USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=23 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.201 (180deg=-0.195) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 5 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.1) USER MOD Single : A 6 THR OG1 : rot -108:sc= 0.0429 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00119 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 173:sc= 0 (180deg=-0.0542) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0177) USER MOD Single : A 26 THR OG1 : rot -109:sc= 1.22 USER MOD Single : A 29 THR OG1 : rot 120:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 151:sc= -0.122 (180deg=-0.489) USER MOD Single : A 36 SER OG : rot 180:sc= 0.721 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -170:sc= -1.89 (180deg=-2.02) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -0.681 (180deg=-3.29!) USER MOD Single : A 49 GLN : amide:sc=-0.00535 X(o=-0.0053,f=-0.037) 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 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) 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 48:sc= 0.0302 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 1.266 0.572 -2.389 1.00 72.52 C ATOM 4 O MET A 1 1.371 0.119 -3.529 1.00 23.13 O ATOM 5 CB MET A 1 2.548 -1.420 -1.585 1.00 62.42 C ATOM 6 CG MET A 1 1.399 -2.382 -1.843 1.00 41.52 C ATOM 7 SD MET A 1 0.867 -3.244 -0.352 1.00 63.50 S ATOM 8 CE MET A 1 2.122 -4.517 -0.232 1.00 32.13 C ATOM 0 H1 MET A 1 1.837 0.553 0.720 1.00 0.00 H new ATOM 0 H2 MET A 1 0.395 0.425 -0.167 1.00 0.00 H new ATOM 0 H3 MET A 1 1.209 -0.977 0.335 1.00 0.00 H new ATOM 0 HA MET A 1 2.971 0.629 -1.100 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.186 -1.384 -2.468 1.00 62.42 H new ATOM 0 HB3 MET A 1 3.157 -1.805 -0.767 1.00 62.42 H new ATOM 0 HG2 MET A 1 0.556 -1.831 -2.260 1.00 41.52 H new ATOM 0 HG3 MET A 1 1.704 -3.113 -2.592 1.00 41.52 H new ATOM 0 HE1 MET A 1 1.930 -5.136 0.645 1.00 32.13 H new ATOM 0 HE2 MET A 1 2.097 -5.138 -1.127 1.00 32.13 H new ATOM 0 HE3 MET A 1 3.104 -4.053 -0.140 1.00 32.13 H new ATOM 18 N ALA A 2 0.443 1.568 -2.080 1.00 2.41 N ATOM 19 CA ALA A 2 -0.400 2.203 -3.085 1.00 71.03 C ATOM 20 C ALA A 2 -0.175 3.711 -3.118 1.00 70.23 C ATOM 21 O ALA A 2 -1.101 4.483 -3.369 1.00 74.53 O ATOM 22 CB ALA A 2 -1.865 1.892 -2.818 1.00 32.21 C ATOM 0 H ALA A 2 0.342 1.953 -1.141 1.00 2.41 H new ATOM 0 HA ALA A 2 -0.126 1.800 -4.060 1.00 71.03 H new ATOM 0 HB1 ALA A 2 -2.483 2.373 -3.576 1.00 32.21 H new ATOM 0 HB2 ALA A 2 -2.020 0.814 -2.853 1.00 32.21 H new ATOM 0 HB3 ALA A 2 -2.143 2.266 -1.833 1.00 32.21 H new ATOM 28 N THR A 3 1.062 4.126 -2.862 1.00 71.24 N ATOM 29 CA THR A 3 1.408 5.541 -2.861 1.00 2.40 C ATOM 30 C THR A 3 0.953 6.220 -4.148 1.00 10.12 C ATOM 31 O THR A 3 0.837 5.579 -5.192 1.00 74.32 O ATOM 32 CB THR A 3 2.925 5.748 -2.694 1.00 4.52 C ATOM 33 OG1 THR A 3 3.639 4.688 -3.340 1.00 14.13 O ATOM 34 CG2 THR A 3 3.306 5.799 -1.222 1.00 14.23 C ATOM 0 H THR A 3 1.841 3.501 -2.653 1.00 71.24 H new ATOM 0 HA THR A 3 0.891 5.992 -2.014 1.00 2.40 H new ATOM 0 HB THR A 3 3.192 6.699 -3.155 1.00 4.52 H new ATOM 0 HG1 THR A 3 4.603 4.828 -3.230 1.00 14.13 H new ATOM 0 HG21 THR A 3 4.382 5.946 -1.130 1.00 14.23 H new ATOM 0 HG22 THR A 3 2.784 6.625 -0.740 1.00 14.23 H new ATOM 0 HG23 THR A 3 3.025 4.862 -0.741 1.00 14.23 H new ATOM 42 N PHE A 4 0.697 7.522 -4.066 1.00 60.42 N ATOM 43 CA PHE A 4 0.254 8.288 -5.225 1.00 70.33 C ATOM 44 C PHE A 4 0.794 9.714 -5.173 1.00 71.12 C ATOM 45 O PHE A 4 0.500 10.466 -4.245 1.00 34.24 O ATOM 46 CB PHE A 4 -1.274 8.311 -5.294 1.00 14.22 C ATOM 47 CG PHE A 4 -1.808 8.800 -6.610 1.00 20.00 C ATOM 48 CD1 PHE A 4 -1.824 10.153 -6.906 1.00 53.34 C ATOM 49 CD2 PHE A 4 -2.294 7.906 -7.551 1.00 21.05 C ATOM 50 CE1 PHE A 4 -2.314 10.606 -8.117 1.00 13.52 C ATOM 51 CE2 PHE A 4 -2.785 8.353 -8.763 1.00 3.24 C ATOM 52 CZ PHE A 4 -2.796 9.705 -9.046 1.00 11.13 C ATOM 0 H PHE A 4 0.789 8.068 -3.209 1.00 60.42 H new ATOM 0 HA PHE A 4 0.644 7.803 -6.120 1.00 70.33 H new ATOM 0 HB2 PHE A 4 -1.653 7.306 -5.108 1.00 14.22 H new ATOM 0 HB3 PHE A 4 -1.656 8.948 -4.497 1.00 14.22 H new ATOM 0 HD1 PHE A 4 -1.449 10.862 -6.183 1.00 53.34 H new ATOM 0 HD2 PHE A 4 -2.289 6.848 -7.335 1.00 21.05 H new ATOM 0 HE1 PHE A 4 -2.320 11.664 -8.336 1.00 13.52 H new ATOM 0 HE2 PHE A 4 -3.160 7.646 -9.488 1.00 3.24 H new ATOM 0 HZ PHE A 4 -3.181 10.057 -9.992 1.00 11.13 H new ATOM 62 N GLN A 5 1.586 10.077 -6.177 1.00 13.51 N ATOM 63 CA GLN A 5 2.168 11.413 -6.245 1.00 30.40 C ATOM 64 C GLN A 5 1.815 12.094 -7.563 1.00 14.12 C ATOM 65 O GLN A 5 1.777 11.455 -8.615 1.00 22.22 O ATOM 66 CB GLN A 5 3.688 11.338 -6.087 1.00 74.22 C ATOM 67 CG GLN A 5 4.393 12.656 -6.360 1.00 42.41 C ATOM 68 CD GLN A 5 5.008 12.714 -7.745 1.00 31.33 C ATOM 69 OE1 GLN A 5 4.634 13.550 -8.568 1.00 64.52 O ATOM 70 NE2 GLN A 5 5.957 11.823 -8.009 1.00 33.02 N ATOM 0 H GLN A 5 1.839 9.466 -6.953 1.00 13.51 H new ATOM 0 HA GLN A 5 1.753 12.005 -5.429 1.00 30.40 H new ATOM 0 HB2 GLN A 5 3.924 11.012 -5.074 1.00 74.22 H new ATOM 0 HB3 GLN A 5 4.079 10.579 -6.765 1.00 74.22 H new ATOM 0 HG2 GLN A 5 3.681 13.474 -6.248 1.00 42.41 H new ATOM 0 HG3 GLN A 5 5.173 12.808 -5.614 1.00 42.41 H new ATOM 0 HE21 GLN A 5 6.236 11.148 -7.297 1.00 33.02 H new ATOM 0 HE22 GLN A 5 6.407 11.813 -8.924 1.00 33.02 H new ATOM 79 N THR A 6 1.555 13.396 -7.499 1.00 42.41 N ATOM 80 CA THR A 6 1.203 14.165 -8.687 1.00 23.45 C ATOM 81 C THR A 6 1.635 15.620 -8.548 1.00 22.01 C ATOM 82 O THR A 6 1.374 16.260 -7.529 1.00 43.43 O ATOM 83 CB THR A 6 -0.312 14.114 -8.959 1.00 41.45 C ATOM 84 OG1 THR A 6 -0.610 14.783 -10.190 1.00 74.21 O ATOM 85 CG2 THR A 6 -1.088 14.763 -7.823 1.00 72.31 C ATOM 0 H THR A 6 1.581 13.940 -6.637 1.00 42.41 H new ATOM 0 HA THR A 6 1.731 13.712 -9.526 1.00 23.45 H new ATOM 0 HB THR A 6 -0.612 13.068 -9.031 1.00 41.45 H new ATOM 0 HG1 THR A 6 -1.063 15.631 -10.000 1.00 74.21 H new ATOM 0 HG21 THR A 6 -2.156 14.715 -8.038 1.00 72.31 H new ATOM 0 HG22 THR A 6 -0.881 14.235 -6.892 1.00 72.31 H new ATOM 0 HG23 THR A 6 -0.784 15.805 -7.724 1.00 72.31 H new ATOM 93 N ASP A 7 2.296 16.137 -9.578 1.00 30.31 N ATOM 94 CA ASP A 7 2.763 17.518 -9.572 1.00 13.35 C ATOM 95 C ASP A 7 1.854 18.403 -10.419 1.00 73.11 C ATOM 96 O ASP A 7 2.324 19.277 -11.146 1.00 3.42 O ATOM 97 CB ASP A 7 4.199 17.596 -10.091 1.00 3.24 C ATOM 98 CG ASP A 7 4.943 18.804 -9.556 1.00 42.24 C ATOM 99 OD1 ASP A 7 4.294 19.844 -9.318 1.00 55.12 O ATOM 100 OD2 ASP A 7 6.175 18.710 -9.375 1.00 60.45 O ATOM 0 H ASP A 7 2.520 15.620 -10.428 1.00 30.31 H new ATOM 0 HA ASP A 7 2.737 17.880 -8.544 1.00 13.35 H new ATOM 0 HB2 ASP A 7 4.734 16.689 -9.809 1.00 3.24 H new ATOM 0 HB3 ASP A 7 4.187 17.633 -11.180 1.00 3.24 H new ATOM 105 N ALA A 8 0.549 18.168 -10.321 1.00 43.02 N ATOM 106 CA ALA A 8 -0.425 18.944 -11.078 1.00 35.21 C ATOM 107 C ALA A 8 -1.846 18.644 -10.612 1.00 53.22 C ATOM 108 O ALA A 8 -2.080 17.681 -9.882 1.00 73.11 O ATOM 109 CB ALA A 8 -0.285 18.660 -12.566 1.00 41.41 C ATOM 0 H ALA A 8 0.143 17.447 -9.725 1.00 43.02 H new ATOM 0 HA ALA A 8 -0.227 20.001 -10.901 1.00 35.21 H new ATOM 0 HB1 ALA A 8 -1.019 19.246 -13.119 1.00 41.41 H new ATOM 0 HB2 ALA A 8 0.718 18.930 -12.895 1.00 41.41 H new ATOM 0 HB3 ALA A 8 -0.454 17.599 -12.751 1.00 41.41 H new ATOM 115 N ASP A 9 -2.791 19.475 -11.038 1.00 50.24 N ATOM 116 CA ASP A 9 -4.190 19.299 -10.665 1.00 63.31 C ATOM 117 C ASP A 9 -4.658 17.879 -10.969 1.00 54.34 C ATOM 118 O ASP A 9 -4.083 17.192 -11.813 1.00 71.14 O ATOM 119 CB ASP A 9 -5.068 20.309 -11.405 1.00 34.23 C ATOM 120 CG ASP A 9 -4.780 20.347 -12.893 1.00 35.54 C ATOM 121 OD1 ASP A 9 -4.545 19.269 -13.479 1.00 51.23 O ATOM 122 OD2 ASP A 9 -4.791 21.453 -13.471 1.00 13.23 O ATOM 0 H ASP A 9 -2.614 20.277 -11.642 1.00 50.24 H new ATOM 0 HA ASP A 9 -4.279 19.470 -9.592 1.00 63.31 H new ATOM 0 HB2 ASP A 9 -6.117 20.058 -11.247 1.00 34.23 H new ATOM 0 HB3 ASP A 9 -4.911 21.301 -10.982 1.00 34.23 H new ATOM 127 N PHE A 10 -5.706 17.446 -10.276 1.00 23.05 N ATOM 128 CA PHE A 10 -6.251 16.107 -10.470 1.00 3.41 C ATOM 129 C PHE A 10 -7.749 16.084 -10.184 1.00 75.34 C ATOM 130 O PHE A 10 -8.294 17.013 -9.587 1.00 32.11 O ATOM 131 CB PHE A 10 -5.532 15.105 -9.565 1.00 22.31 C ATOM 132 CG PHE A 10 -5.445 15.546 -8.132 1.00 32.53 C ATOM 133 CD1 PHE A 10 -6.486 15.296 -7.252 1.00 54.33 C ATOM 134 CD2 PHE A 10 -4.323 16.210 -7.664 1.00 63.21 C ATOM 135 CE1 PHE A 10 -6.410 15.700 -5.933 1.00 2.24 C ATOM 136 CE2 PHE A 10 -4.240 16.616 -6.346 1.00 33.35 C ATOM 137 CZ PHE A 10 -5.286 16.362 -5.479 1.00 65.21 C ATOM 0 H PHE A 10 -6.195 18.003 -9.575 1.00 23.05 H new ATOM 0 HA PHE A 10 -6.093 15.824 -11.511 1.00 3.41 H new ATOM 0 HB2 PHE A 10 -6.052 14.148 -9.611 1.00 22.31 H new ATOM 0 HB3 PHE A 10 -4.525 14.940 -9.948 1.00 22.31 H new ATOM 0 HD1 PHE A 10 -7.367 14.779 -7.602 1.00 54.33 H new ATOM 0 HD2 PHE A 10 -3.503 16.413 -8.337 1.00 63.21 H new ATOM 0 HE1 PHE A 10 -7.228 15.498 -5.258 1.00 2.24 H new ATOM 0 HE2 PHE A 10 -3.359 17.131 -5.994 1.00 33.35 H new ATOM 0 HZ PHE A 10 -5.225 16.680 -4.449 1.00 65.21 H new ATOM 147 N LEU A 