H new ATOM 166 N LEU A 12 -11.319 14.282 -8.401 1.00 2.33 N ATOM 167 CA LEU A 12 -11.680 13.413 -7.286 1.00 51.21 C ATOM 168 C LEU A 12 -13.152 13.019 -7.358 1.00 62.30 C ATOM 169 O LEU A 12 -14.017 13.854 -7.622 1.00 31.35 O ATOM 170 CB LEU A 12 -11.392 14.111 -5.956 1.00 22.24 C ATOM 171 CG LEU A 12 -11.281 13.201 -4.731 1.00 44.53 C ATOM 172 CD1 LEU A 12 -9.838 12.774 -4.513 1.00 45.10 C ATOM 173 CD2 LEU A 12 -11.824 13.903 -3.495 1.00 21.11 C ATOM 0 H LEU A 12 -11.831 15.164 -8.431 1.00 2.33 H new ATOM 0 HA LEU A 12 -11.076 12.508 -7.352 1.00 51.21 H new ATOM 0 HB2 LEU A 12 -10.461 14.669 -6.055 1.00 22.24 H new ATOM 0 HB3 LEU A 12 -12.182 14.840 -5.772 1.00 22.24 H new ATOM 0 HG LEU A 12 -11.880 12.308 -4.910 1.00 44.53 H new ATOM 0 HD11 LEU A 12 -9.778 12.127 -3.638 1.00 45.10 H new ATOM 0 HD12 LEU A 12 -9.483 12.232 -5.389 1.00 45.10 H new ATOM 0 HD13 LEU A 12 -9.217 13.656 -4.356 1.00 45.10 H new ATOM 0 HD21 LEU A 12 -11.737 13.241 -2.633 1.00 21.11 H new ATOM 0 HD22 LEU A 12 -11.252 14.813 -3.313 1.00 21.11 H new ATOM 0 HD23 LEU A 12 -12.872 14.158 -3.652 1.00 21.11 H new ATOM 185 N VAL A 13 -13.429 11.741 -7.120 1.00 21.41 N ATOM 186 CA VAL A 13 -14.796 11.235 -7.154 1.00 51.53 C ATOM 187 C VAL A 13 -15.143 10.499 -5.865 1.00 44.21 C ATOM 188 O VAL A 13 -14.451 9.563 -5.467 1.00 44.04 O ATOM 189 CB VAL A 13 -15.014 10.288 -8.349 1.00 34.45 C ATOM 190 CG1 VAL A 13 -16.438 9.752 -8.352 1.00 51.12 C ATOM 191 CG2 VAL A 13 -14.700 10.998 -9.656 1.00 62.14 C ATOM 0 H VAL A 13 -12.724 11.037 -6.901 1.00 21.41 H new ATOM 0 HA VAL A 13 -15.451 12.100 -7.261 1.00 51.53 H new ATOM 0 HB VAL A 13 -14.333 9.443 -8.249 1.00 34.45 H new ATOM 0 HG11 VAL A 13 -16.574 9.085 -9.203 1.00 51.12 H new ATOM 0 HG12 VAL A 13 -16.622 9.204 -7.428 1.00 51.12 H new ATOM 0 HG13 VAL A 13 -17.139 10.583 -8.427 1.00 51.12 H new ATOM 0 HG21 VAL A 13 -14.860 10.314 -10.489 1.00 62.14 H new ATOM 0 HG22 VAL A 13 -15.354 11.863 -9.766 1.00 62.14 H new ATOM 0 HG23 VAL A 13 -13.661 11.327 -9.651 1.00 62.14 H new ATOM 201 N GLY A 14 -16.220 10.929 -5.216 1.00 33.04 N ATOM 202 CA GLY A 14 -16.641 10.299 -3.978 1.00 3.13 C ATOM 203 C GLY A 14 -18.149 10.225 -3.848 1.00 31.00 C ATOM 204 O GLY A 14 -18.826 9.660 -4.708 1.00 1.25 O ATOM 0 H GLY A 14 -16.809 11.702 -5.525 1.00 33.04 H new ATOM 0 HA2 GLY A 14 -16.225 9.293 -3.927 1.00 3.13 H new ATOM 0 HA3 GLY A 14 -16.234 10.856 -3.134 1.00 3.13 H new ATOM 208 N ASP A 15 -18.677 10.795 -2.770 1.00 73.25 N ATOM 209 CA ASP A 15 -20.116 10.791 -2.531 1.00 23.54 C ATOM 210 C ASP A 15 -20.646 12.213 -2.382 1.00 52.15 C ATOM 211 O ASP A 15 -21.694 12.435 -1.775 1.00 41.53 O ATOM 212 CB ASP A 15 -20.443 9.978 -1.277 1.00 22.22 C ATOM 213 CG ASP A 15 -20.603 8.499 -1.571 1.00 15.31 C ATOM 214 OD1 ASP A 15 -19.920 8.000 -2.488 1.00 64.53 O ATOM 215 OD2 ASP A 15 -21.414 7.842 -0.884 1.00 42.02 O ATOM 0 H ASP A 15 -18.131 11.265 -2.048 1.00 73.25 H new ATOM 0 HA ASP A 15 -20.601 10.330 -3.391 1.00 23.54 H new ATOM 0 HB2 ASP A 15 -19.650 10.116 -0.541 1.00 22.22 H new ATOM 0 HB3 ASP A 15 -21.362 10.358 -0.830 1.00 22.22 H new ATOM 220 N ASP A 16 -19.916 13.172 -2.940 1.00 3.40 N ATOM 221 CA ASP A 16 -20.312 14.574 -2.870 1.00 74.11 C ATOM 222 C ASP A 16 -20.408 15.040 -1.421 1.00 34.14 C ATOM 223 O ASP A 16 -21.429 15.584 -0.998 1.00 31.12 O ATOM 224 CB ASP A 16 -21.653 14.782 -3.576 1.00 13.43 C ATOM 225 CG ASP A 16 -21.653 14.241 -4.992 1.00 23.34 C ATOM 226 OD1 ASP A 16 -21.533 13.009 -5.155 1.00 35.40 O ATOM 227 OD2 ASP A 16 -21.771 15.049 -5.937 1.00 23.05 O ATOM 0 H ASP A 16 -19.046 13.004 -3.446 1.00 3.40 H new ATOM 0 HA ASP A 16 -19.549 15.168 -3.373 1.00 74.11 H new ATOM 0 HB2 ASP A 16 -22.441 14.293 -3.004 1.00 13.43 H new ATOM 0 HB3 ASP A 16 -21.888 15.846 -3.597 1.00 13.43 H new ATOM 232 N THR A 17 -19.338 14.822 -0.662 1.00 54.11 N ATOM 233 CA THR A 17 -19.303 15.217 0.740 1.00 5.23 C ATOM 234 C THR A 17 -19.089 16.720 0.883 1.00 72.22 C ATOM 235 O THR A 17 -18.307 17.318 0.144 1.00 11.22 O ATOM 236 CB THR A 17 -18.188 14.477 1.504 1.00 11.20 C ATOM 237 OG1 THR A 17 -16.942 14.620 0.813 1.00 74.24 O ATOM 238 CG2 THR A 17 -18.524 13.001 1.655 1.00 1.23 C ATOM 0 H THR A 17 -18.484 14.374 -0.995 1.00 54.11 H new ATOM 0 HA THR A 17 -20.268 14.948 1.168 1.00 5.23 H new ATOM 0 HB THR A 17 -18.104 14.918 2.497 1.00 11.20 H new ATOM 0 HG1 THR A 17 -16.205 14.600 1.459 1.00 74.24 H new ATOM 0 HG21 THR A 17 -17.723 12.499 2.197 1.00 1.23 H new ATOM 0 HG22 THR A 17 -19.458 12.895 2.207 1.00 1.23 H new ATOM 0 HG23 THR A 17 -18.633 12.550 0.669 1.00 1.23 H new ATOM 246 N SER A 18 -19.789 17.324 1.838 1.00 50.34 N ATOM 247 CA SER A 18 -19.678 18.759 2.075 1.00 72.21 C ATOM 248 C SER A 18 -18.297 19.115 2.615 1.00 25.23 C ATOM 249 O SER A 18 -17.887 20.275 2.586 1.00 3.30 O ATOM 250 CB SER A 18 -20.757 19.219 3.057 1.00 2.52 C ATOM 251 OG SER A 18 -21.941 19.596 2.375 1.00 25.22 O ATOM 0 H SER A 18 -20.439 16.843 2.460 1.00 50.34 H new ATOM 0 HA SER A 18 -19.820 19.272 1.124 1.00 72.21 H new ATOM 0 HB2 SER A 18 -20.979 18.416 3.760 1.00 2.52 H new ATOM 0 HB3 SER A 18 -20.386 20.061 3.641 1.00 2.52 H new ATOM 0 HG SER A 18 -22.615 19.884 3.025 1.00 25.22 H new ATOM 257 N ARG A 19 -17.583 18.108 3.108 1.00 34.54 N ATOM 258 CA ARG A 19 -16.248 18.313 3.657 1.00 54.21 C ATOM 259 C ARG A 19 -15.182 18.103 2.586 1.00 52.34 C ATOM 260 O ARG A 19 -13.997 17.970 2.892 1.00 12.04 O ATOM 261 CB ARG A 19 -16.003 17.361 4.829 1.00 12.30 C ATOM 262 CG ARG A 19 -16.521 17.886 6.158 1.00 5.03 C ATOM 263 CD ARG A 19 -16.277 16.891 7.283 1.00 53.44 C ATOM 264 NE ARG A 19 -17.468 16.101 7.581 1.00 34.30 N ATOM 265 CZ ARG A 19 -18.554 16.598 8.164 1.00 64.21 C ATOM 266 NH1 ARG A 19 -18.598 17.877 8.509 1.00 43.34 N ATOM 267 NH2 ARG A 19 -19.598 15.815 8.402 1.00 22.35 N ATOM 0 H ARG A 19 -17.907 17.141 3.138 1.00 34.54 H new ATOM 0 HA ARG A 19 -16.183 19.341 4.014 1.00 54.21 H new ATOM 0 HB2 ARG A 19 -16.480 16.404 4.615 1.00 12.30 H new ATOM 0 HB3 ARG A 19 -14.933 17.172 4.915 1.00 12.30 H new ATOM 0 HG2 ARG A 19 -16.031 18.831 6.393 1.00 5.03 H new ATOM 0 HG3 ARG A 19 -17.588 18.092 6.078 1.00 5.03 H new ATOM 0 HD2 ARG A 19 -15.460 16.225 7.007 1.00 53.44 H new ATOM 0 HD3 ARG A 19 -15.963 17.426 8.179 1.00 53.44 H new ATOM 0 HE ARG A 19 -17.467 15.113 7.328 1.00 34.30 H new ATOM 0 HH11 ARG A 19 -17.797 18.482 8.327 1.00 43.34 H new ATOM 0 HH12 ARG A 19 -19.433 18.256 8.956 1.00 43.34 H new ATOM 0 HH21 ARG A 19 -19.568 14.830 8.138 1.00 22.35 H new ATOM 0 HH22 ARG A 19 -20.431 16.198 8.850 1.00 22.35 H new ATOM 281 N TYR A 20 -15.611 18.075 1.329 1.00 75.41 N ATOM 282 CA TYR A 20 -14.695 17.878 0.212 1.00 24.14 C ATOM 283 C TYR A 20 -13.639 18.979 0.174 1.00 21.40 C ATOM 284 O TYR A 20 -12.484 18.733 -0.171 1.00 25.12 O ATOM 285 CB TYR A 20 -15.465 17.849 -1.109 1.00 33.24 C ATOM 286 CG TYR A 20 -15.919 19.214 -1.575 1.00 62.43 C ATOM 287 CD1 TYR A 20 -16.946 19.886 -0.925 1.00 41.31 C ATOM 288 CD2 TYR A 20 -15.319 19.831 -2.666 1.00 71.12 C ATOM 289 CE1 TYR A 20 -17.364 21.133 -1.349 1.00 22.13 C ATOM 290 CE2 TYR A 20 -15.729 21.078 -3.096 1.00 15.21 C ATOM 291 CZ TYR A 20 -16.752 21.725 -2.434 1.00 74.22 C ATOM 292 OH TYR A 20 -17.165 22.967 -2.858 1.00 41.24 O ATOM 0 H TYR A 20 -16.588 18.186 1.058 1.00 75.41 H new ATOM 0 HA TYR A 20 -14.192 16.921 0.352 1.00 24.14 H new ATOM 0 HB2 TYR A 20 -14.834 17.403 -1.878 1.00 33.24 H new ATOM 0 HB3 TYR A 20 -16.336 17.204 -0.998 1.00 33.24 H new ATOM 0 HD1 TYR A 20 -17.426 19.426 -0.074 1.00 41.31 H new ATOM 0 HD2 TYR A 20 -14.518 19.327 -3.187 1.00 71.12 H new ATOM 0 HE1 TYR A 20 -18.166 21.641 -0.834 1.00 22.13 H new ATOM 0 HE2 TYR A 20 -15.252 21.544 -3.945 1.00 15.21 H new ATOM 0 HH TYR A 20 -16.631 23.242 -3.633 1.00 41.24 H new ATOM 302 N GLU A 21 -14.046 20.193 0.532 1.00 62.45 N ATOM 303 CA GLU A 21 -13.135 21.332 0.538 1.00 73.41 C ATOM 304 C GLU