USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 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 20 LYS NZ :NH3+ 171:sc= 0.965 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot -102:sc= 2.04 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 53:sc= 0.163 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0121) USER MOD Single : A 69 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 90 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.63) USER MOD Single : A 93 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.34) USER MOD Single : A 98 LYS NZ :NH3+ 149:sc= 1.2 (180deg=0.00959!) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.160 38.348 18.171 1.00 0.00 N ATOM 45 CA ASP A 12 26.058 38.308 17.058 1.00 0.00 C ATOM 46 C ASP A 12 27.045 37.198 17.157 1.00 0.00 C ATOM 47 O ASP A 12 27.179 36.533 18.183 1.00 0.00 O ATOM 48 CB ASP A 12 26.723 39.687 16.920 1.00 0.00 C ATOM 49 CG ASP A 12 27.262 39.971 15.524 1.00 0.00 C ATOM 50 OD1 ASP A 12 26.866 39.264 14.560 1.00 0.00 O ATOM 51 OD2 ASP A 12 28.096 40.906 15.388 1.00 0.00 O ATOM 0 HA ASP A 12 25.495 38.092 16.150 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.999 40.458 17.184 1.00 0.00 H new ATOM 0 HB3 ASP A 12 27.541 39.759 17.637 1.00 0.00 H new ATOM 56 N THR A 13 27.767 36.917 16.056 1.00 0.00 N ATOM 57 CA THR A 13 28.698 35.840 15.934 1.00 0.00 C ATOM 58 C THR A 13 30.120 36.286 15.975 1.00 0.00 C ATOM 59 O THR A 13 30.444 37.445 15.724 1.00 0.00 O ATOM 60 CB THR A 13 28.517 35.012 14.695 1.00 0.00 C ATOM 61 OG1 THR A 13 28.549 35.775 13.499 1.00 0.00 O ATOM 62 CG2 THR A 13 27.147 34.316 14.773 1.00 0.00 C ATOM 0 H THR A 13 27.696 37.474 15.204 1.00 0.00 H new ATOM 0 HA THR A 13 28.476 35.226 16.807 1.00 0.00 H new ATOM 0 HB THR A 13 29.346 34.305 14.658 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.428 35.181 12.729 1.00 0.00 H new ATOM 0 HG21 THR A 13 26.996 33.709 13.881 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.113 33.678 15.656 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.360 35.068 14.838 1.00 0.00 H new ATOM 70 N PHE A 14 31.034 35.340 16.253 1.00 0.00 N ATOM 71 CA PHE A 14 32.442 35.534 16.089 1.00 0.00 C ATOM 72 C PHE A 14 33.052 34.231 15.700 1.00 0.00 C ATOM 73 O PHE A 14 32.716 33.180 16.243 1.00 0.00 O ATOM 74 CB PHE A 14 33.256 35.998 17.308 1.00 0.00 C ATOM 75 CG PHE A 14 32.452 36.738 18.322 1.00 0.00 C ATOM 76 CD1 PHE A 14 31.721 36.015 19.236 1.00 0.00 C ATOM 77 CD2 PHE A 14 32.436 38.112 18.375 1.00 0.00 C ATOM 78 CE1 PHE A 14 30.948 36.649 20.180 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.669 38.755 19.317 1.00 0.00 C ATOM 80 CZ PHE A 14 30.922 38.023 20.210 1.00 0.00 C ATOM 0 H PHE A 14 30.788 34.414 16.602 1.00 0.00 H new ATOM 0 HA PHE A 14 32.494 36.338 15.355 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.710 35.128 17.782 1.00 0.00 H new ATOM 0 HB3 PHE A 14 34.071 36.637 16.967 1.00 0.00 H new ATOM 0 HD1 PHE A 14 31.755 34.936 19.212 1.00 0.00 H new ATOM 0 HD2 PHE A 14 33.026 38.686 17.676 1.00 0.00 H new ATOM 0 HE1 PHE A 14 30.369 36.075 20.888 1.00 0.00 H new ATOM 0 HE2 PHE A 14 31.653 39.834 19.356 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.310 38.532 20.940 1.00 0.00 H new ATOM 90 N GLU A 15 34.028 34.269 14.776 1.00 0.00 N ATOM 91 CA GLU A 15 34.942 33.193 14.545 1.00 0.00 C ATOM 92 C GLU A 15 36.122 33.343 15.441 1.00 0.00 C ATOM 93 O GLU A 15 36.674 34.427 15.624 1.00 0.00 O ATOM 94 CB GLU A 15 35.386 33.107 13.075 1.00 0.00 C ATOM 95 CG GLU A 15 34.219 33.185 12.088 1.00 0.00 C ATOM 96 CD GLU A 15 34.046 34.568 11.475 1.00 0.00 C ATOM 97 OE1 GLU A 15 33.706 35.544 12.197 1.00 0.00 O ATOM 98 OE2 GLU A 15 34.259 34.698 10.241 1.00 0.00 O ATOM 0 H GLU A 15 34.187 35.074 14.170 1.00 0.00 H new ATOM 0 HA GLU A 15 34.425 32.260 14.770 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.086 33.916 12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.924 32.172 12.919 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.376 32.458 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.299 32.903 12.600 1.00 0.00 H new ATOM 105 N VAL A 16 36.519 32.243 16.106 1.00 0.00 N ATOM 106 CA VAL A 16 37.481 32.200 17.163 1.00 0.00 C ATOM 107 C VAL A 16 38.608 31.304 16.781 1.00 0.00 C ATOM 108 O VAL A 16 38.516 30.086 16.930 1.00 0.00 O ATOM 109 CB VAL A 16 36.875 31.679 18.433 1.00 0.00 C ATOM 110 CG1 VAL A 16 37.846 31.951 19.594 1.00 0.00 C ATOM 111 CG2 VAL A 16 35.495 32.306 18.692 1.00 0.00 C ATOM 0 H VAL A 16 36.141 31.321 15.889 1.00 0.00 H new ATOM 0 HA VAL A 16 37.835 33.217 17.328 1.00 0.00 H new ATOM 0 HB VAL A 16 36.716 30.604 18.344 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.416 31.577 20.523 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.793 31.446 19.403 1.00 0.00 H new ATOM 0 HG13 VAL A 16 38.018 33.024 19.680 1.00 0.00 H new ATOM 0 HG21 VAL A 16 35.083 31.908 19.619 1.00 0.00 H new ATOM 0 HG22 VAL A 16 35.597 33.388 18.775 1.00 0.00 H new ATOM 0 HG23 VAL A 16 34.826 32.067 17.865 1.00 0.00 H new ATOM 121 N GLU A 17 39.736 31.845 16.288 1.00 0.00 N ATOM 122 CA GLU A 17 40.912 31.080 16.011 1.00 0.00 C ATOM 123 C GLU A 17 41.801 31.062 17.207 1.00 0.00 C ATOM 124 O GLU A 17 42.475 32.035 17.541 1.00 0.00 O ATOM 125 CB GLU A 17 41.644 31.595 14.761 1.00 0.00 C ATOM 126 CG GLU A 17 40.851 31.323 13.482 1.00 0.00 C ATOM 127 CD GLU A 17 41.489 31.901 12.225 1.00 0.00 C ATOM 128 OE1 GLU A 17 42.517 31.363 11.734 1.00 0.00 O ATOM 129 OE2 GLU A 17 40.937 32.890 11.676 1.00 0.00 O ATOM 0 H GLU A 17 39.833 32.838 16.077 1.00 0.00 H new ATOM 0 HA GLU A 17 40.613 30.055 15.792 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.819 32.666 14.859 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.621 31.118 14.690 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.739 30.246 13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.849 31.737 13.592 1.00 0.00 H new ATOM 136 N LEU A 18 41.791 29.942 17.951 1.00 0.00 N ATOM 137 CA LEU A 18 42.361 29.851 19.259 1.00 0.00 C ATOM 138 C LEU A 18 43.385 28.771 19.330 1.00 0.00 C ATOM 139 O LEU A 18 43.141 27.608 19.011 1.00 0.00 O ATOM 140 CB LEU A 18 41.224 29.581 20.260 1.00 0.00 C ATOM 141 CG LEU A 18 41.206 30.455 21.524 1.00 0.00 C ATOM 142 CD1 LEU A 18 39.848 30.282 22.223 1.00 0.00 C ATOM 143 CD2 LEU A 18 42.346 30.153 22.511 1.00 0.00 C ATOM 0 H LEU A 18 41.371 29.069 17.631 1.00 0.00 H new ATOM 0 HA LEU A 18 42.865 30.787 19.501 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.274 29.710 19.741 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.280 28.537 20.567 1.00 0.00 H new ATOM 0 HG LEU A 18 41.359 31.485 21.202 1.00 0.00 H new ATOM 0 HD11 LEU A 18 39.821 30.897 23.123 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.050 30.591 21.548 1.00 0.00 H new ATOM 0 HD13 LEU A 18 39.709 29.236 22.495 1.00 0.00 H new ATOM 0 HD21 LEU A 18 42.263 30.811 23.376 1.00 0.00 H new ATOM 0 HD22 LEU A 18 42.279 29.115 22.837 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.305 30.318 22.020 1.00 0.00 H new ATOM 155 N ALA A 19 44.591 29.091 19.832 1.00 0.00 N ATOM 156 CA ALA A 19 45.721 28.216 19.904 1.00 0.00 C ATOM 157 C ALA A 19 45.872 27.677 21.285 1.00 0.00 C ATOM 158 O ALA A 19 45.887 28.421 22.265 1.00 0.00 O ATOM 159 CB ALA A 19 46.990 28.974 19.482 1.00 0.00 C ATOM 0 H ALA A 19 44.789 30.017 20.211 1.00 0.00 H new ATOM 0 HA ALA A 19 45.566 27.378 19.225 1.00 0.00 H new ATOM 0 HB1 ALA A 19 47.849 28.305 19.538 1.00 0.00 H new ATOM 0 HB2 ALA A 19 46.876 29.333 18.459 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.146 29.822 20.149 1.00 0.00 H new ATOM 165 N LYS A 20 45.919 26.343 21.442 1.00 0.00 N ATOM 166 CA LYS A 20 45.934 25.677 22.707 1.00 0.00 C ATOM 167 C LYS A 20 47.184 25.836 23.501 1.00 0.00 C ATOM 168 O LYS A 20 48.283 25.988 22.970 1.00 0.00 O ATOM 169 CB LYS A 20 45.677 24.173 22.507 1.00 0.00 C ATOM 170 CG LYS A 20 44.297 23.870 21.919 1.00 0.00 C ATOM 171 CD LYS A 20 44.207 22.514 21.215 1.00 0.00 C ATOM 172 CE LYS A 20 44.152 21.291 22.132 1.00 0.00 C ATOM 173 NZ LYS A 20 44.088 20.059 21.314 1.00 0.00 N ATOM 0 H LYS A 20 45.948 25.699 20.651 1.00 0.00 H new ATOM 0 HA LYS A 20 45.144 26.160 23.282 1.00 0.00 H new ATOM 0 HB2 LYS A 20 46.443 23.765 21.848 1.00 0.00 H new ATOM 0 HB3 LYS A 20 45.776 23.663 23.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.557 23.903 22.719 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.035 24.655 21.209 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.318 22.512 20.584 1.00 0.00 H new ATOM 0 HD3 LYS A 20 45.068 22.411 20.554 1.00 0.00 H new ATOM 0 HE2 LYS A 20 45.031 21.267 22.776 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.281 21.352 22.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.204 19.228 21.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.167 20.009 20.