11 -8.411 15.015 -10.616 1.00 42.50 N ATOM 148 CA LEU A 11 -9.847 14.869 -10.408 1.00 53.30 C ATOM 149 C LEU A 11 -10.136 13.904 -9.263 1.00 33.10 C ATOM 150 O LEU A 11 -9.426 12.915 -9.076 1.00 1.20 O ATOM 151 CB LEU A 11 -10.520 14.375 -11.690 1.00 33.55 C ATOM 152 CG LEU A 11 -10.956 15.456 -12.679 1.00 64.44 C ATOM 153 CD1 LEU A 11 -11.454 14.827 -13.971 1.00 70.24 C ATOM 154 CD2 LEU A 11 -12.031 16.340 -12.065 1.00 20.31 C ATOM 0 H LEU A 11 -7.976 14.237 -11.112 1.00 42.50 H new ATOM 0 HA LEU A 11 -10.253 15.846 -10.146 1.00 53.30 H new ATOM 0 HB2 LEU A 11 -9.833 13.700 -12.200 1.00 33.55 H new ATOM 0 HB3 LEU A 11 -11.396 13.789 -11.414 1.00 33.55 H new ATOM 0 HG LEU A 11 -10.092 16.079 -12.911 1.00 64.44 H new ATOM 0 HD11 LEU A 11 -11.760 15.611 -14.663 1.00 70.24 H new ATOM 0 HD12 LEU A 11 -10.655 14.238 -14.421 1.00 70.24 H new ATOM 0 HD13 LEU A 11 -12.305 14.180 -13.756 1.00 70.24 H new ATOM 0 HD21 LEU A 11 -12.329 17.103 -12.784 1.00 20.31 H new ATOM 0 HD22 LEU A 11 -12.896 15.731 -11.803 1.00 20.31 H new ATOM 0 HD23 LEU A 11 -11.639 16.819 -11.168 1.00 20.31 H new ATOM 166 N LEU A 12 -11.184 14.196 -8.500 1.00 72.35 N ATOM 167 CA LEU A 12 -11.569 13.352 -7.374 1.00 55.23 C ATOM 168 C LEU A 12 -13.016 12.887 -7.512 1.00 3.21 C ATOM 169 O LEU A 12 -13.896 13.664 -7.883 1.00 61.31 O ATOM 170 CB LEU A 12 -11.389 14.111 -6.058 1.00 63.33 C ATOM 171 CG LEU A 12 -11.353 13.256 -4.791 1.00 0.44 C ATOM 172 CD1 LEU A 12 -9.923 12.868 -4.449 1.00 61.51 C ATOM 173 CD2 LEU A 12 -11.998 13.998 -3.629 1.00 43.50 C ATOM 0 H LEU A 12 -11.782 15.010 -8.641 1.00 72.35 H new ATOM 0 HA LEU A 12 -10.923 12.474 -7.372 1.00 55.23 H new ATOM 0 HB2 LEU A 12 -10.462 14.681 -6.114 1.00 63.33 H new ATOM 0 HB3 LEU A 12 -12.201 14.832 -5.963 1.00 63.33 H new ATOM 0 HG LEU A 12 -11.921 12.344 -4.975 1.00 0.44 H new ATOM 0 HD11 LEU A 12 -9.917 12.260 -3.544 1.00 61.51 H new ATOM 0 HD12 LEU A 12 -9.494 12.297 -5.273 1.00 61.51 H new ATOM 0 HD13 LEU A 12 -9.331 13.768 -4.284 1.00 61.51 H new ATOM 0 HD21 LEU A 12 -11.964 13.375 -2.735 1.00 43.50 H new ATOM 0 HD22 LEU A 12 -11.457 14.926 -3.445 1.00 43.50 H new ATOM 0 HD23 LEU A 12 -13.036 14.225 -3.873 1.00 43.50 H new ATOM 185 N VAL A 13 -13.254 11.615 -7.208 1.00 54.32 N ATOM 186 CA VAL A 13 -14.594 11.047 -7.295 1.00 14.24 C ATOM 187 C VAL A 13 -14.992 10.375 -5.985 1.00 40.32 C ATOM 188 O VAL A 13 -14.288 9.498 -5.487 1.00 33.21 O ATOM 189 CB VAL A 13 -14.696 10.020 -8.438 1.00 22.24 C ATOM 190 CG1 VAL A 13 -16.110 9.469 -8.536 1.00 70.45 C ATOM 191 CG2 VAL A 13 -14.265 10.645 -9.756 1.00 12.53 C ATOM 0 H VAL A 13 -12.537 10.959 -6.899 1.00 54.32 H new ATOM 0 HA VAL A 13 -15.275 11.873 -7.498 1.00 14.24 H new ATOM 0 HB VAL A 13 -14.023 9.191 -8.219 1.00 22.24 H new ATOM 0 HG11 VAL A 13 -16.163 8.745 -9.349 1.00 70.45 H new ATOM 0 HG12 VAL A 13 -16.376 8.982 -7.598 1.00 70.45 H new ATOM 0 HG13 VAL A 13 -16.806 10.285 -8.731 1.00 70.45 H new ATOM 0 HG21 VAL A 13 -14.343 9.905 -10.552 1.00 12.53 H new ATOM 0 HG22 VAL A 13 -14.910 11.494 -9.984 1.00 12.53 H new ATOM 0 HG23 VAL A 13 -13.232 10.985 -9.677 1.00 12.53 H new ATOM 201 N GLY A 14 -16.126 10.794 -5.432 1.00 75.31 N ATOM 202 CA GLY A 14 -16.599 10.221 -4.185 1.00 0.40 C ATOM 203 C GLY A 14 -18.108 10.079 -4.147 1.00 44.12 C ATOM 204 O GLY A 14 -18.695 9.401 -4.990 1.00 53.32 O ATOM 0 H GLY A 14 -16.725 11.520 -5.825 1.00 75.31 H new ATOM 0 HA2 GLY A 14 -16.141 9.242 -4.042 1.00 0.40 H new ATOM 0 HA3 GLY A 14 -16.275 10.849 -3.355 1.00 0.40 H new ATOM 208 N ASP A 15 -18.736 10.718 -3.167 1.00 0.05 N ATOM 209 CA ASP A 15 -20.186 10.659 -3.021 1.00 42.24 C ATOM 210 C ASP A 15 -20.773 12.058 -2.858 1.00 22.31 C ATOM 211 O ASP A 15 -21.807 12.236 -2.214 1.00 51.25 O ATOM 212 CB ASP A 15 -20.565 9.790 -1.821 1.00 61.04 C ATOM 213 CG ASP A 15 -20.580 8.312 -2.159 1.00 11.01 C ATOM 214 OD1 ASP A 15 -21.397 7.906 -3.013 1.00 3.44 O ATOM 215 OD2 ASP A 15 -19.775 7.561 -1.570 1.00 1.10 O ATOM 0 H ASP A 15 -18.264 11.283 -2.461 1.00 0.05 H new ATOM 0 HA ASP A 15 -20.600 10.214 -3.926 1.00 42.24 H new ATOM 0 HB2 ASP A 15 -19.859 9.967 -1.010 1.00 61.04 H new ATOM 0 HB3 ASP A 15 -21.549 10.087 -1.457 1.00 61.04 H new ATOM 220 N ASP A 16 -20.105 13.046 -3.443 1.00 73.11 N ATOM 221 CA ASP A 16 -20.561 14.429 -3.362 1.00 45.05 C ATOM 222 C ASP A 16 -20.707 14.869 -1.909 1.00 71.01 C ATOM 223 O ASP A 16 -21.816 15.104 -1.428 1.00 74.44 O ATOM 224 CB ASP A 16 -21.893 14.593 -4.095 1.00 12.31 C ATOM 225 CG ASP A 16 -21.955 13.780 -5.373 1.00 54.30 C ATOM 226 OD1 ASP A 16 -22.082 12.541 -5.283 1.00 11.02 O ATOM 227 OD2 ASP A 16 -21.878 14.383 -6.464 1.00 12.44 O ATOM 0 H ASP A 16 -19.247 12.915 -3.978 1.00 73.11 H new ATOM 0 HA ASP A 16 -19.813 15.061 -3.840 1.00 45.05 H new ATOM 0 HB2 ASP A 16 -22.707 14.291 -3.436 1.00 12.31 H new ATOM 0 HB3 ASP A 16 -22.048 15.646 -4.330 1.00 12.31 H new ATOM 232 N THR A 17 -19.580 14.978 -1.213 1.00 0.15 N ATOM 233 CA THR A 17 -19.583 15.387 0.186 1.00 4.42 C ATOM 234 C THR A 17 -19.022 16.796 0.348 1.00 32.31 C ATOM 235 O THR A 17 -18.052 17.168 -0.312 1.00 20.31 O ATOM 236 CB THR A 17 -18.762 14.417 1.057 1.00 42.31 C ATOM 237 OG1 THR A 17 -17.653 13.906 0.309 1.00 74.54 O ATOM 238 CG2 THR A 17 -19.626 13.265 1.545 1.00 73.41 C ATOM 0 H THR A 17 -18.653 14.789 -1.595 1.00 0.15 H new ATOM 0 HA THR A 17 -20.621 15.371 0.518 1.00 4.42 H new ATOM 0 HB THR A 17 -18.393 14.965 1.924 1.00 42.31 H new ATOM 0 HG1 THR A 17 -17.135 13.292 0.870 1.00 74.54 H new ATOM 0 HG21 THR A 17 -19.025 12.593 2.158 1.00 73.41 H new ATOM 0 HG22 THR A 17 -20.452 13.656 2.139 1.00 73.41 H new ATOM 0 HG23 THR A 17 -20.021 12.719 0.689 1.00 73.41 H new ATOM 246 N SER A 18 -19.639 17.575 1.231 1.00 43.22 N ATOM 247 CA SER A 18 -19.203 18.945 1.477 1.00 23.31 C ATOM 248 C SER A 18 -17.826 18.967 2.134 1.00 31.44 C ATOM 249 O SER A 18 -17.150 19.995 2.150 1.00 42.23 O ATOM 250 CB SER A 18 -20.215 19.673 2.363 1.00 11.11 C ATOM 251 OG SER A 18 -20.023 21.076 2.310 1.00 42.11 O ATOM 0 H SER A 18 -20.442 17.281 1.788 1.00 43.22 H new ATOM 0 HA SER A 18 -19.137 19.457 0.517 1.00 23.31 H new ATOM 0 HB2 SER A 18 -21.227 19.429 2.041 1.00 11.11 H new ATOM 0 HB3 SER A 18 -20.116 19.328 3.392 1.00 11.11 H new ATOM 0 HG SER A 18 -20.683 21.518 2.883 1.00 42.11 H new ATOM 257 N ARG A 19 -17.418 17.824 2.677 1.00 71.13 N ATOM 258 CA ARG A 19 -16.123 17.711 3.337 1.00 51.11 C ATOM 259 C ARG A 19 -14.996 17.625 2.312 1.00 40.30 C ATOM 260 O ARG A 19 -13.819 17.586 2.671 1.00 43.14 O ATOM 261 CB ARG A 19 -16.095 16.481 4.245 1.00 35.44 C ATOM 262 CG ARG A 19 -15.203 16.644 5.465 1.00 64.54 C ATOM 263 CD ARG A 19 -16.018 16.904 6.721 1.00 21.15 C ATOM 264 NE ARG A 19 -16.020 18.317 7.090 1.00 44.12 N ATOM 265 CZ ARG A 19 -16.559 18.784 8.210 1.00 21.15 C ATOM 266 NH1 ARG A 19 -17.136 17.954 9.068 1.00 33.20 N ATOM 267 NH2 ARG A 19 -16.521 20.083 8.476 1.00 44.55 N ATOM 0 H ARG A 19 -17.966 16.964 2.673 1.00 71.13 H new ATOM 0 HA ARG A 19 -15.973 18.605 3.943 1.00 51.11 H new ATOM 0 HB2 ARG A 19 -17.110 16.260 4.575 1.00 35.44 H new ATOM 0 HB3 ARG A 19 -15.753 15.622 3.668 1.00 35.44 H new ATOM 0 HG2 ARG A 19 -14.602 15.745 5.600 1.00 64.54 H new ATOM 0 HG3 ARG A 19 -14.510 17.469 5.302 1.00 64.54 H new ATOM 0 HD2 ARG A 19 -17.043 16.569 6.563 1.00 21.15 H new ATOM 0 HD3 ARG A 19 -15.613 16.315 7.544 1.00 21.15 H new ATOM 0 HE ARG A 19 -15.583 18.982 6.452 1.00 44.12 H new ATOM 0 HH11 ARG A 19 -17.167 16.954 8.868 1.00 33.20 H new ATOM 0 HH12 ARG A 19 -17.549 18.315 9.928 1.00 33.20 H new ATOM 0 HH21 ARG A 19 -16.077 20.725 7.820 1.00 44.55 H new ATOM 0 HH22 ARG A 19 -16.936 20.440 9.337 1.00 44.55 H new ATOM 281 N TYR A 20 -15.365 17.596 1.036 1.00 24.12 N ATOM 282 CA TYR A 20 -14.385 17.512 -0.041 1.00 32.43 C ATOM 283 C TYR A 20 -13.375 18.651 0.052 1.00 63.14 C ATOM 284 O TYR A 20 -12.200 18.481 -0.274 1.00 74.33 O ATOM 285 CB TYR A 20 -15.086 17.546 -1.400 1.00 32.32 C ATOM 286 CG TYR A 20 -15.529 18.930 -1.818 1.00 64.44 C ATOM 287 CD1 TYR A 20 -16.496 19.619 -1.097 1.00 60.22 C ATOM 288 CD2 TYR A 20 -14.980 19.548 -2.935 1.00 72.33 C ATOM 289 CE1 TYR A 20 -16.904 20.883 -1.476 1.00 41.12 C ATOM 290 CE2 TYR A 20 -15.381 20.812 -3.321 1.00 1.33 C ATOM 291 CZ TYR A 20 -16.343 21.476 -2.588 1.00 70.32 C ATOM 292 OH TYR A 20 -16.746 22.735 -2.970 1.00 21.02 O ATOM 0 H TYR A 20 -16.335 17.629 0.722 1.00 24.12 H new ATOM 0 HA TYR A 20 -13.850 16.568 0.061 1.00 32.43 H new ATOM 0 HB2 TYR A 20 -14.412 17.145 -2.157 1.00 32.32 H new ATOM 0 HB3 TYR A 20 -15.956 16.890 -1.367 1.00 32.32 H new ATOM 0 HD1 TYR A 20 -16.936 19.158 -0.225 1.00 60.22 H new ATOM 0 HD2 TYR A 20 -14.227 19.031 -3.511 1.00 72.33 H new ATOM 0 HE1 TYR A 20 -17.658 21.404 -0.905 1.00 41.12 H new ATOM 0 HE2 TYR A 20 -14.944 21.278 -4.192 1.00 1.33 H new ATOM 0 HH TYR A 20 -16.252 23.007 -3.772 1.00 21.02 H new ATOM 302 N GLU A 21 -13.841 19.812 0.499 1.00 15.50 N ATOM 303 CA GLU A 21 -12.979 20.980 0.634 1.00 0.44 C ATOM 304 C GLU A 21 -11.998 20.801 1.789 1.00 4.12 C ATOM 305 O GLU A 21 -10.808 21.086 1.655 1.00 31.24 O ATOM 306 CB GLU A 21 -13.819 22.240 0.856 1.00 74.23 C ATOM 307 CG GLU A 21 -14.732 