A 21 -12.126 21.215 1.677 1.00 52.03 C ATOM 305 O GLU A 21 -10.937 21.475 1.494 1.00 33.24 O ATOM 306 CB GLU A 21 -13.919 22.639 0.669 1.00 75.04 C ATOM 307 CG GLU A 21 -14.791 22.705 1.912 1.00 64.42 C ATOM 308 CD GLU A 21 -15.681 23.932 1.936 1.00 20.22 C ATOM 309 OE1 GLU A 21 -15.166 25.044 1.700 1.00 44.22 O ATOM 310 OE2 GLU A 21 -16.894 23.779 2.192 1.00 60.24 O ATOM 0 H GLU A 21 -14.999 20.413 0.821 1.00 62.45 H new ATOM 0 HA GLU A 21 -12.592 21.336 -0.407 1.00 73.41 H new ATOM 0 HB2 GLU A 21 -13.218 23.473 0.683 1.00 75.04 H new ATOM 0 HB3 GLU A 21 -14.548 22.765 -0.212 1.00 75.04 H new ATOM 0 HG2 GLU A 21 -15.411 21.810 1.964 1.00 64.42 H new ATOM 0 HG3 GLU A 21 -14.155 22.704 2.798 1.00 64.42 H new ATOM 317 N GLU A 22 -12.611 20.823 2.851 1.00 5.20 N ATOM 318 CA GLU A 22 -11.751 20.674 4.020 1.00 71.34 C ATOM 319 C GLU A 22 -10.754 19.536 3.820 1.00 41.14 C ATOM 320 O GLU A 22 -9.567 19.677 4.114 1.00 41.10 O ATOM 321 CB GLU A 22 -12.594 20.414 5.270 1.00 2.01 C ATOM 322 CG GLU A 22 -11.767 20.136 6.514 1.00 20.12 C ATOM 323 CD GLU A 22 -10.785 21.250 6.823 1.00 34.44 C ATOM 324 OE1 GLU A 22 -9.698 21.269 6.209 1.00 72.30 O ATOM 325 OE2 GLU A 22 -11.104 22.101 7.679 1.00 2.21 O ATOM 0 H GLU A 22 -13.593 20.603 3.018 1.00 5.20 H new ATOM 0 HA GLU A 22 -11.195 21.602 4.152 1.00 71.34 H new ATOM 0 HB2 GLU A 22 -13.232 21.278 5.454 1.00 2.01 H new ATOM 0 HB3 GLU A 22 -13.252 19.565 5.084 1.00 2.01 H new ATOM 0 HG2 GLU A 22 -12.433 19.998 7.365 1.00 20.12 H new ATOM 0 HG3 GLU A 22 -11.221 19.202 6.382 1.00 20.12 H new ATOM 332 N VAL A 23 -11.245 18.408 3.317 1.00 33.34 N ATOM 333 CA VAL A 23 -10.399 17.245 3.077 1.00 5.32 C ATOM 334 C VAL A 23 -9.244 17.590 2.143 1.00 71.00 C ATOM 335 O VAL A 23 -8.101 17.203 2.384 1.00 41.50 O ATOM 336 CB VAL A 23 -11.204 16.080 2.472 1.00 24.23 C ATOM 337 CG1 VAL A 23 -10.291 14.903 2.165 1.00 65.22 C ATOM 338 CG2 VAL A 23 -12.326 15.664 3.412 1.00 65.24 C ATOM 0 H VAL A 23 -12.225 18.275 3.068 1.00 33.34 H new ATOM 0 HA VAL A 23 -10.001 16.937 4.044 1.00 5.32 H new ATOM 0 HB VAL A 23 -11.650 16.416 1.536 1.00 24.23 H new ATOM 0 HG11 VAL A 23 -10.877 14.089 1.738 1.00 65.22 H new ATOM 0 HG12 VAL A 23 -9.526 15.212 1.452 1.00 65.22 H new ATOM 0 HG13 VAL A 23 -9.814 14.563 3.084 1.00 65.22 H new ATOM 0 HG21 VAL A 23 -12.885 14.840 2.969 1.00 65.24 H new ATOM 0 HG22 VAL A 23 -11.903 15.345 4.365 1.00 65.24 H new ATOM 0 HG23 VAL A 23 -12.995 16.509 3.577 1.00 65.24 H new ATOM 348 N MET A 24 -9.551 18.320 1.076 1.00 55.01 N ATOM 349 CA MET A 24 -8.538 18.719 0.106 1.00 74.35 C ATOM 350 C MET A 24 -7.648 19.821 0.671 1.00 54.14 C ATOM 351 O MET A 24 -6.443 19.849 0.421 1.00 51.41 O ATOM 352 CB MET A 24 -9.201 19.195 -1.189 1.00 23.03 C ATOM 353 CG MET A 24 -9.405 18.088 -2.210 1.00 31.31 C ATOM 354 SD MET A 24 -7.851 17.456 -2.870 1.00 43.22 S ATOM 355 CE MET A 24 -7.827 15.810 -2.165 1.00 10.12 C ATOM 0 H MET A 24 -10.493 18.647 0.861 1.00 55.01 H new ATOM 0 HA MET A 24 -7.916 17.851 -0.111 1.00 74.35 H new ATOM 0 HB2 MET A 24 -10.167 19.640 -0.951 1.00 23.03 H new ATOM 0 HB3 MET A 24 -8.589 19.980 -1.634 1.00 23.03 H new ATOM 0 HG2 MET A 24 -9.958 17.270 -1.748 1.00 31.31 H new ATOM 0 HG3 MET A 24 -10.017 18.464 -3.030 1.00 31.31 H new ATOM 0 HE1 MET A 24 -6.800 15.447 -2.124 1.00 10.12 H new ATOM 0 HE2 MET A 24 -8.242 15.840 -1.157 1.00 10.12 H new ATOM 0 HE3 MET A 24 -8.424 15.140 -2.784 1.00 10.12 H new ATOM 365 N LYS A 25 -8.250 20.728 1.433 1.00 4.11 N ATOM 366 CA LYS A 25 -7.512 21.833 2.035 1.00 71.42 C ATOM 367 C LYS A 25 -6.359 21.316 2.890 1.00 74.54 C ATOM 368 O LYS A 25 -5.334 21.981 3.036 1.00 3.23 O ATOM 369 CB LYS A 25 -8.447 22.693 2.888 1.00 74.14 C ATOM 370 CG LYS A 25 -8.746 24.053 2.280 1.00 21.41 C ATOM 371 CD LYS A 25 -9.471 23.923 0.951 1.00 20.41 C ATOM 372 CE LYS A 25 -9.376 25.204 0.137 1.00 61.44 C ATOM 373 NZ LYS A 25 -10.160 26.311 0.751 1.00 63.22 N ATOM 0 H LYS A 25 -9.247 20.720 1.648 1.00 4.11 H new ATOM 0 HA LYS A 25 -7.100 22.442 1.231 1.00 71.42 H new ATOM 0 HB2 LYS A 25 -9.384 22.157 3.038 1.00 74.14 H new ATOM 0 HB3 LYS A 25 -8.000 22.835 3.872 1.00 74.14 H new ATOM 0 HG2 LYS A 25 -9.354 24.636 2.972 1.00 21.41 H new ATOM 0 HG3 LYS A 25 -7.815 24.600 2.135 1.00 21.41 H new ATOM 0 HD2 LYS A 25 -9.045 23.097 0.382 1.00 20.41 H new ATOM 0 HD3 LYS A 25 -10.519 23.681 1.129 1.00 20.41 H new ATOM 0 HE2 LYS A 25 -8.331 25.503 0.051 1.00 61.44 H new ATOM 0 HE3 LYS A 25 -9.739 25.019 -0.874 1.00 61.44 H new ATOM 0 HZ1 LYS A 25 -10.070 27.166 0.166 1.00 63.22 H new ATOM 0 HZ2 LYS A 25 -11.161 26.036 0.810 1.00 63.22 H new ATOM 0 HZ3 LYS A 25 -9.798 26.505 1.706 1.00 63.22 H new ATOM 387 N THR A 26 -6.534 20.123 3.451 1.00 5.24 N ATOM 388 CA THR A 26 -5.508 19.517 4.291 1.00 71.21 C ATOM 389 C THR A 26 -4.179 19.419 3.551 1.00 2.12 C ATOM 390 O THR A 26 -3.117 19.348 4.170 1.00 64.55 O ATOM 391 CB THR A 26 -5.926 18.111 4.761 1.00 62.44 C ATOM 392 OG1 THR A 26 -5.860 17.189 3.667 1.00 54.14 O ATOM 393 CG2 THR A 26 -7.335 18.128 5.332 1.00 34.44 C ATOM 0 H THR A 26 -7.376 19.558 3.339 1.00 5.24 H new ATOM 0 HA THR A 26 -5.389 20.163 5.161 1.00 71.21 H new ATOM 0 HB THR A 26 -5.238 17.794 5.545 1.00 62.44 H new ATOM 0 HG1 THR A 26 -6.767 16.927 3.405 1.00 54.14 H new ATOM 0 HG21 THR A 26 -7.608 17.124 5.657 1.00 34.44 H new ATOM 0 HG22 THR A 26 -7.375 18.808 6.183 1.00 34.44 H new ATOM 0 HG23 THR A 26 -8.034 18.464 4.566 1.00 34.44 H new ATOM 401 N PHE A 27 -4.244 19.417 2.224 1.00 54.21 N ATOM 402 CA PHE A 27 -3.045 19.328 1.399 1.00 21.13 C ATOM 403 C PHE A 27 -2.594 20.713 0.943 1.00 33.50 C ATOM 404 O PHE A 27 -3.329 21.420 0.253 1.00 65.11 O ATOM 405 CB PHE A 27 -3.302 18.436 0.183 1.00 42.22 C ATOM 406 CG PHE A 27 -2.756 17.045 0.333 1.00 32.15 C ATOM 407 CD1 PHE A 27 -3.483 16.070 0.997 1.00 22.33 C ATOM 408 CD2 PHE A 27 -1.516 16.713 -0.188 1.00 74.53 C ATOM 409 CE1 PHE A 27 -2.984 14.788 1.137 1.00 1.34 C ATOM 410 CE2 PHE A 27 -1.013 15.433 -0.052 1.00 25.24 C ATOM 411 CZ PHE A 27 -1.747 14.470 0.613 1.00 25.11 C ATOM 0 H PHE A 27 -5.115 19.476 1.696 1.00 54.21 H new ATOM 0 HA PHE A 27 -2.251 18.888 2.002 1.00 21.13 H new ATOM 0 HB2 PHE A 27 -4.376 18.379 0.005 1.00 42.22 H new ATOM 0 HB3 PHE A 27 -2.857 18.899 -0.698 1.00 42.22 H new ATOM 0 HD1 PHE A 27 -4.451 16.314 1.410 1.00 22.33 H new ATOM 0 HD2 PHE A 27 -0.936 17.463 -0.706 1.00 74.53 H new ATOM 0 HE1 PHE A 27 -3.561 14.037 1.655 1.00 1.34 H new ATOM 0 HE2 PHE A 27 -0.046 15.186 -0.465 1.00 25.24 H new ATOM 0 HZ PHE A 27 -1.354 13.470 0.723 1.00 25.11 H new ATOM 421 N ASP A 28 -1.383 21.092 1.334 1.00 0.42 N ATOM 422 CA ASP A 28 -0.833 22.392 0.966 1.00 71.13 C ATOM 423 C ASP A 28 -0.639 22.491 -0.544 1.00 45.31 C ATOM 424 O ASP A 28 -0.450 23.581 -1.087 1.00 31.41 O ATOM 425 CB ASP A 28 0.498 22.627 1.681 1.00 44.35 C ATOM 426 CG ASP A 28 0.463 22.186 3.131 1.00 51.44 C ATOM 427 OD1 ASP A 28 0.048 22.995 3.986 1.00 14.33 O ATOM 428 OD2 ASP A 28 0.851 21.033 3.410 1.00 62.50 O ATOM 0 H ASP A 28 -0.763 20.518 1.906 1.00 0.42 H new ATOM 0 HA ASP A 28 -1.542 23.160 1.274 1.00 71.13 H new ATOM 0 HB2 ASP A 28 1.288 22.087 1.159 1.00 44.35 H new ATOM 0 HB3 ASP A 28 0.751 23.686 1.633 1.00 44.35 H new ATOM 433 N THR A 29 -0.684 21.346 -1.218 1.00 53.34 N ATOM 434 CA THR A 29 -0.511 21.304 -2.665 1.00 30.32 C ATOM 435 C THR A 29 -1.744 21.842 -3.382 1.00 65.03 C ATOM 436 O THR A 29 -1.654 22.336 -4.506 1.00 44.42 O ATOM 437 CB THR A 29 -0.231 19.871 -3.155 1.00 24.40 C ATOM 438 OG1 THR A 29 0.606 19.186 -2.216 1.00 1.44 O ATOM 439 CG2 THR A 29 0.440 19.887 -4.521 1.00 14.25 C ATOM 0 H THR A 29 -0.839 20.436 -0.785 1.00 53.34 H new ATOM 0 HA THR A 29 0.346 21.935 -2.900 1.00 30.32 H new ATOM 0 HB THR A 29 -1.184 19.348 -3.241 1.00 24.40 H new ATOM 0 HG1 THR A 29 1.299 18.689 -2.698 1.00 1.44 H new ATOM 0 HG21 THR A 29 0.628 18.864 -4.846 1.00 14.25 H new ATOM 0 