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.848 20.074 20.604 1.00 0.00 H new ATOM 187 N THR A 21 47.063 25.798 24.840 1.00 0.00 N ATOM 188 CA THR A 21 48.151 25.901 25.762 1.00 0.00 C ATOM 189 C THR A 21 48.477 24.549 26.296 1.00 0.00 C ATOM 190 O THR A 21 47.952 24.127 27.325 1.00 0.00 O ATOM 191 CB THR A 21 47.898 26.839 26.905 1.00 0.00 C ATOM 192 OG1 THR A 21 46.623 26.635 27.497 1.00 0.00 O ATOM 193 CG2 THR A 21 47.933 28.284 26.379 1.00 0.00 C ATOM 0 H THR A 21 46.160 25.690 25.303 1.00 0.00 H new ATOM 0 HA THR A 21 48.988 26.318 25.202 1.00 0.00 H new ATOM 0 HB THR A 21 48.668 26.653 27.654 1.00 0.00 H new ATOM 0 HG1 THR A 21 46.519 25.689 27.731 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.750 28.975 27.202 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.911 28.489 25.943 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.163 28.413 25.619 1.00 0.00 H new ATOM 201 N ASP A 22 49.347 23.810 25.584 1.00 0.00 N ATOM 202 CA ASP A 22 49.765 22.463 25.817 1.00 0.00 C ATOM 203 C ASP A 22 48.684 21.484 26.122 1.00 0.00 C ATOM 204 O ASP A 22 48.586 20.926 27.214 1.00 0.00 O ATOM 205 CB ASP A 22 50.937 22.407 26.811 1.00 0.00 C ATOM 206 CG ASP A 22 51.774 21.145 26.672 1.00 0.00 C ATOM 207 OD1 ASP A 22 51.632 20.396 25.668 1.00 0.00 O ATOM 208 OD2 ASP A 22 52.617 20.900 27.576 1.00 0.00 O ATOM 0 H ASP A 22 49.803 24.200 24.759 1.00 0.00 H new ATOM 0 HA ASP A 22 50.125 22.113 24.849 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.575 23.278 26.661 1.00 0.00 H new ATOM 0 HB3 ASP A 22 50.548 22.468 27.827 1.00 0.00 H new ATOM 213 N GLY A 23 47.796 21.247 25.139 1.00 0.00 N ATOM 214 CA GLY A 23 46.682 20.358 25.263 1.00 0.00 C ATOM 215 C GLY A 23 45.417 21.040 25.657 1.00 0.00 C ATOM 216 O GLY A 23 44.330 20.582 25.310 1.00 0.00 O ATOM 0 H GLY A 23 47.856 21.692 24.223 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.529 19.846 24.313 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.919 19.593 26.003 1.00 0.00 H new ATOM 220 N SER A 24 45.497 22.152 26.410 1.00 0.00 N ATOM 221 CA SER A 24 44.358 22.767 27.018 1.00 0.00 C ATOM 222 C SER A 24 43.788 23.913 26.255 1.00 0.00 C ATOM 223 O SER A 24 44.500 24.796 25.779 1.00 0.00 O ATOM 224 CB SER A 24 44.649 23.267 28.442 1.00 0.00 C ATOM 225 OG SER A 24 45.052 22.188 29.273 1.00 0.00 O ATOM 0 H SER A 24 46.375 22.635 26.601 1.00 0.00 H new ATOM 0 HA SER A 24 43.625 21.960 27.031 1.00 0.00 H new ATOM 0 HB2 SER A 24 45.431 24.026 28.415 1.00 0.00 H new ATOM 0 HB3 SER A 24 43.759 23.741 28.857 1.00 0.00 H new ATOM 0 HG SER A 24 45.236 22.521 30.176 1.00 0.00 H new ATOM 231 N LEU A 25 42.448 23.952 26.150 1.00 0.00 N ATOM 232 CA LEU A 25 41.693 25.047 25.623 1.00 0.00 C ATOM 233 C LEU A 25 41.429 26.063 26.682 1.00 0.00 C ATOM 234 O LEU A 25 41.867 27.208 26.586 1.00 0.00 O ATOM 235 CB LEU A 25 40.353 24.527 25.077 1.00 0.00 C ATOM 236 CG LEU A 25 40.475 23.642 23.825 1.00 0.00 C ATOM 237 CD1 LEU A 25 39.211 22.788 23.629 1.00 0.00 C ATOM 238 CD2 LEU A 25 40.724 24.484 22.562 1.00 0.00 C ATOM 0 H LEU A 25 41.858 23.176 26.450 1.00 0.00 H new ATOM 0 HA LEU A 25 42.269 25.514 24.824 1.00 0.00 H new ATOM 0 HB2 LEU A 25 39.852 23.959 25.861 1.00 0.00 H new ATOM 0 HB3 LEU A 25 39.715 25.379 24.843 1.00 0.00 H new ATOM 0 HG LEU A 25 41.331 22.985 23.981 1.00 0.00 H new ATOM 0 HD11 LEU A 25 39.323 22.172 22.737 1.00 0.00 H new ATOM 0 HD12 LEU A 25 39.067 22.146 24.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 38.346 23.440 23.513 1.00 0.00 H new ATOM 0 HD21 LEU A 25 40.805 23.826 21.696 1.00 0.00 H new ATOM 0 HD22 LEU A 25 39.894 25.175 22.416 1.00 0.00 H new ATOM 0 HD23 LEU A 25 41.650 25.048 22.677 1.00 0.00 H new ATOM 250 N GLY A 26 40.733 25.712 27.778 1.00 0.00 N ATOM 251 CA GLY A 26 40.425 26.564 28.884 1.00 0.00 C ATOM 252 C GLY A 26 38.954 26.671 29.091 1.00 0.00 C ATOM 253 O GLY A 26 38.475 27.685 29.596 1.00 0.00 O ATOM 0 H GLY A 26 40.361 24.770 27.898 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.894 26.175 29.788 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.843 27.555 28.710 1.00 0.00 H new ATOM 257 N ILE A 27 38.184 25.639 28.700 1.00 0.00 N ATOM 258 CA ILE A 27 36.755 25.664 28.657 1.00 0.00 C ATOM 259 C ILE A 27 36.178 24.544 29.453 1.00 0.00 C ATOM 260 O ILE A 27 36.795 23.499 29.656 1.00 0.00 O ATOM 261 CB ILE A 27 36.266 25.543 27.244 1.00 0.00 C ATOM 262 CG1 ILE A 27 36.621 24.204 26.576 1.00 0.00 C ATOM 263 CG2 ILE A 27 36.800 26.733 26.430 1.00 0.00 C ATOM 264 CD1 ILE A 27 36.137 24.099 25.131 1.00 0.00 C ATOM 0 H ILE A 27 38.576 24.746 28.400 1.00 0.00 H new ATOM 0 HA ILE A 27 36.434 26.616 29.080 1.00 0.00 H new ATOM 0 HB ILE A 27 35.176 25.562 27.270 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.703 24.070 26.600 1.00 0.00 H new ATOM 0 HG13 ILE A 27 36.187 23.390 27.157 1.00 0.00 H new ATOM 0 HG21 ILE A 27 36.451 26.656 25.400 1.00 0.00 H new ATOM 0 HG22 ILE A 27 36.439 27.664 26.867 1.00 0.00 H new ATOM 0 HG23 ILE A 27 37.890 26.724 26.445 1.00 0.00 H new ATOM 0 HD11 ILE A 27 36.421 23.130 24.722 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.052 24.201 25.102 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.592 24.891 24.536 1.00 0.00 H new ATOM 276 N SER A 28 34.925 24.707 29.916 1.00 0.00 N ATOM 277 CA SER A 28 34.053 23.602 30.168 1.00 0.00 C ATOM 278 C SER A 28 32.758 23.892 29.490 1.00 0.00 C ATOM 279 O SER A 28 32.210 24.984 29.629 1.00 0.00 O ATOM 280 CB SER A 28 33.821 23.292 31.656 1.00 0.00 C ATOM 281 OG SER A 28 33.166 22.040 31.804 1.00 0.00 O ATOM 0 H SER A 28 34.512 25.618 30.118 1.00 0.00 H new ATOM 0 HA SER A 28 34.533 22.706 29.774 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.775 23.276 32.184 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.220 24.080 32.109 1.00 0.00 H new ATOM 0 HG SER A 28 33.026 21.854 32.756 1.00 0.00 H new ATOM 287 N VAL A 29 32.241 22.927 28.709 1.00 0.00 N ATOM 288 CA VAL A 29 31.038 23.049 27.945 1.00 0.00 C ATOM 289 C VAL A 29 29.944 22.288 28.610 1.00 0.00 C ATOM 290 O VAL A 29 30.180 21.395 29.422 1.00 0.00 O ATOM 291 CB VAL A 29 31.193 22.621 26.516 1.00 0.00 C ATOM 292 CG1 VAL A 29 32.096 23.633 25.791 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.764 21.200 26.378 1.00 0.00 C ATOM 0 H VAL A 29 32.685 22.015 28.605 1.00 0.00 H new ATOM 0 HA VAL A 29 30.786 24.109 27.912 1.00 0.00 H new ATOM 0 HB VAL A 29 30.202 22.599 26.062 1.00 0.00 H new ATOM 0 HG11 VAL A 29 32.217 23.333 24.750 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.640 24.622 25.833 1.00 0.00 H new ATOM 0 HG13 VAL A 29 33.072 23.662 26.276 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.854 20.945 25.322 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.747 21.156 26.847 1.00 0.00 H new ATOM 0 HG23 VAL A 29 31.096 20.491 26.867 1.00 0.00 H new ATOM 303 N THR A 30 28.677 22.636 28.320 1.00 0.00 N ATOM 304 CA THR A 30 27.527 21.950 28.821 1.00 0.00 C ATOM 305 C THR A 30 26.505 21.858 27.741 1.00 0.00 C ATOM 306 O THR A 30 26.615 22.512 26.704 1.00 0.00 O ATOM 307 CB THR A 30 26.929 22.610 30.028 1.00 0.00 C ATOM 308 OG1 THR A 30 26.025 21.758 30.718 1.00 0.00 O ATOM 309 CG2 THR A 30 26.208 23.935 29.728 1.00 0.00 C ATOM 0 H THR A 30 28.446 23.424 27.715 1.00 0.00 H new ATOM 0 HA THR A 30 27.851 20.958 29.134 1.00 0.00 H new ATOM 0 HB THR A 30 27.792 22.828 30.657 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.662 22.229 31.497 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.804 24.347 30.653 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.914 24.643 29.293 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.394 23.755 29.025 1.00 0.00 H new ATOM 317 N GLY A 31 25.444 21.062 27.962 1.00 0.00 N ATOM 318 CA GLY A 31 24.247 21.108 27.181 1.00 0.00 C ATOM 319 C GLY A 31 24.054 19.951 26.260 1.00 0.00 C ATOM 320 O GLY A 31 24.306 18.794 26.594 1.00 0.00 O ATOM 0 H GLY A 31 25.418 20.365 28.706 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.392 21.164 27.855 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.249 22.026 26.593 1.00 0.00 H new ATOM 324 N GLY A 32 23.553 20.244 25.047 1.00 0.00 N ATOM 325 CA GLY A 32 23.202 19.256 24.074 1.00 0.00 C ATOM 326 C GLY A 32 21.800 18.773 24.220 1.00 0.00 C ATOM 327 O GLY A 32 21.183 18.860 25.281 1.00 0.00 O ATOM 0 H GLY A 32 23.387 21.200 24.733 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.336 19.673 23.076 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.884 18.410 24.160 1.00 0.00 H new ATOM 331 N VAL A 33 21.229 18.227 23.132 1.00 0.00 N ATOM 332 CA VAL A 33 19.824 17.981 23.019 1.00 0.00 C ATOM 333 C VAL A 33 19.243 16.955 23.929 1.00 0.00 C ATOM 334 O VAL A 33 18.128 17.121 24.421 1.00 0.00 O ATOM 335 CB VAL A 33 19.432 17.708 21.597 1.00 0.00 C ATOM 336 CG1 VAL A 33 19.663 18.983 20.767 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.209 16.535 20.976 1.00 0.00 C ATOM 0 H VAL A 33 21.759 17.948 22.307 1.00 0.00 H new ATOM 0 HA VAL A 33 19.382 18.916 23.364 1.00 0.00 H new ATOM 0 HB VAL A 33 18.380 17.423 21.592 