22.157 2.067 1.00 13.25 C ATOM 308 CD GLU A 21 -15.923 23.091 1.966 1.00 60.54 C ATOM 309 OE1 GLU A 21 -16.432 23.283 0.842 1.00 74.20 O ATOM 310 OE2 GLU A 21 -16.345 23.629 3.011 1.00 73.54 O ATOM 0 H GLU A 21 -14.811 19.969 0.774 1.00 15.50 H new ATOM 0 HA GLU A 21 -12.411 21.089 -0.290 1.00 0.44 H new ATOM 0 HB2 GLU A 21 -13.153 23.095 0.972 1.00 74.23 H new ATOM 0 HB3 GLU A 21 -14.423 22.425 -0.032 1.00 74.23 H new ATOM 0 HG2 GLU A 21 -15.087 21.133 2.180 1.00 13.25 H new ATOM 0 HG3 GLU A 21 -14.162 22.397 2.964 1.00 13.25 H new ATOM 317 N GLU A 22 -12.506 20.328 2.922 1.00 35.25 N ATOM 318 CA GLU A 22 -11.675 20.112 4.101 1.00 52.11 C ATOM 319 C GLU A 22 -10.665 18.994 3.857 1.00 13.41 C ATOM 320 O GLU A 22 -9.496 19.108 4.225 1.00 61.03 O ATOM 321 CB GLU A 22 -12.547 19.772 5.312 1.00 64.12 C ATOM 322 CG GLU A 22 -11.762 19.627 6.605 1.00 40.21 C ATOM 323 CD GLU A 22 -10.801 20.777 6.836 1.00 42.12 C ATOM 324 OE1 GLU A 22 -11.167 21.928 6.518 1.00 1.34 O ATOM 325 OE2 GLU A 22 -9.683 20.526 7.333 1.00 14.44 O ATOM 0 H GLU A 22 -13.489 20.087 3.049 1.00 35.25 H new ATOM 0 HA GLU A 22 -11.129 21.034 4.303 1.00 52.11 H new ATOM 0 HB2 GLU A 22 -13.299 20.551 5.438 1.00 64.12 H new ATOM 0 HB3 GLU A 22 -13.081 18.843 5.115 1.00 64.12 H new ATOM 0 HG2 GLU A 22 -12.457 19.565 7.443 1.00 40.21 H new ATOM 0 HG3 GLU A 22 -11.204 18.691 6.584 1.00 40.21 H new ATOM 332 N VAL A 23 -11.126 17.914 3.235 1.00 70.21 N ATOM 333 CA VAL A 23 -10.264 16.775 2.941 1.00 12.10 C ATOM 334 C VAL A 23 -9.063 17.197 2.102 1.00 75.23 C ATOM 335 O VAL A 23 -7.930 16.807 2.381 1.00 33.23 O ATOM 336 CB VAL A 23 -11.033 15.667 2.197 1.00 22.22 C ATOM 337 CG1 VAL A 23 -10.108 14.505 1.866 1.00 10.40 C ATOM 338 CG2 VAL A 23 -12.220 15.195 3.024 1.00 45.11 C ATOM 0 H VAL A 23 -12.091 17.804 2.925 1.00 70.21 H new ATOM 0 HA VAL A 23 -9.916 16.386 3.898 1.00 12.10 H new ATOM 0 HB VAL A 23 -11.412 16.077 1.261 1.00 22.22 H new ATOM 0 HG11 VAL A 23 -10.669 13.732 1.341 1.00 10.40 H new ATOM 0 HG12 VAL A 23 -9.294 14.857 1.232 1.00 10.40 H new ATOM 0 HG13 VAL A 23 -9.698 14.093 2.788 1.00 10.40 H new ATOM 0 HG21 VAL A 23 -12.752 14.412 2.483 1.00 45.11 H new ATOM 0 HG22 VAL A 23 -11.866 14.802 3.977 1.00 45.11 H new ATOM 0 HG23 VAL A 23 -12.893 16.033 3.205 1.00 45.11 H new ATOM 348 N MET A 24 -9.320 17.997 1.072 1.00 70.43 N ATOM 349 CA MET A 24 -8.259 18.473 0.192 1.00 51.11 C ATOM 350 C MET A 24 -7.416 19.539 0.885 1.00 54.44 C ATOM 351 O MET A 24 -6.198 19.588 0.717 1.00 24.34 O ATOM 352 CB MET A 24 -8.853 19.036 -1.100 1.00 55.25 C ATOM 353 CG MET A 24 -8.974 18.007 -2.213 1.00 2.12 C ATOM 354 SD MET A 24 -7.370 17.461 -2.830 1.00 32.41 S ATOM 355 CE MET A 24 -7.421 15.720 -2.411 1.00 35.04 C ATOM 0 H MET A 24 -10.253 18.329 0.827 1.00 70.43 H new ATOM 0 HA MET A 24 -7.616 17.627 -0.051 1.00 51.11 H new ATOM 0 HB2 MET A 24 -9.840 19.447 -0.887 1.00 55.25 H new ATOM 0 HB3 MET A 24 -8.232 19.862 -1.446 1.00 55.25 H new ATOM 0 HG2 MET A 24 -9.531 17.145 -1.847 1.00 2.12 H new ATOM 0 HG3 MET A 24 -9.550 18.432 -3.035 1.00 2.12 H new ATOM 0 HE1 MET A 24 -6.553 15.217 -2.838 1.00 35.04 H new ATOM 0 HE2 MET A 24 -7.409 15.606 -1.327 1.00 35.04 H new ATOM 0 HE3 MET A 24 -8.332 15.276 -2.812 1.00 35.04 H new ATOM 365 N LYS A 25 -8.073 20.393 1.663 1.00 52.14 N ATOM 366 CA LYS A 25 -7.385 21.459 2.382 1.00 71.42 C ATOM 367 C LYS A 25 -6.263 20.894 3.248 1.00 52.25 C ATOM 368 O LYS A 25 -5.262 21.565 3.501 1.00 52.51 O ATOM 369 CB LYS A 25 -8.375 22.235 3.253 1.00 4.34 C ATOM 370 CG LYS A 25 -8.644 23.646 2.758 1.00 31.34 C ATOM 371 CD LYS A 25 -9.259 23.641 1.369 1.00 14.11 C ATOM 372 CE LYS A 25 -9.226 25.026 0.740 1.00 64.50 C ATOM 373 NZ LYS A 25 -10.028 26.009 1.519 1.00 34.50 N ATOM 0 H LYS A 25 -9.082 20.367 1.812 1.00 52.14 H new ATOM 0 HA LYS A 25 -6.948 22.136 1.648 1.00 71.42 H new ATOM 0 HB2 LYS A 25 -9.317 21.688 3.294 1.00 4.34 H new ATOM 0 HB3 LYS A 25 -7.990 22.283 4.271 1.00 4.34 H new ATOM 0 HG2 LYS A 25 -9.314 24.155 3.452 1.00 31.34 H new ATOM 0 HG3 LYS A 25 -7.712 24.211 2.742 1.00 31.34 H new ATOM 0 HD2 LYS A 25 -8.720 22.939 0.734 1.00 14.11 H new ATOM 0 HD3 LYS A 25 -10.290 23.291 1.427 1.00 14.11 H new ATOM 0 HE2 LYS A 25 -8.194 25.370 0.674 1.00 64.50 H new ATOM 0 HE3 LYS A 25 -9.609 24.971 -0.279 1.00 64.50 H new ATOM 0 HZ1 LYS A 25 -10.036 26.922 1.022 1.00 34.50 H new ATOM 0 HZ2 LYS A 25 -11.003 25.661 1.618 1.00 34.50 H new ATOM 0 HZ3 LYS A 25 -9.606 26.132 2.462 1.00 34.50 H new ATOM 387 N THR A 26 -6.436 19.655 3.698 1.00 5.44 N ATOM 388 CA THR A 26 -5.438 19.001 4.535 1.00 22.11 C ATOM 389 C THR A 26 -4.073 18.990 3.857 1.00 42.04 C ATOM 390 O THR A 26 -3.039 18.901 4.520 1.00 53.21 O ATOM 391 CB THR A 26 -5.845 17.553 4.867 1.00 72.24 C ATOM 392 OG1 THR A 26 -5.712 16.728 3.704 1.00 50.03 O ATOM 393 CG2 THR A 26 -7.278 17.496 5.373 1.00 15.42 C ATOM 0 H THR A 26 -7.257 19.085 3.497 1.00 5.44 H new ATOM 0 HA THR A 26 -5.377 19.575 5.460 1.00 22.11 H new ATOM 0 HB THR A 26 -5.184 17.184 5.652 1.00 72.24 H new ATOM 0 HG1 THR A 26 -6.601 16.486 3.371 1.00 50.03 H new ATOM 0 HG21 THR A 26 -7.543 16.463 5.601 1.00 15.42 H new ATOM 0 HG22 THR A 26 -7.370 18.102 6.275 1.00 15.42 H new ATOM 0 HG23 THR A 26 -7.950 17.882 4.607 1.00 15.42 H new ATOM 401 N PHE A 27 -4.075 19.082 2.531 1.00 74.31 N ATOM 402 CA PHE A 27 -2.836 19.082 1.762 1.00 13.11 C ATOM 403 C PHE A 27 -2.483 20.493 1.301 1.00 41.11 C ATOM 404 O PHE A 27 -3.184 21.083 0.479 1.00 73.12 O ATOM 405 CB PHE A 27 -2.962 18.154 0.552 1.00 43.21 C ATOM 406 CG PHE A 27 -2.240 16.848 0.721 1.00 35.42 C ATOM 407 CD1 PHE A 27 -2.820 15.808 1.430 1.00 11.03 C ATOM 408 CD2 PHE A 27 -0.983 16.659 0.171 1.00 4.35 C ATOM 409 CE1 PHE A 27 -2.159 14.604 1.588 1.00 53.24 C ATOM 410 CE2 PHE A 27 -0.317 15.458 0.325 1.00 33.31 C ATOM 411 CZ PHE A 27 -0.906 14.429 1.035 1.00 2.30 C ATOM 0 H PHE A 27 -4.921 19.158 1.967 1.00 74.31 H new ATOM 0 HA PHE A 27 -2.036 18.719 2.408 1.00 13.11 H new ATOM 0 HB2 PHE A 27 -4.017 17.955 0.365 1.00 43.21 H new ATOM 0 HB3 PHE A 27 -2.573 18.664 -0.329 1.00 43.21 H new ATOM 0 HD1 PHE A 27 -3.800 15.940 1.864 1.00 11.03 H new ATOM 0 HD2 PHE A 27 -0.518 17.460 -0.385 1.00 4.35 H new ATOM 0 HE1 PHE A 27 -2.622 13.802 2.143 1.00 53.24 H new ATOM 0 HE2 PHE A 27 0.663 15.324 -0.109 1.00 33.31 H new ATOM 0 HZ PHE A 27 -0.387 13.490 1.157 1.00 2.30 H new ATOM 421 N ASP A 28 -1.391 21.028 1.837 1.00 73.05 N ATOM 422 CA ASP A 28 -0.943 22.369 1.480 1.00 14.35 C ATOM 423 C ASP A 28 -0.801 22.511 -0.032 1.00 2.13 C ATOM 424 O ASP A 28 -0.936 23.606 -0.580 1.00 34.34 O ATOM 425 CB ASP A 28 0.389 22.683 2.163 1.00 62.04 C ATOM 426 CG ASP A 28 0.576 24.166 2.414 1.00 41.45 C ATOM 427 OD1 ASP A 28 0.039 24.669 3.422 1.00 2.24 O ATOM 428 OD2 ASP A 28 1.259 24.825 1.600 1.00 34.35 O ATOM 0 H ASP A 28 -0.800 20.554 2.520 1.00 73.05 H new ATOM 0 HA ASP A 28 -1.695 23.080 1.823 1.00 14.35 H new ATOM 0 HB2 ASP A 28 0.443 22.148 3.111 1.00 62.04 H new ATOM 0 HB3 ASP A 28 1.207 22.317 1.543 1.00 62.04 H new ATOM 433 N THR A 29 -0.525 21.397 -0.702 1.00 70.32 N ATOM 434 CA THR A 29 -0.362 21.397 -2.150 1.00 65.44 C ATOM 435 C THR A 29 -1.623 21.896 -2.846 1.00 44.01 C ATOM 436 O THR A 29 -1.560 22.451 -3.943 1.00 52.31 O ATOM 437 CB THR A 29 -0.021 19.990 -2.677 1.00 71.23 C ATOM 438 OG1 THR A 29 1.105 19.460 -1.968 1.00 52.44 O ATOM 439 CG2 THR A 29 0.284 20.029 -4.167 1.00 51.11 C ATOM 0 H THR A 29 -0.410 20.483 -0.265 1.00 70.32 H new ATOM 0 HA THR A 29 0.464 22.071 -2.375 1.00 65.44 H new ATOM 0 HB THR A 29 -0.886 19.347 -2.516 1.00 71.23 H new ATOM 0 HG1 THR A 29 0.845 18.631 -1.515 1.00 52.44 H new ATOM 0 HG21 THR A 29 0.522 19.024 -4.516 1.00 51.11 H new ATOM 0 HG22 THR A 29 -0.585 20.404 -4.707 1.00 51.11 H new ATOM 0 HG23 THR A 29 1.134 20.686 -4.347 1.00 51.11 H new ATOM 447 N VAL A 30 -2.768 21.696 -2.201 1.00 64.31 N ATOM 448 CA VAL A 30 -4.044 22.128 -2.757 1.00 72.35 C ATOM 449 C VAL A 30 -4.175 23.646 -2.718 1.00 14.02 C ATOM 450 O VAL A 30 -3.938 24.272 -1.685 1.00 53.03 O ATOM 451 CB VAL A 30 -5.228 21.501 -1.998 1.00 34.03 C ATOM 452 CG1 VAL A 30 -6.550 22.002 -2.561 1.00 64.42 C ATOM 453 CG2 VAL A 30 -5.155 19.983 -2.057 1.00 32.33 C ATOM 0 H VAL A 30 -2.838 21.237 -1.293 1.00 64.31 H new ATOM 0 HA VAL A 30 -4.068 21.791 -3.793 1.00 72.35 H new ATOM 0 HB VAL A 30 -5.168 21.804 -0.953 1.00 34.03 H new ATOM 0 HG11 VAL A 30 -7.375 21.548 -2.012 1.00 64.42 H new ATOM 0 HG12 VAL A 30 -6.601 23.086 -2.461 1.00 64.42 H new ATOM 0 HG13 VAL A 30 -6.623 21.731 -3.614 1.00 64.42 H new ATOM 0 HG21 VAL A 30 -5.999 19.557 -1.515 1.00 32.33 H new ATOM 0 HG22 VAL A 30 -5.189 19.657 -3.097 1.00 32.33 H new ATOM 0 HG23 VAL A 30 -4.224 19.646 -1.601 1.00 32.33 H new ATOM 463 N GLU A 31 -4.555 24.232 -3.849 1.00 71.43 N ATOM 464 CA GLU A 31 -4.717 25.678 -3.943 1.00 75.41 C ATOM 465 C GLU A 31 -6.195 26.058 -3.972 1.00 1.51 C ATOM 466 O GLU A 31 -6.614 27.010 -3.314 1.00 53.34 O ATOM 467 CB GLU A 31 -4.017 26.212 -5.194 1.00 74.45 C ATOM 468 CG GLU A 31 -3.804 27.716 -5.178 1.00 33.05 C ATOM 469 CD GLU A 31 -2.991 28.203 -6.361 1.00 53.41 C ATOM 470 OE1 GLU A 31 -3.000 27.523 -7.408 1.00 23.10 