HG22 THR A 29 -0.212 20.383 -5.241 1.00 14.25 H new ATOM 0 HG23 THR A 29 1.385 20.426 -4.456 1.00 14.25 H new ATOM 447 N VAL A 30 -2.895 21.744 -2.726 1.00 31.43 N ATOM 448 CA VAL A 30 -4.146 22.223 -3.301 1.00 34.43 C ATOM 449 C VAL A 30 -4.174 23.746 -3.366 1.00 21.55 C ATOM 450 O VAL A 30 -3.688 24.423 -2.461 1.00 11.51 O ATOM 451 CB VAL A 30 -5.361 21.732 -2.490 1.00 3.31 C ATOM 452 CG1 VAL A 30 -5.516 22.547 -1.215 1.00 51.41 C ATOM 453 CG2 VAL A 30 -6.625 21.799 -3.333 1.00 34.35 C ATOM 0 H VAL A 30 -2.987 21.337 -1.795 1.00 31.43 H new ATOM 0 HA VAL A 30 -4.205 21.818 -4.311 1.00 34.43 H new ATOM 0 HB VAL A 30 -5.194 20.692 -2.209 1.00 3.31 H new ATOM 0 HG11 VAL A 30 -6.379 22.186 -0.655 1.00 51.41 H new ATOM 0 HG12 VAL A 30 -4.619 22.443 -0.605 1.00 51.41 H new ATOM 0 HG13 VAL A 30 -5.662 23.597 -1.470 1.00 51.41 H new ATOM 0 HG21 VAL A 30 -7.473 21.449 -2.745 1.00 34.35 H new ATOM 0 HG22 VAL A 30 -6.800 22.829 -3.645 1.00 34.35 H new ATOM 0 HG23 VAL A 30 -6.509 21.168 -4.214 1.00 34.35 H new ATOM 463 N GLU A 31 -4.746 24.276 -4.442 1.00 10.43 N ATOM 464 CA GLU A 31 -4.836 25.720 -4.624 1.00 54.32 C ATOM 465 C GLU A 31 -6.292 26.164 -4.741 1.00 22.10 C ATOM 466 O GLU A 31 -6.679 27.204 -4.210 1.00 11.22 O ATOM 467 CB GLU A 31 -4.060 26.149 -5.871 1.00 24.30 C ATOM 468 CG GLU A 31 -3.783 27.641 -5.933 1.00 11.42 C ATOM 469 CD GLU A 31 -2.842 28.014 -7.062 1.00 11.21 C ATOM 470 OE1 GLU A 31 -2.984 27.447 -8.165 1.00 55.23 O ATOM 471 OE2 GLU A 31 -1.963 28.874 -6.842 1.00 32.24 O ATOM 0 H GLU A 31 -5.153 23.728 -5.200 1.00 10.43 H new ATOM 0 HA GLU A 31 -4.397 26.198 -3.749 1.00 54.32 H new ATOM 0 HB2 GLU A 31 -3.113 25.611 -5.902 1.00 24.30 H new ATOM 0 HB3 GLU A 31 -4.622 25.855 -6.757 1.00 24.30 H new ATOM 0 HG2 GLU A 31 -4.724 28.176 -6.058 1.00 11.42 H new ATOM 0 HG3 GLU A 31 -3.354 27.967 -4.985 1.00 11.42 H new ATOM 478 N ALA A 32 -7.093 25.367 -5.441 1.00 2.03 N ATOM 479 CA ALA A 32 -8.505 25.676 -5.626 1.00 71.25 C ATOM 480 C ALA A 32 -9.280 24.447 -6.090 1.00 24.43 C ATOM 481 O ALA A 32 -8.718 23.545 -6.712 1.00 73.13 O ATOM 482 CB ALA A 32 -8.670 26.813 -6.624 1.00 60.31 C ATOM 0 H ALA A 32 -6.788 24.503 -5.889 1.00 2.03 H new ATOM 0 HA ALA A 32 -8.912 25.989 -4.664 1.00 71.25 H new ATOM 0 HB1 ALA A 32 -9.730 27.033 -6.753 1.00 60.31 H new ATOM 0 HB2 ALA A 32 -8.157 27.700 -6.253 1.00 60.31 H new ATOM 0 HB3 ALA A 32 -8.241 26.521 -7.583 1.00 60.31 H new ATOM 488 N VAL A 33 -10.572 24.416 -5.781 1.00 52.23 N ATOM 489 CA VAL A 33 -11.424 23.297 -6.166 1.00 50.45 C ATOM 490 C VAL A 33 -12.598 23.768 -7.018 1.00 64.13 C ATOM 491 O VAL A 33 -13.092 24.883 -6.850 1.00 35.51 O ATOM 492 CB VAL A 33 -11.966 22.553 -4.931 1.00 50.55 C ATOM 493 CG1 VAL A 33 -12.689 21.282 -5.349 1.00 13.04 C ATOM 494 CG2 VAL A 33 -10.837 22.241 -3.961 1.00 34.34 C ATOM 0 H VAL A 33 -11.052 25.153 -5.265 1.00 52.23 H new ATOM 0 HA VAL A 33 -10.806 22.615 -6.749 1.00 50.45 H new ATOM 0 HB VAL A 33 -12.682 23.199 -4.423 1.00 50.55 H new ATOM 0 HG11 VAL A 33 -13.065 20.769 -4.464 1.00 13.04 H new ATOM 0 HG12 VAL A 33 -13.523 21.536 -6.003 1.00 13.04 H new ATOM 0 HG13 VAL A 33 -11.998 20.628 -5.880 1.00 13.04 H new ATOM 0 HG21 VAL A 33 -11.237 21.715 -3.094 1.00 34.34 H new ATOM 0 HG22 VAL A 33 -10.095 21.614 -4.455 1.00 34.34 H new ATOM 0 HG23 VAL A 33 -10.368 23.170 -3.637 1.00 34.34 H new ATOM 504 N ARG A 34 -13.039 22.911 -7.933 1.00 64.22 N ATOM 505 CA ARG A 34 -14.154 23.239 -8.813 1.00 12.04 C ATOM 506 C ARG A 34 -15.016 22.008 -9.081 1.00 5.34 C ATOM 507 O ARG A 34 -14.500 20.922 -9.344 1.00 72.41 O ATOM 508 CB ARG A 34 -13.638 23.811 -10.134 1.00 54.32 C ATOM 509 CG ARG A 34 -13.604 25.330 -10.168 1.00 55.42 C ATOM 510 CD ARG A 34 -15.007 25.919 -10.183 1.00 23.30 C ATOM 511 NE ARG A 34 -15.635 25.802 -11.496 1.00 52.41 N ATOM 512 CZ ARG A 34 -15.251 26.501 -12.559 1.00 34.30 C ATOM 513 NH1 ARG A 34 -14.246 27.360 -12.464 1.00 55.30 N ATOM 514 NH2 ARG A 34 -15.873 26.339 -13.720 1.00 50.31 N ATOM 0 H ARG A 34 -12.641 21.984 -8.084 1.00 64.22 H new ATOM 0 HA ARG A 34 -14.768 23.990 -8.315 1.00 12.04 H new ATOM 0 HB2 ARG A 34 -12.634 23.429 -10.318 1.00 54.32 H new ATOM 0 HB3 ARG A 34 -14.269 23.452 -10.947 1.00 54.32 H new ATOM 0 HG2 ARG A 34 -13.061 25.702 -9.299 1.00 55.42 H new ATOM 0 HG3 ARG A 34 -13.059 25.663 -11.051 1.00 55.42 H new ATOM 0 HD2 ARG A 34 -15.622 25.410 -9.440 1.00 23.30 H new ATOM 0 HD3 ARG A 34 -14.962 26.969 -9.895 1.00 23.30 H new ATOM 0 HE ARG A 34 -16.411 25.148 -11.603 1.00 52.41 H new ATOM 0 HH11 ARG A 34 -13.765 27.486 -11.573 1.00 55.30 H new ATOM 0 HH12 ARG A 34 -13.953 27.895 -13.282 1.00 55.30 H new ATOM 0 HH21 ARG A 34 -16.646 25.678 -13.797 1.00 50.31 H new ATOM 0 HH22 ARG A 34 -15.578 26.876 -14.536 1.00 50.31 H new ATOM 528 N LYS A 35 -16.330 22.186 -9.011 1.00 14.20 N ATOM 529 CA LYS A 35 -17.265 21.092 -9.246 1.00 64.24 C ATOM 530 C LYS A 35 -17.387 20.792 -10.737 1.00 53.31 C ATOM 531 O LYS A 35 -17.069 21.634 -11.577 1.00 64.21 O ATOM 532 CB LYS A 35 -18.640 21.435 -8.670 1.00 21.15 C ATOM 533 CG LYS A 35 -19.355 22.544 -9.421 1.00 75.13 C ATOM 534 CD LYS A 35 -20.333 21.985 -10.442 1.00 1.23 C ATOM 535 CE LYS A 35 -21.519 21.313 -9.767 1.00 53.34 C ATOM 536 NZ LYS A 35 -22.017 20.150 -10.552 1.00 33.30 N ATOM 0 H LYS A 35 -16.773 23.079 -8.793 1.00 14.20 H new ATOM 0 HA LYS A 35 -16.880 20.204 -8.744 1.00 64.24 H new ATOM 0 HB2 LYS A 35 -19.263 20.540 -8.681 1.00 21.15 H new ATOM 0 HB3 LYS A 35 -18.524 21.730 -7.627 1.00 21.15 H new ATOM 0 HG2 LYS A 35 -19.889 23.178 -8.713 1.00 75.13 H new ATOM 0 HG3 LYS A 35 -18.622 23.175 -9.925 1.00 75.13 H new ATOM 0 HD2 LYS A 35 -20.687 22.789 -11.086 1.00 1.23 H new ATOM 0 HD3 LYS A 35 -19.822 21.266 -11.082 1.00 1.23 H new ATOM 0 HE2 LYS A 35 -21.229 20.981 -8.770 1.00 53.34 H new ATOM 0 HE3 LYS A 35 -22.324 22.037 -9.641 1.00 53.34 H new ATOM 0 HZ1 LYS A 35 -22.825 19.719 -10.059 1.00 33.30 H new ATOM 0 HZ2 LYS A 35 -22.317 20.470 -11.495 1.00 33.30 H new ATOM 0 HZ3 LYS A 35 -21.257 19.447 -10.651 1.00 33.30 H new ATOM 550 N SER A 36 -17.852 19.589 -11.058 1.00 53.21 N ATOM 551 CA SER A 36 -18.015 19.178 -12.448 1.00 1.33 C ATOM 552 C SER A 36 -19.465 19.335 -12.894 1.00 73.23 C ATOM 553 O SER A 36 -20.359 18.658 -12.386 1.00 14.43 O ATOM 554 CB SER A 36 -17.568 17.726 -12.628 1.00 4.40 C ATOM 555 OG SER A 36 -18.331 17.078 -13.631 1.00 11.44 O ATOM 0 H SER A 36 -18.123 18.882 -10.375 1.00 53.21 H new ATOM 0 HA SER A 36 -17.391 19.822 -13.068 1.00 1.33 H new ATOM 0 HB2 SER A 36 -16.512 17.698 -12.895 1.00 4.40 H new ATOM 0 HB3 SER A 36 -17.672 17.190 -11.684 1.00 4.40 H new ATOM 0 HG SER A 36 -18.150 16.115 -13.608 1.00 11.44 H new ATOM 561 N ASP A 37 -19.690 20.231 -13.848 1.00 53.43 N ATOM 562 CA ASP A 37 -21.031 20.477 -14.366 1.00 14.35 C ATOM 563 C ASP A 37 -21.671 19.182 -14.855 1.00 32.22 C ATOM 564 O ASP A 37 -22.885 18.999 -14.753 1.00 11.12 O ATOM 565 CB ASP A 37 -20.983 21.498 -15.503 1.00 51.34 C ATOM 566 CG ASP A 37 -20.220 22.752 -15.124 1.00 41.11 C ATOM 567 OD1 ASP A 37 -18.987 22.779 -15.321 1.00 42.14 O ATOM 568 OD2 ASP A 37 -20.856 23.707 -14.631 1.00 22.21 O ATOM 0 H ASP A 37 -18.961 20.800 -14.279 1.00 53.43 H new ATOM 0 HA ASP A 37 -21.639 20.877 -13.555 1.00 14.35 H new ATOM 0 HB2 ASP A 37 -20.517 21.043 -16.377 1.00 51.34 H new ATOM 0 HB3 ASP A 37 -22.000 21.767 -15.789 1.00 51.34 H new ATOM 573 N LEU A 38 -20.848 18.286 -15.387 1.00 63.32 N ATOM 574 CA LEU A 38 -21.333 17.007 -15.894 1.00 21.42 C ATOM 575 C LEU A 38 -21.747 16.089 -14.748 1.00 65.41 C ATOM 576 O LEU A 38 -22.860 15.563 -14.732 1.00 25.43 O ATOM 577 CB LEU A 38 -20.254 16.329 -16.741 1.00 55.23 C ATOM 578 CG LEU A 38 -20.152 16.794 -18.194 1.00 53.04 C ATOM 579 CD1 LEU A 38 -21.450 16.515 -18.936 1.00 52.35 C ATOM 580 CD2 LEU A 38 -19.807 18.275 -18.258 1.00 30.33 C ATOM 0 H LEU A 38 -19.841 18.421 -15.479 1.00 