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.382 18.798 19.730 1.00 0.00 H new ATOM 0 HG12 VAL A 33 19.055 19.794 21.169 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.716 19.261 20.813 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.882 16.386 19.947 1.00 0.00 H new ATOM 0 HG22 VAL A 33 21.276 16.758 20.989 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.021 15.629 21.551 1.00 0.00 H new ATOM 450 N GLY A 41 21.342 23.571 23.043 1.00 0.00 N ATOM 451 CA GLY A 41 22.574 23.815 22.359 1.00 0.00 C ATOM 452 C GLY A 41 23.743 23.506 23.231 1.00 0.00 C ATOM 453 O GLY A 41 23.599 23.027 24.355 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.619 23.206 21.456 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.618 24.857 22.043 1.00 0.00 H new ATOM 457 N ILE A 42 24.964 23.769 22.732 1.00 0.00 N ATOM 458 CA ILE A 42 26.173 23.556 23.465 1.00 0.00 C ATOM 459 C ILE A 42 26.590 24.881 24.005 1.00 0.00 C ATOM 460 O ILE A 42 26.805 25.830 23.252 1.00 0.00 O ATOM 461 CB ILE A 42 27.248 22.940 22.619 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.775 21.658 21.916 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.513 22.671 23.452 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.434 20.495 22.846 1.00 0.00 C ATOM 0 H ILE A 42 25.114 24.140 21.794 1.00 0.00 H new ATOM 0 HA ILE A 42 26.002 22.845 24.274 1.00 0.00 H new ATOM 0 HB ILE A 42 27.491 23.661 21.839 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.895 21.894 21.318 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.553 21.334 21.225 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.278 22.224 22.817 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.885 23.610 23.863 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.274 21.988 24.267 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.111 19.639 22.254 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.315 20.223 23.427 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.632 20.792 23.521 1.00 0.00 H new ATOM 476 N TYR A 43 26.680 25.024 25.340 1.00 0.00 N ATOM 477 CA TYR A 43 26.891 26.294 25.964 1.00 0.00 C ATOM 478 C TYR A 43 28.149 26.277 26.762 1.00 0.00 C ATOM 479 O TYR A 43 28.569 25.249 27.291 1.00 0.00 O ATOM 480 CB TYR A 43 25.726 26.674 26.893 1.00 0.00 C ATOM 481 CG TYR A 43 24.498 26.978 26.106 1.00 0.00 C ATOM 482 CD1 TYR A 43 24.344 28.217 25.531 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.499 26.043 25.961 1.00 0.00 C ATOM 484 CE1 TYR A 43 23.204 28.521 24.824 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.357 26.341 25.255 1.00 0.00 C ATOM 486 CZ TYR A 43 22.210 27.582 24.684 1.00 0.00 C ATOM 487 OH TYR A 43 21.041 27.914 23.966 1.00 0.00 O ATOM 0 H TYR A 43 26.605 24.247 25.996 1.00 0.00 H new ATOM 0 HA TYR A 43 26.960 27.033 25.166 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.526 25.857 27.586 1.00 0.00 H new ATOM 0 HB3 TYR A 43 26.002 27.541 27.494 1.00 0.00 H new ATOM 0 HD1 TYR A 43 25.124 28.957 25.635 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.613 25.066 26.406 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.090 29.498 24.379 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.577 25.601 25.150 1.00 0.00 H new ATOM 0 HH TYR A 43 20.434 27.144 23.955 1.00 0.00 H new ATOM 497 N VAL A 44 28.814 27.441 26.883 1.00 0.00 N ATOM 498 CA VAL A 44 29.970 27.619 27.706 1.00 0.00 C ATOM 499 C VAL A 44 29.608 27.727 29.147 1.00 0.00 C ATOM 500 O VAL A 44 28.990 28.700 29.576 1.00 0.00 O ATOM 501 CB VAL A 44 30.792 28.803 27.287 1.00 0.00 C ATOM 502 CG1 VAL A 44 32.089 28.879 28.111 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.134 28.693 25.791 1.00 0.00 C ATOM 0 H VAL A 44 28.536 28.289 26.389 1.00 0.00 H new ATOM 0 HA VAL A 44 30.580 26.726 27.569 1.00 0.00 H new ATOM 0 HB VAL A 44 30.213 29.710 27.463 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.672 29.744 27.793 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.843 28.976 29.168 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.672 27.971 27.956 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.731 29.554 25.490 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.701 27.779 25.614 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.213 28.668 25.208 1.00 0.00 H new ATOM 513 N LYS A 45 29.985 26.732 29.971 1.00 0.00 N ATOM 514 CA LYS A 45 29.611 26.651 31.348 1.00 0.00 C ATOM 515 C LYS A 45 30.597 27.328 32.238 1.00 0.00 C ATOM 516 O LYS A 45 30.237 28.036 33.176 1.00 0.00 O ATOM 517 CB LYS A 45 29.427 25.177 31.748 1.00 0.00 C ATOM 518 CG LYS A 45 28.624 24.967 33.034 1.00 0.00 C ATOM 519 CD LYS A 45 29.446 24.675 34.291 1.00 0.00 C ATOM 520 CE LYS A 45 29.878 23.213 34.418 1.00 0.00 C ATOM 521 NZ LYS A 45 30.445 22.954 35.760 1.00 0.00 N ATOM 0 H LYS A 45 30.572 25.956 29.666 1.00 0.00 H new ATOM 0 HA LYS A 45 28.665 27.178 31.473 1.00 0.00 H new ATOM 0 HB2 LYS A 45 28.929 24.651 30.933 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.409 24.720 31.869 1.00 0.00 H new ATOM 0 HG2 LYS A 45 28.023 25.858 33.214 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.930 24.141 32.876 1.00 0.00 H new ATOM 0 HD2 LYS A 45 30.333 25.308 34.289 1.00 0.00 H new ATOM 0 HD3 LYS A 45 28.861 24.949 35.169 1.00 0.00 H new ATOM 0 HE2 LYS A 45 29.023 22.559 34.246 1.00 0.00 H new ATOM 0 HE3 LYS A 45 30.618 22.979 33.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 30.733 21.957 35.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 31.273 23.565 35.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.728 23.158 36.485 1.00 0.00 H new ATOM 535 N ALA A 46 31.903 27.147 31.973 1.00 0.00 N ATOM 536 CA ALA A 46 32.925 27.807 32.724 1.00 0.00 C ATOM 537 C ALA A 46 34.112 28.073 31.864 1.00 0.00 C ATOM 538 O ALA A 46 34.370 27.349 30.904 1.00 0.00 O ATOM 539 CB ALA A 46 33.344 26.966 33.942 1.00 0.00 C ATOM 0 H ALA A 46 32.253 26.539 31.233 1.00 0.00 H new ATOM 0 HA ALA A 46 32.520 28.755 33.079 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.122 27.491 34.496 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.481 26.808 34.589 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.726 26.002 33.605 1.00 0.00 H new ATOM 545 N ILE A 47 34.878 29.131 32.184 1.00 0.00 N ATOM 546 CA ILE A 47 36.123 29.442 31.553 1.00 0.00 C ATOM 547 C ILE A 47 37.213 29.340 32.564 1.00 0.00 C ATOM 548 O ILE A 47 37.172 29.931 33.642 1.00 0.00 O ATOM 549 CB ILE A 47 36.042 30.721 30.774 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.683 30.552 29.386 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.631 31.945 31.496 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.798 29.790 28.401 1.00 0.00 C ATOM 0 H ILE A 47 34.619 29.797 32.912 1.00 0.00 H new ATOM 0 HA ILE A 47 36.371 28.713 30.781 1.00 0.00 H new ATOM 0 HB ILE A 47 34.978 30.929 30.666 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.908 31.536 28.975 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.632 30.026 29.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.530 32.825 30.861 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.095 32.109 32.431 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.686 31.770 31.708 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.309 29.706 27.442 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.593 28.793 28.792 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.859 30.326 28.266 1.00 0.00 H new ATOM 564 N ILE A 48 38.188 28.446 32.319 1.00 0.00 N ATOM 565 CA ILE A 48 39.163 27.993 33.263 1.00 0.00 C ATOM 566 C ILE A 48 40.297 28.912 33.559 1.00 0.00 C ATOM 567 O ILE A 48 40.994 29.242 32.600 1.00 0.00 O ATOM 568 CB ILE A 48 39.655 26.613 32.939 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.594 25.617 33.436 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.974 26.203 33.616 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.516 25.321 32.394 1.00 0.00 C ATOM 0 H ILE A 48 38.302 28.012 31.403 1.00 0.00 H new ATOM 0 HA ILE A 48 38.601 27.974 34.197 1.00 0.00 H new ATOM 0 HB ILE A 48 39.831 26.607 31.863 1.00 0.00 H new ATOM 0 HG12 ILE A 48 39.083 24.685 33.719 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.123 26.015 34.335 1.00 0.00 H new ATOM 0 HG21 ILE A 48 41.238 25.190 33.314 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.766 26.889 33.316 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.854 26.239 34.699 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.797 24.612 32.805 1.00 0.00 H new ATOM 0 HD12 ILE A 48 37.003 26.245 32.129 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.978 24.894 31.504 1.00 0.00 H new ATOM 583 N PRO A 49 40.623 29.300 34.757 1.00 0.00 N ATOM 584 CA PRO A 49 41.733 30.163 35.038 1.00 0.00 C ATOM 585 C PRO A 49 43.058 29.738 34.504 1.00 0.00 C ATOM 586 O PRO A 49 43.541 28.658 34.837 1.00 0.00 O ATOM 587 CB PRO A 49 41.764 30.246 36.562 1.00 0.00 C ATOM 588 CG PRO A 49 40.275 30.178 36.939 1.00 0.00 C ATOM 589 CD PRO A 