USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -60:sc= 1.41 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 1.2 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0407) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.63 (180deg=1.41) USER MOD Single : A 2 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 2.16 (180deg=2.09) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 1.04 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.82) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.32) USER MOD Single : A 41 GLN : amide:sc= 1.44 K(o=1.4,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.00291 (180deg=-0.133) USER MOD Single : A 49 GLN : amide:sc= 0.803 K(o=0.8,f=-3.3!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.273 USER MOD Single : A 60 ASN : amide:sc= -0.0289 K(o=-0.029,f=-0.73) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.409 51.848 20.214 1.00 0.00 N ATOM 2 CA MET A 1 32.767 52.047 21.627 1.00 0.00 C ATOM 3 C MET A 1 34.233 52.459 21.763 1.00 0.00 C ATOM 4 O MET A 1 35.072 51.988 20.999 1.00 0.00 O ATOM 5 CB MET A 1 32.439 50.829 22.486 1.00 0.00 C ATOM 6 CG MET A 1 33.316 49.609 22.218 1.00 0.00 C ATOM 7 SD MET A 1 32.873 48.156 23.201 1.00 0.00 S ATOM 8 CE MET A 1 34.217 47.042 22.718 1.00 0.00 C ATOM 0 H1 MET A 1 31.483 51.378 20.153 1.00 0.00 H new ATOM 0 H2 MET A 1 32.361 52.770 19.735 1.00 0.00 H new ATOM 0 H3 MET A 1 33.129 51.255 19.754 1.00 0.00 H new ATOM 0 HA MET A 1 32.152 52.863 22.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.534 51.105 23.536 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.397 50.555 22.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.252 49.353 21.160 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.355 49.869 22.420 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.036 46.051 23.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.262 46.976 21.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.163 47.427 23.098 1.00 0.00 H new ATOM 20 N GLN A 2 34.560 53.300 22.740 1.00 0.00 N ATOM 21 CA GLN A 2 35.923 53.682 23.045 1.00 0.00 C ATOM 22 C GLN A 2 36.604 52.678 23.978 1.00 0.00 C ATOM 23 O GLN A 2 35.996 52.238 24.951 1.00 0.00 O ATOM 24 CB GLN A 2 35.962 55.096 23.617 1.00 0.00 C ATOM 25 CG GLN A 2 37.370 55.545 24.001 1.00 0.00 C ATOM 26 CD GLN A 2 37.462 57.048 24.272 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.107 57.798 23.542 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.847 57.555 25.336 1.00 0.00 N ATOM 0 H GLN A 2 33.869 53.739 23.348 1.00 0.00 H new ATOM 0 HA GLN A 2 36.489 53.674 22.114 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.553 55.790 22.883 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.319 55.145 24.496 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.690 55.000 24.889 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.061 55.282 23.200 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.308 56.946 25.952 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.914 58.553 25.537 1.00 0.00 H new ATOM 37 N ILE A 3 37.879 52.389 23.732 1.00 0.00 N ATOM 38 CA ILE A 3 38.776 51.685 24.627 1.00 0.00 C ATOM 39 C ILE A 3 40.114 52.417 24.748 1.00 0.00 C ATOM 40 O ILE A 3 40.430 53.301 23.955 1.00 0.00 O ATOM 41 CB ILE A 3 38.968 50.227 24.217 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.631 50.083 22.850 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.652 49.458 24.289 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.142 48.674 22.561 1.00 0.00 C ATOM 0 H ILE A 3 38.332 52.655 22.858 1.00 0.00 H new ATOM 0 HA ILE A 3 38.310 51.674 25.612 1.00 0.00 H new ATOM 0 HB ILE A 3 39.656 49.784 24.937 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.916 50.366 22.078 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.464 50.783 22.785 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.819 48.423 23.992 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.270 49.485 25.309 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.926 49.916 23.617 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.600 48.649 21.572 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.882 48.394 23.311 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.309 47.971 22.593 1.00 0.00 H new ATOM 56 N PHE A 4 40.931 52.009 25.715 1.00 0.00 N ATOM 57 CA PHE A 4 42.236 52.567 26.008 1.00 0.00 C ATOM 58 C PHE A 4 43.317 51.484 26.027 1.00 0.00 C ATOM 59 O PHE A 4 43.062 50.354 26.437 1.00 0.00 O ATOM 60 CB PHE A 4 42.191 53.288 27.352 1.00 0.00 C ATOM 61 CG PHE A 4 41.017 54.214 27.557 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.808 55.280 26.674 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.123 54.004 28.615 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.719 56.142 26.848 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.026 54.857 28.784 1.00 0.00 C ATOM 66 CZ PHE A 4 38.821 55.922 27.899 1.00 0.00 C ATOM 0 H PHE A 4 40.684 51.244 26.342 1.00 0.00 H new ATOM 0 HA PHE A 4 42.491 53.275 25.219 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.184 52.540 28.145 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.109 53.864 27.466 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.492 55.438 25.853 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.280 53.184 29.300 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.572 56.973 26.174 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.336 54.693 29.599 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.970 56.574 28.027 1.00 0.00 H new ATOM 76 N VAL A 5 44.533 51.835 25.619 1.00 0.00 N ATOM 77 CA VAL A 5 45.716 50.999 25.655 1.00 0.00 C ATOM 78 C VAL A 5 46.816 51.693 26.464 1.00 0.00 C ATOM 79 O VAL A 5 47.051 52.884 26.278 1.00 0.00 O ATOM 80 CB VAL A 5 46.190 50.646 24.248 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.381 49.692 24.274 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.092 49.975 23.430 1.00 0.00 C ATOM 0 H VAL A 5 44.724 52.761 25.235 1.00 0.00 H new ATOM 0 HA VAL A 5 45.466 50.059 26.148 1.00 0.00 H new ATOM 0 HB VAL A 5 46.474 51.594 23.791 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.688 49.465 23.253 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.209 50.159 24.807 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.097 48.770 24.781 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.471 49.740 22.435 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.779 49.056 23.925 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.239 50.649 23.344 1.00 0.00 H new ATOM 92 N LYS A 6 47.478 50.957 27.353 1.00 0.00 N ATOM 93 CA LYS A 6 48.527 51.430 28.232 1.00 0.00 C ATOM 94 C LYS A 6 49.754 50.517 28.196 1.00 0.00 C ATOM 95 O LYS A 6 49.603 49.307 28.037 1.00 0.00 O ATOM 96 CB LYS A 6 47.941 51.541 29.636 1.00 0.00 C ATOM 97 CG LYS A 6 48.855 52.254 30.630 1.00 0.00 C ATOM 98 CD LYS A 6 48.277 52.223 32.042 1.00 0.00 C ATOM 99 CE LYS A 6 49.243 52.935 32.986 1.00 0.00 C ATOM 100 NZ LYS A 6 48.857 52.768 34.396 1.00 0.00 N ATOM 0 H LYS A 6 47.282 49.964 27.481 1.00 0.00 H new ATOM 0 HA LYS A 6 48.879 52.407 27.899 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.992 52.074 29.582 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.724 50.540 30.009 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.837 51.781 30.627 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.999 53.288 30.317 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.302 52.711 32.061 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.125 51.193 32.365 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.250 52.545 32.837 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.273 53.997 32.