63.32 H new ATOM 0 HA LEU A 38 -22.207 17.199 -16.516 1.00 21.42 H new ATOM 0 HB2 LEU A 38 -19.289 16.489 -16.260 1.00 55.23 H new ATOM 0 HB3 LEU A 38 -20.438 15.255 -16.736 1.00 55.23 H new ATOM 0 HG LEU A 38 -19.352 16.234 -18.679 1.00 53.04 H new ATOM 0 HD11 LEU A 38 -21.359 16.853 -19.968 1.00 52.35 H new ATOM 0 HD12 LEU A 38 -21.655 15.445 -18.921 1.00 52.35 H new ATOM 0 HD13 LEU A 38 -22.268 17.048 -18.451 1.00 52.35 H new ATOM 0 HD21 LEU A 38 -19.739 18.588 -19.300 1.00 30.33 H new ATOM 0 HD22 LEU A 38 -20.584 18.852 -17.756 1.00 30.33 H new ATOM 0 HD23 LEU A 38 -18.851 18.448 -17.764 1.00 30.33 H new ATOM 592 N ASP A 39 -20.844 15.903 -13.791 1.00 34.51 N ATOM 593 CA ASP A 39 -21.116 15.051 -12.639 1.00 35.21 C ATOM 594 C ASP A 39 -20.738 15.756 -11.340 1.00 63.12 C ATOM 595 O ASP A 39 -19.560 16.001 -11.076 1.00 35.11 O ATOM 596 CB ASP A 39 -20.351 13.732 -12.760 1.00 44.51 C ATOM 597 CG ASP A 39 -21.079 12.717 -13.618 1.00 63.33 C ATOM 598 OD1 ASP A 39 -22.176 12.277 -13.215 1.00 5.23 O ATOM 599 OD2 ASP A 39 -20.551 12.361 -14.693 1.00 74.50 O ATOM 0 H ASP A 39 -19.918 16.331 -13.790 1.00 34.51 H new ATOM 0 HA ASP A 39 -22.185 14.840 -12.619 1.00 35.21 H new ATOM 0 HB2 ASP A 39 -19.366 13.924 -13.186 1.00 44.51 H new ATOM 0 HB3 ASP A 39 -20.192 13.315 -11.766 1.00 44.51 H new ATOM 604 N ASP A 40 -21.743 16.080 -10.534 1.00 43.34 N ATOM 605 CA ASP A 40 -21.515 16.758 -9.263 1.00 73.50 C ATOM 606 C ASP A 40 -20.638 15.911 -8.346 1.00 14.04 C ATOM 607 O ASP A 40 -20.020 16.425 -7.413 1.00 54.33 O ATOM 608 CB ASP A 40 -22.848 17.061 -8.577 1.00 51.42 C ATOM 609 CG ASP A 40 -23.899 17.559 -9.550 1.00 14.14 C ATOM 610 OD1 ASP A 40 -24.406 16.741 -10.346 1.00 50.11 O ATOM 611 OD2 ASP A 40 -24.216 18.766 -9.514 1.00 12.35 O ATOM 0 H ASP A 40 -22.723 15.884 -10.738 1.00 43.34 H new ATOM 0 HA ASP A 40 -20.998 17.696 -9.466 1.00 73.50 H new ATOM 0 HB2 ASP A 40 -23.212 16.160 -8.083 1.00 51.42 H new ATOM 0 HB3 ASP A 40 -22.692 17.810 -7.800 1.00 51.42 H new ATOM 616 N ARG A 41 -20.590 14.611 -8.616 1.00 32.30 N ATOM 617 CA ARG A 41 -19.791 13.693 -7.814 1.00 30.45 C ATOM 618 C ARG A 41 -18.310 13.815 -8.161 1.00 32.14 C ATOM 619 O ARG A 41 -17.460 13.189 -7.528 1.00 4.13 O ATOM 620 CB ARG A 41 -20.259 12.252 -8.030 1.00 13.41 C ATOM 621 CG ARG A 41 -21.770 12.092 -7.999 1.00 54.14 C ATOM 622 CD ARG A 41 -22.175 10.724 -7.472 1.00 51.33 C ATOM 623 NE ARG A 41 -23.579 10.426 -7.744 1.00 2.42 N ATOM 624 CZ ARG A 41 -24.584 10.897 -7.014 1.00 73.51 C ATOM 625 NH1 ARG A 41 -24.342 11.683 -5.974 1.00 73.23 N ATOM 626 NH2 ARG A 41 -25.835 10.581 -7.324 1.00 72.33 N ATOM 0 H ARG A 41 -21.095 14.170 -9.384 1.00 32.30 H new ATOM 0 HA ARG A 41 -19.924 13.958 -6.765 1.00 30.45 H new ATOM 0 HB2 ARG A 41 -19.884 11.897 -8.990 1.00 13.41 H new ATOM 0 HB3 ARG A 41 -19.819 11.617 -7.261 1.00 13.41 H new ATOM 0 HG2 ARG A 41 -22.206 12.869 -7.371 1.00 54.14 H new ATOM 0 HG3 ARG A 41 -22.172 12.230 -9.003 1.00 54.14 H new ATOM 0 HD2 ARG A 41 -21.547 9.959 -7.929 1.00 51.33 H new ATOM 0 HD3 ARG A 41 -21.997 10.682 -6.397 1.00 51.33 H new ATOM 0 HE ARG A 41 -23.800 9.824 -8.537 1.00 2.42 H new ATOM 0 HH11 ARG A 41 -23.382 11.928 -5.732 1.00 73.23 H new ATOM 0 HH12 ARG A 41 -25.116 12.043 -5.416 1.00 73.23 H new ATOM 0 HH21 ARG A 41 -26.025 9.976 -8.123 1.00 72.33 H new ATOM 0 HH22 ARG A 41 -26.606 10.943 -6.763 1.00 72.33 H new ATOM 640 N VAL A 42 -18.009 14.625 -9.171 1.00 33.13 N ATOM 641 CA VAL A 42 -16.632 14.830 -9.602 1.00 3.00 C ATOM 642 C VAL A 42 -16.169 16.252 -9.306 1.00 52.20 C ATOM 643 O VAL A 42 -16.901 17.215 -9.537 1.00 71.00 O ATOM 644 CB VAL A 42 -16.468 14.551 -11.108 1.00 3.51 C ATOM 645 CG1 VAL A 42 -14.997 14.570 -11.497 1.00 74.34 C ATOM 646 CG2 VAL A 42 -17.109 13.222 -11.476 1.00 41.14 C ATOM 0 H VAL A 42 -18.701 15.150 -9.706 1.00 33.13 H new ATOM 0 HA VAL A 42 -16.017 14.127 -9.041 1.00 3.00 H new ATOM 0 HB VAL A 42 -16.976 15.339 -11.664 1.00 3.51 H new ATOM 0 HG11 VAL A 42 -14.900 14.371 -12.564 1.00 74.34 H new ATOM 0 HG12 VAL A 42 -14.573 15.548 -11.270 1.00 74.34 H new ATOM 0 HG13 VAL A 42 -14.462 13.804 -10.935 1.00 74.34 H new ATOM 0 HG21 VAL A 42 -16.984 13.041 -12.544 1.00 41.14 H new ATOM 0 HG22 VAL A 42 -16.632 12.420 -10.913 1.00 41.14 H new ATOM 0 HG23 VAL A 42 -18.172 13.252 -11.235 1.00 41.14 H new ATOM 656 N TYR A 43 -14.950 16.377 -8.794 1.00 41.21 N ATOM 657 CA TYR A 43 -14.390 17.682 -8.464 1.00 45.33 C ATOM 658 C TYR A 43 -12.941 17.787 -8.932 1.00 53.34 C ATOM 659 O TYR A 43 -12.126 16.904 -8.668 1.00 34.10 O ATOM 660 CB TYR A 43 -14.469 17.929 -6.957 1.00 31.32 C ATOM 661 CG TYR A 43 -15.805 18.471 -6.502 1.00 31.15 C ATOM 662 CD1 TYR A 43 -16.877 17.620 -6.261 1.00 50.31 C ATOM 663 CD2 TYR A 43 -15.995 19.834 -6.311 1.00 11.11 C ATOM 664 CE1 TYR A 43 -18.099 18.112 -5.846 1.00 35.51 C ATOM 665 CE2 TYR A 43 -17.214 20.334 -5.894 1.00 43.13 C ATOM 666 CZ TYR A 43 -18.263 19.469 -5.664 1.00 21.03 C ATOM 667 OH TYR A 43 -19.479 19.962 -5.249 1.00 3.13 O ATOM 0 H TYR A 43 -14.331 15.591 -8.598 1.00 41.21 H new ATOM 0 HA TYR A 43 -14.977 18.441 -8.981 1.00 45.33 H new ATOM 0 HB2 TYR A 43 -14.268 16.995 -6.433 1.00 31.32 H new ATOM 0 HB3 TYR A 43 -13.685 18.630 -6.671 1.00 31.32 H new ATOM 0 HD1 TYR A 43 -16.752 16.556 -6.401 1.00 50.31 H new ATOM 0 HD2 TYR A 43 -15.176 20.514 -6.492 1.00 11.11 H new ATOM 0 HE1 TYR A 43 -18.922 17.437 -5.665 1.00 35.51 H new ATOM 0 HE2 TYR A 43 -17.344 21.396 -5.749 1.00 43.13 H new ATOM 0 HH TYR A 43 -19.426 20.937 -5.168 1.00 3.13 H new ATOM 677 N MET A 44 -12.629 18.875 -9.629 1.00 41.11 N ATOM 678 CA MET A 44 -11.279 19.098 -10.133 1.00 23.10 C ATOM 679 C MET A 44 -10.451 19.901 -9.134 1.00 73.13 C ATOM 680 O MET A 44 -10.788 21.039 -8.807 1.00 34.34 O ATOM 681 CB MET A 44 -11.327 19.828 -11.477 1.00 22.33 C ATOM 682 CG MET A 44 -12.026 21.176 -11.411 1.00 72.35 C ATOM 683 SD MET A 44 -13.235 21.396 -12.731 1.00 60.43 S ATOM 684 CE MET A 44 -14.312 19.995 -12.441 1.00 33.44 C ATOM 0 H MET A 44 -13.292 19.615 -9.857 1.00 41.11 H new ATOM 0 HA MET A 44 -10.805 18.126 -10.272 1.00 23.10 H new ATOM 0 HB2 MET A 44 -10.309 19.973 -11.839 1.00 22.33 H new ATOM 0 HB3 MET A 44 -11.838 19.198 -12.205 1.00 22.33 H new ATOM 0 HG2 MET A 44 -12.524 21.276 -10.447 1.00 72.35 H new ATOM 0 HG3 MET A 44 -11.282 21.970 -11.469 1.00 72.35 H new ATOM 0 HE1 MET A 44 -15.303 20.209 -12.841 1.00 33.44 H new ATOM 0 HE2 MET A 44 -13.904 19.114 -12.936 1.00 33.44 H new ATOM 0 HE3 MET A 44 -14.386 19.808 -11.370 1.00 33.44 H new ATOM 694 N VAL A 45 -9.367 19.301 -8.653 1.00 42.34 N ATOM 695 CA VAL A 45 -8.491 19.961 -7.693 1.00 1.24 C ATOM 696 C VAL A 45 -7.278 20.574 -8.385 1.00 34.44 C ATOM 697 O VAL A 45 -6.418 19.859 -8.901 1.00 35.44 O ATOM 698 CB VAL A 45 -8.008 18.981 -6.607 1.00 71.55 C ATOM 699 CG1 VAL A 45 -7.036 19.668 -5.661 1.00 24.30 C ATOM 700 CG2 VAL A 45 -9.192 18.406 -5.844 1.00 41.11 C ATOM 0 H VAL A 45 -9.075 18.359 -8.913 1.00 42.34 H new ATOM 0 HA VAL A 45 -9.076 20.752 -7.224 1.00 1.24 H new ATOM 0 HB VAL A 45 -7.484 18.158 -7.092 1.00 71.55 H new ATOM 0 HG11 VAL A 45 -6.706 18.960 -4.901 1.00 24.30 H new ATOM 0 HG12 VAL A 45 -6.173 20.026 -6.223 1.00 24.30 H new ATOM 0 HG13 VAL A 45 -7.531 20.512 -5.180 1.00 24.30 H new ATOM 0 HG21 VAL A 45 -8.833 17.716 -5.081 1.00 41.11 H new ATOM 0 HG22 VAL A 45 -9.747 19.215 -5.369 1.00 41.11 H new ATOM 0 HG23 VAL A 45 -9.846 17.874 -6.535 1.00 41.11 H new ATOM 710 N CYS A 46 -7.216 21.900 -8.391 1.00 43.44 N ATOM 711 CA CYS A 46 -6.108 22.610 -9.021 1.00 3.32 C ATOM 712 C CYS A 46 -4.986 22.865 -8.019 1.00 61.51 C ATOM 713 O CYS A 46 -5.137 23.659 -7.090 1.00 42.11 O ATOM 714 CB CYS A 46 -6.593 23.936 -9.609 1.00 44.02 C ATOM 715 SG CYS A 46 -5.344 24.815 -10.577 1.00 64.10 S ATOM 0 H CYS A 46 -7.919 22.506 -7.967 1.00 43.44 H new ATOM 0 HA CYS A 46 -5.719 21.985 -9.825 1.00 3.32 H new ATOM 