49 39.754 29.157 35.915 1.00 0.00 C ATOM 0 HA PRO A 49 41.578 31.115 34.530 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.330 29.424 37.000 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.226 31.171 36.907 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.125 29.844 37.966 1.00 0.00 H new ATOM 0 HG3 PRO A 49 39.782 31.145 36.843 1.00 0.00 H new ATOM 0 HD2 PRO A 49 39.794 28.144 36.314 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.715 29.356 35.654 1.00 0.00 H new ATOM 597 N LYS A 50 43.640 30.583 33.634 1.00 0.00 N ATOM 598 CA LYS A 50 44.871 30.416 32.926 1.00 0.00 C ATOM 599 C LYS A 50 44.744 29.472 31.780 1.00 0.00 C ATOM 600 O LYS A 50 45.705 28.818 31.380 1.00 0.00 O ATOM 601 CB LYS A 50 46.093 30.143 33.820 1.00 0.00 C ATOM 602 CG LYS A 50 46.351 31.222 34.874 1.00 0.00 C ATOM 603 CD LYS A 50 47.011 32.492 34.335 1.00 0.00 C ATOM 604 CE LYS A 50 47.117 33.584 35.402 1.00 0.00 C ATOM 605 NZ LYS A 50 47.970 34.707 34.952 1.00 0.00 N ATOM 0 H LYS A 50 43.200 31.474 33.405 1.00 0.00 H new ATOM 0 HA LYS A 50 45.085 31.393 32.493 1.00 0.00 H new ATOM 0 HB2 LYS A 50 45.955 29.185 34.322 1.00 0.00 H new ATOM 0 HB3 LYS A 50 46.977 30.048 33.189 1.00 0.00 H new ATOM 0 HG2 LYS A 50 45.403 31.490 35.340 1.00 0.00 H new ATOM 0 HG3 LYS A 50 46.984 30.803 35.657 1.00 0.00 H new ATOM 0 HD2 LYS A 50 48.007 32.252 33.962 1.00 0.00 H new ATOM 0 HD3 LYS A 50 46.436 32.868 33.489 1.00 0.00 H new ATOM 0 HE2 LYS A 50 46.121 33.957 35.642 1.00 0.00 H new ATOM 0 HE3 LYS A 50 47.528 33.159 36.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 48.019 35.428 35.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 48.927 34.355 34.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 47.564 35.128 34.092 1.00 0.00 H new ATOM 619 N GLY A 51 43.553 29.386 31.163 1.00 0.00 N ATOM 620 CA GLY A 51 43.366 28.700 29.922 1.00 0.00 C ATOM 621 C GLY A 51 43.698 29.580 28.767 1.00 0.00 C ATOM 622 O GLY A 51 43.682 30.805 28.873 1.00 0.00 O ATOM 0 H GLY A 51 42.699 29.803 31.535 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.994 27.810 29.897 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.332 28.363 29.841 1.00 0.00 H new ATOM 626 N ALA A 52 44.010 28.994 27.597 1.00 0.00 N ATOM 627 CA ALA A 52 44.090 29.669 26.339 1.00 0.00 C ATOM 628 C ALA A 52 42.898 30.513 26.045 1.00 0.00 C ATOM 629 O ALA A 52 42.979 31.730 25.887 1.00 0.00 O ATOM 630 CB ALA A 52 44.330 28.666 25.198 1.00 0.00 C ATOM 0 H ALA A 52 44.217 27.998 27.526 1.00 0.00 H new ATOM 0 HA ALA A 52 44.941 30.347 26.411 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.388 29.201 24.250 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.265 28.134 25.372 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.507 27.952 25.162 1.00 0.00 H new ATOM 636 N ALA A 53 41.727 29.853 26.010 1.00 0.00 N ATOM 637 CA ALA A 53 40.420 30.371 25.754 1.00 0.00 C ATOM 638 C ALA A 53 39.952 31.358 26.768 1.00 0.00 C ATOM 639 O ALA A 53 39.476 32.436 26.414 1.00 0.00 O ATOM 640 CB ALA A 53 39.412 29.212 25.664 1.00 0.00 C ATOM 0 H ALA A 53 41.697 28.848 26.180 1.00 0.00 H new ATOM 0 HA ALA A 53 40.484 30.907 24.807 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.416 29.610 25.469 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.700 28.541 24.854 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.405 28.662 26.605 1.00 0.00 H new ATOM 646 N GLU A 54 40.125 31.020 28.058 1.00 0.00 N ATOM 647 CA GLU A 54 39.879 31.882 29.172 1.00 0.00 C ATOM 648 C GLU A 54 40.351 33.289 29.035 1.00 0.00 C ATOM 649 O GLU A 54 39.578 34.244 29.076 1.00 0.00 O ATOM 650 CB GLU A 54 40.502 31.298 30.452 1.00 0.00 C ATOM 651 CG GLU A 54 40.192 32.074 31.733 1.00 0.00 C ATOM 652 CD GLU A 54 41.320 32.871 32.372 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.518 32.589 32.107 1.00 0.00 O ATOM 654 OE2 GLU A 54 41.008 33.783 33.184 1.00 0.00 O ATOM 0 H GLU A 54 40.454 30.096 28.338 1.00 0.00 H new ATOM 0 HA GLU A 54 38.791 31.929 29.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.153 30.272 30.573 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.584 31.254 30.324 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.376 32.763 31.517 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.823 31.364 32.473 1.00 0.00 H new ATOM 661 N SER A 55 41.675 33.441 28.854 1.00 0.00 N ATOM 662 CA SER A 55 42.314 34.716 28.746 1.00 0.00 C ATOM 663 C SER A 55 41.994 35.462 27.498 1.00 0.00 C ATOM 664 O SER A 55 41.942 36.691 27.497 1.00 0.00 O ATOM 665 CB SER A 55 43.840 34.558 28.874 1.00 0.00 C ATOM 666 OG SER A 55 44.405 35.582 29.679 1.00 0.00 O ATOM 0 H SER A 55 42.320 32.654 28.781 1.00 0.00 H new ATOM 0 HA SER A 55 41.916 35.312 29.567 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.071 33.585 29.307 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.293 34.581 27.883 1.00 0.00 H new ATOM 0 HG SER A 55 45.374 35.452 29.741 1.00 0.00 H new ATOM 672 N ASP A 56 41.734 34.757 26.382 1.00 0.00 N ATOM 673 CA ASP A 56 41.448 35.310 25.094 1.00 0.00 C ATOM 674 C ASP A 56 40.227 36.163 25.076 1.00 0.00 C ATOM 675 O ASP A 56 40.296 37.369 24.845 1.00 0.00 O ATOM 676 CB ASP A 56 41.352 34.166 24.071 1.00 0.00 C ATOM 677 CG ASP A 56 41.495 34.671 22.642 1.00 0.00 C ATOM 678 OD1 ASP A 56 42.626 35.102 22.293 1.00 0.00 O ATOM 679 OD2 ASP A 56 40.513 34.606 21.856 1.00 0.00 O ATOM 0 H ASP A 56 41.723 33.737 26.380 1.00 0.00 H new ATOM 0 HA ASP A 56 42.266 35.979 24.827 1.00 0.00 H new ATOM 0 HB2 ASP A 56 42.129 33.430 24.276 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.394 33.658 24.183 1.00 0.00 H new ATOM 684 N GLY A 57 39.055 35.571 25.367 1.00 0.00 N ATOM 685 CA GLY A 57 37.861 36.306 25.651 1.00 0.00 C ATOM 686 C GLY A 57 36.853 36.406 24.559 1.00 0.00 C ATOM 687 O GLY A 57 35.830 37.070 24.726 1.00 0.00 O ATOM 0 H GLY A 57 38.934 34.559 25.406 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.380 35.849 26.516 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.147 37.317 25.942 1.00 0.00 H new ATOM 691 N ARG A 58 37.038 35.714 23.420 1.00 0.00 N ATOM 692 CA ARG A 58 35.976 35.499 22.486 1.00 0.00 C ATOM 693 C ARG A 58 34.994 34.514 23.019 1.00 0.00 C ATOM 694 O ARG A 58 33.786 34.644 22.830 1.00 0.00 O ATOM 695 CB ARG A 58 36.462 34.960 21.130 1.00 0.00 C ATOM 696 CG ARG A 58 37.198 35.950 20.225 1.00 0.00 C ATOM 697 CD ARG A 58 36.354 37.116 19.707 1.00 0.00 C ATOM 698 NE ARG A 58 37.274 38.018 18.958 1.00 0.00 N ATOM 699 CZ ARG A 58 37.412 38.090 17.603 1.00 0.00 C ATOM 700 NH1 ARG A 58 36.860 37.184 16.744 1.00 0.00 N ATOM 701 NH2 ARG A 58 38.144 39.093 17.036 1.00 0.00 N ATOM 0 H ARG A 58 37.929 35.301 23.145 1.00 0.00 H new ATOM 0 HA ARG A 58 35.522 36.479 22.339 1.00 0.00 H new ATOM 0 HB2 ARG A 58 37.122 34.113 21.317 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.599 34.577 20.586 1.00 0.00 H new ATOM 0 HG2 ARG A 58 38.049 36.355 20.773 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.599 35.406 19.370 1.00 0.00 H new ATOM 0 HD2 ARG A 58 35.554 36.756 19.060 1.00 0.00 H new ATOM 0 HD3 ARG A 58 35.881 37.647 20.533 1.00 0.00 H new ATOM 0 HE ARG A 58 37.858 38.643 19.513 1.00 0.00 H new ATOM 0 HH11 ARG A 58 36.312 36.404 17.108 1.00 0.00 H new ATOM 0 HH12 ARG A 58 36.995 37.287 15.738 1.00 0.00 H new ATOM 0 HH21 ARG A 58 38.592 39.794 17.626 1.00 0.00 H new ATOM 0 HH22 ARG A 58 38.243 39.141 16.022 1.00 0.00 H new ATOM 715 N ILE A 59 35.488 33.484 23.730 1.00 0.00 N ATOM 716 CA ILE A 59 34.698 32.494 24.394 1.00 0.00 C ATOM 717 C ILE A 59 34.471 32.946 25.795 1.00 0.00 C ATOM 718 O ILE A 59 35.426 33.226 26.519 1.00 0.00 O ATOM 719 CB ILE A 59 35.378 31.158 24.405 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.968 30.846 23.019 1.00 0.00 C ATOM 721 CG2 ILE A 59 34.378 30.087 24.871 1.00 0.00 C ATOM 722 CD1 ILE A 59 36.375 29.390 22.800 1.00 0.00 C ATOM 0 H ILE A 59 36.490 33.335 23.847 1.00 0.00 H new ATOM 0 HA ILE A 59 33.755 32.378 23.860 1.00 0.00 H new ATOM 0 HB ILE A 59 36.213 31.167 25.106 1.00 0.00 H new ATOM 0 HG12 ILE A 59 35.236 31.120 22.260 1.00 0.00 H new ATOM 0 HG13 ILE A 59 36.842 31.479 22.863 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.867 29.113 24.881 1.00 0.00 H new ATOM 0 HG22 ILE A 59 34.028 30.328 25.875 1.00 0.00 H new ATOM 0 HG23 ILE A 59 33.529 30.060 24.188 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.779 29.272 21.794 1.00 0.00 H new ATOM 0 HD12 ILE A 59 37.134 29.110 23.531 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.503 28.747 22.918 1.00 0.00 H new ATOM 734 N HIS A 60 33.212 33.057 26.256 1.00 0.00 N ATOM 735 CA HIS A 60 32.968 33.386 27.626 1.00 0.00 C ATOM 736 C HIS A 60 31.748 32.706 28.145 1.00 0.00 C ATOM 737 O HIS A 60 31.049 31.981 27.440 1.00 0.00 O ATOM 738 CB HIS A 60 32.885 34.905 27.848 1.00 0.00 C ATOM 739 CG HIS A 60 33.553 35.323 29.124 1.00 0.00 C ATOM 740 ND1 HIS A 60 32.922 35.697 30.293 1.00 0.00 N ATOM 741 CD2 HIS A 60 34.886 35.369 29.390 