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.538 53.266 35.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.907 53.163 34.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.853 51.756 34.637 1.00 0.00 H new ATOM 114 N THR A 7 50.946 51.074 28.381 1.00 0.00 N ATOM 115 CA THR A 7 52.192 50.355 28.559 1.00 0.00 C ATOM 116 C THR A 7 52.881 50.714 29.878 1.00 0.00 C ATOM 117 O THR A 7 52.638 51.770 30.457 1.00 0.00 O ATOM 118 CB THR A 7 53.163 50.580 27.404 1.00 0.00 C ATOM 119 OG1 THR A 7 53.474 51.948 27.262 1.00 0.00 O ATOM 120 CG2 THR A 7 52.641 50.080 26.060 1.00 0.00 C ATOM 0 H THR A 7 51.070 52.086 28.412 1.00 0.00 H new ATOM 0 HA THR A 7 51.919 49.300 28.581 1.00 0.00 H new ATOM 0 HB THR A 7 54.049 50.001 27.666 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.099 52.066 26.516 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.384 50.273 25.286 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.450 49.009 26.120 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.716 50.600 25.813 1.00 0.00 H new ATOM 128 N LEU A 8 53.793 49.863 30.338 1.00 0.00 N ATOM 129 CA LEU A 8 54.539 50.037 31.569 1.00 0.00 C ATOM 130 C LEU A 8 55.432 51.279 31.587 1.00 0.00 C ATOM 131 O LEU A 8 55.800 51.735 32.667 1.00 0.00 O ATOM 132 CB LEU A 8 55.354 48.776 31.839 1.00 0.00 C ATOM 133 CG LEU A 8 54.531 47.520 32.110 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.438 46.294 32.177 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.754 47.602 33.420 1.00 0.00 C ATOM 0 H LEU A 8 54.038 49.005 29.843 1.00 0.00 H new ATOM 0 HA LEU A 8 53.812 50.199 32.365 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.001 48.590 30.982 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.003 48.958 32.695 1.00 0.00 H new ATOM 0 HG LEU A 8 53.822 47.436 31.286 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.836 45.406 32.371 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.962 46.177 31.229 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.164 46.422 32.980 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.186 46.683 33.564 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.450 47.732 34.249 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.070 48.450 33.385 1.00 0.00 H new ATOM 147 N THR A 9 55.765 51.847 30.432 1.00 0.00 N ATOM 148 CA THR A 9 56.667 52.971 30.281 1.00 0.00 C ATOM 149 C THR A 9 56.132 54.098 29.397 1.00 0.00 C ATOM 150 O THR A 9 56.890 54.999 29.045 1.00 0.00 O ATOM 151 CB THR A 9 58.031 52.504 29.779 1.00 0.00 C ATOM 152 OG1 THR A 9 57.900 51.798 28.566 1.00 0.00 O ATOM 153 CG2 THR A 9 58.741 51.572 30.757 1.00 0.00 C ATOM 0 H THR A 9 55.394 51.518 29.540 1.00 0.00 H new ATOM 0 HA THR A 9 56.765 53.399 31.279 1.00 0.00 H new ATOM 0 HB THR A 9 58.619 53.413 29.656 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.784 51.508 28.259 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.705 51.275 30.343 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.897 52.089 31.704 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.129 50.685 30.924 1.00 0.00 H new ATOM 161 N GLY A 10 54.856 54.082 29.019 1.00 0.00 N ATOM 162 CA GLY A 10 54.261 55.027 28.096 1.00 0.00 C ATOM 163 C GLY A 10 52.871 55.521 28.501 1.00 0.00 C ATOM 164 O GLY A 10 52.172 54.881 29.284 1.00 0.00 O ATOM 0 H GLY A 10 54.193 53.387 29.361 1.00 0.00 H new ATOM 0 HA2 GLY A 10 54.924 55.887 27.999 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.195 54.562 27.112 1.00 0.00 H new ATOM 168 N LYS A 11 52.470 56.672 27.970 1.00 0.00 N ATOM 169 CA LYS A 11 51.179 57.293 28.188 1.00 0.00 C ATOM 170 C LYS A 11 50.054 56.546 27.467 1.00 0.00 C ATOM 171 O LYS A 11 50.300 55.849 26.485 1.00 0.00 O ATOM 172 CB LYS A 11 51.271 58.758 27.771 1.00 0.00 C ATOM 173 CG LYS A 11 50.192 59.653 28.375 1.00 0.00 C ATOM 174 CD LYS A 11 50.285 61.081 27.843 1.00 0.00 C ATOM 175 CE LYS A 11 49.336 62.028 28.572 1.00 0.00 C ATOM 176 NZ LYS A 11 49.830 62.388 29.910 1.00 0.00 N ATOM 0 H LYS A 11 53.067 57.217 27.349 1.00 0.00 H new ATOM 0 HA LYS A 11 50.923 57.242 29.246 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.249 59.144 28.058 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.210 58.819 26.684 1.00 0.00 H new ATOM 0 HG2 LYS A 11 49.208 59.242 28.147 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.291 59.661 29.461 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.308 61.441 27.949 1.00 0.00 H new ATOM 0 HD3 LYS A 11 50.054 61.086 26.778 1.00 0.00 H new ATOM 0 HE2 LYS A 11 49.203 62.933 27.980 1.00 0.00 H new ATOM 0 HE3 LYS A 11 48.356 61.559 28.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 49.154 63.032 30.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 49.933 61.528 30.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.753 62.859 29.824 1.00 0.00 H new ATOM 190 N THR A 12 48.821 56.705 27.938 1.00 0.00 N ATOM 191 CA THR A 12 47.623 56.102 27.389 1.00 0.00 C ATOM 192 C THR A 12 47.385 56.482 25.926 1.00 0.00 C ATOM 193 O THR A 12 47.658 57.605 25.508 1.00 0.00 O ATOM 194 CB THR A 12 46.408 56.462 28.240 1.00 0.00 C ATOM 195 OG1 THR A 12 46.590 56.013 29.564 1.00 0.00 O ATOM 196 CG2 THR A 12 45.109 55.812 27.772 1.00 0.00 C ATOM 0 H THR A 12 48.627 57.287 28.753 1.00 0.00 H new ATOM 0 HA THR A 12 47.773 55.023 27.413 1.00 0.00 H new ATOM 0 HB THR A 12 46.326 57.546 28.157 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.805 56.251 30.101 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.293 56.117 28.427 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.892 56.127 26.751 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.213 54.727 27.803 1.00 0.00 H new ATOM 204 N ILE A 13 46.859 55.536 25.152 1.00 0.00 N ATOM 205 CA ILE A 13 46.484 55.650 23.758 1.00 0.00 C ATOM 206 C ILE A 13 45.014 55.257 23.604 1.00 0.00 C ATOM 207 O ILE A 13 44.574 54.286 24.215 1.00 0.00 O ATOM 208 CB ILE A 13 47.401 54.775 22.907 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.868 55.160 23.078 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.999 54.820 21.436 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.872 54.317 22.298 1.00 0.00 C ATOM 0 H ILE A 13 46.673 54.602 25.517 1.00 0.00 H new ATOM 0 HA ILE A 13 46.599 56.678 23.414 1.00 0.00 H new ATOM 0 HB ILE A 13 47.285 53.750 23.260 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.988 56.202 22.780 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.118 55.101 24.137 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.671 54.187 20.856 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.976 54.459 21.327 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.063 55.846 21.073 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.881 54.679 22.494 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.793 53.276 22.610 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.660 54.393 21.231 1.00 0.00 H new ATOM 223 N THR A 14 44.234 55.974 22.800 1.00 0.00 N ATOM 224 CA THR A 14 42.808 55.778 22.641 1.00 0.00 C ATOM 225 C THR A 14 42.427 55.163 21.292 1.00 0.00 C ATOM 226 O THR A 14 43.036 55.487 20.275 1.00 0.00 O ATOM 227 CB THR A 14 42.029 57.069 22.877 1.00 0.00 C ATOM 228 OG1 THR A 14 42.187 57.995 21.826 1.00 0.00 O ATOM 229 CG2 THR A 14 42.451 57.789 24.155 1.00 0.00 C ATOM 0 H THR A 14 44.597 56.733 22.223 1.00 0.00 H new ATOM 0 HA THR