0 HB2 CYS A 46 -7.460 23.745 -10.242 1.00 44.02 H new ATOM 0 HB3 CYS A 46 -6.928 24.581 -8.796 1.00 44.02 H new ATOM 0 HG CYS A 46 -4.932 24.054 -11.547 1.00 64.10 H new ATOM 721 N LEU A 47 -3.862 22.184 -8.213 1.00 4.02 N ATOM 722 CA LEU A 47 -2.714 22.335 -7.325 1.00 64.54 C ATOM 723 C LEU A 47 -2.034 23.684 -7.538 1.00 32.41 C ATOM 724 O LEU A 47 -2.253 24.348 -8.551 1.00 5.30 O ATOM 725 CB LEU A 47 -1.711 21.203 -7.560 1.00 11.22 C ATOM 726 CG LEU A 47 -2.277 19.784 -7.508 1.00 60.44 C ATOM 727 CD1 LEU A 47 -1.249 18.781 -8.009 1.00 72.14 C ATOM 728 CD2 LEU A 47 -2.718 19.436 -6.094 1.00 54.22 C ATOM 0 H LEU A 47 -3.721 21.522 -8.976 1.00 4.02 H new ATOM 0 HA LEU A 47 -3.072 22.288 -6.297 1.00 64.54 H new ATOM 0 HB2 LEU A 47 -1.247 21.352 -8.535 1.00 11.22 H new ATOM 0 HB3 LEU A 47 -0.920 21.285 -6.815 1.00 11.22 H new ATOM 0 HG LEU A 47 -3.149 19.738 -8.161 1.00 60.44 H new ATOM 0 HD11 LEU A 47 -1.669 17.776 -7.965 1.00 72.14 H new ATOM 0 HD12 LEU A 47 -0.982 19.018 -9.039 1.00 72.14 H new ATOM 0 HD13 LEU A 47 -0.358 18.829 -7.383 1.00 72.14 H new ATOM 0 HD21 LEU A 47 -3.118 18.422 -6.077 1.00 54.22 H new ATOM 0 HD22 LEU A 47 -1.864 19.500 -5.420 1.00 54.22 H new ATOM 0 HD23 LEU A 47 -3.489 20.136 -5.771 1.00 54.22 H new ATOM 740 N LYS A 48 -1.208 24.082 -6.577 1.00 25.30 N ATOM 741 CA LYS A 48 -0.492 25.350 -6.659 1.00 73.40 C ATOM 742 C LYS A 48 0.621 25.280 -7.700 1.00 13.13 C ATOM 743 O LYS A 48 0.827 24.244 -8.331 1.00 45.22 O ATOM 744 CB LYS A 48 0.094 25.718 -5.294 1.00 73.50 C ATOM 745 CG LYS A 48 -0.793 26.645 -4.481 1.00 51.15 C ATOM 746 CD LYS A 48 -0.055 27.211 -3.280 1.00 32.03 C ATOM 747 CE LYS A 48 -0.842 27.005 -1.995 1.00 33.14 C ATOM 748 NZ LYS A 48 -0.647 28.129 -1.038 1.00 5.11 N ATOM 0 H LYS A 48 -1.017 23.545 -5.731 1.00 25.30 H new ATOM 0 HA LYS A 48 -1.201 26.120 -6.962 1.00 73.40 H new ATOM 0 HB2 LYS A 48 0.269 24.805 -4.725 1.00 73.50 H new ATOM 0 HB3 LYS A 48 1.064 26.193 -5.441 1.00 73.50 H new ATOM 0 HG2 LYS A 48 -1.143 27.462 -5.112 1.00 51.15 H new ATOM 0 HG3 LYS A 48 -1.676 26.102 -4.144 1.00 51.15 H new ATOM 0 HD2 LYS A 48 0.920 26.732 -3.192 1.00 32.03 H new ATOM 0 HD3 LYS A 48 0.125 28.275 -3.431 1.00 32.03 H new ATOM 0 HE2 LYS A 48 -1.902 26.908 -2.230 1.00 33.14 H new ATOM 0 HE3 LYS A 48 -0.533 26.071 -1.526 1.00 33.14 H new ATOM 0 HZ1 LYS A 48 -1.200 27.950 -0.175 1.00 5.11 H new ATOM 0 HZ2 LYS A 48 0.361 28.206 -0.793 1.00 5.11 H new ATOM 0 HZ3 LYS A 48 -0.966 29.017 -1.476 1.00 5.11 H new ATOM 762 N GLN A 49 1.334 26.388 -7.871 1.00 44.13 N ATOM 763 CA GLN A 49 2.427 26.451 -8.835 1.00 72.01 C ATOM 764 C GLN A 49 3.760 26.129 -8.168 1.00 61.15 C ATOM 765 O GLN A 49 4.227 26.867 -7.302 1.00 51.43 O ATOM 766 CB GLN A 49 2.487 27.837 -9.480 1.00 30.12 C ATOM 767 CG GLN A 49 1.345 28.109 -10.445 1.00 71.25 C ATOM 768 CD GLN A 49 1.683 29.180 -11.463 1.00 5.41 C ATOM 769 OE1 GLN A 49 2.764 29.770 -11.424 1.00 54.32 O ATOM 770 NE2 GLN A 49 0.760 29.438 -12.381 1.00 53.14 N ATOM 0 H GLN A 49 1.175 27.254 -7.355 1.00 44.13 H new ATOM 0 HA GLN A 49 2.239 25.706 -9.608 1.00 72.01 H new ATOM 0 HB2 GLN A 49 2.477 28.594 -8.696 1.00 30.12 H new ATOM 0 HB3 GLN A 49 3.433 27.941 -10.011 1.00 30.12 H new ATOM 0 HG2 GLN A 49 1.087 27.187 -10.966 1.00 71.25 H new ATOM 0 HG3 GLN A 49 0.463 28.414 -9.882 1.00 71.25 H new ATOM 0 HE21 GLN A 49 -0.122 28.925 -12.376 1.00 53.14 H new ATOM 0 HE22 GLN A 49 0.932 30.149 -13.092 1.00 53.14 H new ATOM 779 N GLY A 50 4.369 25.020 -8.579 1.00 12.15 N ATOM 780 CA GLY A 50 5.643 24.620 -8.010 1.00 35.51 C ATOM 781 C GLY A 50 5.485 23.624 -6.878 1.00 73.42 C ATOM 782 O GLY A 50 6.434 23.355 -6.142 1.00 71.41 O ATOM 0 H GLY A 50 4.003 24.392 -9.295 1.00 12.15 H new ATOM 0 HA2 GLY A 50 6.265 24.182 -8.791 1.00 35.51 H new ATOM 0 HA3 GLY A 50 6.167 25.503 -7.643 1.00 35.51 H new ATOM 786 N SER A 51 4.282 23.076 -6.737 1.00 72.14 N ATOM 787 CA SER A 51 4.001 22.108 -5.683 1.00 42.13 C ATOM 788 C SER A 51 3.728 20.728 -6.272 1.00 73.52 C ATOM 789 O SER A 51 3.515 20.584 -7.477 1.00 24.52 O ATOM 790 CB SER A 51 2.804 22.565 -4.848 1.00 13.01 C ATOM 791 OG SER A 51 3.028 23.850 -4.295 1.00 43.30 O ATOM 0 H SER A 51 3.486 23.286 -7.340 1.00 72.14 H new ATOM 0 HA SER A 51 4.879 22.042 -5.040 1.00 42.13 H new ATOM 0 HB2 SER A 51 1.909 22.584 -5.470 1.00 13.01 H new ATOM 0 HB3 SER A 51 2.620 21.848 -4.048 1.00 13.01 H new ATOM 0 HG SER A 51 2.247 24.120 -3.767 1.00 43.30 H new ATOM 797 N THR A 52 3.734 19.713 -5.413 1.00 64.34 N ATOM 798 CA THR A 52 3.489 18.343 -5.847 1.00 14.14 C ATOM 799 C THR A 52 2.613 17.598 -4.845 1.00 41.33 C ATOM 800 O THR A 52 2.946 17.504 -3.664 1.00 2.12 O ATOM 801 CB THR A 52 4.807 17.568 -6.035 1.00 14.32 C ATOM 802 OG1 THR A 52 5.612 18.207 -7.032 1.00 21.32 O ATOM 803 CG2 THR A 52 4.534 16.128 -6.442 1.00 23.05 C ATOM 0 H THR A 52 3.906 19.814 -4.413 1.00 64.34 H new ATOM 0 HA THR A 52 2.972 18.403 -6.805 1.00 14.14 H new ATOM 0 HB THR A 52 5.341 17.565 -5.085 1.00 14.32 H new ATOM 0 HG1 THR A 52 6.449 17.710 -7.145 1.00 21.32 H new ATOM 0 HG21 THR A 52 5.479 15.600 -6.569 1.00 23.05 H new ATOM 0 HG22 THR A 52 3.945 15.636 -5.668 1.00 23.05 H new ATOM 0 HG23 THR A 52 3.982 16.114 -7.382 1.00 23.05 H new ATOM 811 N PHE A 53 1.492 17.070 -5.325 1.00 21.31 N ATOM 812 CA PHE A 53 0.568 16.333 -4.471 1.00 31.21 C ATOM 813 C PHE A 53 0.994 14.873 -4.340 1.00 41.52 C ATOM 814 O PHE A 53 0.682 14.045 -5.195 1.00 71.33 O ATOM 815 CB PHE A 53 -0.853 16.412 -5.033 1.00 0.52 C ATOM 816 CG PHE A 53 -1.913 16.032 -4.039 1.00 61.10 C ATOM 817 CD1 PHE A 53 -2.005 14.732 -3.567 1.00 45.44 C ATOM 818 CD2 PHE A 53 -2.818 16.974 -3.577 1.00 20.22 C ATOM 819 CE1 PHE A 53 -2.978 14.379 -2.653 1.00 35.15 C ATOM 820 CE2 PHE A 53 -3.794 16.626 -2.662 1.00 3.33 C ATOM 821 CZ PHE A 53 -3.875 15.327 -2.200 1.00 2.01 C ATOM 0 H PHE A 53 1.202 17.139 -6.300 1.00 21.31 H new ATOM 0 HA PHE A 53 0.586 16.789 -3.481 1.00 31.21 H new ATOM 0 HB2 PHE A 53 -1.041 17.427 -5.382 1.00 0.52 H new ATOM 0 HB3 PHE A 53 -0.929 15.757 -5.901 1.00 0.52 H new ATOM 0 HD1 PHE A 53 -1.307 13.986 -3.918 1.00 45.44 H new ATOM 0 HD2 PHE A 53 -2.760 17.991 -3.936 1.00 20.22 H new ATOM 0 HE1 PHE A 53 -3.038 13.363 -2.293 1.00 35.15 H new ATOM 0 HE2 PHE A 53 -4.493 17.370 -2.309 1.00 3.33 H new ATOM 0 HZ PHE A 53 -4.638 15.053 -1.486 1.00 2.01 H new ATOM 831 N VAL A 54 1.710 14.567 -3.263 1.00 64.52 N ATOM 832 CA VAL A 54 2.180 13.208 -3.019 1.00 32.11 C ATOM 833 C VAL A 54 1.377 12.541 -1.908 1.00 20.41 C ATOM 834 O VAL A 54 0.985 13.187 -0.936 1.00 13.52 O ATOM 835 CB VAL A 54 3.673 13.189 -2.641 1.00 13.42 C ATOM 836 CG1 VAL A 54 4.125 11.773 -2.320 1.00 70.01 C ATOM 837 CG2 VAL A 54 4.513 13.786 -3.760 1.00 71.52 C ATOM 0 H VAL A 54 1.977 15.241 -2.546 1.00 64.52 H new ATOM 0 HA VAL A 54 2.042 12.654 -3.947 1.00 32.11 H new ATOM 0 HB VAL A 54 3.812 13.799 -1.749 1.00 13.42 H new ATOM 0 HG11 VAL A 54 5.182 11.780 -2.055 1.00 70.01 H new ATOM 0 HG12 VAL A 54 3.544 11.387 -1.483 1.00 70.01 H new ATOM 0 HG13 VAL A 54 3.973 11.136 -3.192 1.00 70.01 H new ATOM 0 HG21 VAL A 54 5.565 13.765 -3.476 1.00 71.52 H new ATOM 0 HG22 VAL A 54 4.371 13.205 -4.671 1.00 71.52 H new ATOM 0 HG23 VAL A 54 4.205 14.817 -3.936 1.00 71.52 H new ATOM 847 N LEU A 55 1.136 11.243 -2.057 1.00 60.24 N ATOM 848 CA LEU A 55 0.380 10.486 -1.066 1.00 32.22 C ATOM 849 C LEU A 55 1.208 9.329 -0.517 1.00 31.44 C ATOM 850 O LEU A 55 1.387 8.310 -1.183 1.00 22.04 O ATOM 851 CB LEU A 55 -0.916 9.954 -1.681 1.00 21.02 C ATOM 852 CG LEU A 55 -1.945 11.007 -2.093 1.00 42.24 C ATOM 853 CD1 LEU A 55 -1.837 11.304 -3.581 1.00 15.30 C ATOM 854 CD2 LEU A 55 -3.351 10.546 -1.740 1.00 32.01 C ATOM 0 H LEU A 55 1.453 10.693 -2.855 1.00 60.24 H new ATOM 0 HA LEU A 55 0.135 11.157 -0.242 1.00 32.22 H new ATOM 0 HB2 LEU A 55 -0.661 9.361 -2.559 1.00 21.02 H new ATOM 0 HB3 LEU A 55 -1.384 9.278 -0.965 1.00 