1.00 0.00 C ATOM 742 CE1 HIS A 60 33.901 35.948 31.202 1.00 0.00 C ATOM 743 NE2 HIS A 60 35.106 35.769 30.693 1.00 0.00 N ATOM 0 H HIS A 60 32.374 32.921 25.690 1.00 0.00 H new ATOM 0 HA HIS A 60 33.823 33.019 28.193 1.00 0.00 H new ATOM 0 HB2 HIS A 60 33.352 35.420 27.009 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.839 35.212 27.869 1.00 0.00 H new ATOM 0 HD2 HIS A 60 35.664 35.127 28.681 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.715 36.257 32.220 1.00 0.00 H new ATOM 0 HE2 HIS A 60 36.003 35.898 31.160 1.00 0.00 H new ATOM 751 N LYS A 61 31.466 32.898 29.446 1.00 0.00 N ATOM 752 CA LYS A 61 30.457 32.184 30.166 1.00 0.00 C ATOM 753 C LYS A 61 29.079 32.474 29.680 1.00 0.00 C ATOM 754 O LYS A 61 28.680 33.630 29.546 1.00 0.00 O ATOM 755 CB LYS A 61 30.597 32.498 31.665 1.00 0.00 C ATOM 756 CG LYS A 61 30.025 31.417 32.585 1.00 0.00 C ATOM 757 CD LYS A 61 30.267 31.676 34.074 1.00 0.00 C ATOM 758 CE LYS A 61 29.138 32.370 34.838 1.00 0.00 C ATOM 759 NZ LYS A 61 28.989 33.803 34.502 1.00 0.00 N ATOM 0 H LYS A 61 31.962 33.579 30.021 1.00 0.00 H new ATOM 0 HA LYS A 61 30.610 31.119 29.994 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.652 32.638 31.899 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.095 33.442 31.876 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.952 31.336 32.410 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.465 30.456 32.317 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.470 30.721 34.558 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.168 32.281 34.173 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.200 31.857 34.628 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.322 32.274 35.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.253 34.226 35.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.892 34.293 34.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.717 33.899 33.503 1.00 0.00 H new ATOM 773 N GLY A 62 28.306 31.427 29.337 1.00 0.00 N ATOM 774 CA GLY A 62 26.972 31.542 28.837 1.00 0.00 C ATOM 775 C GLY A 62 26.847 31.631 27.354 1.00 0.00 C ATOM 776 O GLY A 62 25.735 31.685 26.833 1.00 0.00 O ATOM 0 H GLY A 62 28.625 30.461 29.412 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.398 30.682 29.181 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.513 32.428 29.276 1.00 0.00 H new ATOM 780 N ASP A 63 27.963 31.665 26.604 1.00 0.00 N ATOM 781 CA ASP A 63 27.913 31.812 25.182 1.00 0.00 C ATOM 782 C ASP A 63 27.614 30.520 24.499 1.00 0.00 C ATOM 783 O ASP A 63 27.801 29.445 25.066 1.00 0.00 O ATOM 784 CB ASP A 63 29.188 32.468 24.625 1.00 0.00 C ATOM 785 CG ASP A 63 29.308 33.904 25.116 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.266 34.610 25.167 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.435 34.369 25.431 1.00 0.00 O ATOM 0 H ASP A 63 28.906 31.590 26.985 1.00 0.00 H new ATOM 0 HA ASP A 63 27.086 32.488 24.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.063 31.897 24.936 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.166 32.451 23.535 1.00 0.00 H new ATOM 792 N ARG A 64 27.099 30.570 23.258 1.00 0.00 N ATOM 793 CA ARG A 64 26.638 29.406 22.567 1.00 0.00 C ATOM 794 C ARG A 64 27.599 28.993 21.506 1.00 0.00 C ATOM 795 O ARG A 64 27.899 29.740 20.575 1.00 0.00 O ATOM 796 CB ARG A 64 25.249 29.630 21.946 1.00 0.00 C ATOM 797 CG ARG A 64 24.620 28.357 21.377 1.00 0.00 C ATOM 798 CD ARG A 64 23.200 28.581 20.849 1.00 0.00 C ATOM 799 NE ARG A 64 22.672 27.274 20.367 1.00 0.00 N ATOM 800 CZ ARG A 64 21.342 27.062 20.146 1.00 0.00 C ATOM 801 NH1 ARG A 64 20.432 28.074 20.255 1.00 0.00 N ATOM 802 NH2 ARG A 64 20.888 25.820 19.804 1.00 0.00 N ATOM 0 H ARG A 64 27.001 31.434 22.725 1.00 0.00 H new ATOM 0 HA ARG A 64 26.563 28.609 23.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.585 30.046 22.703 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.331 30.371 21.151 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.247 27.977 20.570 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.598 27.591 22.152 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.561 28.983 21.635 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.206 29.311 20.039 1.00 0.00 H new ATOM 0 HE ARG A 64 23.327 26.511 20.196 1.00 0.00 H new ATOM 0 HH11 ARG A 64 20.741 29.013 20.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.443 27.891 20.085 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.544 25.044 19.712 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.893 25.668 19.640 1.00 0.00 H new ATOM 816 N VAL A 65 28.102 27.750 21.596 1.00 0.00 N ATOM 817 CA VAL A 65 29.082 27.180 20.723 1.00 0.00 C ATOM 818 C VAL A 65 28.379 26.685 19.507 1.00 0.00 C ATOM 819 O VAL A 65 27.318 26.073 19.616 1.00 0.00 O ATOM 820 CB VAL A 65 29.721 26.026 21.439 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.813 25.344 20.598 1.00 0.00 C ATOM 822 CG2 VAL A 65 30.321 26.493 22.775 1.00 0.00 C ATOM 0 H VAL A 65 27.805 27.101 22.325 1.00 0.00 H new ATOM 0 HA VAL A 65 29.841 27.910 20.442 1.00 0.00 H new ATOM 0 HB VAL A 65 28.935 25.293 21.619 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.243 24.516 21.162 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.377 24.965 19.674 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.594 26.066 20.361 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.781 25.646 23.283 1.00 0.00 H new ATOM 0 HG22 VAL A 65 31.076 27.257 22.588 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.532 26.908 23.403 1.00 0.00 H new ATOM 832 N LEU A 66 28.898 26.961 18.296 1.00 0.00 N ATOM 833 CA LEU A 66 28.135 26.750 17.105 1.00 0.00 C ATOM 834 C LEU A 66 28.750 25.772 16.165 1.00 0.00 C ATOM 835 O LEU A 66 28.110 24.812 15.737 1.00 0.00 O ATOM 836 CB LEU A 66 27.840 28.082 16.393 1.00 0.00 C ATOM 837 CG LEU A 66 26.342 28.333 16.148 1.00 0.00 C ATOM 838 CD1 LEU A 66 25.585 28.556 17.468 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.154 29.546 15.222 1.00 0.00 C ATOM 0 H LEU A 66 29.838 27.327 18.142 1.00 0.00 H new ATOM 0 HA LEU A 66 27.194 26.306 17.430 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.244 28.900 16.990 1.00 0.00 H new ATOM 0 HB3 LEU A 66 28.363 28.096 15.437 1.00 0.00 H new ATOM 0 HG LEU A 66 25.928 27.445 15.670 1.00 0.00 H new ATOM 0 HD11 LEU A 66 24.530 28.730 17.257 1.00 0.00 H new ATOM 0 HD12 LEU A 66 25.688 27.674 18.100 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.000 29.422 17.984 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.090 29.715 15.055 1.00 0.00 H new ATOM 0 HD22 LEU A 66 26.593 30.429 15.686 1.00 0.00 H new ATOM 0 HD23 LEU A 66 26.645 29.355 14.268 1.00 0.00 H new ATOM 851 N ALA A 67 30.032 25.957 15.803 1.00 0.00 N ATOM 852 CA ALA A 67 30.642 25.141 14.800 1.00 0.00 C ATOM 853 C ALA A 67 32.104 24.990 15.046 1.00 0.00 C ATOM 854 O ALA A 67 32.878 25.942 14.968 1.00 0.00 O ATOM 855 CB ALA A 67 30.431 25.722 13.391 1.00 0.00 C ATOM 0 H ALA A 67 30.644 26.668 16.203 1.00 0.00 H new ATOM 0 HA ALA A 67 30.161 24.165 14.857 1.00 0.00 H new ATOM 0 HB1 ALA A 67 30.909 25.075 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.364 25.786 13.180 1.00 0.00 H new ATOM 0 HB3 ALA A 67 30.871 26.718 13.338 1.00 0.00 H new ATOM 861 N VAL A 68 32.543 23.761 15.370 1.00 0.00 N ATOM 862 CA VAL A 68 33.902 23.492 15.725 1.00 0.00 C ATOM 863 C VAL A 68 34.646 23.068 14.505 1.00 0.00 C ATOM 864 O VAL A 68 34.393 22.008 13.935 1.00 0.00 O ATOM 865 CB VAL A 68 34.033 22.421 16.766 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.490 22.314 17.250 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.108 22.688 17.965 1.00 0.00 C ATOM 0 H VAL A 68 31.942 22.937 15.386 1.00 0.00 H new ATOM 0 HA VAL A 68 34.314 24.409 16.146 1.00 0.00 H new ATOM 0 HB VAL A 68 33.736 21.479 16.306 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.566 21.532 18.005 1.00 0.00 H new ATOM 0 HG12 VAL A 68 36.136 22.069 16.407 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.801 23.266 17.681 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.228 21.893 18.701 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.367 23.645 18.419 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.072 22.716 17.626 1.00 0.00 H new ATOM 877 N ASN A 69 35.589 23.891 14.015 1.00 0.00 N ATOM 878 CA ASN A 69 36.439 23.650 12.890 1.00 0.00 C ATOM 879 C ASN A 69 35.694 23.476 11.612 1.00 0.00 C ATOM 880 O ASN A 69 36.035 22.674 10.742 1.00 0.00 O ATOM 881 CB ASN A 69 37.457 22.541 13.211 1.00 0.00 C ATOM 882 CG ASN A 69 38.777 22.726 12.475 1.00 0.00 C ATOM 883 OD1 ASN A 69 38.936 23.578 11.603 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.804 21.931 12.878 1.00 0.00 N ATOM 0 H ASN A 69 35.771 24.799 14.441 1.00 0.00 H new ATOM 0 HA ASN A 69 37.023 24.552 12.705 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.643 22.524 14.285 1.00 0.00 H new ATOM 0 HB3 ASN A 69 37.030 21.574 12.946 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.726 