A 14 42.528 55.057 23.409 1.00 0.00 H new ATOM 0 HB THR A 14 40.992 56.743 22.950 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.669 58.803 22.022 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.863 58.700 24.270 1.00 0.00 H new ATOM 0 HG22 THR A 14 42.283 57.137 25.012 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.509 58.045 24.096 1.00 0.00 H new ATOM 237 N LEU A 15 41.412 54.304 21.267 1.00 0.00 N ATOM 238 CA LEU A 15 40.873 53.687 20.072 1.00 0.00 C ATOM 239 C LEU A 15 39.344 53.638 20.106 1.00 0.00 C ATOM 240 O LEU A 15 38.754 53.451 21.169 1.00 0.00 O ATOM 241 CB LEU A 15 41.404 52.265 19.917 1.00 0.00 C ATOM 242 CG LEU A 15 42.911 52.074 19.773 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.234 50.583 19.765 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.465 52.662 18.478 1.00 0.00 C ATOM 0 H LEU A 15 40.927 54.011 22.115 1.00 0.00 H new ATOM 0 HA LEU A 15 41.190 54.297 19.226 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.076 51.690 20.783 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.927 51.824 19.042 1.00 0.00 H new ATOM 0 HG LEU A 15 43.369 52.592 20.615 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.310 50.444 19.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.898 50.133 20.699 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.725 50.105 18.928 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.541 52.495 18.434 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.987 52.179 17.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.263 53.733 18.449 1.00 0.00 H new ATOM 256 N GLU A 16 38.707 53.705 18.940 1.00 0.00 N ATOM 257 CA GLU A 16 37.314 53.365 18.724 1.00 0.00 C ATOM 258 C GLU A 16 37.215 52.018 18.005 1.00 0.00 C ATOM 259 O GLU A 16 37.902 51.787 17.012 1.00 0.00 O ATOM 260 CB GLU A 16 36.587 54.475 17.970 1.00 0.00 C ATOM 261 CG GLU A 16 35.448 55.119 18.754 1.00 0.00 C ATOM 262 CD GLU A 16 34.149 54.314 18.812 1.00 0.00 C ATOM 263 OE1 GLU A 16 33.822 53.546 17.880 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.376 54.483 19.779 1.00 0.00 O ATOM 0 H GLU A 16 39.173 54.012 18.086 1.00 0.00 H new ATOM 0 HA GLU A 16 36.817 53.269 19.689 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.307 55.246 17.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.189 54.068 17.041 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.789 55.299 19.774 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.232 56.092 18.313 1.00 0.00 H new ATOM 271 N VAL A 17 36.405 51.114 18.549 1.00 0.00 N ATOM 272 CA VAL A 17 36.268 49.725 18.164 1.00 0.00 C ATOM 273 C VAL A 17 34.812 49.266 18.263 1.00 0.00 C ATOM 274 O VAL A 17 33.978 49.955 18.847 1.00 0.00 O ATOM 275 CB VAL A 17 37.151 48.841 19.043 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.635 49.184 18.942 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.755 48.888 20.516 1.00 0.00 C ATOM 0 H VAL A 17 35.787 51.356 19.324 1.00 0.00 H new ATOM 0 HA VAL A 17 36.588 49.633 17.126 1.00 0.00 H new ATOM 0 HB VAL A 17 36.989 47.836 18.653 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.207 48.520 19.590 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.968 49.060 17.911 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.792 50.217 19.252 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.417 48.241 21.092 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.839 49.911 20.883 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.726 48.546 20.627 1.00 0.00 H new ATOM 287 N GLU A 18 34.500 48.074 17.763 1.00 0.00 N ATOM 288 CA GLU A 18 33.243 47.389 17.989 1.00 0.00 C ATOM 289 C GLU A 18 33.450 46.107 18.797 1.00 0.00 C ATOM 290 O GLU A 18 34.477 45.454 18.624 1.00 0.00 O ATOM 291 CB GLU A 18 32.574 47.071 16.655 1.00 0.00 C ATOM 292 CG GLU A 18 32.298 48.279 15.764 1.00 0.00 C ATOM 293 CD GLU A 18 31.425 49.352 16.416 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.462 49.007 17.134 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.667 50.553 16.169 1.00 0.00 O ATOM 0 H GLU A 18 35.140 47.546 17.170 1.00 0.00 H new ATOM 0 HA GLU A 18 32.595 48.049 18.566 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.206 46.372 16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.631 46.561 16.852 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.248 48.727 15.473 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.813 47.938 14.849 1.00 0.00 H new ATOM 302 N PRO A 19 32.513 45.671 19.634 1.00 0.00 N ATOM 303 CA PRO A 19 32.668 44.481 20.447 1.00 0.00 C ATOM 304 C PRO A 19 32.794 43.182 19.647 1.00 0.00 C ATOM 305 O PRO A 19 33.262 42.172 20.165 1.00 0.00 O ATOM 306 CB PRO A 19 31.462 44.466 21.381 1.00 0.00 C ATOM 307 CG PRO A 19 30.397 45.251 20.622 1.00 0.00 C ATOM 308 CD PRO A 19 31.234 46.298 19.894 1.00 0.00 C ATOM 0 HA PRO A 19 33.611 44.524 20.992 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.133 43.448 21.592 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.694 44.931 22.339 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.841 44.619 19.929 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.669 45.706 21.294 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.754 46.606 18.965 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.355 47.194 20.503 1.00 0.00 H new ATOM 316 N SER A 20 32.433 43.204 18.366 1.00 0.00 N ATOM 317 CA SER A 20 32.608 42.118 17.423 1.00 0.00 C ATOM 318 C SER A 20 34.013 42.025 16.823 1.00 0.00 C ATOM 319 O SER A 20 34.300 41.050 16.132 1.00 0.00 O ATOM 320 CB SER A 20 31.573 42.262 16.312 1.00 0.00 C ATOM 321 OG SER A 20 31.670 43.526 15.694 1.00 0.00 O ATOM 0 H SER A 20 31.991 44.021 17.944 1.00 0.00 H new ATOM 0 HA SER A 20 32.468 41.191 17.979 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.719 41.478 15.569 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.572 42.129 16.723 1.00 0.00 H new ATOM 0 HG SER A 20 30.998 43.595 14.984 1.00 0.00 H new ATOM 327 N ASP A 21 34.892 42.997 17.049 1.00 0.00 N ATOM 328 CA ASP A 21 36.216 43.024 16.460 1.00 0.00 C ATOM 329 C ASP A 21 37.151 41.969 17.054 1.00 0.00 C ATOM 330 O ASP A 21 37.177 41.751 18.263 1.00 0.00 O ATOM 331 CB ASP A 21 36.848 44.407 16.594 1.00 0.00 C ATOM 332 CG ASP A 21 36.187 45.488 15.738 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.593 45.174 14.685 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.388 46.684 16.045 1.00 0.00 O ATOM 0 H ASP A 21 34.697 43.795 17.654 1.00 0.00 H new ATOM 0 HA ASP A 21 36.082 42.787 15.404 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.807 44.712 17.639 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.902 44.340 16.323 1.00 0.00 H new ATOM 339 N THR A 22 37.951 41.349 16.191 1.00 0.00 N ATOM 340 CA THR A 22 38.990 40.403 16.546 1.00 0.00 C ATOM 341 C THR A 22 40.199 41.073 17.202 1.00 0.00 C ATOM 342 O THR A 22 40.565 42.194 16.857 1.00 0.00 O ATOM 343 CB THR A 22 39.448 39.558 15.362 1.00 0.00 C ATOM 344 OG1 THR A 22 39.811 40.342 14.248 1.00 0.00 O ATOM 345 CG2 THR A 22 38.378 38.570 14.906 1.00 0.00 C ATOM 0 H THR A 22 37.886 41.502 15.185 1.00 0.00 H new ATOM 0 HA THR A 22 38.528 39.740 17.278 1.00 0.00 H new ATOM 0 HB THR A 22 40.320 39.016 15.728 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.099 39.757 13.516 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.753 37.992 14.061 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.132 37.896 15.726 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.484 39.116 14.605 1.00 0.00 H new ATOM 353 N ILE A 23 