21.02 H new ATOM 0 HG LEU A 55 -1.737 11.925 -1.544 1.00 42.24 H new ATOM 0 HD11 LEU A 55 -2.577 12.056 -3.857 1.00 15.30 H new ATOM 0 HD12 LEU A 55 -0.838 11.678 -3.806 1.00 15.30 H new ATOM 0 HD13 LEU A 55 -2.018 10.391 -4.148 1.00 15.30 H new ATOM 0 HD21 LEU A 55 -4.070 11.308 -2.041 1.00 32.01 H new ATOM 0 HD22 LEU A 55 -3.570 9.614 -2.262 1.00 32.01 H new ATOM 0 HD23 LEU A 55 -3.422 10.385 -0.664 1.00 32.01 H new ATOM 866 N ASN A 56 1.709 9.493 0.704 1.00 74.24 N ATOM 867 CA ASN A 56 2.516 8.461 1.343 1.00 25.24 C ATOM 868 C ASN A 56 1.706 7.184 1.548 1.00 1.51 C ATOM 869 O ASN A 56 2.264 6.093 1.657 1.00 12.44 O ATOM 870 CB ASN A 56 3.049 8.961 2.688 1.00 40.23 C ATOM 871 CG ASN A 56 4.341 9.742 2.543 1.00 12.52 C ATOM 872 OD1 ASN A 56 5.291 9.281 1.910 1.00 12.25 O ATOM 873 ND2 ASN A 56 4.381 10.932 3.131 1.00 2.43 N ATOM 0 H ASN A 56 1.570 10.330 1.270 1.00 74.24 H new ATOM 0 HA ASN A 56 3.357 8.235 0.687 1.00 25.24 H new ATOM 0 HB2 ASN A 56 2.297 9.592 3.162 1.00 40.23 H new ATOM 0 HB3 ASN A 56 3.214 8.110 3.349 1.00 40.23 H new ATOM 0 HD21 ASN A 56 5.223 11.504 3.068 1.00 2.43 H new ATOM 0 HD22 ASN A 56 3.569 11.274 3.645 1.00 2.43 H new ATOM 880 N GLY A 57 0.385 7.330 1.598 1.00 3.03 N ATOM 881 CA GLY A 57 -0.481 6.181 1.789 1.00 2.30 C ATOM 882 C GLY A 57 -1.316 5.874 0.562 1.00 44.44 C ATOM 883 O GLY A 57 -1.977 4.839 0.495 1.00 11.41 O ATOM 0 H GLY A 57 -0.100 8.223 1.510 1.00 3.03 H new ATOM 0 HA2 GLY A 57 0.125 5.310 2.039 1.00 2.30 H new ATOM 0 HA3 GLY A 57 -1.141 6.364 2.637 1.00 2.30 H new ATOM 887 N GLY A 58 -1.286 6.778 -0.413 1.00 54.14 N ATOM 888 CA GLY A 58 -2.052 6.581 -1.631 1.00 2.25 C ATOM 889 C GLY A 58 -3.504 6.986 -1.474 1.00 32.01 C ATOM 890 O GLY A 58 -3.824 7.886 -0.697 1.00 31.03 O ATOM 0 H GLY A 58 -0.746 7.642 -0.382 1.00 54.14 H new ATOM 0 HA2 GLY A 58 -1.602 7.160 -2.437 1.00 2.25 H new ATOM 0 HA3 GLY A 58 -2.000 5.532 -1.924 1.00 2.25 H new ATOM 894 N ILE A 59 -4.385 6.322 -2.215 1.00 20.25 N ATOM 895 CA ILE A 59 -5.811 6.618 -2.154 1.00 42.33 C ATOM 896 C ILE A 59 -6.451 5.990 -0.921 1.00 53.31 C ATOM 897 O ILE A 59 -7.493 6.446 -0.451 1.00 75.35 O ATOM 898 CB ILE A 59 -6.544 6.116 -3.412 1.00 20.40 C ATOM 899 CG1 ILE A 59 -5.801 6.560 -4.674 1.00 31.23 C ATOM 900 CG2 ILE A 59 -7.978 6.624 -3.428 1.00 43.31 C ATOM 901 CD1 ILE A 59 -5.639 8.060 -4.783 1.00 30.21 C ATOM 0 H ILE A 59 -4.136 5.576 -2.864 1.00 20.25 H new ATOM 0 HA ILE A 59 -5.906 7.702 -2.096 1.00 42.33 H new ATOM 0 HB ILE A 59 -6.566 5.026 -3.391 1.00 20.40 H new ATOM 0 HG12 ILE A 59 -4.816 6.094 -4.689 1.00 31.23 H new ATOM 0 HG13 ILE A 59 -6.339 6.196 -5.550 1.00 31.23 H new ATOM 0 HG21 ILE A 59 -8.483 6.261 -4.323 1.00 43.31 H new ATOM 0 HG22 ILE A 59 -8.502 6.262 -2.544 1.00 43.31 H new ATOM 0 HG23 ILE A 59 -7.978 7.714 -3.429 1.00 43.31 H new ATOM 0 HD11 ILE A 59 -5.104 8.302 -5.701 1.00 30.21 H new ATOM 0 HD12 ILE A 59 -6.621 8.532 -4.800 1.00 30.21 H new ATOM 0 HD13 ILE A 59 -5.075 8.428 -3.926 1.00 30.21 H new ATOM 913 N GLU A 60 -5.819 4.943 -0.401 1.00 0.12 N ATOM 914 CA GLU A 60 -6.327 4.253 0.779 1.00 14.41 C ATOM 915 C GLU A 60 -6.380 5.195 1.979 1.00 24.31 C ATOM 916 O GLU A 60 -7.371 5.235 2.706 1.00 34.42 O ATOM 917 CB GLU A 60 -5.452 3.041 1.105 1.00 13.44 C ATOM 918 CG GLU A 60 -5.125 2.184 -0.105 1.00 64.33 C ATOM 919 CD GLU A 60 -3.669 2.287 -0.517 1.00 3.14 C ATOM 920 OE1 GLU A 60 -2.796 1.881 0.279 1.00 34.11 O ATOM 921 OE2 GLU A 60 -3.402 2.774 -1.635 1.00 52.43 O ATOM 0 H GLU A 60 -4.955 4.554 -0.778 1.00 0.12 H new ATOM 0 HA GLU A 60 -7.339 3.912 0.562 1.00 14.41 H new ATOM 0 HB2 GLU A 60 -4.522 3.386 1.557 1.00 13.44 H new ATOM 0 HB3 GLU A 60 -5.960 2.426 1.849 1.00 13.44 H new ATOM 0 HG2 GLU A 60 -5.363 1.144 0.116 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -5.757 2.485 -0.940 1.00 64.33 H new ATOM 928 N GLU A 61 -5.304 5.950 2.179 1.00 63.41 N ATOM 929 CA GLU A 61 -5.227 6.889 3.291 1.00 4.23 C ATOM 930 C GLU A 61 -6.142 8.088 3.056 1.00 63.53 C ATOM 931 O GLU A 61 -6.698 8.653 3.998 1.00 74.30 O ATOM 932 CB GLU A 61 -3.786 7.365 3.487 1.00 25.22 C ATOM 933 CG GLU A 61 -3.344 8.403 2.470 1.00 43.31 C ATOM 934 CD GLU A 61 -3.610 9.823 2.932 1.00 70.20 C ATOM 935 OE1 GLU A 61 -2.969 10.257 3.912 1.00 45.34 O ATOM 936 OE2 GLU A 61 -4.459 10.499 2.315 1.00 73.21 O ATOM 0 H GLU A 61 -4.475 5.929 1.586 1.00 63.41 H new ATOM 0 HA GLU A 61 -5.558 6.372 4.192 1.00 4.23 H new ATOM 0 HB2 GLU A 61 -3.684 7.783 4.488 1.00 25.22 H new ATOM 0 HB3 GLU A 61 -3.118 6.506 3.431 1.00 25.22 H new ATOM 0 HG2 GLU A 61 -2.279 8.283 2.273 1.00 43.31 H new ATOM 0 HG3 GLU A 61 -3.864 8.228 1.528 1.00 43.31 H new ATOM 943 N LEU A 62 -6.292 8.470 1.793 1.00 41.15 N ATOM 944 CA LEU A 62 -7.139 9.602 1.431 1.00 22.34 C ATOM 945 C LEU A 62 -8.606 9.296 1.715 1.00 11.23 C ATOM 946 O LEU A 62 -9.369 10.178 2.110 1.00 50.25 O ATOM 947 CB LEU A 62 -6.955 9.950 -0.047 1.00 13.23 C ATOM 948 CG LEU A 62 -7.088 11.430 -0.409 1.00 23.21 C ATOM 949 CD1 LEU A 62 -6.034 12.253 0.316 1.00 54.20 C ATOM 950 CD2 LEU A 62 -6.975 11.623 -1.914 1.00 71.42 C ATOM 0 H LEU A 62 -5.838 8.013 1.002 1.00 41.15 H new ATOM 0 HA LEU A 62 -6.841 10.457 2.038 1.00 22.34 H new ATOM 0 HB2 LEU A 62 -5.969 9.607 -0.361 1.00 13.23 H new ATOM 0 HB3 LEU A 62 -7.687 9.388 -0.626 1.00 13.23 H new ATOM 0 HG LEU A 62 -8.072 11.775 -0.091 1.00 23.21 H new ATOM 0 HD11 LEU A 62 -6.144 13.303 0.046 1.00 54.20 H new ATOM 0 HD12 LEU A 62 -6.161 12.139 1.393 1.00 54.20 H new ATOM 0 HD13 LEU A 62 -5.041 11.907 0.029 1.00 54.20 H new ATOM 0 HD21 LEU A 62 -7.072 12.682 -2.153 1.00 71.42 H new ATOM 0 HD22 LEU A 62 -6.005 11.261 -2.255 1.00 71.42 H new ATOM 0 HD23 LEU A 62 -7.767 11.064 -2.413 1.00 71.42 H new ATOM 962 N ARG A 63 -8.993 8.041 1.514 1.00 74.10 N ATOM 963 CA ARG A 63 -10.369 7.619 1.749 1.00 21.32 C ATOM 964 C ARG A 63 -10.733 7.749 3.225 1.00 3.14 C ATOM 965 O ARG A 63 -11.838 8.170 3.569 1.00 73.14 O ATOM 966 CB ARG A 63 -10.567 6.173 1.290 1.00 23.00 C ATOM 967 CG ARG A 63 -10.613 6.015 -0.221 1.00 22.20 C ATOM 968 CD ARG A 63 -10.019 4.686 -0.660 1.00 63.33 C ATOM 969 NE ARG A 63 -10.656 3.554 0.007 1.00 74.22 N ATOM 970 CZ ARG A 63 -10.622 2.311 -0.461 1.00 34.14 C ATOM 971 NH1 ARG A 63 -9.985 2.042 -1.591 1.00 64.44 N ATOM 972 NH2 ARG A 63 -11.227 1.334 0.204 1.00 42.13 N ATOM 0 H ARG A 63 -8.374 7.299 1.189 1.00 74.10 H new ATOM 0 HA ARG A 63 -11.026 8.270 1.172 1.00 21.32 H new ATOM 0 HB2 ARG A 63 -9.757 5.561 1.686 1.00 23.00 H new ATOM 0 HB3 ARG A 63 -11.494 5.789 1.715 1.00 23.00 H new ATOM 0 HG2 ARG A 63 -11.645 6.084 -0.564 1.00 22.20 H new ATOM 0 HG3 ARG A 63 -10.065 6.832 -0.690 1.00 22.20 H new ATOM 0 HD2 ARG A 63 -10.128 4.579 -1.739 1.00 63.33 H new ATOM 0 HD3 ARG A 63 -8.950 4.678 -0.446 1.00 63.33 H new ATOM 0 HE ARG A 63 -11.154 3.727 0.880 1.00 74.22 H new ATOM 0 HH11 ARG A 63 -9.519 2.790 -2.104 1.00 64.44 H new ATOM 0 HH12 ARG A 63 -9.961 1.087 -1.948 1.00 64.44 H new ATOM 0 HH21 ARG A 63 -11.718 1.538 1.074 1.00 42.13 H new ATOM 0 HH22 ARG A 63 -11.201 0.380 -0.156 1.00 42.13 H new ATOM 986 N LEU A 64 -9.796 7.385 4.094 1.00 12.24 N ATOM 987 CA LEU A 64 -10.018 7.461 5.534 1.00 23.13 C ATOM 988 C LEU A 64 -10.196 8.908 5.983 1.00 62.04 C ATOM 989 O LEU A 64 -10.964 9.194 6.902 1.00 2.40 O ATOM 990 CB LEU A 64 -8.847 6.823 6.285 1.00 72.05 C ATOM 991 CG LEU A 64 -8.888 5.301 6.423 1.00 35.22 C ATOM 992 CD1 LEU A 64 -7.569 4.779 6.970 1.00 31.44 C ATOM 993 CD2 LEU A 64 -10.044 4.878 7.318 1.00 30.15 C ATOM 0 H LEU A 64 -8.876 7.035 3.827 1.00 12.24 H new ATOM 0 HA LEU A 64 -10.932 6.914 5.765 1.00 23.13 H new ATOM 0 HB2 LEU A 64 -7.923 7.097 5.776 1.00 72.05 H new ATOM 0 HB3 LEU A 64 -8.802 7.257 7.284 1.00 72.05 H new ATOM 0 HG LEU A 64 -9.043 4.869 5.434 1.00 35.22 H new ATOM 0 HD11 LEU A 64 -7.617 3.694 7.061 1.00 31.44 H new ATOM 0 HD12 LEU A 64 -6.761 5.051 6.291 1.00 31.44 H