22.036 12.455 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.652 21.230 13.603 1.00 0.00 H new ATOM 891 N GLY A 70 34.598 24.241 11.466 1.00 0.00 N ATOM 892 CA GLY A 70 33.705 24.191 10.349 1.00 0.00 C ATOM 893 C GLY A 70 32.594 23.213 10.515 1.00 0.00 C ATOM 894 O GLY A 70 31.666 23.164 9.709 1.00 0.00 O ATOM 0 H GLY A 70 34.320 24.931 12.164 1.00 0.00 H new ATOM 0 HA2 GLY A 70 33.283 25.183 10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 70 34.271 23.936 9.453 1.00 0.00 H new ATOM 898 N VAL A 71 32.636 22.354 11.548 1.00 0.00 N ATOM 899 CA VAL A 71 31.659 21.332 11.762 1.00 0.00 C ATOM 900 C VAL A 71 30.573 21.872 12.628 1.00 0.00 C ATOM 901 O VAL A 71 30.723 21.997 13.842 1.00 0.00 O ATOM 902 CB VAL A 71 32.237 20.083 12.359 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.184 18.964 12.431 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.438 19.617 11.520 1.00 0.00 C ATOM 0 H VAL A 71 33.371 22.370 12.255 1.00 0.00 H new ATOM 0 HA VAL A 71 31.260 21.045 10.789 1.00 0.00 H new ATOM 0 HB VAL A 71 32.564 20.307 13.374 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.631 18.071 12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.348 19.291 13.049 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.826 18.736 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.856 18.710 11.956 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.112 19.413 10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.199 20.398 11.508 1.00 0.00 H new ATOM 914 N SER A 72 29.421 22.237 12.037 1.00 0.00 N ATOM 915 CA SER A 72 28.319 22.765 12.780 1.00 0.00 C ATOM 916 C SER A 72 27.719 21.750 13.692 1.00 0.00 C ATOM 917 O SER A 72 27.477 20.608 13.306 1.00 0.00 O ATOM 918 CB SER A 72 27.190 23.347 11.914 1.00 0.00 C ATOM 919 OG SER A 72 27.619 24.513 11.226 1.00 0.00 O ATOM 0 H SER A 72 29.252 22.165 11.034 1.00 0.00 H new ATOM 0 HA SER A 72 28.763 23.580 13.352 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.858 22.599 11.194 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.333 23.587 12.543 1.00 0.00 H new ATOM 0 HG SER A 72 26.882 24.861 10.682 1.00 0.00 H new ATOM 925 N LEU A 73 27.472 22.137 14.956 1.00 0.00 N ATOM 926 CA LEU A 73 27.056 21.255 16.002 1.00 0.00 C ATOM 927 C LEU A 73 25.579 21.064 16.025 1.00 0.00 C ATOM 928 O LEU A 73 24.931 21.126 17.069 1.00 0.00 O ATOM 929 CB LEU A 73 27.522 21.787 17.368 1.00 0.00 C ATOM 930 CG LEU A 73 29.045 21.913 17.545 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.342 22.523 18.925 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.782 20.570 17.401 1.00 0.00 C ATOM 0 H LEU A 73 27.566 23.105 15.262 1.00 0.00 H new ATOM 0 HA LEU A 73 27.517 20.288 15.803 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.073 22.767 17.529 1.00 0.00 H new ATOM 0 HB3 LEU A 73 27.137 21.128 18.146 1.00 0.00 H new ATOM 0 HG LEU A 73 29.413 22.559 16.748 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.420 22.615 19.058 1.00 0.00 H new ATOM 0 HD12 LEU A 73 28.882 23.509 18.994 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.935 21.878 19.703 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.852 20.726 17.536 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.419 19.873 18.156 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.598 20.159 16.409 1.00 0.00 H new ATOM 944 N GLU A 74 24.952 20.825 14.859 1.00 0.00 N ATOM 945 CA GLU A 74 23.533 20.786 14.689 1.00 0.00 C ATOM 946 C GLU A 74 22.932 19.538 15.238 1.00 0.00 C ATOM 947 O GLU A 74 23.264 18.426 14.827 1.00 0.00 O ATOM 948 CB GLU A 74 23.171 20.914 13.199 1.00 0.00 C ATOM 949 CG GLU A 74 23.402 22.318 12.636 1.00 0.00 C ATOM 950 CD GLU A 74 22.191 23.220 12.830 1.00 0.00 C ATOM 951 OE1 GLU A 74 21.915 23.657 13.979 1.00 0.00 O ATOM 952 OE2 GLU A 74 21.504 23.500 11.812 1.00 0.00 O ATOM 0 H GLU A 74 25.461 20.650 13.992 1.00 0.00 H new ATOM 0 HA GLU A 74 23.123 21.628 15.246 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.762 20.199 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.124 20.644 13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 74 24.268 22.765 13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 74 23.635 22.248 11.573 1.00 0.00 H new ATOM 959 N GLY A 75 22.035 19.685 16.230 1.00 0.00 N ATOM 960 CA GLY A 75 21.438 18.595 16.937 1.00 0.00 C ATOM 961 C GLY A 75 22.371 17.831 17.812 1.00 0.00 C ATOM 962 O GLY A 75 22.144 16.659 18.111 1.00 0.00 O ATOM 0 H GLY A 75 21.714 20.598 16.552 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.622 18.980 17.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 20.997 17.909 16.214 1.00 0.00 H new ATOM 966 N ALA A 76 23.486 18.453 18.233 1.00 0.00 N ATOM 967 CA ALA A 76 24.500 17.805 19.007 1.00 0.00 C ATOM 968 C ALA A 76 24.134 17.482 20.416 1.00 0.00 C ATOM 969 O ALA A 76 23.415 18.212 21.096 1.00 0.00 O ATOM 970 CB ALA A 76 25.795 18.634 18.999 1.00 0.00 C ATOM 0 H ALA A 76 23.689 19.432 18.030 1.00 0.00 H new ATOM 0 HA ALA A 76 24.639 16.844 18.513 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.556 18.127 19.592 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.149 18.746 17.974 1.00 0.00 H new ATOM 0 HB3 ALA A 76 25.600 19.618 19.425 1.00 0.00 H new ATOM 976 N THR A 77 24.649 16.347 20.921 1.00 0.00 N ATOM 977 CA THR A 77 24.622 15.981 22.303 1.00 0.00 C ATOM 978 C THR A 77 25.835 16.483 23.008 1.00 0.00 C ATOM 979 O THR A 77 26.790 16.959 22.396 1.00 0.00 O ATOM 980 CB THR A 77 24.495 14.503 22.528 1.00 0.00 C ATOM 981 OG1 THR A 77 25.500 13.758 21.856 1.00 0.00 O ATOM 982 CG2 THR A 77 23.137 14.034 21.978 1.00 0.00 C ATOM 0 H THR A 77 25.108 15.649 20.335 1.00 0.00 H new ATOM 0 HA THR A 77 23.728 16.450 22.713 1.00 0.00 H new ATOM 0 HB THR A 77 24.594 14.333 23.600 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.374 12.803 22.036 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.032 12.961 22.135 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.334 14.557 22.497 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.082 14.252 20.911 1.00 0.00 H new ATOM 990 N HIS A 78 25.852 16.376 24.349 1.00 0.00 N ATOM 991 CA HIS A 78 26.941 16.714 25.212 1.00 0.00 C ATOM 992 C HIS A 78 28.225 16.061 24.834 1.00 0.00 C ATOM 993 O HIS A 78 29.251 16.718 24.663 1.00 0.00 O ATOM 994 CB HIS A 78 26.608 16.326 26.663 1.00 0.00 C ATOM 995 CG HIS A 78 27.648 16.700 27.677 1.00 0.00 C ATOM 996 ND1 HIS A 78 27.940 15.931 28.785 1.00 0.00 N ATOM 997 CD2 HIS A 78 28.429 17.808 27.785 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.885 16.602 29.495 1.00 0.00 C ATOM 999 NE2 HIS A 78 29.200 17.753 28.929 1.00 0.00 N ATOM 0 H HIS A 78 25.045 16.028 24.866 1.00 0.00 H new ATOM 0 HA HIS A 78 27.076 17.791 25.112 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.665 16.797 26.941 1.00 0.00 H new ATOM 0 HB3 HIS A 78 26.451 15.248 26.707 1.00 0.00 H new ATOM 0 HD2 HIS A 78 28.444 18.620 27.073 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.325 16.238 30.412 1.00 0.00 H new ATOM 0 HE2 HIS A 78 29.867 18.449 29.264 1.00 0.00 H new ATOM 1007 N LYS A 79 28.193 14.731 24.638 1.00 0.00 N ATOM 1008 CA LYS A 79 29.290 13.933 24.186 1.00 0.00 C ATOM 1009 C LYS A 79 29.862 14.380 22.885 1.00 0.00 C ATOM 1010 O LYS A 79 31.080 14.470 22.743 1.00 0.00 O ATOM 1011 CB LYS A 79 28.886 12.451 24.111 1.00 0.00 C ATOM 1012 CG LYS A 79 29.201 11.640 25.370 1.00 0.00 C ATOM 1013 CD LYS A 79 28.410 12.023 26.624 1.00 0.00 C ATOM 1014 CE LYS A 79 28.856 11.293 27.893 1.00 0.00 C ATOM 1015 NZ LYS A 79 28.600 9.837 27.812 1.00 0.00 N ATOM 0 H LYS A 79 27.351 14.180 24.805 1.00 0.00 H new ATOM 0 HA LYS A 79 30.079 14.062 24.926 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.816 12.389 23.913 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.394 11.992 23.263 1.00 0.00 H new ATOM 0 HG2 LYS A 79 29.019 10.587 25.156 1.00 0.00 H new ATOM 0 HG3 LYS A 79 30.264 11.742 25.589 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.502 13.097 26.784 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.354 11.816 26.451 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.920 11.466 28.056 1.00 0.00 H new ATOM 0 HE3 LYS A 79 28.330 11.707 28.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 28.916 9.380 28.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.582 9.670 27.