40.877 40.360 18.097 1.00 0.00 N ATOM 354 CA ILE A 23 42.083 40.823 18.753 1.00 0.00 C ATOM 355 C ILE A 23 43.201 41.092 17.743 1.00 0.00 C ATOM 356 O ILE A 23 43.919 42.079 17.884 1.00 0.00 O ATOM 357 CB ILE A 23 42.493 39.838 19.843 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.434 39.642 20.926 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.818 40.210 20.500 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.881 40.894 21.599 1.00 0.00 C ATOM 0 H ILE A 23 40.592 39.425 18.388 1.00 0.00 H new ATOM 0 HA ILE A 23 41.881 41.779 19.235 1.00 0.00 H new ATOM 0 HB ILE A 23 42.609 38.892 19.315 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.598 39.099 20.486 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.858 39.002 21.700 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.062 39.476 21.268 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.606 40.223 19.747 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.734 41.197 20.955 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.140 40.609 22.345 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.693 41.436 22.083 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.414 41.534 20.850 1.00 0.00 H new ATOM 372 N GLU A 24 43.286 40.319 16.664 1.00 0.00 N ATOM 373 CA GLU A 24 44.124 40.598 15.516 1.00 0.00 C ATOM 374 C GLU A 24 43.892 41.994 14.933 1.00 0.00 C ATOM 375 O GLU A 24 44.845 42.720 14.663 1.00 0.00 O ATOM 376 CB GLU A 24 43.842 39.519 14.474 1.00 0.00 C ATOM 377 CG GLU A 24 44.697 39.573 13.211 1.00 0.00 C ATOM 378 CD GLU A 24 46.064 38.919 13.430 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.161 37.684 13.268 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.047 39.623 13.744 1.00 0.00 O ATOM 0 H GLU A 24 42.754 39.454 16.568 1.00 0.00 H new ATOM 0 HA GLU A 24 45.169 40.584 15.826 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.980 38.544 14.942 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.794 39.587 14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.177 39.068 12.397 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.834 40.611 12.907 1.00 0.00 H new ATOM 387 N ASN A 25 42.639 42.417 14.796 1.00 0.00 N ATOM 388 CA ASN A 25 42.277 43.726 14.289 1.00 0.00 C ATOM 389 C ASN A 25 42.461 44.857 15.302 1.00 0.00 C ATOM 390 O ASN A 25 42.570 46.015 14.901 1.00 0.00 O ATOM 391 CB ASN A 25 40.862 43.674 13.720 1.00 0.00 C ATOM 392 CG ASN A 25 40.787 43.008 12.345 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.737 42.417 11.837 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.642 43.104 11.675 1.00 0.00 N ATOM 0 H ASN A 25 41.833 41.842 15.041 1.00 0.00 H new ATOM 0 HA ASN A 25 42.975 43.973 13.489 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.219 43.133 14.414 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.470 44.688 13.647 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.558 42.689 10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.848 43.593 12.089 1.00 0.00 H new ATOM 401 N VAL A 26 42.579 44.551 16.591 1.00 0.00 N ATOM 402 CA VAL A 26 42.998 45.498 17.605 1.00 0.00 C ATOM 403 C VAL A 26 44.521 45.651 17.587 1.00 0.00 C ATOM 404 O VAL A 26 45.009 46.779 17.568 1.00 0.00 O ATOM 405 CB VAL A 26 42.463 45.126 18.985 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.925 46.107 20.058 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.938 45.124 18.995 1.00 0.00 C ATOM 0 H VAL A 26 42.382 43.621 16.960 1.00 0.00 H new ATOM 0 HA VAL A 26 42.565 46.470 17.370 1.00 0.00 H new ATOM 0 HB VAL A 26 42.852 44.132 19.203 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.522 45.805 21.025 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.014 46.110 20.104 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.570 47.108 19.813 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.581 44.856 19.989 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.571 46.116 18.733 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.570 44.398 18.270 1.00 0.00 H new ATOM 417 N LYS A 27 45.280 44.568 17.456 1.00 0.00 N ATOM 418 CA LYS A 27 46.716 44.622 17.270 1.00 0.00 C ATOM 419 C LYS A 27 47.120 45.415 16.025 1.00 0.00 C ATOM 420 O LYS A 27 48.112 46.138 16.065 1.00 0.00 O ATOM 421 CB LYS A 27 47.326 43.225 17.192 1.00 0.00 C ATOM 422 CG LYS A 27 47.376 42.454 18.508 1.00 0.00 C ATOM 423 CD LYS A 27 48.217 41.199 18.297 1.00 0.00 C ATOM 424 CE LYS A 27 48.483 40.397 19.568 1.00 0.00 C ATOM 425 NZ LYS A 27 49.341 39.243 19.254 1.00 0.00 N ATOM 0 H LYS A 27 44.906 43.619 17.477 1.00 0.00 H new ATOM 0 HA LYS A 27 47.106 45.139 18.147 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.757 42.639 16.470 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.341 43.312 16.804 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.808 43.073 19.294 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.369 42.187 18.830 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.713 40.556 17.575 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.172 41.486 17.857 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.965 41.029 20.314 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.541 40.056 19.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.590 38.746 20.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.831 38.593 18.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.208 39.573 18.785 1.00 0.00 H new ATOM 439 N ALA A 28 46.336 45.350 14.953 1.00 0.00 N ATOM 440 CA ALA A 28 46.556 46.135 13.754 1.00 0.00 C ATOM 441 C ALA A 28 46.400 47.639 13.990 1.00 0.00 C ATOM 442 O ALA A 28 47.200 48.430 13.493 1.00 0.00 O ATOM 443 CB ALA A 28 45.600 45.648 12.669 1.00 0.00 C ATOM 0 H ALA A 28 45.520 44.740 14.897 1.00 0.00 H new ATOM 0 HA ALA A 28 47.589 45.992 13.437 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.754 46.230 11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.790 44.595 12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.571 45.771 13.008 1.00 0.00 H new ATOM 449 N LYS A 29 45.439 48.051 14.810 1.00 0.00 N ATOM 450 CA LYS A 29 45.279 49.425 15.240 1.00 0.00 C ATOM 451 C LYS A 29 46.396 49.878 16.182 1.00 0.00 C ATOM 452 O LYS A 29 46.762 51.051 16.152 1.00 0.00 O ATOM 453 CB LYS A 29 43.906 49.635 15.874 1.00 0.00 C ATOM 454 CG LYS A 29 42.813 49.876 14.837 1.00 0.00 C ATOM 455 CD LYS A 29 41.437 50.029 15.482 1.00 0.00 C ATOM 456 CE LYS A 29 40.400 50.388 14.422 1.00 0.00 C ATOM 457 NZ LYS A 29 39.022 50.278 14.928 1.00 0.00 N ATOM 0 H LYS A 29 44.737 47.421 15.199 1.00 0.00 H new ATOM 0 HA LYS A 29 45.350 50.050 14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.648 48.761 16.472 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.950 50.485 16.555 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.047 50.774 14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.793 49.045 14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.154 49.101 15.979 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.469 50.804 16.248 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.577 51.406 14.074 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.522 49.731 13.