O ATOM 471 OE2 GLU A 31 -2.347 29.266 -6.240 1.00 4.22 O ATOM 0 H GLU A 31 -4.756 23.728 -4.713 1.00 71.43 H new ATOM 0 HA GLU A 31 -4.261 26.128 -3.061 1.00 75.41 H new ATOM 0 HB2 GLU A 31 -3.051 25.718 -5.298 1.00 74.45 H new ATOM 0 HB3 GLU A 31 -4.607 25.947 -6.071 1.00 74.45 H new ATOM 0 HG2 GLU A 31 -4.772 28.216 -5.177 1.00 33.05 H new ATOM 0 HG3 GLU A 31 -3.299 27.998 -4.254 1.00 33.05 H new ATOM 478 N ALA A 32 -6.978 25.308 -4.740 1.00 14.04 N ATOM 479 CA ALA A 32 -8.409 25.565 -4.854 1.00 4.23 C ATOM 480 C ALA A 32 -9.143 24.349 -5.407 1.00 63.51 C ATOM 481 O ALA A 32 -8.522 23.414 -5.914 1.00 51.13 O ATOM 482 CB ALA A 32 -8.658 26.780 -5.735 1.00 3.21 C ATOM 0 H ALA A 32 -6.646 24.518 -5.293 1.00 14.04 H new ATOM 0 HA ALA A 32 -8.797 25.768 -3.856 1.00 4.23 H new ATOM 0 HB1 ALA A 32 -9.730 26.960 -5.811 1.00 3.21 H new ATOM 0 HB2 ALA A 32 -8.174 27.653 -5.297 1.00 3.21 H new ATOM 0 HB3 ALA A 32 -8.249 26.599 -6.729 1.00 3.21 H new ATOM 488 N VAL A 33 -10.468 24.366 -5.306 1.00 30.04 N ATOM 489 CA VAL A 33 -11.287 23.264 -5.796 1.00 41.05 C ATOM 490 C VAL A 33 -12.443 23.776 -6.648 1.00 72.42 C ATOM 491 O VAL A 33 -12.940 24.882 -6.438 1.00 14.12 O ATOM 492 CB VAL A 33 -11.851 22.424 -4.636 1.00 33.34 C ATOM 493 CG1 VAL A 33 -12.534 21.172 -5.165 1.00 54.01 C ATOM 494 CG2 VAL A 33 -10.747 22.064 -3.653 1.00 72.52 C ATOM 0 H VAL A 33 -10.998 25.132 -4.889 1.00 30.04 H new ATOM 0 HA VAL A 33 -10.639 22.636 -6.407 1.00 41.05 H new ATOM 0 HB VAL A 33 -12.596 23.020 -4.108 1.00 33.34 H new ATOM 0 HG11 VAL A 33 -12.926 20.591 -4.330 1.00 54.01 H new ATOM 0 HG12 VAL A 33 -13.353 21.456 -5.826 1.00 54.01 H new ATOM 0 HG13 VAL A 33 -11.813 20.570 -5.718 1.00 54.01 H new ATOM 0 HG21 VAL A 33 -11.164 21.470 -2.839 1.00 72.52 H new ATOM 0 HG22 VAL A 33 -9.977 21.487 -4.166 1.00 72.52 H new ATOM 0 HG23 VAL A 33 -10.308 22.976 -3.249 1.00 72.52 H new ATOM 504 N ARG A 34 -12.867 22.963 -7.610 1.00 71.34 N ATOM 505 CA ARG A 34 -13.965 23.333 -8.495 1.00 50.31 C ATOM 506 C ARG A 34 -14.828 22.120 -8.828 1.00 32.20 C ATOM 507 O ARG A 34 -14.314 21.043 -9.132 1.00 53.10 O ATOM 508 CB ARG A 34 -13.423 23.955 -9.783 1.00 44.50 C ATOM 509 CG ARG A 34 -13.253 25.464 -9.706 1.00 62.02 C ATOM 510 CD ARG A 34 -14.597 26.175 -9.681 1.00 43.31 C ATOM 511 NE ARG A 34 -15.077 26.486 -11.025 1.00 62.30 N ATOM 512 CZ ARG A 34 -14.509 27.388 -11.818 1.00 34.20 C ATOM 513 NH1 ARG A 34 -13.447 28.064 -11.404 1.00 40.41 N ATOM 514 NH2 ARG A 34 -15.004 27.614 -13.028 1.00 55.21 N ATOM 0 H ARG A 34 -12.467 22.044 -7.796 1.00 71.34 H new ATOM 0 HA ARG A 34 -14.583 24.066 -7.977 1.00 50.31 H new ATOM 0 HB2 ARG A 34 -12.461 23.501 -10.019 1.00 44.50 H new ATOM 0 HB3 ARG A 34 -14.098 23.715 -10.604 1.00 44.50 H new ATOM 0 HG2 ARG A 34 -12.687 25.722 -8.811 1.00 62.02 H new ATOM 0 HG3 ARG A 34 -12.673 25.810 -10.561 1.00 62.02 H new ATOM 0 HD2 ARG A 34 -15.329 25.549 -9.171 1.00 43.31 H new ATOM 0 HD3 ARG A 34 -14.509 27.096 -9.105 1.00 43.31 H new ATOM 0 HE ARG A 34 -15.893 25.983 -11.374 1.00 62.30 H new ATOM 0 HH11 ARG A 34 -13.064 27.892 -10.474 1.00 40.41 H new ATOM 0 HH12 ARG A 34 -13.013 28.756 -12.015 1.00 40.41 H new ATOM 0 HH21 ARG A 34 -15.821 27.095 -13.350 1.00 55.21 H new ATOM 0 HH22 ARG A 34 -14.568 28.307 -13.636 1.00 55.21 H new ATOM 528 N LYS A 35 -16.143 22.301 -8.768 1.00 11.21 N ATOM 529 CA LYS A 35 -17.079 21.223 -9.063 1.00 70.13 C ATOM 530 C LYS A 35 -17.304 21.094 -10.566 1.00 43.15 C ATOM 531 O LYS A 35 -17.242 22.081 -11.300 1.00 34.04 O ATOM 532 CB LYS A 35 -18.414 21.470 -8.357 1.00 3.53 C ATOM 533 CG LYS A 35 -19.251 22.560 -9.003 1.00 53.14 C ATOM 534 CD LYS A 35 -20.375 21.976 -9.842 1.00 72.55 C ATOM 535 CE LYS A 35 -21.434 21.315 -8.973 1.00 71.32 C ATOM 536 NZ LYS A 35 -21.871 20.005 -9.531 1.00 21.34 N ATOM 0 H LYS A 35 -16.585 23.185 -8.517 1.00 11.21 H new ATOM 0 HA LYS A 35 -16.648 20.292 -8.696 1.00 70.13 H new ATOM 0 HB2 LYS A 35 -18.987 20.543 -8.346 1.00 3.53 H new ATOM 0 HB3 LYS A 35 -18.222 21.739 -7.318 1.00 3.53 H new ATOM 0 HG2 LYS A 35 -19.670 23.205 -8.230 1.00 53.14 H new ATOM 0 HG3 LYS A 35 -18.615 23.185 -9.630 1.00 53.14 H new ATOM 0 HD2 LYS A 35 -20.833 22.765 -10.438 1.00 72.55 H new ATOM 0 HD3 LYS A 35 -19.967 21.245 -10.540 1.00 72.55 H new ATOM 0 HE2 LYS A 35 -21.039 21.168 -7.968 1.00 71.32 H new ATOM 0 HE3 LYS A 35 -22.295 21.977 -8.883 1.00 71.32 H new ATOM 0 HZ1 LYS A 35 -22.174 19.381 -8.756 1.00 21.34 H new ATOM 0 HZ2 LYS A 35 -22.665 20.154 -10.186 1.00 21.34 H new ATOM 0 HZ3 LYS A 35 -21.079 19.563 -10.041 1.00 21.34 H new ATOM 550 N SER A 36 -17.566 19.872 -11.019 1.00 25.25 N ATOM 551 CA SER A 36 -17.797 19.614 -12.435 1.00 12.10 C ATOM 552 C SER A 36 -19.281 19.726 -12.772 1.00 31.32 C ATOM 553 O SER A 36 -20.106 18.975 -12.250 1.00 65.21 O ATOM 554 CB SER A 36 -17.280 18.225 -12.814 1.00 22.05 C ATOM 555 OG SER A 36 -17.925 17.740 -13.978 1.00 50.55 O ATOM 0 H SER A 36 -17.624 19.045 -10.425 1.00 25.25 H new ATOM 0 HA SER A 36 -17.254 20.365 -13.009 1.00 12.10 H new ATOM 0 HB2 SER A 36 -16.204 18.268 -12.982 1.00 22.05 H new ATOM 0 HB3 SER A 36 -17.446 17.534 -11.988 1.00 22.05 H new ATOM 0 HG SER A 36 -17.576 16.852 -14.199 1.00 50.55 H new ATOM 561 N ASP A 37 -19.613 20.668 -13.647 1.00 51.20 N ATOM 562 CA ASP A 37 -20.997 20.879 -14.056 1.00 31.15 C ATOM 563 C ASP A 37 -21.562 19.630 -14.724 1.00 74.15 C ATOM 564 O ASP A 37 -22.730 19.287 -14.537 1.00 33.55 O ATOM 565 CB ASP A 37 -21.094 22.071 -15.009 1.00 10.35 C ATOM 566 CG ASP A 37 -22.428 22.131 -15.727 1.00 2.43 C ATOM 567 OD1 ASP A 37 -22.560 21.486 -16.788 1.00 34.02 O ATOM 568 OD2 ASP A 37 -23.339 22.823 -15.227 1.00 54.22 O ATOM 0 H ASP A 37 -18.943 21.298 -14.087 1.00 51.20 H new ATOM 0 HA ASP A 37 -21.586 21.090 -13.163 1.00 31.15 H new ATOM 0 HB2 ASP A 37 -20.945 22.994 -14.448 1.00 10.35 H new ATOM 0 HB3 ASP A 37 -20.291 22.011 -15.744 1.00 10.35 H new ATOM 573 N LEU A 38 -20.727 18.955 -15.506 1.00 75.45 N ATOM 574 CA LEU A 38 -21.144 17.744 -16.205 1.00 61.50 C ATOM 575 C LEU A 38 -21.411 16.611 -15.219 1.00 71.20 C ATOM 576 O LEU A 38 -22.410 15.900 -15.331 1.00 12.14 O ATOM 577 CB LEU A 38 -20.073 17.317 -17.211 1.00 10.42 C ATOM 578 CG LEU A 38 -20.175 17.940 -18.604 1.00 20.32 C ATOM 579 CD1 LEU A 38 -19.658 19.370 -18.589 1.00 30.23 C ATOM 580 CD2 LEU A 38 -19.408 17.104 -19.619 1.00 13.14 C ATOM 0 H LEU A 38 -19.758 19.225 -15.672 1.00 75.45 H new ATOM 0 HA LEU A 38 -22.069 17.963 -16.739 1.00 61.50 H new ATOM 0 HB2 LEU A 38 -19.095 17.561 -16.796 1.00 10.42 H new ATOM 0 HB3 LEU A 38 -20.113 16.233 -17.316 1.00 10.42 H new ATOM 0 HG LEU A 38 -21.225 17.959 -18.897 1.00 20.32 H new ATOM 0 HD11 LEU A 38 -19.739 19.797 -19.589 1.00 30.23 H new ATOM 0 HD12 LEU A 38 -20.250 19.964 -17.892 1.00 30.23 H new ATOM 0 HD13 LEU A 38 -18.614 19.376 -18.275 1.00 30.23 H new ATOM 0 HD21 LEU A 38 -19.491 17.562 -20.605 1.00 13.14 H new ATOM 0 HD22 LEU A 38 -18.358 17.054 -19.330 1.00 13.14 H new ATOM 0 HD23 LEU A 38 -19.825 16.097 -19.650 1.00 13.14 H new ATOM 592 N ASP A 39 -20.513 16.450 -14.253 1.00 72.04 N ATOM 593 CA ASP A 39 -20.653 15.406 -13.245 1.00 74.21 C ATOM 594 C ASP A 39 -20.542 15.989 -11.840 1.00 32.02 C ATOM 595 O ASP A 39 -19.488 16.489 -11.446 1.00 73.01 O ATOM 596 CB ASP A 39 -19.590 14.325 -13.448 1.00 11.22 C ATOM 597 CG ASP A 39 -19.822 13.514 -14.707 1.00 73.41 C ATOM 598 OD1 ASP A 39 -20.915 13.637 -15.300 1.00 22.01 O ATOM 599 OD2 ASP A 39 -18.911 12.756 -15.100 1.00 72.24 O ATOM 0 H ASP A 39 -19.680 17.029 -14.147 1.00 72.04 H new ATOM 0 HA ASP A 39 -21.641 14.958 -13.356 1.00 74.21 H new ATOM 0 HB2 ASP A 39 -18.606 14.792 -13.496 1.00 11.22 H new ATOM 0 HB3 ASP A 39 -19.585 13.658 -12.586 1.00 11.22 H new ATOM 604 N ASP A 40 -21.636 15.922 -11.089 1.00 50.30 N ATOM 605 CA ASP A 40 -21.662 16.444 -9.727 1.00 63.43 C ATOM 606 C ASP A 40 -20.787 15.600 -8.806 1.00 25.12 C ATOM 607 O ASP A 40 -20.365 16.057 -7.743 1.00 52.43 O ATOM 608 CB ASP A 40 -23.096 16.478 -9.198 1.00 75.54 C ATOM 609 CG ASP A 40 -24.094 16.900 -10.258 1.00 54.35 C ATOM 610 OD1 ASP A 40 -23.891 17.969 -10.873 1.00 32.32 O ATOM 611 OD2 ASP A 40 -25.078 16.162 -10.474 1.00 52.45 O ATOM 0 H ASP A 40 -22.516 15.511 -11.400 1.00 50.30 H new ATOM 0 HA ASP A 40 -21.266 17.459 -9.746 1.00 63.43 H new ATOM 0 HB2 ASP A 40 -23.365 15.491 -8.822 1.00 75.54 H new ATOM 0 HB3 ASP A 40 -23.153 17.166 -8.355 1.00 75.54 H new ATOM 616 N ARG A 41 -20.518 14.366 -9.220 1.00 31.24 N ATOM 617 CA ARG A 41 -19.695 13.457 -8.430 1.00 52.42 C ATOM 618 C ARG A 41 -18.226 13.572 -8.826 1.00 60.20 C ATOM 619 O ARG A 41 -17.410 12.718 -8.478 1.00 1.32 O ATOM 620 CB ARG A 41 -20.172 12.015 -8.611 1.00 54.22 C ATOM 621 CG ARG A 41 -21.683 11.860 -8.538 1.00 64.31 C ATOM 622 CD ARG A 41 -22.082 10.418 -8.267 1.00 25.44 C ATOM 623 NE ARG A 41 -23.529 10.232 -8.313 1.00 54.23 N ATOM 624 CZ ARG A 41 -24.125 9.054 -8.165 1.00 4.02 C ATOM 625 NH1 ARG A 41 -23.400 7.963 -7.961 1.00 31.43 N ATOM 626 NH2 ARG A 41 -25.447 8.966 -8.220 1.00 35.02 N ATOM 0 H ARG A 41 -20.858 13.973 -10.098 1.00 31.24 H new ATOM 0 HA ARG A 41 -19.794 13.736 -7.381 1.00 52.42 H new ATOM 0 HB2 