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.122 9.437 27.006 1.00 0.00 H new ATOM 1029 N GLN A 80 29.018 14.726 21.897 1.00 0.00 N ATOM 1030 CA GLN A 80 29.381 15.094 20.563 1.00 0.00 C ATOM 1031 C GLN A 80 30.345 16.227 20.483 1.00 0.00 C ATOM 1032 O GLN A 80 31.364 16.171 19.796 1.00 0.00 O ATOM 1033 CB GLN A 80 28.081 15.455 19.828 1.00 0.00 C ATOM 1034 CG GLN A 80 28.005 15.081 18.345 1.00 0.00 C ATOM 1035 CD GLN A 80 29.104 15.693 17.489 1.00 0.00 C ATOM 1036 OE1 GLN A 80 29.966 15.001 16.948 1.00 0.00 O ATOM 1037 NE2 GLN A 80 29.065 17.044 17.336 1.00 0.00 N ATOM 0 H GLN A 80 28.009 14.750 22.042 1.00 0.00 H new ATOM 0 HA GLN A 80 29.898 14.251 20.106 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.252 14.971 20.344 1.00 0.00 H new ATOM 0 HB3 GLN A 80 27.927 16.530 19.916 1.00 0.00 H new ATOM 0 HG2 GLN A 80 28.050 13.996 18.253 1.00 0.00 H new ATOM 0 HG3 GLN A 80 27.038 15.394 17.952 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.337 17.589 17.798 1.00 0.00 H new ATOM 0 HE22 GLN A 80 29.764 17.512 16.759 1.00 0.00 H new ATOM 1046 N ALA A 81 30.069 17.300 21.245 1.00 0.00 N ATOM 1047 CA ALA A 81 30.909 18.446 21.412 1.00 0.00 C ATOM 1048 C ALA A 81 32.241 18.117 21.992 1.00 0.00 C ATOM 1049 O ALA A 81 33.274 18.556 21.489 1.00 0.00 O ATOM 1050 CB ALA A 81 30.180 19.444 22.327 1.00 0.00 C ATOM 0 H ALA A 81 29.203 17.371 21.779 1.00 0.00 H new ATOM 0 HA ALA A 81 31.099 18.870 20.426 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.802 20.328 22.470 1.00 0.00 H new ATOM 0 HB2 ALA A 81 29.235 19.735 21.868 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.986 18.977 23.293 1.00 0.00 H new ATOM 1056 N VAL A 82 32.284 17.288 23.051 1.00 0.00 N ATOM 1057 CA VAL A 82 33.475 16.880 23.730 1.00 0.00 C ATOM 1058 C VAL A 82 34.344 16.038 22.861 1.00 0.00 C ATOM 1059 O VAL A 82 35.555 16.250 22.803 1.00 0.00 O ATOM 1060 CB VAL A 82 33.185 16.164 25.016 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.477 15.688 25.698 1.00 0.00 C ATOM 1062 CG2 VAL A 82 32.436 17.124 25.956 1.00 0.00 C ATOM 0 H VAL A 82 31.441 16.880 23.455 1.00 0.00 H new ATOM 0 HA VAL A 82 34.011 17.797 23.973 1.00 0.00 H new ATOM 0 HB VAL A 82 32.578 15.286 24.797 1.00 0.00 H new ATOM 0 HG11 VAL A 82 34.230 15.174 26.627 1.00 0.00 H new ATOM 0 HG12 VAL A 82 35.008 15.005 25.035 1.00 0.00 H new ATOM 0 HG13 VAL A 82 35.111 16.547 25.917 1.00 0.00 H new ATOM 0 HG21 VAL A 82 32.218 16.617 26.896 1.00 0.00 H new ATOM 0 HG22 VAL A 82 33.056 17.999 26.151 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.503 17.437 25.488 1.00 0.00 H new ATOM 1072 N GLU A 83 33.773 15.079 22.112 1.00 0.00 N ATOM 1073 CA GLU A 83 34.507 14.255 21.202 1.00 0.00 C ATOM 1074 C GLU A 83 35.208 15.036 20.144 1.00 0.00 C ATOM 1075 O GLU A 83 36.378 14.805 19.844 1.00 0.00 O ATOM 1076 CB GLU A 83 33.643 13.200 20.493 1.00 0.00 C ATOM 1077 CG GLU A 83 32.983 12.156 21.396 1.00 0.00 C ATOM 1078 CD GLU A 83 33.918 11.179 22.094 1.00 0.00 C ATOM 1079 OE1 GLU A 83 35.135 11.084 21.782 1.00 0.00 O ATOM 1080 OE2 GLU A 83 33.397 10.440 22.970 1.00 0.00 O ATOM 0 H GLU A 83 32.775 14.870 22.139 1.00 0.00 H new ATOM 0 HA GLU A 83 35.234 13.758 21.845 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.861 13.715 19.935 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.265 12.680 19.764 1.00 0.00 H new ATOM 0 HG2 GLU A 83 32.405 12.679 22.158 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.276 11.583 20.796 1.00 0.00 H new ATOM 1087 N THR A 84 34.518 16.033 19.562 1.00 0.00 N ATOM 1088 CA THR A 84 35.060 16.924 18.583 1.00 0.00 C ATOM 1089 C THR A 84 36.031 17.908 19.140 1.00 0.00 C ATOM 1090 O THR A 84 37.040 18.184 18.494 1.00 0.00 O ATOM 1091 CB THR A 84 33.990 17.523 17.719 1.00 0.00 C ATOM 1092 OG1 THR A 84 33.922 16.849 16.470 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.168 19.012 17.381 1.00 0.00 C ATOM 0 H THR A 84 33.541 16.227 19.783 1.00 0.00 H new ATOM 0 HA THR A 84 35.671 16.318 17.914 1.00 0.00 H new ATOM 0 HB THR A 84 33.089 17.413 18.322 1.00 0.00 H new ATOM 0 HG1 THR A 84 33.218 17.251 15.919 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.341 19.344 16.753 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.181 19.595 18.302 1.00 0.00 H new ATOM 0 HG23 THR A 84 35.108 19.154 16.848 1.00 0.00 H new ATOM 1101 N LEU A 85 35.846 18.441 20.360 1.00 0.00 N ATOM 1102 CA LEU A 85 36.825 19.245 21.026 1.00 0.00 C ATOM 1103 C LEU A 85 38.093 18.539 21.358 1.00 0.00 C ATOM 1104 O LEU A 85 39.178 19.117 21.310 1.00 0.00 O ATOM 1105 CB LEU A 85 36.270 19.819 22.341 1.00 0.00 C ATOM 1106 CG LEU A 85 35.240 20.944 22.143 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.480 21.176 23.460 1.00 0.00 C ATOM 1108 CD2 LEU A 85 35.898 22.237 21.633 1.00 0.00 C ATOM 0 H LEU A 85 34.991 18.310 20.900 1.00 0.00 H new ATOM 0 HA LEU A 85 37.053 20.028 20.303 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.808 19.013 22.912 1.00 0.00 H new ATOM 0 HB3 LEU A 85 37.099 20.199 22.939 1.00 0.00 H new ATOM 0 HG LEU A 85 34.530 20.638 21.375 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.749 21.973 23.323 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.967 20.259 23.750 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.185 21.461 24.241 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.137 23.007 21.506 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.641 22.576 22.355 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.383 22.045 20.676 1.00 0.00 H new ATOM 1120 N ARG A 86 38.033 17.243 21.717 1.00 0.00 N ATOM 1121 CA ARG A 86 39.193 16.430 21.919 1.00 0.00 C ATOM 1122 C ARG A 86 39.882 16.100 20.640 1.00 0.00 C ATOM 1123 O ARG A 86 41.107 16.000 20.590 1.00 0.00 O ATOM 1124 CB ARG A 86 38.817 15.170 22.714 1.00 0.00 C ATOM 1125 CG ARG A 86 38.560 15.442 24.198 1.00 0.00 C ATOM 1126 CD ARG A 86 38.205 14.162 24.957 1.00 0.00 C ATOM 1127 NE ARG A 86 37.868 14.528 26.362 1.00 0.00 N ATOM 1128 CZ ARG A 86 37.135 13.724 27.187 1.00 0.00 C ATOM 1129 NH1 ARG A 86 36.758 12.459 26.839 1.00 0.00 N ATOM 1130 NH2 ARG A 86 36.733 14.187 28.406 1.00 0.00 N ATOM 0 H ARG A 86 37.155 16.748 21.871 1.00 0.00 H new ATOM 0 HA ARG A 86 39.912 17.004 22.504 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.925 14.725 22.274 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.619 14.437 22.620 1.00 0.00 H new ATOM 0 HG2 ARG A 86 39.446 15.895 24.643 1.00 0.00 H new ATOM 0 HG3 ARG A 86 37.748 16.162 24.300 1.00 0.00 H new ATOM 0 HD2 ARG A 86 37.361 13.661 24.483 1.00 0.00 H new ATOM 0 HD3 ARG A 86 39.042 13.464 24.937 1.00 0.00 H new ATOM 0 HE ARG A 86 38.201 15.422 26.724 1.00 0.00 H new ATOM 0 HH11 ARG A 86 37.024 12.079 25.930 1.00 0.00 H new ATOM 0 HH12 ARG A 86 36.210 11.893 27.488 1.00 0.00 H new ATOM 0 HH21 ARG A 86 36.980 15.132 28.699 1.00 0.00 H new ATOM 0 HH22 ARG A 86 36.185 13.588 29.024 1.00 0.00 H new ATOM 1144 N ASN A 87 39.138 15.990 19.525 1.00 0.00 N ATOM 1145 CA ASN A 87 39.636 15.790 18.199 1.00 0.00 C ATOM 1146 C ASN A 87 40.019 17.066 17.532 1.00 0.00 C ATOM 1147 O ASN A 87 39.635 17.357 16.401 1.00 0.00 O ATOM 1148 CB ASN A 87 38.556 15.042 17.402 1.00 0.00 C ATOM 1149 CG ASN A 87 39.091 14.306 16.181 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.243 14.440 15.772 1.00 0.00 O ATOM 1151 ND2 ASN A 87 38.214 13.465 15.569 1.00 0.00 N ATOM 0 H ASN A 87 38.120 16.045 19.553 1.00 0.00 H new ATOM 0 HA ASN A 87 40.553 15.202 18.244 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.064 14.325 18.059 1.00 0.00 H new ATOM 0 HB3 ASN A 87 37.796 15.754 17.081 1.00 0.00 H new ATOM 0 HD21 ASN A 87 38.507 12.929 14.752 1.00 0.00 H new ATOM 0 HD22 ASN A 87 37.264 13.371 15.927 1.00 0.00 H new ATOM 1158 N THR A 88 40.825 17.897 18.217 1.00 0.00 N ATOM 1159 CA THR A 88 41.322 19.152 17.742 1.00 0.00 C ATOM 1160 C THR A 88 42.767 19.054 17.392 1.00 0.00 C ATOM 1161 O THR A 88 43.468 18.124 17.790 1.00 0.00 O ATOM 1162 CB THR A 88 41.147 20.284 18.710 1.00 0.00 C ATOM 1163 OG1 THR A 88 41.488 19.928 20.042 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.676 20.733 18.695 1.00 0.00 C ATOM 0 H THR A 88 41.149 17.679 19.159 1.00 0.00 H new ATOM 0 HA THR A 88 40.721 19.375 16.860 1.00 0.00 H new ATOM 0 HB THR A 88 41.818 21.083 18.394 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.670 19.759 20.555 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.540 21.556 19.396 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.406 21.063 17.692 1.00 0.00 H new ATOM 0 HG23 THR A 88 39.038 19.899 18.986 1.00 0.00 H new ATOM 1172 N GLY A 89 43.263 20.052 16.638 1.00 0.00 N ATOM 1173 CA GLY A 89 44.655 20.318 16.453 1.00 0.00 C ATOM 1174 C GLY A 89 45.049 21.449 17.341 1.00 0.00 C ATOM 1175 O GLY A 89 44.273 21.852 18.206 1.00 0.00 O ATOM 0 H GLY A 89 42.663 20.705 16.133 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.243 19.431 16.688 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.857 20.568 15.411 1.00 0.00 H new ATOM 1179 N GLN A 90 46.258 22.009 17.163 1.00 0.00 N ATOM 1180 CA GLN A 90 46.793 23.039 17.999 1.00 0.00 C ATOM 1181 C GLN A 90 46.083 24.343 17.872 1.00 0.00 C ATOM 1182 O GLN A 90 45.716 24.952 18.875 1.00 0.00 O ATOM 1183 CB GLN A 90 48.306 23.191 17.769 1.00 0.00 C ATOM 1184 CG GLN A 90 49.094 23.824 18.917 1.00 0.00 C ATOM 1185 CD GLN A 90 49.132 25.346 18.895 1.00 0.00 C ATOM 1186 OE1 GLN A 90 49.208 25.997 17.854 1.00 0.00 O ATOM 1187 NE2 GLN A 90 49.146 25.968 20.104 1.00 0.00 N ATOM 0 H GLN A 90 46.887 21.735 16.409 1.00 0.00 H new ATOM 0 HA GLN A 90 46.626 22.720 19.028 