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.353 50.499 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.853 49.310 15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.885 50.948 15.711 1.00 0.00 H new ATOM 471 N ILE A 30 46.967 48.983 16.982 1.00 0.00 N ATOM 472 CA ILE A 30 48.109 49.263 17.830 1.00 0.00 C ATOM 473 C ILE A 30 49.404 49.364 17.021 1.00 0.00 C ATOM 474 O ILE A 30 50.223 50.238 17.296 1.00 0.00 O ATOM 475 CB ILE A 30 48.182 48.239 18.959 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.992 48.413 19.898 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.488 48.329 19.744 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.811 47.289 20.916 1.00 0.00 C ATOM 0 H ILE A 30 46.637 48.021 17.057 1.00 0.00 H new ATOM 0 HA ILE A 30 47.978 50.243 18.289 1.00 0.00 H new ATOM 0 HB ILE A 30 48.149 47.250 18.502 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.105 49.355 20.434 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.084 48.493 19.300 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.489 47.579 20.535 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.329 48.150 19.074 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.580 49.322 20.185 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.942 47.499 21.539 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.663 46.344 20.393 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.699 47.220 21.544 1.00 0.00 H new ATOM 490 N GLN A 31 49.581 48.561 15.975 1.00 0.00 N ATOM 491 CA GLN A 31 50.677 48.706 15.039 1.00 0.00 C ATOM 492 C GLN A 31 50.624 50.069 14.347 1.00 0.00 C ATOM 493 O GLN A 31 51.651 50.732 14.209 1.00 0.00 O ATOM 494 CB GLN A 31 50.655 47.556 14.037 1.00 0.00 C ATOM 495 CG GLN A 31 51.890 47.503 13.144 1.00 0.00 C ATOM 496 CD GLN A 31 51.933 46.250 12.266 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.913 45.661 11.913 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.108 45.767 11.871 1.00 0.00 N ATOM 0 H GLN A 31 48.957 47.784 15.757 1.00 0.00 H new ATOM 0 HA GLN A 31 51.621 48.662 15.582 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.568 46.614 14.579 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.767 47.647 13.411 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.911 48.388 12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.784 47.536 13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.971 46.235 12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.146 44.929 11.291 1.00 0.00 H new ATOM 507 N ASP A 32 49.432 50.535 13.989 1.00 0.00 N ATOM 508 CA ASP A 32 49.207 51.870 13.472 1.00 0.00 C ATOM 509 C ASP A 32 49.577 52.992 14.444 1.00 0.00 C ATOM 510 O ASP A 32 50.058 54.028 13.993 1.00 0.00 O ATOM 511 CB ASP A 32 47.757 51.954 13.005 1.00 0.00 C ATOM 512 CG ASP A 32 47.328 53.356 12.572 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.345 53.875 13.145 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.921 53.903 11.617 1.00 0.00 O ATOM 0 H ASP A 32 48.580 49.978 14.054 1.00 0.00 H new ATOM 0 HA ASP A 32 49.884 52.032 12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.613 51.267 12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.105 51.618 13.811 1.00 0.00 H new ATOM 519 N LYS A 33 49.432 52.798 15.752 1.00 0.00 N ATOM 520 CA LYS A 33 49.811 53.768 16.760 1.00 0.00 C ATOM 521 C LYS A 33 51.296 53.760 17.131 1.00 0.00 C ATOM 522 O LYS A 33 51.833 54.837 17.378 1.00 0.00 O ATOM 523 CB LYS A 33 48.958 53.610 18.015 1.00 0.00 C ATOM 524 CG LYS A 33 47.483 53.958 17.838 1.00 0.00 C ATOM 525 CD LYS A 33 47.229 55.418 17.478 1.00 0.00 C ATOM 526 CE LYS A 33 45.738 55.728 17.582 1.00 0.00 C ATOM 527 NZ LYS A 33 45.390 56.945 16.834 1.00 0.00 N ATOM 0 H LYS A 33 49.039 51.942 16.143 1.00 0.00 H new ATOM 0 HA LYS A 33 49.625 54.738 16.299 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.034 52.579 18.361 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.373 54.241 18.801 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.062 53.324 17.058 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.952 53.724 18.761 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.792 56.069 18.146 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.581 55.618 16.466 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.162 54.886 17.198 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.463 55.852 18.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.370 57.128 16.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.922 57.752 17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.631 56.817 15.830 1.00 0.00 H new ATOM 541 N GLU A 34 51.935 52.597 17.206 1.00 0.00 N ATOM 542 CA GLU A 34 53.238 52.435 17.820 1.00 0.00 C ATOM 543 C GLU A 34 54.316 51.764 16.965 1.00 0.00 C ATOM 544 O GLU A 34 55.476 51.742 17.368 1.00 0.00 O ATOM 545 CB GLU A 34 53.075 51.703 19.149 1.00 0.00 C ATOM 546 CG GLU A 34 52.576 52.573 20.299 1.00 0.00 C ATOM 547 CD GLU A 34 53.701 53.450 20.852 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.196 53.174 21.965 1.00 0.00 O ATOM 549 OE2 GLU A 34 54.135 54.386 20.145 1.00 0.00 O ATOM 0 H GLU A 34 51.551 51.729 16.834 1.00 0.00 H new ATOM 0 HA GLU A 34 53.617 53.448 17.960 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.380 50.875 19.009 1.00 0.00 H new ATOM 0 HB3 GLU A 34 54.035 51.269 19.429 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.756 53.202 19.954 1.00 0.00 H new ATOM 0 HG3 GLU A 34 52.180 51.940 21.093 1.00 0.00 H new ATOM 556 N GLY A 35 53.980 51.204 15.806 1.00 0.00 N ATOM 557 CA GLY A 35 54.923 50.535 14.933 1.00 0.00 C ATOM 558 C GLY A 35 55.392 49.157 15.405 1.00 0.00 C ATOM 559 O GLY A 35 56.323 48.595 14.833 1.00 0.00 O ATOM 0 H GLY A 35 53.026 51.206 15.446 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.467 50.427 13.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.797 51.175 14.811 1.00 0.00 H new ATOM 563 N ILE A 36 54.751 48.591 16.424 1.00 0.00 N ATOM 564 CA ILE A 36 55.075 47.299 16.996 1.00 0.00 C ATOM 565 C ILE A 36 54.369 46.201 16.199 1.00 0.00 C ATOM 566 O ILE A 36 53.141 46.222 16.153 1.00 0.00 O ATOM 567 CB ILE A 36 54.690 47.247 18.472 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.359 48.348 19.290 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.052 45.889 19.064 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.697 48.578 20.645 1.00 0.00 C ATOM 0 H ILE A 36 53.962 49.042 16.888 1.00 0.00 H new ATOM 0 HA ILE A 36 56.152 47.139 16.937 1.00 0.00 H new ATOM 0 HB ILE A 36 53.612 47.404 18.522 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.407 48.091 19.444 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.339 49.277 18.721 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.772 45.865 20.117 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.517 45.104 18.529 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.126 45.726 18.970 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.221 49.373 21.176 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.656 48.865 20.497 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.741 47.660 21.232 1.00 0.00 H new ATOM 582 N PRO A 37 55.066 45.225 15.623 1.00 0.00 N ATOM 583 CA PRO A 37 54.435 44.119 14.932 1.00 0.00 C ATOM 584 C PRO A 37 53.508 43.305 15.838 1.00 0.00 C ATOM 585 O PRO A 37 53.907 42.980 16.954 1.00 0.00 O ATOM 586 CB PRO A 37 55.566 43.256 14.379 1.00 0.00 C ATOM 587 CG PRO A 37 56.710 44.254 14.232 1.00 0.00 C ATOM 588 CD PRO A 37 56.502 45.153 15.449 1.00 0.00 C ATOM 0 HA PRO A 37 53.792 44.495 14.136 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.823 42.443 15.057 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.299 42.803 13.424 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.684 43.764 14.248 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.648 44.811 13.297 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.986 