ARG A 41 -19.823 11.644 -9.575 1.00 54.22 H new ATOM 0 HB3 ARG A 41 -19.714 11.391 -7.844 1.00 54.22 H new ATOM 0 HG2 ARG A 41 -22.078 12.502 -7.751 1.00 64.31 H new ATOM 0 HG3 ARG A 41 -22.130 12.192 -9.475 1.00 64.31 H new ATOM 0 HD2 ARG A 41 -21.609 9.767 -9.003 1.00 25.44 H new ATOM 0 HD3 ARG A 41 -21.709 10.117 -7.288 1.00 25.44 H new ATOM 0 HE ARG A 41 -24.115 11.052 -8.467 1.00 54.23 H new ATOM 0 HH11 ARG A 41 -22.383 8.027 -7.917 1.00 31.43 H new ATOM 0 HH12 ARG A 41 -23.859 7.059 -7.848 1.00 31.43 H new ATOM 0 HH21 ARG A 41 -26.008 9.804 -8.376 1.00 35.02 H new ATOM 0 HH22 ARG A 41 -25.903 8.061 -8.106 1.00 35.02 H new ATOM 640 N VAL A 42 -17.896 14.632 -9.557 1.00 10.24 N ATOM 641 CA VAL A 42 -16.526 14.859 -10.000 1.00 24.04 C ATOM 642 C VAL A 42 -16.044 16.251 -9.606 1.00 52.15 C ATOM 643 O VAL A 42 -16.738 17.244 -9.825 1.00 55.22 O ATOM 644 CB VAL A 42 -16.394 14.694 -11.525 1.00 54.23 C ATOM 645 CG1 VAL A 42 -14.946 14.865 -11.958 1.00 73.44 C ATOM 646 CG2 VAL A 42 -16.935 13.341 -11.963 1.00 42.31 C ATOM 0 H VAL A 42 -18.559 15.347 -9.855 1.00 10.24 H new ATOM 0 HA VAL A 42 -15.906 14.110 -9.507 1.00 24.04 H new ATOM 0 HB VAL A 42 -16.986 15.470 -12.010 1.00 54.23 H new ATOM 0 HG11 VAL A 42 -14.873 14.745 -13.039 1.00 73.44 H new ATOM 0 HG12 VAL A 42 -14.598 15.860 -11.679 1.00 73.44 H new ATOM 0 HG13 VAL A 42 -14.328 14.113 -11.467 1.00 73.44 H new ATOM 0 HG21 VAL A 42 -16.834 13.241 -13.044 1.00 42.31 H new ATOM 0 HG22 VAL A 42 -16.372 12.548 -11.471 1.00 42.31 H new ATOM 0 HG23 VAL A 42 -17.987 13.264 -11.688 1.00 42.31 H new ATOM 656 N TYR A 43 -14.851 16.316 -9.026 1.00 14.33 N ATOM 657 CA TYR A 43 -14.277 17.587 -8.600 1.00 11.11 C ATOM 658 C TYR A 43 -12.827 17.710 -9.058 1.00 52.52 C ATOM 659 O TYR A 43 -12.059 16.751 -8.990 1.00 13.22 O ATOM 660 CB TYR A 43 -14.356 17.722 -7.078 1.00 61.03 C ATOM 661 CG TYR A 43 -15.710 18.172 -6.580 1.00 14.34 C ATOM 662 CD1 TYR A 43 -16.751 17.265 -6.420 1.00 41.54 C ATOM 663 CD2 TYR A 43 -15.949 19.505 -6.267 1.00 33.13 C ATOM 664 CE1 TYR A 43 -17.990 17.673 -5.966 1.00 31.21 C ATOM 665 CE2 TYR A 43 -17.185 19.921 -5.810 1.00 70.01 C ATOM 666 CZ TYR A 43 -18.202 19.001 -5.662 1.00 12.41 C ATOM 667 OH TYR A 43 -19.435 19.411 -5.207 1.00 61.24 O ATOM 0 H TYR A 43 -14.263 15.504 -8.840 1.00 14.33 H new ATOM 0 HA TYR A 43 -14.854 18.390 -9.060 1.00 11.11 H new ATOM 0 HB2 TYR A 43 -14.112 16.762 -6.623 1.00 61.03 H new ATOM 0 HB3 TYR A 43 -13.601 18.434 -6.745 1.00 61.03 H new ATOM 0 HD1 TYR A 43 -16.588 16.223 -6.655 1.00 41.54 H new ATOM 0 HD2 TYR A 43 -15.155 20.228 -6.383 1.00 33.13 H new ATOM 0 HE1 TYR A 43 -18.789 16.955 -5.850 1.00 31.21 H new ATOM 0 HE2 TYR A 43 -17.354 20.960 -5.570 1.00 70.01 H new ATOM 0 HH TYR A 43 -19.417 20.376 -5.038 1.00 61.24 H new ATOM 677 N MET A 44 -12.460 18.899 -9.525 1.00 53.41 N ATOM 678 CA MET A 44 -11.102 19.150 -9.993 1.00 51.23 C ATOM 679 C MET A 44 -10.325 19.987 -8.983 1.00 4.43 C ATOM 680 O MET A 44 -10.700 21.120 -8.680 1.00 34.13 O ATOM 681 CB MET A 44 -11.130 19.861 -11.348 1.00 21.31 C ATOM 682 CG MET A 44 -11.878 21.184 -11.325 1.00 74.51 C ATOM 683 SD MET A 44 -13.072 21.329 -12.669 1.00 12.35 S ATOM 684 CE MET A 44 -14.285 20.105 -12.178 1.00 44.43 C ATOM 0 H MET A 44 -13.084 19.703 -9.589 1.00 53.41 H new ATOM 0 HA MET A 44 -10.600 18.189 -10.105 1.00 51.23 H new ATOM 0 HB2 MET A 44 -10.106 20.038 -11.678 1.00 21.31 H new ATOM 0 HB3 MET A 44 -11.593 19.204 -12.084 1.00 21.31 H new ATOM 0 HG2 MET A 44 -12.396 21.288 -10.371 1.00 74.51 H new ATOM 0 HG3 MET A 44 -11.162 22.003 -11.390 1.00 74.51 H new ATOM 0 HE1 MET A 44 -14.993 19.948 -12.992 1.00 44.43 H new ATOM 0 HE2 MET A 44 -13.782 19.166 -11.948 1.00 44.43 H new ATOM 0 HE3 MET A 44 -14.819 20.456 -11.295 1.00 44.43 H new ATOM 694 N VAL A 45 -9.239 19.423 -8.464 1.00 22.23 N ATOM 695 CA VAL A 45 -8.408 20.118 -7.488 1.00 31.23 C ATOM 696 C VAL A 45 -7.201 20.766 -8.156 1.00 24.32 C ATOM 697 O VAL A 45 -6.436 20.102 -8.857 1.00 52.24 O ATOM 698 CB VAL A 45 -7.918 19.161 -6.385 1.00 34.24 C ATOM 699 CG1 VAL A 45 -7.012 19.892 -5.406 1.00 51.43 C ATOM 700 CG2 VAL A 45 -9.100 18.533 -5.662 1.00 33.34 C ATOM 0 H VAL A 45 -8.914 18.486 -8.703 1.00 22.23 H new ATOM 0 HA VAL A 45 -9.029 20.892 -7.038 1.00 31.23 H new ATOM 0 HB VAL A 45 -7.340 18.363 -6.851 1.00 34.24 H new ATOM 0 HG11 VAL A 45 -6.676 19.199 -4.634 1.00 51.43 H new ATOM 0 HG12 VAL A 45 -6.148 20.290 -5.938 1.00 51.43 H new ATOM 0 HG13 VAL A 45 -7.562 20.711 -4.943 1.00 51.43 H new ATOM 0 HG21 VAL A 45 -8.736 17.860 -4.886 1.00 33.34 H new ATOM 0 HG22 VAL A 45 -9.706 19.316 -5.207 1.00 33.34 H new ATOM 0 HG23 VAL A 45 -9.706 17.972 -6.374 1.00 33.34 H new ATOM 710 N CYS A 46 -7.035 22.065 -7.933 1.00 63.32 N ATOM 711 CA CYS A 46 -5.919 22.804 -8.514 1.00 73.32 C ATOM 712 C CYS A 46 -4.809 23.008 -7.488 1.00 55.43 C ATOM 713 O CYS A 46 -4.980 23.739 -6.511 1.00 65.31 O ATOM 714 CB CYS A 46 -6.397 24.157 -9.043 1.00 73.43 C ATOM 715 SG CYS A 46 -6.980 24.116 -10.754 1.00 41.15 S ATOM 0 H CYS A 46 -7.658 22.628 -7.355 1.00 63.32 H new ATOM 0 HA CYS A 46 -5.519 22.219 -9.342 1.00 73.32 H new ATOM 0 HB2 CYS A 46 -7.202 24.521 -8.405 1.00 73.43 H new ATOM 0 HB3 CYS A 46 -5.580 24.874 -8.966 1.00 73.43 H new ATOM 0 HG CYS A 46 -7.365 25.306 -11.110 1.00 41.15 H new ATOM 721 N LEU A 47 -3.674 22.358 -7.716 1.00 3.12 N ATOM 722 CA LEU A 47 -2.535 22.467 -6.810 1.00 51.12 C ATOM 723 C LEU A 47 -1.817 23.800 -6.996 1.00 71.02 C ATOM 724 O LEU A 47 -1.985 24.471 -8.014 1.00 50.54 O ATOM 725 CB LEU A 47 -1.560 21.312 -7.044 1.00 44.35 C ATOM 726 CG LEU A 47 -2.160 19.907 -7.001 1.00 34.13 C ATOM 727 CD1 LEU A 47 -1.088 18.860 -7.257 1.00 61.32 C ATOM 728 CD2 LEU A 47 -2.841 19.659 -5.662 1.00 50.24 C ATOM 0 H LEU A 47 -3.517 21.750 -8.520 1.00 3.12 H new ATOM 0 HA LEU A 47 -2.909 22.417 -5.787 1.00 51.12 H new ATOM 0 HB2 LEU A 47 -1.087 21.454 -8.016 1.00 44.35 H new ATOM 0 HB3 LEU A 47 -0.771 21.371 -6.294 1.00 44.35 H new ATOM 0 HG LEU A 47 -2.910 19.829 -7.788 1.00 34.13 H new ATOM 0 HD11 LEU A 47 -1.534 17.866 -7.222 1.00 61.32 H new ATOM 0 HD12 LEU A 47 -0.645 19.025 -8.239 1.00 61.32 H new ATOM 0 HD13 LEU A 47 -0.314 18.937 -6.493 1.00 61.32 H new ATOM 0 HD21 LEU A 47 -3.263 18.654 -5.649 1.00 50.24 H new ATOM 0 HD22 LEU A 47 -2.111 19.757 -4.859 1.00 50.24 H new ATOM 0 HD23 LEU A 47 -3.638 20.389 -5.518 1.00 50.24 H new ATOM 740 N LYS A 48 -1.014 24.177 -6.007 1.00 33.33 N ATOM 741 CA LYS A 48 -0.267 25.427 -6.061 1.00 41.43 C ATOM 742 C LYS A 48 1.000 25.268 -6.896 1.00 10.22 C ATOM 743 O LYS A 48 1.751 24.309 -6.722 1.00 41.01 O ATOM 744 CB LYS A 48 0.095 25.891 -4.649 1.00 2.24 C ATOM 745 CG LYS A 48 -0.952 26.792 -4.017 1.00 41.11 C ATOM 746 CD LYS A 48 -0.435 27.441 -2.744 1.00 21.31 C ATOM 747 CE LYS A 48 -1.100 26.852 -1.509 1.00 3.21 C ATOM 748 NZ LYS A 48 -2.569 27.095 -1.501 1.00 61.01 N ATOM 0 H LYS A 48 -0.864 23.633 -5.157 1.00 33.33 H new ATOM 0 HA LYS A 48 -0.900 26.179 -6.532 1.00 41.43 H new ATOM 0 HB2 LYS A 48 0.240 25.017 -4.015 1.00 2.24 H new ATOM 0 HB3 LYS A 48 1.046 26.422 -4.683 1.00 2.24 H new ATOM 0 HG2 LYS A 48 -1.245 27.565 -4.728 1.00 41.11 H new ATOM 0 HG3 LYS A 48 -1.846 26.210 -3.793 1.00 41.11 H new ATOM 0 HD2 LYS A 48 0.644 27.305 -2.677 1.00 21.31 H new ATOM 0 HD3 LYS A 48 -0.619 28.515 -2.781 1.00 21.31 H new ATOM 0 HE2 LYS A 48 -0.909 25.780 -1.470 1.00 3.21 H new ATOM 0 HE3 LYS A 48 -0.655 27.287 -0.614 1.00 3.21 H new ATOM 0 HZ1 LYS A 48 -2.816 27.702 -0.694 1.00 61.01 H new ATOM 0 HZ2 LYS A 48 -2.848 27.565 -2.386 1.00 61.01 H new ATOM 0 HZ3 LYS A 48 -3.071 26.188 -1.418 1.00 61.01 H new ATOM 762 N GLN A 49 1.231 26.215 -7.800 1.00 34.22 N ATOM 763 CA GLN A 49 2.407 26.179 -8.660 1.00 25.41 C ATOM 764 C GLN A 49 3.683 26.062 -7.832 1.00 42.43 C ATOM 765 O GLN A 49 4.100 27.017 -7.178 1.00 51.42 O ATOM 766 CB GLN A 49 2.465 27.432 -9.534 1.00 40.42 C ATOM 767 CG GLN A 49 1.684 27.305 -10.832 1.00 51.42 C ATOM 768 CD GLN A 49 2.421 26.496 -11.880 1.00 63.42 C ATOM 769 OE1 GLN A 49 3.549 26.821 -12.253 1.00 30.12 O ATOM 770 NE2 GLN A 49 1.787 25.433 -12.362 1.00 41.12 N ATOM 0 H GLN A 49 0.619 27.016 -7.955 1.00 34.22 H new ATOM 0 HA GLN A 49 2.330 25.301 -9.302 1.00 25.41 H new ATOM 0 HB2 GLN A 49 2.077 28.278 -8.967 1.00 40.42 H new ATOM 0 HB3 GLN A 49 3.506 27.655 -9.767 1.00 40.42 H new ATOM 0 HG2 GLN A 49 0.721 26.837 -10.628 1.00 51.42 H new ATOM 0 HG3 GLN A 49 1.477 28.300 -11.226 1.00 51.42 H new ATOM 0 HE21 GLN A 49 0.853 25.200 -12.025 1.00 41.12 H new ATOM 0 HE22 GLN A 49 2.234 24.850 -13.069 1.00 41.12 H new ATOM 779 N GLY A 50 4.299 24.885 -7.866 1.00 25.44 N ATOM 780 CA GLY A 50 5.521 24.665 -7.114 1.00 3.20 C ATOM 781 C GLY A 50 5.374 23.571 -6.075 1.00 65.03 C ATOM 782 O GLY A 50 6.367 23.016 -5.604 1.00 10.45 O ATOM 0 H GLY A 50 3.974 24.079 -8.401 1.00 25.44 H new ATOM 0 HA2 GLY A 50 6.325 24.403 -7.802 1.00 3.20 H new ATOM 0 HA3 GLY A 50 5.813 25.593 -6.622 1.00 3.20 H new ATOM 786 N SER A 51 4.133 23.260 -5.717 1.00 11.33 N ATOM 787 CA SER A 51 3.860 22.229 -4.723 1.00 33.12 C ATOM 788 C SER A 51 3.691 20.866 -5.387 1.00 34.32 C ATOM 789 O SER A 51 3.539 