new ATOM 0 HD13 LEU A 64 -7.382 5.218 7.950 1.00 31.44 H new ATOM 0 HD21 LEU A 64 -10.058 3.792 7.405 1.00 30.15 H new ATOM 0 HD22 LEU A 64 -9.919 5.320 8.307 1.00 30.15 H new ATOM 0 HD23 LEU A 64 -10.984 5.219 6.884 1.00 30.15 H new ATOM 1005 N LEU A 65 -9.483 9.817 5.326 1.00 31.14 N ATOM 1006 CA LEU A 65 -9.564 11.236 5.655 1.00 22.15 C ATOM 1007 C LEU A 65 -11.007 11.727 5.599 1.00 21.33 C ATOM 1008 O LEU A 65 -11.612 12.030 6.628 1.00 32.42 O ATOM 1009 CB LEU A 65 -8.698 12.052 4.695 1.00 44.42 C ATOM 1010 CG LEU A 65 -7.349 12.523 5.242 1.00 73.24 C ATOM 1011 CD1 LEU A 65 -6.440 12.970 4.108 1.00 52.45 C ATOM 1012 CD2 LEU A 65 -7.545 13.648 6.247 1.00 42.42 C ATOM 0 H LEU A 65 -8.843 9.597 4.563 1.00 31.14 H new ATOM 0 HA LEU A 65 -9.194 11.370 6.671 1.00 22.15 H new ATOM 0 HB2 LEU A 65 -8.516 11.453 3.803 1.00 44.42 H new ATOM 0 HB3 LEU A 65 -9.266 12.928 4.381 1.00 44.42 H new ATOM 0 HG LEU A 65 -6.873 11.686 5.753 1.00 73.24 H new ATOM 0 HD11 LEU A 65 -5.485 13.302 4.516 1.00 52.45 H new ATOM 0 HD12 LEU A 65 -6.273 12.137 3.425 1.00 52.45 H new ATOM 0 HD13 LEU A 65 -6.909 13.793 3.568 1.00 52.45 H new ATOM 0 HD21 LEU A 65 -6.575 13.971 6.626 1.00 42.42 H new ATOM 0 HD22 LEU A 65 -8.042 14.487 5.761 1.00 42.42 H new ATOM 0 HD23 LEU A 65 -8.158 13.293 7.075 1.00 42.42 H new ATOM 1024 N THR A 66 -11.555 11.801 4.390 1.00 3.32 N ATOM 1025 CA THR A 66 -12.927 12.254 4.199 1.00 22.04 C ATOM 1026 C THR A 66 -13.921 11.249 4.769 1.00 55.10 C ATOM 1027 O THR A 66 -15.041 11.607 5.133 1.00 60.15 O ATOM 1028 CB THR A 66 -13.241 12.482 2.709 1.00 70.43 C ATOM 1029 OG1 THR A 66 -14.513 13.124 2.569 1.00 50.32 O ATOM 1030 CG2 THR A 66 -13.247 11.163 1.949 1.00 1.44 C ATOM 0 H THR A 66 -11.069 11.553 3.528 1.00 3.32 H new ATOM 0 HA THR A 66 -13.025 13.200 4.731 1.00 22.04 H new ATOM 0 HB THR A 66 -12.464 13.121 2.290 1.00 70.43 H new ATOM 0 HG1 THR A 66 -14.656 13.365 1.630 1.00 50.32 H new ATOM 0 HG21 THR A 66 -13.471 11.349 0.899 1.00 1.44 H new ATOM 0 HG22 THR A 66 -12.268 10.690 2.033 1.00 1.44 H new ATOM 0 HG23 THR A 66 -14.006 10.504 2.370 1.00 1.44 H new ATOM 1038 N GLY A 67 -13.505 9.989 4.845 1.00 60.44 N ATOM 1039 CA GLY A 67 -14.372 8.951 5.372 1.00 50.20 C ATOM 1040 C GLY A 67 -15.203 8.286 4.293 1.00 61.13 C ATOM 1041 O GLY A 67 -16.306 7.807 4.556 1.00 21.40 O ATOM 0 H GLY A 67 -12.583 9.668 4.551 1.00 60.44 H new ATOM 0 HA2 GLY A 67 -13.767 8.198 5.876 1.00 50.20 H new ATOM 0 HA3 GLY A 67 -15.035 9.382 6.123 1.00 50.20 H new ATOM 1045 N ASP A 68 -14.674 8.258 3.074 1.00 30.34 N ATOM 1046 CA ASP A 68 -15.375 7.647 1.951 1.00 64.13 C ATOM 1047 C ASP A 68 -14.428 6.779 1.127 1.00 11.02 C ATOM 1048 O ASP A 68 -13.493 7.282 0.504 1.00 75.35 O ATOM 1049 CB ASP A 68 -15.999 8.725 1.064 1.00 0.52 C ATOM 1050 CG ASP A 68 -17.175 8.205 0.261 1.00 44.45 C ATOM 1051 OD1 ASP A 68 -17.616 7.067 0.524 1.00 45.32 O ATOM 1052 OD2 ASP A 68 -17.653 8.936 -0.632 1.00 52.22 O ATOM 0 H ASP A 68 -13.763 8.651 2.839 1.00 30.34 H new ATOM 0 HA ASP A 68 -16.167 7.013 2.350 1.00 64.13 H new ATOM 0 HB2 ASP A 68 -16.327 9.558 1.686 1.00 0.52 H new ATOM 0 HB3 ASP A 68 -15.242 9.114 0.383 1.00 0.52 H new ATOM 1057 N SER A 69 -14.677 5.473 1.131 1.00 45.21 N ATOM 1058 CA SER A 69 -13.844 4.535 0.388 1.00 24.42 C ATOM 1059 C SER A 69 -13.965 4.772 -1.114 1.00 61.31 C ATOM 1060 O SER A 69 -13.055 4.454 -1.881 1.00 32.41 O ATOM 1061 CB SER A 69 -14.238 3.095 0.722 1.00 35.23 C ATOM 1062 OG SER A 69 -13.973 2.796 2.082 1.00 61.53 O ATOM 0 H SER A 69 -15.448 5.041 1.640 1.00 45.21 H new ATOM 0 HA SER A 69 -12.807 4.698 0.681 1.00 24.42 H new ATOM 0 HB2 SER A 69 -15.298 2.947 0.514 1.00 35.23 H new ATOM 0 HB3 SER A 69 -13.688 2.406 0.081 1.00 35.23 H new ATOM 0 HG SER A 69 -14.235 1.871 2.271 1.00 61.53 H new ATOM 1068 N THR A 70 -15.096 5.333 -1.529 1.00 14.12 N ATOM 1069 CA THR A 70 -15.339 5.612 -2.938 1.00 52.45 C ATOM 1070 C THR A 70 -14.401 6.698 -3.453 1.00 54.33 C ATOM 1071 O THR A 70 -14.229 6.862 -4.662 1.00 1.42 O ATOM 1072 CB THR A 70 -16.796 6.050 -3.182 1.00 2.33 C ATOM 1073 OG1 THR A 70 -17.672 5.354 -2.289 1.00 33.21 O ATOM 1074 CG2 THR A 70 -17.209 5.779 -4.620 1.00 53.44 C ATOM 0 H THR A 70 -15.859 5.603 -0.908 1.00 14.12 H new ATOM 0 HA THR A 70 -15.151 4.685 -3.480 1.00 52.45 H new ATOM 0 HB THR A 70 -16.866 7.122 -2.997 1.00 2.33 H new ATOM 0 HG1 THR A 70 -18.596 5.639 -2.449 1.00 33.21 H new ATOM 0 HG21 THR A 70 -18.241 6.096 -4.768 1.00 53.44 H new ATOM 0 HG22 THR A 70 -16.558 6.334 -5.296 1.00 53.44 H new ATOM 0 HG23 THR A 70 -17.124 4.712 -4.828 1.00 53.44 H new ATOM 1082 N LEU A 71 -13.797 7.438 -2.530 1.00 23.40 N ATOM 1083 CA LEU A 71 -12.874 8.509 -2.891 1.00 34.31 C ATOM 1084 C LEU A 71 -11.756 7.986 -3.786 1.00 62.52 C ATOM 1085 O LEU A 71 -10.953 7.152 -3.369 1.00 22.04 O ATOM 1086 CB LEU A 71 -12.281 9.143 -1.632 1.00 1.21 C ATOM 1087 CG LEU A 71 -11.339 10.327 -1.857 1.00 20.52 C ATOM 1088 CD1 LEU A 71 -11.404 11.291 -0.683 1.00 1.12 C ATOM 1089 CD2 LEU A 71 -9.913 9.840 -2.071 1.00 72.04 C ATOM 0 H LEU A 71 -13.930 7.316 -1.526 1.00 23.40 H new ATOM 0 HA LEU A 71 -13.432 9.265 -3.443 1.00 34.31 H new ATOM 0 HB2 LEU A 71 -13.101 9.473 -0.995 1.00 1.21 H new ATOM 0 HB3 LEU A 71 -11.740 8.373 -1.082 1.00 1.21 H new ATOM 0 HG LEU A 71 -11.660 10.857 -2.754 1.00 20.52 H new ATOM 0 HD11 LEU A 71 -10.727 12.127 -0.861 1.00 1.12 H new ATOM 0 HD12 LEU A 71 -12.422 11.665 -0.575 1.00 1.12 H new ATOM 0 HD13 LEU A 71 -11.109 10.773 0.230 1.00 1.12 H new ATOM 0 HD21 LEU A 71 -9.256 10.695 -2.230 1.00 72.04 H new ATOM 0 HD22 LEU A 71 -9.582 9.286 -1.192 1.00 72.04 H new ATOM 0 HD23 LEU A 71 -9.878 9.189 -2.945 1.00 72.04 H new ATOM 1101 N GLU A 72 -11.709 8.483 -5.018 1.00 73.33 N ATOM 1102 CA GLU A 72 -10.688 8.066 -5.972 1.00 23.45 C ATOM 1103 C GLU A 72 -10.082 9.272 -6.683 1.00 11.33 C ATOM 1104 O GLU A 72 -10.747 10.291 -6.874 1.00 41.02 O ATOM 1105 CB GLU A 72 -11.281 7.099 -6.999 1.00 12.32 C ATOM 1106 CG GLU A 72 -12.071 5.960 -6.377 1.00 71.12 C ATOM 1107 CD GLU A 72 -11.709 4.610 -6.965 1.00 62.11 C ATOM 1108 OE1 GLU A 72 -10.505 4.363 -7.188 1.00 53.01 O ATOM 1109 OE2 GLU A 72 -12.630 3.800 -7.202 1.00 2.20 O ATOM 0 H GLU A 72 -12.366 9.175 -5.379 1.00 73.33 H new ATOM 0 HA GLU A 72 -9.898 7.557 -5.419 1.00 23.45 H new ATOM 0 HB2 GLU A 72 -11.931 7.654 -7.675 1.00 12.32 H new ATOM 0 HB3 GLU A 72 -10.474 6.683 -7.602 1.00 12.32 H new ATOM 0 HG2 GLU A 72 -11.892 5.944 -5.302 1.00 71.12 H new ATOM 0 HG3 GLU A 72 -13.136 6.141 -6.520 1.00 71.12 H new ATOM 1116 N ILE A 73 -8.817 9.150 -7.071 1.00 33.53 N ATOM 1117 CA ILE A 73 -8.122 10.229 -7.761 1.00 12.03 C ATOM 1118 C ILE A 73 -7.852 9.867 -9.217 1.00 71.51 C ATOM 1119 O ILE A 73 -7.378 8.771 -9.516 1.00 21.01 O ATOM 1120 CB ILE A 73 -6.787 10.570 -7.072 1.00 73.22 C ATOM 1121 CG1 ILE A 73 -7.028 10.974 -5.616 1.00 60.32 C ATOM 1122 CG2 ILE A 73 -6.072 11.682 -7.825 1.00 21.32 C ATOM 1123 CD1 ILE A 73 -5.755 11.257 -4.850 1.00 12.44 C ATOM 0 H ILE A 73 -8.253 8.314 -6.919 1.00 33.53 H new ATOM 0 HA ILE A 73 -8.775 11.101 -7.721 1.00 12.03 H new ATOM 0 HB ILE A 73 -6.152 9.684 -7.083 1.00 73.22 H new ATOM 0 HG12 ILE A 73 -7.661 11.861 -5.593 1.00 60.32 H new ATOM 0 HG13 ILE A 73 -7.576 10.178 -5.112 1.00 60.32 H new ATOM 0 HG21 ILE A 73 -5.130 11.912 -7.326 1.00 21.32 H new ATOM 0 HG22 ILE A 73 -5.872 11.359 -8.847 1.00 21.32 H new ATOM 0 HG23 ILE A 73 -6.701 12.572 -7.842 1.00 21.32 H new ATOM 0 HD11 ILE A 73 -6.001 11.537 -3.826 1.00 12.44 H new ATOM 0 HD12 ILE A 73 -5.129 10.364 -4.841 1.00 12.44 H new ATOM 0 HD13 ILE A 73 -5.215 12.074 -5.330 1.00 12.44 H new ATOM 1135 N GLN A 74 -8.156 10.795 -10.118 1.00 61.13 N ATOM 1136 CA GLN A 74 -7.945 10.573 -11.544 1.00 4.11 C ATOM 1137 C GLN A 74 -7.188 11.740 -12.170 1.00 70.12 C ATOM 1138 O GLN A 74 -7.241 12.873 -11.693 1.00 4.44 O ATOM 1139 CB GLN A 74 -9.285 10.378 -12.255 1.00 