44.738 16.333 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.930 46.142 15.286 1.00 0.00 H new ATOM 596 N PRO A 38 52.313 42.922 15.400 1.00 0.00 N ATOM 597 CA PRO A 38 51.387 42.075 16.126 1.00 0.00 C ATOM 598 C PRO A 38 51.980 40.810 16.749 1.00 0.00 C ATOM 599 O PRO A 38 51.569 40.435 17.844 1.00 0.00 O ATOM 600 CB PRO A 38 50.301 41.725 15.115 1.00 0.00 C ATOM 601 CG PRO A 38 50.203 42.998 14.280 1.00 0.00 C ATOM 602 CD PRO A 38 51.651 43.482 14.240 1.00 0.00 C ATOM 0 HA PRO A 38 51.025 42.619 16.998 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.575 40.862 14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.356 41.485 15.602 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.814 42.799 13.281 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.542 43.734 14.738 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.141 43.159 13.322 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.695 44.571 14.258 1.00 0.00 H new ATOM 610 N ASP A 39 52.983 40.196 16.127 1.00 0.00 N ATOM 611 CA ASP A 39 53.666 39.041 16.676 1.00 0.00 C ATOM 612 C ASP A 39 54.547 39.346 17.890 1.00 0.00 C ATOM 613 O ASP A 39 54.881 38.429 18.637 1.00 0.00 O ATOM 614 CB ASP A 39 54.431 38.292 15.590 1.00 0.00 C ATOM 615 CG ASP A 39 55.585 39.077 14.964 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.442 39.492 13.794 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.650 39.218 15.603 1.00 0.00 O ATOM 0 H ASP A 39 53.343 40.493 15.220 1.00 0.00 H new ATOM 0 HA ASP A 39 52.882 38.388 17.061 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.825 37.368 16.014 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.733 38.009 14.802 1.00 0.00 H new ATOM 622 N GLN A 40 54.900 40.607 18.119 1.00 0.00 N ATOM 623 CA GLN A 40 55.599 41.110 19.285 1.00 0.00 C ATOM 624 C GLN A 40 54.668 41.731 20.328 1.00 0.00 C ATOM 625 O GLN A 40 55.110 41.997 21.444 1.00 0.00 O ATOM 626 CB GLN A 40 56.645 42.135 18.854 1.00 0.00 C ATOM 627 CG GLN A 40 57.845 41.496 18.163 1.00 0.00 C ATOM 628 CD GLN A 40 58.804 42.553 17.614 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.879 42.797 16.411 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.571 43.218 18.473 1.00 0.00 N ATOM 0 H GLN A 40 54.690 41.347 17.450 1.00 0.00 H new ATOM 0 HA GLN A 40 56.075 40.253 19.760 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.184 42.857 18.179 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.987 42.689 19.728 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.374 40.855 18.869 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.500 40.858 17.349 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.511 43.018 19.471 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.219 43.928 18.134 1.00 0.00 H new ATOM 639 N GLN A 41 53.401 41.972 20.003 1.00 0.00 N ATOM 640 CA GLN A 41 52.432 42.510 20.937 1.00 0.00 C ATOM 641 C GLN A 41 51.838 41.388 21.790 1.00 0.00 C ATOM 642 O GLN A 41 51.220 40.472 21.251 1.00 0.00 O ATOM 643 CB GLN A 41 51.305 43.238 20.210 1.00 0.00 C ATOM 644 CG GLN A 41 51.713 44.445 19.370 1.00 0.00 C ATOM 645 CD GLN A 41 50.510 45.066 18.658 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.388 45.054 19.161 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.662 45.613 17.455 1.00 0.00 N ATOM 0 H GLN A 41 53.020 41.796 19.073 1.00 0.00 H new ATOM 0 HA GLN A 41 52.953 43.223 21.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.799 42.524 19.560 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.576 43.567 20.951 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.184 45.192 20.009 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.457 44.142 18.633 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.583 45.635 17.017 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.857 46.011 16.970 1.00 0.00 H new ATOM 656 N ARG A 42 51.945 41.486 23.112 1.00 0.00 N ATOM 657 CA ARG A 42 51.127 40.757 24.060 1.00 0.00 C ATOM 658 C ARG A 42 50.084 41.717 24.637 1.00 0.00 C ATOM 659 O ARG A 42 50.449 42.805 25.078 1.00 0.00 O ATOM 660 CB ARG A 42 51.993 40.174 25.173 1.00 0.00 C ATOM 661 CG ARG A 42 52.992 39.116 24.714 1.00 0.00 C ATOM 662 CD ARG A 42 53.970 38.754 25.829 1.00 0.00 C ATOM 663 NE ARG A 42 53.278 38.260 27.020 1.00 0.00 N ATOM 664 CZ ARG A 42 53.595 38.513 28.297 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.695 39.174 28.684 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.780 38.113 29.283 1.00 0.00 N ATOM 0 H ARG A 42 52.627 42.096 23.561 1.00 0.00 H new ATOM 0 HA ARG A 42 50.628 39.928 23.559 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.539 40.986 25.653 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.342 39.736 25.930 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.457 38.222 24.393 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.544 39.485 23.849 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.664 37.994 25.471 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.563 39.630 26.091 1.00 0.00 H new ATOM 0 HE ARG A 42 52.469 37.660 26.861 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.354 39.520 27.987 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.873 39.331 29.676 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.918 37.615 29.062 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.022 38.306 30.255 1.00 0.00 H new ATOM 680 N LEU A 43 48.812 41.329 24.638 1.00 0.00 N ATOM 681 CA LEU A 43 47.722 42.129 25.157 1.00 0.00 C ATOM 682 C LEU A 43 47.109 41.462 26.390 1.00 0.00 C ATOM 683 O LEU A 43 46.655 40.323 26.309 1.00 0.00 O ATOM 684 CB LEU A 43 46.686 42.392 24.067 1.00 0.00 C ATOM 685 CG LEU A 43 47.190 43.131 22.831 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.040 43.311 21.845 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.752 44.516 23.145 1.00 0.00 C ATOM 0 H LEU A 43 48.510 40.428 24.268 1.00 0.00 H new ATOM 0 HA LEU A 43 48.110 43.097 25.473 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.270 41.436 23.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.868 42.967 24.502 1.00 0.00 H new ATOM 0 HG LEU A 43 47.995 42.524 22.416 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.398 43.839 20.961 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.655 42.334 21.553 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.244 43.889 22.315 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.093 44.988 22.223 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.975 45.129 23.601 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.590 44.421 23.835 1.00 0.00 H new ATOM 699 N ILE A 44 47.107 42.161 27.521 1.00 0.00 N ATOM 700 CA ILE A 44 46.723 41.667 28.828 1.00 0.00 C ATOM 701 C ILE A 44 45.500 42.422 29.352 1.00 0.00 C ATOM 702 O ILE A 44 45.441 43.648 29.301 1.00 0.00 O ATOM 703 CB ILE A 44 47.879 41.750 29.823 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.250 41.335 29.297 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.552 40.979 31.099 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.373 39.895 28.806 1.00 0.00 C ATOM 0 H ILE A 44 47.390 43.141 27.545 1.00 0.00 H new ATOM 0 HA ILE A 44 46.460 40.615 28.719 1.00 0.00 H new ATOM 0 HB ILE A 44 47.972 42.816 30.028 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.519 42.001 28.477 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.983 41.491 30.088 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.389 41.052 31.793 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.660 41.402 31.