20.769 -6.605 1.00 41.22 O ATOM 790 CB SER A 51 2.602 22.580 -3.925 1.00 62.21 C ATOM 791 OG SER A 51 2.727 23.849 -3.308 1.00 5.21 O ATOM 0 H SER A 51 3.300 23.707 -6.100 1.00 11.33 H new ATOM 0 HA SER A 51 4.711 22.180 -4.043 1.00 33.12 H new ATOM 0 HB2 SER A 51 1.736 22.578 -4.586 1.00 62.21 H new ATOM 0 HB3 SER A 51 2.425 21.819 -3.165 1.00 62.21 H new ATOM 0 HG SER A 51 1.910 24.051 -2.806 1.00 5.21 H new ATOM 797 N THR A 52 3.718 19.812 -4.576 1.00 53.23 N ATOM 798 CA THR A 52 3.569 18.454 -5.083 1.00 71.13 C ATOM 799 C THR A 52 2.710 17.609 -4.149 1.00 54.53 C ATOM 800 O THR A 52 3.100 17.327 -3.016 1.00 72.13 O ATOM 801 CB THR A 52 4.937 17.769 -5.264 1.00 34.31 C ATOM 802 OG1 THR A 52 5.753 18.533 -6.158 1.00 3.22 O ATOM 803 CG2 THR A 52 4.767 16.357 -5.805 1.00 44.23 C ATOM 0 H THR A 52 3.842 19.874 -3.565 1.00 53.23 H new ATOM 0 HA THR A 52 3.078 18.531 -6.053 1.00 71.13 H new ATOM 0 HB THR A 52 5.422 17.712 -4.290 1.00 34.31 H new ATOM 0 HG1 THR A 52 6.621 18.092 -6.267 1.00 3.22 H new ATOM 0 HG21 THR A 52 5.746 15.893 -5.925 1.00 44.23 H new ATOM 0 HG22 THR A 52 4.170 15.770 -5.108 1.00 44.23 H new ATOM 0 HG23 THR A 52 4.263 16.396 -6.771 1.00 44.23 H new ATOM 811 N PHE A 53 1.538 17.208 -4.632 1.00 1.34 N ATOM 812 CA PHE A 53 0.623 16.396 -3.839 1.00 31.40 C ATOM 813 C PHE A 53 1.085 14.942 -3.796 1.00 32.14 C ATOM 814 O PHE A 53 0.784 14.156 -4.694 1.00 73.10 O ATOM 815 CB PHE A 53 -0.793 16.476 -4.414 1.00 63.31 C ATOM 816 CG PHE A 53 -1.856 16.028 -3.453 1.00 75.21 C ATOM 817 CD1 PHE A 53 -1.926 14.706 -3.043 1.00 10.33 C ATOM 818 CD2 PHE A 53 -2.787 16.928 -2.961 1.00 14.25 C ATOM 819 CE1 PHE A 53 -2.903 14.291 -2.158 1.00 75.31 C ATOM 820 CE2 PHE A 53 -3.767 16.519 -2.075 1.00 63.45 C ATOM 821 CZ PHE A 53 -3.826 15.198 -1.675 1.00 4.13 C ATOM 0 H PHE A 53 1.200 17.432 -5.568 1.00 1.34 H new ATOM 0 HA PHE A 53 0.617 16.788 -2.822 1.00 31.40 H new ATOM 0 HB2 PHE A 53 -0.997 17.503 -4.715 1.00 63.31 H new ATOM 0 HB3 PHE A 53 -0.846 15.863 -5.314 1.00 63.31 H new ATOM 0 HD1 PHE A 53 -1.209 13.992 -3.419 1.00 10.33 H new ATOM 0 HD2 PHE A 53 -2.747 17.961 -3.273 1.00 14.25 H new ATOM 0 HE1 PHE A 53 -2.945 13.258 -1.844 1.00 75.31 H new ATOM 0 HE2 PHE A 53 -4.485 17.231 -1.696 1.00 63.45 H new ATOM 0 HZ PHE A 53 -4.592 14.875 -0.986 1.00 4.13 H new ATOM 831 N VAL A 54 1.819 14.592 -2.744 1.00 71.43 N ATOM 832 CA VAL A 54 2.323 13.233 -2.582 1.00 53.01 C ATOM 833 C VAL A 54 1.547 12.484 -1.505 1.00 13.03 C ATOM 834 O VAL A 54 1.160 13.062 -0.488 1.00 32.52 O ATOM 835 CB VAL A 54 3.819 13.229 -2.218 1.00 3.12 C ATOM 836 CG1 VAL A 54 4.298 11.812 -1.943 1.00 24.11 C ATOM 837 CG2 VAL A 54 4.639 13.872 -3.327 1.00 13.15 C ATOM 0 H VAL A 54 2.078 15.230 -1.992 1.00 71.43 H new ATOM 0 HA VAL A 54 2.188 12.729 -3.539 1.00 53.01 H new ATOM 0 HB VAL A 54 3.955 13.816 -1.310 1.00 3.12 H new ATOM 0 HG11 VAL A 54 5.357 11.829 -1.687 1.00 24.11 H new ATOM 0 HG12 VAL A 54 3.731 11.391 -1.113 1.00 24.11 H new ATOM 0 HG13 VAL A 54 4.149 11.199 -2.832 1.00 24.11 H new ATOM 0 HG21 VAL A 54 5.694 13.861 -3.053 1.00 13.15 H new ATOM 0 HG22 VAL A 54 4.499 13.315 -4.253 1.00 13.15 H new ATOM 0 HG23 VAL A 54 4.313 14.902 -3.470 1.00 13.15 H new ATOM 847 N LEU A 55 1.322 11.195 -1.733 1.00 63.24 N ATOM 848 CA LEU A 55 0.592 10.365 -0.782 1.00 22.45 C ATOM 849 C LEU A 55 1.482 9.254 -0.234 1.00 21.54 C ATOM 850 O LEU A 55 1.749 8.265 -0.916 1.00 1.40 O ATOM 851 CB LEU A 55 -0.646 9.761 -1.446 1.00 71.23 C ATOM 852 CG LEU A 55 -1.819 10.715 -1.673 1.00 42.42 C ATOM 853 CD1 LEU A 55 -2.914 10.034 -2.479 1.00 21.32 C ATOM 854 CD2 LEU A 55 -2.365 11.215 -0.344 1.00 2.14 C ATOM 0 H LEU A 55 1.635 10.702 -2.569 1.00 63.24 H new ATOM 0 HA LEU A 55 0.279 10.998 0.048 1.00 22.45 H new ATOM 0 HB2 LEU A 55 -0.350 9.345 -2.409 1.00 71.23 H new ATOM 0 HB3 LEU A 55 -0.993 8.930 -0.833 1.00 71.23 H new ATOM 0 HG LEU A 55 -1.459 11.573 -2.241 1.00 42.42 H new ATOM 0 HD11 LEU A 55 -3.740 10.729 -2.630 1.00 21.32 H new ATOM 0 HD12 LEU A 55 -2.516 9.727 -3.446 1.00 21.32 H new ATOM 0 HD13 LEU A 55 -3.272 9.157 -1.939 1.00 21.32 H new ATOM 0 HD21 LEU A 55 -3.199 11.893 -0.525 1.00 2.14 H new ATOM 0 HD22 LEU A 55 -2.708 10.368 0.250 1.00 2.14 H new ATOM 0 HD23 LEU A 55 -1.579 11.743 0.197 1.00 2.14 H new ATOM 866 N ASN A 56 1.936 9.422 1.004 1.00 3.41 N ATOM 867 CA ASN A 56 2.795 8.433 1.645 1.00 72.32 C ATOM 868 C ASN A 56 2.014 7.162 1.966 1.00 1.04 C ATOM 869 O ASN A 56 2.587 6.078 2.068 1.00 72.13 O ATOM 870 CB ASN A 56 3.404 9.008 2.925 1.00 43.02 C ATOM 871 CG ASN A 56 4.282 10.215 2.655 1.00 23.25 C ATOM 872 OD1 ASN A 56 3.869 11.356 2.862 1.00 31.23 O ATOM 873 ND2 ASN A 56 5.502 9.967 2.191 1.00 14.21 N ATOM 0 H ASN A 56 1.723 10.234 1.583 1.00 3.41 H new ATOM 0 HA ASN A 56 3.597 8.181 0.951 1.00 72.32 H new ATOM 0 HB2 ASN A 56 2.604 9.290 3.610 1.00 43.02 H new ATOM 0 HB3 ASN A 56 3.993 8.237 3.422 1.00 43.02 H new ATOM 0 HD21 ASN A 56 6.138 10.739 1.992 1.00 14.21 H new ATOM 0 HD22 ASN A 56 5.802 9.005 2.034 1.00 14.21 H new ATOM 880 N GLY A 57 0.702 7.304 2.125 1.00 14.45 N ATOM 881 CA GLY A 57 -0.137 6.161 2.433 1.00 23.54 C ATOM 882 C GLY A 57 -0.975 5.720 1.249 1.00 5.33 C ATOM 883 O GLY A 57 -1.583 4.652 1.274 1.00 73.52 O ATOM 0 H GLY A 57 0.205 8.191 2.046 1.00 14.45 H new ATOM 0 HA2 GLY A 57 0.490 5.331 2.759 1.00 23.54 H new ATOM 0 HA3 GLY A 57 -0.794 6.411 3.266 1.00 23.54 H new ATOM 887 N GLY A 58 -1.007 6.548 0.209 1.00 34.20 N ATOM 888 CA GLY A 58 -1.781 6.221 -0.974 1.00 54.33 C ATOM 889 C GLY A 58 -3.175 6.816 -0.938 1.00 32.03 C ATOM 890 O GLY A 58 -3.427 7.780 -0.214 1.00 70.10 O ATOM 0 H GLY A 58 -0.511 7.438 0.165 1.00 34.20 H new ATOM 0 HA2 GLY A 58 -1.257 6.584 -1.859 1.00 54.33 H new ATOM 0 HA3 GLY A 58 -1.854 5.138 -1.069 1.00 54.33 H new ATOM 894 N ILE A 59 -4.082 6.242 -1.721 1.00 14.02 N ATOM 895 CA ILE A 59 -5.458 6.722 -1.775 1.00 45.20 C ATOM 896 C ILE A 59 -6.260 6.229 -0.576 1.00 22.32 C ATOM 897 O ILE A 59 -7.267 6.829 -0.202 1.00 21.53 O ATOM 898 CB ILE A 59 -6.161 6.272 -3.069 1.00 65.32 C ATOM 899 CG1 ILE A 59 -5.336 6.680 -4.292 1.00 15.42 C ATOM 900 CG2 ILE A 59 -7.560 6.863 -3.145 1.00 51.21 C ATOM 901 CD1 ILE A 59 -5.208 8.178 -4.461 1.00 2.04 C ATOM 0 H ILE A 59 -3.889 5.444 -2.327 1.00 14.02 H new ATOM 0 HA ILE A 59 -5.413 7.811 -1.756 1.00 45.20 H new ATOM 0 HB ILE A 59 -6.248 5.185 -3.059 1.00 65.32 H new ATOM 0 HG12 ILE A 59 -4.340 6.245 -4.210 1.00 15.42 H new ATOM 0 HG13 ILE A 59 -5.795 6.259 -5.187 1.00 15.42 H new ATOM 0 HG21 ILE A 59 -8.044 6.536 -4.065 1.00 51.21 H new ATOM 0 HG22 ILE A 59 -8.144 6.527 -2.288 1.00 51.21 H new ATOM 0 HG23 ILE A 59 -7.496 7.951 -3.136 1.00 51.21 H new ATOM 0 HD11 ILE A 59 -4.611 8.395 -5.347 1.00 2.04 H new ATOM 0 HD12 ILE A 59 -6.199 8.617 -4.575 1.00 2.04 H new ATOM 0 HD13 ILE A 59 -4.721 8.603 -3.583 1.00 2.04 H new ATOM 913 N GLU A 60 -5.805 5.133 0.023 1.00 24.25 N ATOM 914 CA GLU A 60 -6.480 4.560 1.182 1.00 72.33 C ATOM 915 C GLU A 60 -6.505 5.550 2.342 1.00 11.13 C ATOM 916 O GLU A 60 -7.535 5.739 2.988 1.00 74.12 O ATOM 917 CB GLU A 60 -5.788 3.266 1.616 1.00 45.15 C ATOM 918 CG GLU A 60 -5.485 2.322 0.464 1.00 33.22 C ATOM 919 CD GLU A 60 -4.029 2.362 0.043 1.00 10.43 C ATOM 920 OE1 GLU A 60 -3.642 3.315 -0.666 1.00 30.44 O ATOM 921 OE2 GLU A 60 -3.276 1.441 0.424 1.00 54.13 O ATOM 0 H GLU A 60 -4.972 4.624 -0.275 1.00 24.25 H new ATOM 0 HA GLU A 60 -7.508 4.335 0.897 1.00 72.33 H new ATOM 0 HB2 GLU A 60 -4.857 3.515 2.125 1.00 45.15 H new ATOM 0 HB3 GLU A 60 -6.420 2.751 2.340 1.00 45.15 H new ATOM 0 HG2 GLU A 60 -5.747 1.305 0.755 1.00 33.22 H new ATOM 0 HG3 GLU A 60 -6.113 2.582 -0.388 1.00 33.22 H new ATOM 928 N GLU A 61 -5.363 6.179 2.601 1.00 64.13 N ATOM 929 CA GLU A 61 -5.253 7.149 3.684 1.00 33.41 C ATOM 930 C GLU A 61 -6.169 8.344 3.439 1.00 53.23 C ATOM 931 O GLU A 61 -6.697 8.940 4.379 1.00 44.31 O ATOM 932 CB GLU A 61 -3.806 7.623 3.830 1.00 62.31 C ATOM 933 CG GLU A 61 -3.388 8.636 2.778 1.00 54.33 C ATOM 934 CD GLU A 61 -3.615 10.068 3.224 1.00 23.42 C ATOM 935 OE1 GLU A 61 -3.415 10.353 4.424 1.00 64.14 O ATOM 936 OE2 GLU A 61 -3.992 10.902 2.375 1.00 21.13 O ATOM 0 H GLU A 61 -4.501 6.034 2.076 1.00 64.13 H new ATOM 0 HA GLU A 61 -5.562 6.660 4.608 1.00 33.41 H new ATOM 0 HB2 GLU A 61 -3.675 8.063 4.818 1.00 62.31 H new ATOM 0 HB3 GLU A 61 -3.143 6.760 3.775 1.00 62.31 H new ATOM 0 HG2 GLU A 61 -2.333 8.496 2.543 1.00 54.33 H new ATOM 0 HG3 GLU A 61 -3.946 8.452 1.860 1.00 54.33 H new ATOM 943 N LEU A 62 -6.354 8.690 2.169 1.00 23.34 N ATOM 944 CA LEU A 62 -7.205 9.815 1.799 1.00 75.44 C ATOM 945 C LEU A 62 -8.676 9.486 2.038 1.00 43.23 C ATOM 946 O LEU A 62 -9.457 10.348 2.440 1.00 50.51 O ATOM 947 CB LEU A 62 -6.986 10.184 0.330 1.00 22.25 C ATOM 948 CG LEU A 62 -7.307 11.629 -0.053 1.00 70.35 C ATOM 949 CD1 LEU A 62 -6.348 12.589 0.633 1.00 52.12 C ATOM 950 CD2 LEU A 62 -7.251 11.804 -1.564 1.00 44.20 C ATOM 0 H LEU A 62 -5.926 8.207 1.379 1.00 23.34 H new ATOM 0 HA LEU A 62 -6.935 10.665 2.425 1.00 75.44 H new ATOM 0 HB2 LEU A 62 -5.945 9.985 0.077 1.00 22.25 H new ATOM 0 HB3 LEU A 62 -7.595 9.522 -0.285 1.00 22.25 H new ATOM 0 HG LEU A 