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.724 22.205 17.567 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.459 23.792 16.873 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.659 23.498 19.862 1.00 0.00 H new ATOM 0 HG3 GLN A 90 50.117 23.447 18.890 1.00 0.00 H new ATOM 0 HE21 GLN A 90 49.082 25.419 20.961 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.220 26.984 20.154 1.00 0.00 H new ATOM 1196 N VAL A 91 45.820 24.803 16.636 1.00 0.00 N ATOM 1197 CA VAL A 91 45.006 25.949 16.376 1.00 0.00 C ATOM 1198 C VAL A 91 43.611 25.521 16.077 1.00 0.00 C ATOM 1199 O VAL A 91 43.327 24.779 15.137 1.00 0.00 O ATOM 1200 CB VAL A 91 45.527 26.824 15.273 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.695 28.113 15.165 1.00 0.00 C ATOM 1202 CG2 VAL A 91 46.990 27.195 15.570 1.00 0.00 C ATOM 0 H VAL A 91 46.185 24.364 15.791 1.00 0.00 H new ATOM 0 HA VAL A 91 45.030 26.557 17.281 1.00 0.00 H new ATOM 0 HB VAL A 91 45.458 26.279 14.332 1.00 0.00 H new ATOM 0 HG11 VAL A 91 45.088 28.734 14.360 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.656 27.859 14.953 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.750 28.661 16.106 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.373 27.831 14.772 1.00 0.00 H new ATOM 0 HG22 VAL A 91 47.044 27.730 16.518 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.590 26.287 15.631 1.00 0.00 H new ATOM 1212 N VAL A 92 42.661 25.968 16.917 1.00 0.00 N ATOM 1213 CA VAL A 92 41.298 25.541 16.983 1.00 0.00 C ATOM 1214 C VAL A 92 40.398 26.620 16.489 1.00 0.00 C ATOM 1215 O VAL A 92 40.359 27.712 17.056 1.00 0.00 O ATOM 1216 CB VAL A 92 40.975 25.205 18.409 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.498 24.814 18.584 1.00 0.00 C ATOM 1218 CG2 VAL A 92 41.844 23.993 18.783 1.00 0.00 C ATOM 0 H VAL A 92 42.866 26.690 17.608 1.00 0.00 H new ATOM 0 HA VAL A 92 41.151 24.663 16.354 1.00 0.00 H new ATOM 0 HB VAL A 92 41.166 26.074 19.039 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.306 24.578 19.631 1.00 0.00 H new ATOM 0 HG12 VAL A 92 38.863 25.645 18.276 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.277 23.942 17.969 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.645 23.708 19.816 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.607 23.158 18.124 1.00 0.00 H new ATOM 0 HG23 VAL A 92 42.897 24.253 18.674 1.00 0.00 H new ATOM 1228 N HIS A 93 39.626 26.381 15.414 1.00 0.00 N ATOM 1229 CA HIS A 93 38.737 27.348 14.849 1.00 0.00 C ATOM 1230 C HIS A 93 37.320 27.107 15.239 1.00 0.00 C ATOM 1231 O HIS A 93 36.620 26.331 14.591 1.00 0.00 O ATOM 1232 CB HIS A 93 38.795 27.330 13.313 1.00 0.00 C ATOM 1233 CG HIS A 93 40.155 27.503 12.705 1.00 0.00 C ATOM 1234 ND1 HIS A 93 40.379 27.319 11.355 1.00 0.00 N ATOM 1235 CD2 HIS A 93 41.369 27.797 13.241 1.00 0.00 C ATOM 1236 CE1 HIS A 93 41.708 27.507 11.139 1.00 0.00 C ATOM 1237 NE2 HIS A 93 42.343 27.782 12.263 1.00 0.00 N ATOM 0 H HIS A 93 39.620 25.487 14.923 1.00 0.00 H new ATOM 0 HA HIS A 93 39.068 28.311 15.237 1.00 0.00 H new ATOM 0 HB2 HIS A 93 38.381 26.384 12.964 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.147 28.121 12.935 1.00 0.00 H new ATOM 0 HD2 HIS A 93 41.546 28.012 14.284 1.00 0.00 H new ATOM 0 HE1 HIS A 93 42.183 27.440 10.172 1.00 0.00 H new ATOM 0 HE2 HIS A 93 43.342 27.948 12.383 1.00 0.00 H new ATOM 1245 N LEU A 94 36.790 27.746 16.298 1.00 0.00 N ATOM 1246 CA LEU A 94 35.406 27.669 16.652 1.00 0.00 C ATOM 1247 C LEU A 94 34.666 28.846 16.113 1.00 0.00 C ATOM 1248 O LEU A 94 35.167 29.968 16.135 1.00 0.00 O ATOM 1249 CB LEU A 94 35.237 27.590 18.178 1.00 0.00 C ATOM 1250 CG LEU A 94 33.848 27.877 18.774 1.00 0.00 C ATOM 1251 CD1 LEU A 94 32.820 26.819 18.341 1.00 0.00 C ATOM 1252 CD2 LEU A 94 33.915 27.911 20.310 1.00 0.00 C ATOM 0 H LEU A 94 37.340 28.333 16.926 1.00 0.00 H new ATOM 0 HA LEU A 94 34.992 26.762 16.212 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.534 26.590 18.494 1.00 0.00 H new ATOM 0 HB3 LEU A 94 35.942 28.289 18.627 1.00 0.00 H new ATOM 0 HG LEU A 94 33.531 28.850 18.398 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.850 27.053 18.780 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.735 26.817 17.254 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.145 25.836 18.681 1.00 0.00 H new ATOM 0 HD21 LEU A 94 32.923 28.115 20.713 1.00 0.00 H new ATOM 0 HD22 LEU A 94 34.266 26.948 20.680 1.00 0.00 H new ATOM 0 HD23 LEU A 94 34.604 28.694 20.627 1.00 0.00 H new ATOM 1264 N LEU A 95 33.425 28.674 15.625 1.00 0.00 N ATOM 1265 CA LEU A 95 32.502 29.749 15.431 1.00 0.00 C ATOM 1266 C LEU A 95 31.471 29.697 16.505 1.00 0.00 C ATOM 1267 O LEU A 95 30.915 28.634 16.777 1.00 0.00 O ATOM 1268 CB LEU A 95 31.880 29.636 14.028 1.00 0.00 C ATOM 1269 CG LEU A 95 31.023 30.827 13.567 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.171 30.998 12.045 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.538 30.656 13.928 1.00 0.00 C ATOM 0 H LEU A 95 33.053 27.763 15.358 1.00 0.00 H new ATOM 0 HA LEU A 95 33.007 30.713 15.493 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.685 29.494 13.307 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.263 28.738 13.998 1.00 0.00 H new ATOM 0 HG LEU A 95 31.381 31.715 14.088 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.565 31.841 11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 95 32.217 31.184 11.800 1.00 0.00 H new ATOM 0 HD13 LEU A 95 30.836 30.091 11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.977 31.524 13.581 1.00 0.00 H new ATOM 0 HD22 LEU A 95 29.149 29.757 13.450 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.434 30.566 15.009 1.00 0.00 H new ATOM 1283 N LEU A 96 31.189 30.819 17.190 1.00 0.00 N ATOM 1284 CA LEU A 96 30.225 30.862 18.246 1.00 0.00 C ATOM 1285 C LEU A 96 29.320 32.042 18.147 1.00 0.00 C ATOM 1286 O LEU A 96 29.572 32.995 17.411 1.00 0.00 O ATOM 1287 CB LEU A 96 30.857 30.741 19.641 1.00 0.00 C ATOM 1288 CG LEU A 96 31.759 31.893 20.118 1.00 0.00 C ATOM 1289 CD1 LEU A 96 30.976 32.972 20.885 1.00 0.00 C ATOM 1290 CD2 LEU A 96 32.872 31.352 21.032 1.00 0.00 C ATOM 0 H LEU A 96 31.640 31.715 17.007 1.00 0.00 H new ATOM 0 HA LEU A 96 29.605 29.976 18.112 1.00 0.00 H new ATOM 0 HB2 LEU A 96 30.051 30.623 20.366 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.444 29.823 19.665 1.00 0.00 H new ATOM 0 HG LEU A 96 32.184 32.349 19.224 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.658 33.762 21.200 1.00 0.00 H new ATOM 0 HD12 LEU A 96 30.207 33.393 20.237 1.00 0.00 H new ATOM 0 HD13 LEU A 96 30.507 32.527 21.762 1.00 0.00 H new ATOM 0 HD21 LEU A 96 33.504 32.176 21.363 1.00 0.00 H new ATOM 0 HD22 LEU A 96 32.426 30.865 21.899 1.00 0.00 H new ATOM 0 HD23 LEU A 96 33.476 30.630 20.482 1.00 0.00 H new ATOM 1302 N GLU A 97 28.213 32.001 18.911 1.00 0.00 N ATOM 1303 CA GLU A 97 27.236 33.038 19.038 1.00 0.00 C ATOM 1304 C GLU A 97 27.277 33.591 20.420 1.00 0.00 C ATOM 1305 O GLU A 97 27.432 32.869 21.405 1.00 0.00 O ATOM 1306 CB GLU A 97 25.831 32.488 18.737 1.00 0.00 C ATOM 1307 CG GLU A 97 24.701 33.518 18.794 1.00 0.00 C ATOM 1308 CD GLU A 97 23.342 32.929 18.439 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.126 32.570 17.251 1.00 0.00 O ATOM 1310 OE2 GLU A 97 22.460 32.850 19.335 1.00 0.00 O ATOM 0 H GLU A 97 27.986 31.185 19.479 1.00 0.00 H new ATOM 0 HA GLU A 97 27.461 33.829 18.322 1.00 0.00 H new ATOM 0 HB2 GLU A 97 25.840 32.037 17.745 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.611 31.691 19.447 1.00 0.00 H new ATOM 0 HG2 GLU A 97 24.656 33.945 19.796 1.00 0.00 H new ATOM 0 HG3 GLU A 97 24.927 34.336 18.109 1.00 0.00 H new ATOM 1317 N LYS A 98 27.098 34.917 20.563 1.00 0.00 N ATOM 1318 CA LYS A 98 27.088 35.593 21.822 1.00 0.00 C ATOM 1319 C LYS A 98 25.792 35.389 22.529 1.00 0.00 C ATOM 1320 O LYS A 98 24.720 35.703 22.015 1.00 0.00 O ATOM 1321 CB LYS A 98 27.313 37.099 21.605 1.00 0.00 C ATOM 1322 CG LYS A 98 28.262 37.775 22.597 1.00 0.00 C ATOM 1323 CD LYS A 98 27.902 37.710 24.083 1.00 0.00 C ATOM 1324 CE LYS A 98 29.156 37.882 24.943 1.00 0.00 C ATOM 1325 NZ LYS A 98 29.130 37.037 26.157 1.00 0.00 N ATOM 0 H LYS A 98 26.955 35.542 19.770 1.00 0.00 H new ATOM 0 HA LYS A 98 27.889 35.180 22.435 1.00 0.00 H new ATOM 0 HB2 LYS A 98 27.702 37.249 20.598 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.348 37.603 21.652 1.00 0.00 H new ATOM 0 HG2 LYS A 98 29.250 37.332 22.472 1.00 0.00 H new ATOM 0 HG3 LYS A 98 28.346 38.825 22.318 1.00 0.00 H new ATOM 0 HD2 LYS A 98 27.179 38.489 24.323 1.00 0.00 H new ATOM 0 HD3 LYS A 98 27.427 36.755 24.307 1.00 0.00 H new ATOM 0 HE2 LYS A 98 30.036 37.634 24.350 1.00 0.00 H new ATOM 0 HE3 LYS A 98 29.252 38.928 25.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 30.101 36.767 26.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 28.701 37.569 26.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 28.570 36.181 25.972 1.00 0.00 H new