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.373 39.932 30.856 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.390 39.715 28.456 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.144 39.211 29.623 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.673 39.729 27.987 1.00 0.00 H new ATOM 718 N PHE A 45 44.531 41.686 29.889 1.00 0.00 N ATOM 719 CA PHE A 45 43.354 42.220 30.545 1.00 0.00 C ATOM 720 C PHE A 45 42.873 41.263 31.638 1.00 0.00 C ATOM 721 O PHE A 45 42.855 40.053 31.430 1.00 0.00 O ATOM 722 CB PHE A 45 42.267 42.434 29.495 1.00 0.00 C ATOM 723 CG PHE A 45 40.954 42.960 30.025 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.881 44.255 30.552 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.804 42.162 29.994 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.664 44.756 31.028 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.586 42.658 30.475 1.00 0.00 C ATOM 728 CZ PHE A 45 38.514 43.957 30.992 1.00 0.00 C ATOM 0 H PHE A 45 44.550 40.666 29.876 1.00 0.00 H new ATOM 0 HA PHE A 45 43.593 43.171 31.020 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.642 43.129 28.744 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.082 41.487 28.988 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.768 44.870 30.591 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.857 41.159 29.597 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.611 45.760 31.423 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.702 42.038 30.447 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.575 44.342 31.362 1.00 0.00 H new ATOM 738 N ALA A 46 42.484 41.788 32.797 1.00 0.00 N ATOM 739 CA ALA A 46 42.020 41.024 33.938 1.00 0.00 C ATOM 740 C ALA A 46 42.935 39.853 34.303 1.00 0.00 C ATOM 741 O ALA A 46 42.486 38.730 34.521 1.00 0.00 O ATOM 742 CB ALA A 46 40.551 40.663 33.739 1.00 0.00 C ATOM 0 H ALA A 46 42.486 42.794 32.967 1.00 0.00 H new ATOM 0 HA ALA A 46 42.079 41.648 34.830 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.198 40.088 34.595 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.961 41.575 33.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.442 40.067 32.833 1.00 0.00 H new ATOM 748 N GLY A 47 44.242 40.096 34.311 1.00 0.00 N ATOM 749 CA GLY A 47 45.268 39.136 34.659 1.00 0.00 C ATOM 750 C GLY A 47 45.599 38.078 33.604 1.00 0.00 C ATOM 751 O GLY A 47 46.490 37.269 33.848 1.00 0.00 O ATOM 0 H GLY A 47 44.625 41.008 34.064 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.182 39.683 34.892 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.961 38.624 35.571 1.00 0.00 H new ATOM 755 N LYS A 48 44.929 38.064 32.455 1.00 0.00 N ATOM 756 CA LYS A 48 45.041 37.046 31.431 1.00 0.00 C ATOM 757 C LYS A 48 45.352 37.636 30.054 1.00 0.00 C ATOM 758 O LYS A 48 44.940 38.750 29.734 1.00 0.00 O ATOM 759 CB LYS A 48 43.773 36.197 31.420 1.00 0.00 C ATOM 760 CG LYS A 48 43.731 35.238 32.607 1.00 0.00 C ATOM 761 CD LYS A 48 42.433 34.435 32.619 1.00 0.00 C ATOM 762 CE LYS A 48 42.415 33.321 33.662 1.00 0.00 C ATOM 763 NZ LYS A 48 43.430 32.288 33.409 1.00 0.00 N ATOM 0 H LYS A 48 44.265 38.798 32.208 1.00 0.00 H new ATOM 0 HA LYS A 48 45.889 36.406 31.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.898 36.847 31.445 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.722 35.630 30.491 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.582 34.559 32.560 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.823 35.800 33.536 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.599 35.111 32.807 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.275 34.000 31.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.580 33.752 34.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.428 32.859 33.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.245 31.464 34.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.390 31.999 32.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.374 32.670 33.621 1.00 0.00 H new ATOM 777 N GLN A 49 46.091 36.887 29.241 1.00 0.00 N ATOM 778 CA GLN A 49 46.501 37.302 27.914 1.00 0.00 C ATOM 779 C GLN A 49 45.423 37.001 26.872 1.00 0.00 C ATOM 780 O GLN A 49 44.907 35.887 26.804 1.00 0.00 O ATOM 781 CB GLN A 49 47.850 36.673 27.576 1.00 0.00 C ATOM 782 CG GLN A 49 48.428 37.204 26.267 1.00 0.00 C ATOM 783 CD GLN A 49 49.838 36.677 25.993 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.774 36.871 26.765 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.033 35.981 24.877 1.00 0.00 N ATOM 0 H GLN A 49 46.425 35.958 29.496 1.00 0.00 H new ATOM 0 HA GLN A 49 46.627 38.385 27.899 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.552 36.869 28.386 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.736 35.591 27.507 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.772 36.923 25.443 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.450 38.293 26.299 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.257 35.819 24.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.958 35.609 24.663 1.00 0.00 H new ATOM 794 N LEU A 50 45.095 37.987 26.043 1.00 0.00 N ATOM 795 CA LEU A 50 44.091 37.910 25.000 1.00 0.00 C ATOM 796 C LEU A 50 44.612 37.136 23.788 1.00 0.00 C ATOM 797 O LEU A 50 45.763 37.302 23.391 1.00 0.00 O ATOM 798 CB LEU A 50 43.652 39.319 24.612 1.00 0.00 C ATOM 799 CG LEU A 50 43.150 40.201 25.751 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.794 41.588 25.225 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.908 39.619 26.420 1.00 0.00 C ATOM 0 H LEU A 50 45.545 38.901 26.086 1.00 0.00 H new ATOM 0 HA LEU A 50 43.227 37.365 25.379 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.493 39.821 24.134 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.862 39.239 23.865 1.00 0.00 H new ATOM 0 HG LEU A 50 43.955 40.257 26.483 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.437 42.208 26.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.678 42.047 24.781 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.013 41.501 24.470 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.585 40.279 27.225 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.109 39.525 25.685 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.142 38.636 26.829 1.00 0.00 H new ATOM 813 N GLU A 51 43.770 36.300 23.186 1.00 0.00 N ATOM 814 CA GLU A 51 44.110 35.498 22.028 1.00 0.00 C ATOM 815 C GLU A 51 43.713 36.131 20.692 1.00 0.00 C ATOM 816 O GLU A 51 42.583 36.575 20.511 1.00 0.00 O ATOM 817 CB GLU A 51 43.514 34.097 22.132 1.00 0.00 C ATOM 818 CG GLU A 51 44.159 33.248 23.223 1.00 0.00 C ATOM 819 CD GLU A 51 43.765 31.773 23.121 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.577 30.910 23.521 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.659 31.432 22.649 1.00 0.00 O ATOM 0 H GLU A 51 42.810 36.163 23.503 1.00 0.00 H new ATOM 0 HA GLU A 51 45.198 35.438 22.