64.03 C ATOM 1140 CG GLN A 74 -10.241 9.460 -11.511 1.00 2.33 C ATOM 1141 CD GLN A 74 -11.145 8.679 -12.443 1.00 51.15 C ATOM 1142 OE1 GLN A 74 -12.370 8.755 -12.347 1.00 54.41 O ATOM 1143 NE2 GLN A 74 -10.545 7.922 -13.354 1.00 24.40 N ATOM 0 H GLN A 74 -8.549 11.707 -9.886 1.00 61.13 H new ATOM 0 HA GLN A 74 -7.345 9.670 -11.661 1.00 4.11 H new ATOM 0 HB2 GLN A 74 -9.760 11.350 -12.391 1.00 64.03 H new ATOM 0 HB3 GLN A 74 -9.103 9.970 -13.249 1.00 64.03 H new ATOM 0 HG2 GLN A 74 -9.668 8.763 -10.899 1.00 2.33 H new ATOM 0 HG3 GLN A 74 -10.852 10.053 -10.831 1.00 2.33 H new ATOM 0 HE21 GLN A 74 -9.527 7.888 -13.398 1.00 24.40 H new ATOM 0 HE22 GLN A 74 -11.103 7.374 -14.009 1.00 24.40 H new ATOM 1152 N PRO A 75 -6.466 11.458 -13.265 1.00 54.32 N ATOM 1153 CA PRO A 75 -5.685 12.472 -13.981 1.00 32.35 C ATOM 1154 C PRO A 75 -6.570 13.482 -14.704 1.00 24.35 C ATOM 1155 O PRO A 75 -7.283 13.135 -15.644 1.00 62.44 O ATOM 1156 CB PRO A 75 -4.877 11.650 -14.988 1.00 52.44 C ATOM 1157 CG PRO A 75 -5.682 10.415 -15.202 1.00 22.10 C ATOM 1158 CD PRO A 75 -6.358 10.129 -13.890 1.00 10.14 C ATOM 0 HA PRO A 75 -5.071 13.067 -13.305 1.00 32.35 H new ATOM 0 HB2 PRO A 75 -4.734 12.196 -15.921 1.00 52.44 H new ATOM 0 HB3 PRO A 75 -3.885 11.414 -14.602 1.00 52.44 H new ATOM 0 HG2 PRO A 75 -6.415 10.560 -15.995 1.00 22.10 H new ATOM 0 HG3 PRO A 75 -5.047 9.582 -15.503 1.00 22.10 H new ATOM 0 HD2 PRO A 75 -7.337 9.672 -14.034 1.00 10.14 H new ATOM 0 HD3 PRO A 75 -5.773 9.443 -13.277 1.00 10.14 H new ATOM 1166 N MET A 76 -6.518 14.733 -14.258 1.00 25.31 N ATOM 1167 CA MET A 76 -7.313 15.793 -14.865 1.00 14.43 C ATOM 1168 C MET A 76 -6.848 16.075 -16.290 1.00 34.50 C ATOM 1169 O MET A 76 -5.654 16.238 -16.542 1.00 12.00 O ATOM 1170 CB MET A 76 -7.225 17.070 -14.026 1.00 33.21 C ATOM 1171 CG MET A 76 -8.288 18.100 -14.373 1.00 32.42 C ATOM 1172 SD MET A 76 -7.770 19.216 -15.690 1.00 43.22 S ATOM 1173 CE MET A 76 -8.431 20.771 -15.096 1.00 1.11 C ATOM 0 H MET A 76 -5.934 15.037 -13.479 1.00 25.31 H new ATOM 0 HA MET A 76 -8.350 15.459 -14.900 1.00 14.43 H new ATOM 0 HB2 MET A 76 -7.314 16.809 -12.972 1.00 33.21 H new ATOM 0 HB3 MET A 76 -6.240 17.517 -14.161 1.00 33.21 H new ATOM 0 HG2 MET A 76 -9.201 17.587 -14.675 1.00 32.42 H new ATOM 0 HG3 MET A 76 -8.529 18.682 -13.483 1.00 32.42 H new ATOM 0 HE1 MET A 76 -8.191 21.563 -15.806 1.00 1.11 H new ATOM 0 HE2 MET A 76 -9.513 20.691 -14.993 1.00 1.11 H new ATOM 0 HE3 MET A 76 -7.991 21.007 -14.127 1.00 1.11 H new ATOM 1183 N ILE A 77 -7.798 16.129 -17.218 1.00 12.05 N ATOM 1184 CA ILE A 77 -7.485 16.391 -18.617 1.00 4.13 C ATOM 1185 C ILE A 77 -8.148 17.678 -19.097 1.00 25.31 C ATOM 1186 O ILE A 77 -9.365 17.834 -19.003 1.00 50.11 O ATOM 1187 CB ILE A 77 -7.932 15.228 -19.521 1.00 71.24 C ATOM 1188 CG1 ILE A 77 -7.340 13.908 -19.022 1.00 54.11 C ATOM 1189 CG2 ILE A 77 -7.519 15.488 -20.962 1.00 50.32 C ATOM 1190 CD1 ILE A 77 -5.828 13.883 -19.029 1.00 60.24 C ATOM 0 H ILE A 77 -8.791 15.995 -17.026 1.00 12.05 H new ATOM 0 HA ILE A 77 -6.402 16.496 -18.684 1.00 4.13 H new ATOM 0 HB ILE A 77 -9.019 15.155 -19.482 1.00 71.24 H new ATOM 0 HG12 ILE A 77 -7.694 13.721 -18.008 1.00 54.11 H new ATOM 0 HG13 ILE A 77 -7.712 13.094 -19.645 1.00 54.11 H new ATOM 0 HG21 ILE A 77 -7.842 14.657 -21.589 1.00 50.32 H new ATOM 0 HG22 ILE A 77 -7.984 16.409 -21.313 1.00 50.32 H new ATOM 0 HG23 ILE A 77 -6.435 15.584 -21.018 1.00 50.32 H new ATOM 0 HD11 ILE A 77 -5.478 12.918 -18.663 1.00 60.24 H new ATOM 0 HD12 ILE A 77 -5.466 14.039 -20.045 1.00 60.24 H new ATOM 0 HD13 ILE A 77 -5.448 14.675 -18.384 1.00 60.24 H new ATOM 1202 N VAL A 78 -7.338 18.597 -19.613 1.00 71.15 N ATOM 1203 CA VAL A 78 -7.846 19.870 -20.112 1.00 22.42 C ATOM 1204 C VAL A 78 -8.269 19.759 -21.572 1.00 63.53 C ATOM 1205 O VAL A 78 -7.550 19.217 -22.413 1.00 54.41 O ATOM 1206 CB VAL A 78 -6.793 20.985 -19.977 1.00 42.51 C ATOM 1207 CG1 VAL A 78 -7.351 22.310 -20.476 1.00 20.33 C ATOM 1208 CG2 VAL A 78 -6.324 21.104 -18.535 1.00 14.23 C ATOM 0 H VAL A 78 -6.328 18.484 -19.696 1.00 71.15 H new ATOM 0 HA VAL A 78 -8.714 20.125 -19.504 1.00 22.42 H new ATOM 0 HB VAL A 78 -5.933 20.725 -20.594 1.00 42.51 H new ATOM 0 HG11 VAL A 78 -6.593 23.086 -20.373 1.00 20.33 H new ATOM 0 HG12 VAL A 78 -7.632 22.215 -21.525 1.00 20.33 H new ATOM 0 HG13 VAL A 78 -8.228 22.580 -19.888 1.00 20.33 H new ATOM 0 HG21 VAL A 78 -5.580 21.897 -18.459 1.00 14.23 H new ATOM 0 HG22 VAL A 78 -7.174 21.341 -17.894 1.00 14.23 H new ATOM 0 HG23 VAL A 78 -5.882 20.160 -18.217 1.00 14.23 H new ATOM 1218 N PRO A 79 -9.463 20.283 -21.884 1.00 12.31 N ATOM 1219 CA PRO A 79 -10.009 20.257 -23.244 1.00 60.42 C ATOM 1220 C PRO A 79 -9.248 21.177 -24.192 1.00 63.34 C ATOM 1221 O PRO A 79 -9.733 22.247 -24.559 1.00 54.24 O ATOM 1222 CB PRO A 79 -11.446 20.750 -23.059 1.00 72.24 C ATOM 1223 CG PRO A 79 -11.406 21.578 -21.821 1.00 74.45 C ATOM 1224 CD PRO A 79 -10.373 20.944 -20.932 1.00 64.44 C ATOM 0 HA PRO A 79 -9.938 19.266 -23.692 1.00 60.42 H new ATOM 0 HB2 PRO A 79 -11.777 21.336 -23.917 1.00 72.24 H new ATOM 0 HB3 PRO A 79 -12.140 19.916 -22.955 1.00 72.24 H new ATOM 0 HG2 PRO A 79 -11.143 22.611 -22.050 1.00 74.45 H new ATOM 0 HG3 PRO A 79 -12.381 21.598 -21.334 1.00 74.45 H new ATOM 0 HD2 PRO A 79 -9.852 21.687 -20.328 1.00 64.44 H new ATOM 0 HD3 PRO A 79 -10.821 20.229 -20.242 1.00 64.44 H new ATOM 1232 N THR A 80 -8.051 20.753 -24.587 1.00 41.12 N ATOM 1233 CA THR A 80 -7.222 21.539 -25.492 1.00 52.33 C ATOM 1234 C THR A 80 -7.144 22.994 -25.043 1.00 32.22 C ATOM 1235 O THR A 80 -7.887 23.846 -25.530 1.00 53.43 O ATOM 1236 CB THR A 80 -7.761 21.488 -26.935 1.00 25.44 C ATOM 1237 OG1 THR A 80 -7.729 20.141 -27.422 1.00 4.45 O ATOM 1238 CG2 THR A 80 -6.940 22.383 -27.851 1.00 13.33 C ATOM 0 H THR A 80 -7.634 19.869 -24.294 1.00 41.12 H new ATOM 0 HA THR A 80 -6.225 21.100 -25.468 1.00 52.33 H new ATOM 0 HB THR A 80 -8.790 21.848 -26.928 1.00 25.44 H new ATOM 0 HG1 THR A 80 -8.075 20.116 -28.339 1.00 4.45 H new ATOM 0 HG21 THR A 80 -7.339 22.331 -28.864 1.00 13.33 H new ATOM 0 HG22 THR A 80 -6.989 23.412 -27.494 1.00 13.33 H new ATOM 0 HG23 THR A 80 -5.903 22.049 -27.852 1.00 13.33 H new ATOM 1246 N THR A 81 -6.239 23.273 -24.110 1.00 62.50 N ATOM 1247 CA THR A 81 -6.064 24.624 -23.594 1.00 40.43 C ATOM 1248 C THR A 81 -4.712 24.780 -22.907 1.00 52.22 C ATOM 1249 O THR A 81 -4.643 25.093 -21.719 1.00 64.32 O ATOM 1250 CB THR A 81 -7.179 24.994 -22.598 1.00 51.32 C ATOM 1251 OG1 THR A 81 -8.406 24.362 -22.980 1.00 11.25 O ATOM 1252 CG2 THR A 81 -7.376 26.502 -22.541 1.00 64.31 C ATOM 0 H THR A 81 -5.615 22.580 -23.696 1.00 62.50 H new ATOM 0 HA THR A 81 -6.113 25.297 -24.450 1.00 40.43 H new ATOM 0 HB THR A 81 -6.883 24.645 -21.609 1.00 51.32 H new ATOM 0 HG1 THR A 81 -8.517 24.424 -23.952 1.00 11.25 H new ATOM 0 HG21 THR A 81 -8.168 26.739 -21.831 1.00 64.31 H new ATOM 0 HG22 THR A 81 -6.449 26.978 -22.222 1.00 64.31 H new ATOM 0 HG23 THR A 81 -7.652 26.870 -23.529 1.00 64.31 H new ATOM 1260 N GLU A 82 -3.641 24.561 -23.663 1.00 24.22 N ATOM 1261 CA GLU A 82 -2.290 24.677 -23.125 1.00 14.35 C ATOM 1262 C GLU A 82 -2.099 26.018 -22.421 1.00 31.45 C ATOM 1263 O GLU A 82 -1.799 27.027 -23.057 1.00 74.14 O ATOM 1264 CB GLU A 82 -1.257 24.524 -24.242 1.00 62.23 C ATOM 1265 CG GLU A 82 0.129 24.150 -23.743 1.00 12.40 C ATOM 1266 CD GLU A 82 0.332 22.650 -23.655 1.00 5.43 C ATOM 1267 OE1 GLU A 82 -0.638 21.904 -23.898 1.00 73.13 O ATOM 1268 OE2 GLU A 82 1.464 22.223 -23.342 1.00 12.41 O ATOM 0 H GLU A 82 -3.682 24.303 -24.649 1.00 24.22 H new ATOM 0 HA GLU A 82 -2.147 23.879 -22.396 1.00 14.35 H new ATOM 0 HB2 GLU A 82 -1.600 23.761 -24.941 1.00 62.23 H new ATOM 0 HB3 GLU A 82 -1.194 25.460 -24.797 1.00 62.23 H new ATOM 0 HG2 GLU A 82 0.878 24.576 -24.410 1.00 12.40 H new ATOM 0 HG3 GLU A 82 0.289 24.593 -22.760 1.00 12.40 H new TER 1275 GLU A 82