62 -8.318 11.858 0.282 1.00 70.35 H new ATOM 0 HD11 LEU A 62 -6.592 13.612 0.348 1.00 52.12 H new ATOM 0 HD12 LEU A 62 -6.437 12.482 1.714 1.00 52.12 H new ATOM 0 HD13 LEU A 62 -5.326 12.362 0.329 1.00 52.12 H new ATOM 0 HD21 LEU A 62 -7.482 12.838 -1.819 1.00 44.20 H new ATOM 0 HD22 LEU A 62 -6.252 11.556 -1.922 1.00 44.20 H new ATOM 0 HD23 LEU A 62 -7.979 11.143 -2.034 1.00 44.20 H new ATOM 962 N ARG A 63 -9.045 8.234 1.790 1.00 60.15 N ATOM 963 CA ARG A 63 -10.421 7.791 1.979 1.00 52.42 C ATOM 964 C ARG A 63 -10.816 7.858 3.451 1.00 20.13 C ATOM 965 O ARG A 63 -11.968 8.139 3.784 1.00 0.42 O ATOM 966 CB ARG A 63 -10.597 6.364 1.457 1.00 41.34 C ATOM 967 CG ARG A 63 -10.599 6.267 -0.060 1.00 63.22 C ATOM 968 CD ARG A 63 -10.158 4.889 -0.530 1.00 51.34 C ATOM 969 NE ARG A 63 -10.098 4.802 -1.987 1.00 21.51 N ATOM 970 CZ ARG A 63 -9.502 3.810 -2.639 1.00 63.23 C ATOM 971 NH1 ARG A 63 -8.918 2.827 -1.968 1.00 71.40 N ATOM 972 NH2 ARG A 63 -9.489 3.800 -3.966 1.00 41.12 N ATOM 0 H ARG A 63 -8.410 7.508 1.458 1.00 60.15 H new ATOM 0 HA ARG A 63 -11.072 8.459 1.415 1.00 52.42 H new ATOM 0 HB2 ARG A 63 -9.795 5.740 1.852 1.00 41.34 H new ATOM 0 HB3 ARG A 63 -11.534 5.959 1.840 1.00 41.34 H new ATOM 0 HG2 ARG A 63 -11.599 6.479 -0.438 1.00 63.22 H new ATOM 0 HG3 ARG A 63 -9.934 7.024 -0.475 1.00 63.22 H new ATOM 0 HD2 ARG A 63 -9.178 4.660 -0.112 1.00 51.34 H new ATOM 0 HD3 ARG A 63 -10.850 4.137 -0.150 1.00 51.34 H new ATOM 0 HE ARG A 63 -10.537 5.543 -2.533 1.00 21.51 H new ATOM 0 HH11 ARG A 63 -8.926 2.831 -0.948 1.00 71.40 H new ATOM 0 HH12 ARG A 63 -8.461 2.067 -2.472 1.00 71.40 H new ATOM 0 HH21 ARG A 63 -9.937 4.555 -4.486 1.00 41.12 H new ATOM 0 HH22 ARG A 63 -9.031 3.038 -4.466 1.00 41.12 H new ATOM 986 N LEU A 64 -9.853 7.597 4.329 1.00 74.43 N ATOM 987 CA LEU A 64 -10.100 7.626 5.766 1.00 0.13 C ATOM 988 C LEU A 64 -10.455 9.035 6.229 1.00 1.51 C ATOM 989 O LEU A 64 -11.257 9.216 7.146 1.00 31.22 O ATOM 990 CB LEU A 64 -8.871 7.122 6.525 1.00 41.31 C ATOM 991 CG LEU A 64 -8.659 5.608 6.530 1.00 71.15 C ATOM 992 CD1 LEU A 64 -7.348 5.254 7.214 1.00 11.44 C ATOM 993 CD2 LEU A 64 -9.825 4.908 7.212 1.00 13.44 C ATOM 0 H LEU A 64 -8.894 7.363 4.071 1.00 74.43 H new ATOM 0 HA LEU A 64 -10.944 6.970 5.978 1.00 0.13 H new ATOM 0 HB2 LEU A 64 -7.986 7.591 6.095 1.00 41.31 H new ATOM 0 HB3 LEU A 64 -8.942 7.462 7.558 1.00 41.31 H new ATOM 0 HG LEU A 64 -8.610 5.265 5.497 1.00 71.15 H new ATOM 0 HD11 LEU A 64 -7.215 4.172 7.208 1.00 11.44 H new ATOM 0 HD12 LEU A 64 -6.521 5.724 6.682 1.00 11.44 H new ATOM 0 HD13 LEU A 64 -7.367 5.611 8.244 1.00 11.44 H new ATOM 0 HD21 LEU A 64 -9.657 3.831 7.206 1.00 13.44 H new ATOM 0 HD22 LEU A 64 -9.907 5.257 8.241 1.00 13.44 H new ATOM 0 HD23 LEU A 64 -10.748 5.134 6.678 1.00 13.44 H new ATOM 1005 N LEU A 65 -9.854 10.032 5.588 1.00 74.23 N ATOM 1006 CA LEU A 65 -10.109 11.427 5.932 1.00 64.43 C ATOM 1007 C LEU A 65 -11.592 11.758 5.801 1.00 43.14 C ATOM 1008 O LEU A 65 -12.262 12.059 6.789 1.00 41.51 O ATOM 1009 CB LEU A 65 -9.286 12.352 5.033 1.00 31.04 C ATOM 1010 CG LEU A 65 -8.033 12.960 5.664 1.00 23.31 C ATOM 1011 CD1 LEU A 65 -7.144 13.579 4.596 1.00 32.53 C ATOM 1012 CD2 LEU A 65 -8.412 13.996 6.712 1.00 41.44 C ATOM 0 H LEU A 65 -9.187 9.900 4.828 1.00 74.23 H new ATOM 0 HA LEU A 65 -9.813 11.580 6.970 1.00 64.43 H new ATOM 0 HB2 LEU A 65 -8.987 11.793 4.146 1.00 31.04 H new ATOM 0 HB3 LEU A 65 -9.929 13.165 4.695 1.00 31.04 H new ATOM 0 HG LEU A 65 -7.474 12.164 6.156 1.00 23.31 H new ATOM 0 HD11 LEU A 65 -6.257 14.007 5.064 1.00 32.53 H new ATOM 0 HD12 LEU A 65 -6.844 12.811 3.883 1.00 32.53 H new ATOM 0 HD13 LEU A 65 -7.693 14.363 4.075 1.00 32.53 H new ATOM 0 HD21 LEU A 65 -7.508 14.418 7.150 1.00 41.44 H new ATOM 0 HD22 LEU A 65 -8.993 14.791 6.244 1.00 41.44 H new ATOM 0 HD23 LEU A 65 -9.007 13.523 7.493 1.00 41.44 H new ATOM 1024 N THR A 66 -12.100 11.699 4.574 1.00 71.44 N ATOM 1025 CA THR A 66 -13.504 11.991 4.313 1.00 42.21 C ATOM 1026 C THR A 66 -14.407 10.905 4.886 1.00 54.44 C ATOM 1027 O THR A 66 -15.575 11.150 5.184 1.00 35.04 O ATOM 1028 CB THR A 66 -13.778 12.128 2.803 1.00 11.13 C ATOM 1029 OG1 THR A 66 -15.101 12.633 2.590 1.00 70.44 O ATOM 1030 CG2 THR A 66 -13.621 10.788 2.101 1.00 34.32 C ATOM 0 H THR A 66 -11.560 11.452 3.745 1.00 71.44 H new ATOM 0 HA THR A 66 -13.726 12.939 4.802 1.00 42.21 H new ATOM 0 HB THR A 66 -13.052 12.825 2.385 1.00 11.13 H new ATOM 0 HG1 THR A 66 -15.267 12.719 1.628 1.00 70.44 H new ATOM 0 HG21 THR A 66 -13.819 10.910 1.036 1.00 34.32 H new ATOM 0 HG22 THR A 66 -12.604 10.421 2.241 1.00 34.32 H new ATOM 0 HG23 THR A 66 -14.327 10.072 2.522 1.00 34.32 H new ATOM 1038 N GLY A 67 -13.858 9.704 5.037 1.00 34.22 N ATOM 1039 CA GLY A 67 -14.630 8.598 5.575 1.00 42.34 C ATOM 1040 C GLY A 67 -15.348 7.813 4.495 1.00 50.41 C ATOM 1041 O GLY A 67 -16.356 7.159 4.761 1.00 72.34 O ATOM 0 H GLY A 67 -12.893 9.477 4.797 1.00 34.22 H new ATOM 0 HA2 GLY A 67 -13.967 7.930 6.126 1.00 42.34 H new ATOM 0 HA3 GLY A 67 -15.360 8.981 6.288 1.00 42.34 H new ATOM 1045 N ASP A 68 -14.830 7.880 3.274 1.00 63.13 N ATOM 1046 CA ASP A 68 -15.429 7.170 2.149 1.00 4.22 C ATOM 1047 C ASP A 68 -14.361 6.453 1.328 1.00 11.34 C ATOM 1048 O ASP A 68 -13.375 7.060 0.909 1.00 74.52 O ATOM 1049 CB ASP A 68 -16.206 8.143 1.260 1.00 25.43 C ATOM 1050 CG ASP A 68 -17.481 7.533 0.712 1.00 64.13 C ATOM 1051 OD1 ASP A 68 -18.486 7.496 1.451 1.00 21.33 O ATOM 1052 OD2 ASP A 68 -17.473 7.092 -0.457 1.00 1.11 O ATOM 0 H ASP A 68 -13.997 8.419 3.037 1.00 63.13 H new ATOM 0 HA ASP A 68 -16.117 6.424 2.547 1.00 4.22 H new ATOM 0 HB2 ASP A 68 -16.451 9.037 1.833 1.00 25.43 H new ATOM 0 HB3 ASP A 68 -15.572 8.459 0.431 1.00 25.43 H new ATOM 1057 N SER A 69 -14.564 5.159 1.104 1.00 33.02 N ATOM 1058 CA SER A 69 -13.617 4.358 0.338 1.00 61.01 C ATOM 1059 C SER A 69 -13.744 4.646 -1.155 1.00 14.32 C ATOM 1060 O SER A 69 -12.819 4.398 -1.929 1.00 53.50 O ATOM 1061 CB SER A 69 -13.845 2.868 0.602 1.00 3.55 C ATOM 1062 OG SER A 69 -13.664 2.561 1.974 1.00 64.52 O ATOM 0 H SER A 69 -15.376 4.643 1.442 1.00 33.02 H new ATOM 0 HA SER A 69 -12.610 4.627 0.658 1.00 61.01 H new ATOM 0 HB2 SER A 69 -14.853 2.591 0.294 1.00 3.55 H new ATOM 0 HB3 SER A 69 -13.154 2.278 -0.000 1.00 3.55 H new ATOM 0 HG SER A 69 -13.817 1.604 2.118 1.00 64.52 H new ATOM 1068 N THR A 70 -14.899 5.172 -1.553 1.00 43.22 N ATOM 1069 CA THR A 70 -15.150 5.494 -2.952 1.00 63.23 C ATOM 1070 C THR A 70 -14.222 6.602 -3.437 1.00 11.33 C ATOM 1071 O THR A 70 -13.964 6.731 -4.634 1.00 62.22 O ATOM 1072 CB THR A 70 -16.611 5.928 -3.176 1.00 5.24 C ATOM 1073 OG1 THR A 70 -17.474 5.223 -2.277 1.00 11.43 O ATOM 1074 CG2 THR A 70 -17.040 5.665 -4.611 1.00 31.31 C ATOM 0 H THR A 70 -15.675 5.384 -0.926 1.00 43.22 H new ATOM 0 HA THR A 70 -14.957 4.586 -3.524 1.00 63.23 H new ATOM 0 HB THR A 70 -16.683 6.998 -2.983 1.00 5.24 H new ATOM 0 HG1 THR A 70 -17.609 5.757 -1.467 1.00 11.43 H new ATOM 0 HG21 THR A 70 -18.075 5.980 -4.745 1.00 31.31 H new ATOM 0 HG22 THR A 70 -16.399 6.226 -5.291 1.00 31.31 H new ATOM 0 HG23 THR A 70 -16.954 4.600 -4.827 1.00 31.31 H new ATOM 1082 N LEU A 71 -13.723 7.401 -2.500 1.00 21.12 N ATOM 1083 CA LEU A 71 -12.822 8.499 -2.831 1.00 50.44 C ATOM 1084 C LEU A 71 -11.660 8.010 -3.690 1.00 1.41 C ATOM 1085 O LEU A 71 -10.841 7.207 -3.243 1.00 55.44 O ATOM 1086 CB LEU A 71 -12.289 9.151 -1.554 1.00 62.13 C ATOM 1087 CG LEU A 71 -11.400 10.380 -1.748 1.00 64.35 C ATOM 1088 CD1 LEU A 71 -11.703 11.431 -0.692 1.00 31.40 C ATOM 1089 CD2 LEU A 71 -9.930 9.987 -1.706 1.00 31.32 C ATOM 0 H LEU A 71 -13.927 7.309 -1.505 1.00 21.12 H new ATOM 0 HA LEU A 71 -13.385 9.239 -3.401 1.00 50.44 H new ATOM 0 HB2 LEU A 71 -13.139 9.436 -0.934 1.00 62.13 H new ATOM 0 HB3 LEU A 71 -11.724 8.403 -0.997 1.00 62.13 H new ATOM 0 HG LEU A 71 -11.614 10.808 -2.728 1.00 64.35 H new ATOM 0 HD11 LEU A 71 -11.061 12.298 -0.847 1.00 31.40 H new ATOM 0 HD12 LEU A 71 -12.747 11.735 -0.770 1.00 31.40 H new ATOM 0 HD13 LEU A 71 -11.519 11.015 0.299 1.00 31.40 H new ATOM 0 HD21 LEU A 71 -9.312 10.874 -1.846 1.00 31.32 H new ATOM 0 HD22 LEU A 71 -9.702 9.534 -0.741 1.00 31.32 H new ATOM 0 HD23 LEU A 71 -9.722 9.271 -2.501 1.00 31.32 H new ATOM 1101 N GLU A 72 -11.594 8.502 -4.923 1.00 41.32 N ATOM 1102 CA GLU A 72 -10.531 8.116 -5.843 1.00 64.31 C ATOM 1103 C GLU A 72 -9.880 9.345 -6.470 1.00 5.43 C ATOM 1104 O GLU A 72 -10.445 10.439 -6.447 1.00 42.13 O ATOM 1105 CB GLU A 72 -11.082 7.202 -6.940 1.00 2.21 C ATOM 1106 CG GLU A 72 -11.757 5.950 -6.407 1.00 33.04 C ATOM 1107 CD GLU A 72 -11.322 4.695 -7.138 1.00 43.44 C ATOM 1108 OE1 GLU A 72 -11.944 4.365 -8.170 1.00 23.12 O ATOM 1109 OE2 GLU A 72 -10.360 4.044 -6.680 1.00 42.33 O ATOM 0 H GLU A 72 -12.264 9.168 -5.308 1.00 41.32 H new ATOM 0 HA GLU A 72 -9.774 7.575 -5.275 1.00 64.31 H new ATOM 0 HB2 GLU A 72 -11.797 7.762 -7.542 1.00 2.21 H new ATOM 0 HB3 GLU A 72 -10.267 6.911 -7.602 1.00 2.21 H new ATOM 0 HG2 GLU A 72 -11.531 5.844 -5.346 1.00 33.04 H new ATOM 0 HG3 GLU A 72 -12.838 6.060 -6.494 1.00 33.04 H new ATOM 1116 N ILE A 73 -8.688 9.157 -7.027 1.00 52.33 N ATOM 1117 CA ILE A 73 -7.961 10.250 -7.660 1.00 45.22 C ATOM 1118 C ILE A 73 -7.553 9.887 -9.084 1.00 5.10 C ATOM 1119 O ILE A 73 -7.028 8.802 -9.331 1.00 61.25 O ATOM 1120 CB ILE A 73 -6.701 10.627 -6.858 1.00 13.43 C ATOM 1121 CG1 ILE A 73 -7.073 10.963 -5.412 1.00 22.31 C ATOM 1122 CG2 ILE A 73 -5.987 11.800 -7.513 1.00 15.53 C ATOM 1123 CD1 ILE A 73 -5.884 11.335 -4.553 1.00 72.43 C ATOM 0 H ILE A 73 -8.206 8.259 -7.053 1.00 52.33 H new ATOM 0 HA ILE A 73 -8.636 11.105 -7.685 1.00 45.22 H new ATOM 0 HB ILE A 73 -6.024 9.773 -6.851 1.00 13.43 H new ATOM 0 HG12 ILE A 73 -7.784 11.789 -5.411 1.00 22.31 H new ATOM 0 HG13 ILE A 73 -7.579 10.106 -4.967 1.00 22.31 H new ATOM 0 HG21 ILE A 73 -5.099 12.054 -6.935 1.00 15.53 H new ATOM 0 HG22 ILE A 73 -5.694 11.527 -8.527 1.00 15.53 H new ATOM 0 HG23 ILE A 73 -6.656 12.660 -7.548 1.00 15.53 H new ATOM 0 HD11 ILE A 73 -6.222 11.561 -3.542 1.00 72.43 H new ATOM 0 HD12 ILE A 73 -5.182 10.502 -4.524 1.00 72.43 H new ATOM 0 HD13 ILE A 73 -5.391 12.211 -4.974 1.00 72.43 H new ATOM 1135 N GLN A 74 -7.796 10.804 -10.015 1.00 61.44 N ATOM 1136 CA GLN A 74 -7.452 10.580 -11.415 1.00 35.23 C ATOM 1137 C GLN A 74 -6.716 11.783 -11.994 1.00 13.53 C ATOM 1138 O GLN A 74 -6.875 12.917 -11.539 1.00 74.34 O ATOM 1139 CB GLN A 74 -8.714 10.297 -12.232 1.00 61.23 C ATOM 1140 CG GLN A 74 -9.669 9.324 -11.560 1.00 70.21 C ATOM 1141 CD GLN A 74 -10.461 8.501 -12.557 1.00 13.01 C ATOM 1142 OE1 GLN A 74 -11.402 8.996 -13.179 1.00 63.52 O ATOM 1143 NE2 GLN A 74 -10.084 7.237 -12.714 1.00 55.42 N ATOM 0 H GLN A 74 -8.229 11.708 -9.826 1.00 61.44 H new ATOM 0 HA GLN A 74 -6.792 9.714 -11.467 1.00 35.23 H new ATOM 0 HB2 GLN A 74 -9.236 11.236 -12.416 1.00 61.23 H new ATOM 0 HB3 GLN A 74 -8.425 9.897 -13.204 1.00 61.23 H new ATOM 0 HG2 GLN A 74 -9.103 8.656 -10.911 1.00 70.21 H new ATOM 0 HG3 GLN A 74 -10.358 9.879 -10.923 1.00 70.21 H new ATOM 0 HE21 GLN A 74 -9.298 6.869 -12.178 1.00 55.42 H new ATOM 0 HE22 GLN A 74 -10.580 6.635 -13.371 1.00 55.42 H new ATOM 1152 N PRO A 75 -5.890 11.535 -13.021 1.00 33.42 N ATOM 1153 CA PRO A 75 -5.113 12.586 -13.684 1.00 71.32 C ATOM 1154 C PRO A 75 -5.992 13.533 -14.493 1.00 40.42 C ATOM 1155 O PRO A 75 -6.564 13.147 -15.512 1.00 33.43 O ATOM 1156 CB PRO A 75 -4.177 11.804 -14.609 1.00 43.11 C ATOM 1157 CG PRO A 75 -4.886 10.520 -14.870 1.00 13.52 C ATOM 1158 CD PRO A 75 -5.652 10.208 -13.614 1.00 1.01 C ATOM 0 HA PRO A 75 -4.593 13.223 -12.968 1.00 71.32 H new ATOM 0 HB2 PRO A 75 -3.990 12.348 -15.535 1.00 43.11 H new ATOM 0 HB3 PRO A 75 -3.209 11.633 -14.139 1.00 43.11 H new ATOM 0 HG2 PRO A 75 -5.557 10.611 -15.724 1.00 13.52 H new ATOM 0 HG3 PRO A 75 -4.179 9.724 -15.104 1.00 13.52 H new ATOM 0 HD2 PRO A 75 -6.587 9.691 -13.831 1.00 1.01 H new ATOM 0 HD3 PRO A 75 -5.081 9.565 -12.944 1.00 1.01 H new ATOM 1166 N MET A 76 -6.094 14.776 -14.033 1.00 50.13 N ATOM 1167 CA MET A 76 -6.902 15.779 -14.716 1.00 54.44 C ATOM 1168 C MET A 76 -6.315 16.111 -16.085 1.00 35.13 C ATOM 1169 O MET A 76 -5.164 16.535 -16.190 1.00 71.31 O ATOM 1170 CB MET A 76 -7.000 17.049 -13.869 1.00 54.52 C ATOM 1171 CG MET A 76 -8.029 18.044 -14.382 1.00 35.03 C ATOM 1172 SD MET A 76 -7.337 19.210 -15.569 1.00 43.43 S ATOM 1173 CE MET A 76 -8.083 20.741 -15.015 1.00 52.42 C ATOM 0 H MET A 76 -5.627 15.112 -13.191 1.00 50.13 H new ATOM 0 HA MET A 76 -7.901 15.368 -14.859 1.00 54.44 H new ATOM 0 HB2 MET A 76 -7.252 16.774 -12.845 1.00 54.52 H new ATOM 0 HB3 MET A 76 -6.023 17.532 -13.839 1.00 54.52 H new ATOM 0 HG2 MET A 76 -8.851 17.502 -14.849 1.00 35.03 H new ATOM 0 HG3 MET A 76 -8.447 18.595 -13.540 1.00 35.03 H new ATOM 0 HE1 MET A 76 -7.750 21.560 -15.653 1.00 52.42 H new ATOM 0 HE2 MET A 76 -9.168 20.657 -15.069 1.00 52.42 H new ATOM 0 HE3 MET A 76 -7.785 20.939 -13.985 1.00 52.42 H new ATOM 1183 N ILE A 77 -7.113 15.915 -17.129 1.00 14.10 N ATOM 1184 CA ILE A 77 -6.672 16.194 -18.490 1.00 11.42 C ATOM 1185 C ILE A 77 -6.963 17.641 -18.876 1.00 65.30 C ATOM 1186 O ILE A 77 -8.076 18.133 -18.691 1.00 22.43 O ATOM 1187 CB ILE A 77 -7.352 15.257 -19.506 1.00 2.24 C ATOM 1188 CG1 ILE A 77 -7.247 13.803 -19.041 1.00 2.34 C ATOM 1189 CG2 ILE A 77 -6.726 15.425 -20.882 1.00 53.32 C ATOM 1190 CD1 ILE A 77 -7.910 12.819 -19.979 1.00 11.52 C ATOM 0 H ILE A 77 -8.068 15.564 -17.058 1.00 14.10 H new ATOM 0 HA ILE A 77 -5.596 16.023 -18.514 1.00 11.42 H new ATOM 0 HB ILE A 77 -8.407 15.522 -19.573 1.00 2.24 H new ATOM 0 HG12 ILE A 77 -6.195 13.539 -18.935 1.00 2.34 H new ATOM 0 HG13 ILE A 77 -7.699 13.712 -18.053 1.00 2.34 H new ATOM 0 HG21 ILE A 77 -7.217 14.756 -21.589 1.00 53.32 H new ATOM 0 HG22 ILE A 77 -6.847 16.456 -21.213 1.00 53.32 H new ATOM 0 HG23 ILE A 77 -5.664 15.183 -20.831 1.00 53.32 H new ATOM 0 HD11 ILE A 77 -7.796 11.809 -19.586 1.00 11.52 H new ATOM 0 HD12 ILE A 77 -8.970 13.057 -20.066 1.00 11.52 H new ATOM 0 HD13 ILE A 77 -7.442 12.881 -20.962 1.00 11.52 H new ATOM 1202 N VAL A 78 -5.954 18.317 -19.416 1.00 2.40 N ATOM 1203 CA VAL A 78 -6.101 19.707 -19.832 1.00 10.13 C ATOM 1204 C VAL A 78 -6.823 19.806 -21.171 1.00 2.51 C ATOM 1205 O VAL A 78 -6.511 19.095 -22.126 1.00 54.34 O ATOM 1206 CB VAL A 78 -4.734 20.407 -19.945 1.00 3.02 C ATOM 1207 CG1 VAL A 78 -3.836 19.670 -20.927 1.00 52.45 C ATOM 1208 CG2 VAL A 78 -4.912 21.860 -20.359 1.00 20.13 C ATOM 0 H VAL A 78 -5.026 17.925 -19.576 1.00 2.40 H new ATOM 0 HA VAL A 78 -6.693 20.206 -19.065 1.00 10.13 H new ATOM 0 HB VAL A 78 -4.254 20.388 -18.967 1.00 3.02 H new ATOM 0 HG11 VAL A 78 -2.875 20.179 -20.994 1.00 52.45 H new ATOM 0 HG12 VAL A 78 -3.682 18.647 -20.582 1.00 52.45 H new ATOM 0 HG13 VAL A 78 -4.307 19.654 -21.910 1.00 52.45 H new ATOM 0 HG21 VAL A 78 -3.936 22.339 -20.434 1.00 20.13 H new ATOM 0 HG22 VAL A 78 -5.413 21.904 -21.326 1.00 20.13 H new ATOM 0 HG23 VAL A 78 -5.515 22.379 -19.614 1.00 20.13 H new ATOM 1218 N PRO A 79 -7.811 20.710 -21.245 1.00 11.33 N ATOM 1219 CA PRO A 79 -8.598 20.925 -22.463 1.00 3.52 C ATOM 1220 C PRO A 79 -7.782 21.582 -23.571 1.00 40.22 C ATOM 1221 O PRO A 79 -6.753 22.208 -23.312 1.00 73.15 O ATOM 1222 CB PRO A 79 -9.720 21.858 -22.000 1.00 42.33 C ATOM 1223 CG PRO A 79 -9.157 22.571 -20.819 1.00 51.13 C ATOM 1224 CD PRO A 79 -8.236 21.592 -20.145 1.00 14.23 C ATOM 0 HA PRO A 79 -8.954 19.987 -22.890 1.00 3.52 H new ATOM 0 HB2 PRO A 79 -10.003 22.557 -22.787 1.00 42.33 H new ATOM 0 HB3 PRO A 79 -10.616 21.298 -21.734 1.00 42.33 H new ATOM 0 HG2 PRO A 79 -8.618 23.467 -21.125 1.00 51.13 H new ATOM 0 HG3 PRO A 79 -9.949 22.891 -20.142 1.00 51.13 H new ATOM 0 HD2 PRO A 79 -7.387 22.093 -19.681 1.00 14.23 H new ATOM 0 HD3 PRO A 79 -8.746 21.036 -19.359 1.00 14.23 H new ATOM 1232 N THR A 80 -8.247 21.436 -24.808 1.00 53.40 N ATOM 1233 CA THR A 80 -7.561 22.015 -25.956 1.00 64.31 C ATOM 1234 C THR A 80 -8.333 23.202 -26.518 1.00 14.50 C ATOM 1235 O THR A 80 -9.563 23.243 -26.456 1.00 4.15 O ATOM 1236 CB THR A 80 -7.359 20.973 -27.073 1.00 3.40 C ATOM 1237 OG1 THR A 80 -6.527 21.517 -28.105 1.00 35.53 O ATOM 1238 CG2 THR A 80 -8.694 20.547 -27.663 1.00 34.41 C ATOM 0 H THR A 80 -9.096 20.921 -25.040 1.00 53.40 H new ATOM 0 HA THR A 80 -6.587 22.354 -25.604 1.00 64.31 H new ATOM 0 HB THR A 80 -6.875 20.097 -26.640 1.00 3.40 H new ATOM 0 HG1 THR A 80 -6.402 20.848 -28.811 1.00 35.53 H new ATOM 0 HG21 THR A 80 -8.526 19.811 -28.449 1.00 34.41 H new ATOM 0 HG22 THR A 80 -9.314 20.108 -26.881 1.00 34.41 H new ATOM 0 HG23 THR A 80 -9.201 21.416 -28.082 1.00 34.41 H new ATOM 1246 N THR A 81 -7.606 24.169 -27.068 1.00 45.53 N ATOM 1247 CA THR A 81 -8.223 25.359 -27.641 1.00 62.12 C ATOM 1248 C THR A 81 -8.293 25.264 -29.161 1.00 41.10 C ATOM 1249 O THR A 81 -7.273 25.343 -29.844 1.00 45.01 O ATOM 1250 CB THR A 81 -7.452 26.634 -27.253 1.00 3.52 C ATOM 1251 OG1 THR A 81 -6.042 26.388 -27.298 1.00 21.41 O ATOM 1252 CG2 THR A 81 -7.845 27.102 -25.860 1.00 35.23 C ATOM 0 H THR A 81 -6.588 24.151 -27.129 1.00 45.53 H new ATOM 0 HA THR A 81 -9.233 25.417 -27.236 1.00 62.12 H new ATOM 0 HB THR A 81 -7.707 27.416 -27.968 1.00 3.52 H new ATOM 0 HG1 THR A 81 -5.815 25.940 -28.139 1.00 21.41 H new ATOM 0 HG21 THR A 81 -7.287 28.004 -25.608 1.00 35.23 H new ATOM 0 HG22 THR A 81 -8.913 27.318 -25.836 1.00 35.23 H new ATOM 0 HG23 THR A 81 -7.617 26.320 -25.136 1.00 35.23 H new ATOM 1260 N GLU A 82 -9.504 25.095 -29.684 1.00 5.24 N ATOM 1261 CA GLU A 82 -9.705 24.990 -31.124 1.00 31.20 C ATOM 1262 C GLU A 82 -8.883 23.843 -31.706 1.00 15.02 C ATOM 1263 O GLU A 82 -7.709 24.011 -32.032 1.00 51.53 O ATOM 1264 CB GLU A 82 -9.327 26.303 -31.812 1.00 4.12 C ATOM 1265 CG GLU A 82 -10.239 26.669 -32.970 1.00 75.42 C ATOM 1266 CD GLU A 82 -11.700 26.726 -32.566 1.00 60.25 C ATOM 1267 OE1 GLU A 82 -12.036 27.522 -31.665 1.00 73.04 O ATOM 1268 OE2 GLU A 82 -12.507 25.974 -33.153 1.00 23.23 O ATOM 0 H GLU A 82 -10.359 25.028 -29.132 1.00 5.24 H new ATOM 0 HA GLU A 82 -10.761 24.786 -31.303 1.00 31.20 H new ATOM 0 HB2 GLU A 82 -9.347 27.107 -31.077 1.00 4.12 H new ATOM 0 HB3 GLU A 82 -8.302 26.230 -32.177 1.00 4.12 H new ATOM 0 HG2 GLU A 82 -9.939 27.637 -33.372 1.00 75.42 H new ATOM 0 HG3 GLU A 82 -10.115 25.939 -33.770 1.00 75.42 H new TER 1275 GLU A 82