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.445 34.178 22.328 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.625 33.590 21.173 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.243 33.337 23.156 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.867 33.633 24.200 1.00 0.00 H new ATOM 828 N ASP A 52 44.626 36.089 19.725 1.00 0.00 N ATOM 829 CA ASP A 52 44.480 36.652 18.398 1.00 0.00 C ATOM 830 C ASP A 52 43.256 36.149 17.631 1.00 0.00 C ATOM 831 O ASP A 52 42.639 36.915 16.893 1.00 0.00 O ATOM 832 CB ASP A 52 45.724 36.344 17.570 1.00 0.00 C ATOM 833 CG ASP A 52 47.005 36.933 18.167 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.429 38.022 17.724 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.590 36.308 19.078 1.00 0.00 O ATOM 0 H ASP A 52 45.531 35.637 19.859 1.00 0.00 H new ATOM 0 HA ASP A 52 44.345 37.723 18.547 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.835 35.263 17.481 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.588 36.734 16.562 1.00 0.00 H new ATOM 840 N GLY A 53 42.896 34.882 17.815 1.00 0.00 N ATOM 841 CA GLY A 53 41.744 34.231 17.225 1.00 0.00 C ATOM 842 C GLY A 53 40.398 34.540 17.885 1.00 0.00 C ATOM 843 O GLY A 53 39.404 33.926 17.504 1.00 0.00 O ATOM 0 H GLY A 53 43.433 34.253 18.413 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.687 34.516 16.174 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.904 33.153 17.255 1.00 0.00 H new ATOM 847 N ARG A 54 40.343 35.417 18.882 1.00 0.00 N ATOM 848 CA ARG A 54 39.139 35.795 19.594 1.00 0.00 C ATOM 849 C ARG A 54 38.737 37.247 19.328 1.00 0.00 C ATOM 850 O ARG A 54 39.423 37.965 18.604 1.00 0.00 O ATOM 851 CB ARG A 54 39.304 35.495 21.082 1.00 0.00 C ATOM 852 CG ARG A 54 39.579 34.021 21.362 1.00 0.00 C ATOM 853 CD ARG A 54 39.410 33.715 22.848 1.00 0.00 C ATOM 854 NE ARG A 54 40.126 32.495 23.222 1.00 0.00 N ATOM 855 CZ ARG A 54 39.741 31.533 24.072 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.639 31.631 24.827 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.510 30.439 24.158 1.00 0.00 N ATOM 0 H ARG A 54 41.173 35.900 19.226 1.00 0.00 H new ATOM 0 HA ARG A 54 38.312 35.194 19.216 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.123 36.094 21.480 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.401 35.798 21.611 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.898 33.401 20.778 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.591 33.768 21.046 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.780 34.553 23.439 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.351 33.604 23.081 1.00 0.00 H new ATOM 0 HE ARG A 54 41.035 32.359 22.779 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.053 32.464 24.769 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.386 30.873 25.460 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.353 30.362 23.589 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.253 29.683 24.793 1.00 0.00 H new ATOM 871 N THR A 55 37.618 37.671 19.909 1.00 0.00 N ATOM 872 CA THR A 55 37.045 38.999 19.824 1.00 0.00 C ATOM 873 C THR A 55 37.053 39.746 21.160 1.00 0.00 C ATOM 874 O THR A 55 37.296 39.157 22.211 1.00 0.00 O ATOM 875 CB THR A 55 35.621 38.962 19.280 1.00 0.00 C ATOM 876 OG1 THR A 55 34.792 38.229 20.155 1.00 0.00 O ATOM 877 CG2 THR A 55 35.511 38.358 17.883 1.00 0.00 C ATOM 0 H THR A 55 37.055 37.049 20.489 1.00 0.00 H new ATOM 0 HA THR A 55 37.687 39.544 19.132 1.00 0.00 H new ATOM 0 HB THR A 55 35.301 40.002 19.208 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.126 37.311 20.229 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.469 38.366 17.564 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.109 38.944 17.185 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.877 37.331 17.901 1.00 0.00 H new ATOM 885 N LEU A 56 36.749 41.040 21.146 1.00 0.00 N ATOM 886 CA LEU A 56 36.536 41.809 22.355 1.00 0.00 C ATOM 887 C LEU A 56 35.370 41.274 23.190 1.00 0.00 C ATOM 888 O LEU A 56 35.468 41.209 24.413 1.00 0.00 O ATOM 889 CB LEU A 56 36.349 43.277 21.986 1.00 0.00 C ATOM 890 CG LEU A 56 37.588 43.961 21.418 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.241 45.390 21.009 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.735 44.041 22.423 1.00 0.00 C ATOM 0 H LEU A 56 36.644 41.582 20.288 1.00 0.00 H new ATOM 0 HA LEU A 56 37.417 41.711 22.989 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.543 43.353 21.256 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.027 43.821 22.874 1.00 0.00 H new ATOM 0 HG LEU A 56 37.910 43.359 20.568 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.127 45.878 20.603 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.458 45.372 20.251 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.890 45.943 21.880 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.589 44.538 21.962 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.414 44.608 23.297 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.022 43.035 22.728 1.00 0.00 H new ATOM 904 N SER A 57 34.292 40.824 22.554 1.00 0.00 N ATOM 905 CA SER A 57 33.156 40.207 23.207 1.00 0.00 C ATOM 906 C SER A 57 33.418 38.805 23.763 1.00 0.00 C ATOM 907 O SER A 57 32.813 38.467 24.778 1.00 0.00 O ATOM 908 CB SER A 57 31.923 40.211 22.307 1.00 0.00 C ATOM 909 OG SER A 57 32.216 39.792 20.993 1.00 0.00 O ATOM 0 H SER A 57 34.188 40.883 21.541 1.00 0.00 H new ATOM 0 HA SER A 57 32.966 40.834 24.078 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.163 39.556 22.733 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.500 41.215 22.280 1.00 0.00 H new ATOM 0 HG SER A 57 32.574 40.547 20.481 1.00 0.00 H new ATOM 915 N ASP A 58 34.362 38.031 23.237 1.00 0.00 N ATOM 916 CA ASP A 58 34.832 36.808 23.855 1.00 0.00 C ATOM 917 C ASP A 58 35.386 37.018 25.266 1.00 0.00 C ATOM 918 O ASP A 58 35.463 36.066 26.040 1.00 0.00 O ATOM 919 CB ASP A 58 35.927 36.132 23.035 1.00 0.00 C ATOM 920 CG ASP A 58 35.441 35.338 21.821 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.909 34.221 22.005 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.695 35.777 20.679 1.00 0.00 O ATOM 0 H ASP A 58 34.826 38.245 22.354 1.00 0.00 H new ATOM 0 HA ASP A 58 33.945 36.176 23.904 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.625 36.896 22.693 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.484 35.460 23.688 1.00 0.00 H new ATOM 927 N TYR A 59 35.764 38.241 25.627 1.00 0.00 N ATOM 928 CA TYR A 59 36.257 38.614 26.936 1.00 0.00 C ATOM 929 C TYR A 59 35.374 39.626 27.670 1.00 0.00 C ATOM 930 O TYR A 59 35.753 40.056 28.757 1.00 0.00 O ATOM 931 CB TYR A 59 37.703 39.088 26.809 1.00 0.00 C ATOM 932 CG TYR A 59 38.670 38.045 26.301 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.207 37.098 27.181 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.065 38.049 24.958 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.164 36.177 26.738 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.041 37.152 24.509 1.00 0.00 C ATOM 937 CZ TYR A 59 40.605 36.219 25.401 1.00 0.00 C ATOM 938 OH TYR A 59 41.572 35.363 24.963 1.00 0.00 O ATOM 0 H TYR A 59 35.731 39.030 24.981 1.00 0.00 H new ATOM 0 HA TYR A 59 36.220 37.726 27.567 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.731 39.947 26.138 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.044 39.434 27.785 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.880 37.078 28.210 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.615 38.746 24.266 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.562 35.438 27.418 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.362 37.175 23.478 1.00 0.00 H new ATOM 0 HH TYR A 59 41.267 34.439 25.078 1.00 0.00 H new ATOM 948 N ASN A 60 34.220 40.000 27.126 1.00 0.00 N ATOM 949 CA ASN A 60 33.358 41.050 27.631 1.00 0.00 C ATOM 950 C ASN A 60 34.100 42.357 27.910 1.00 0.00 C ATOM 951 O ASN A 60 33.965 42.966 28.970 1.00 0.00 O ATOM 952 CB ASN A 60 32.499 40.523 28.776 1.00 0.00 C ATOM 953 CG ASN A 60 31.339 41.442 29.169 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.019 42.440 28.527 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.621 41.102 30.234 1.00 0.00 N ATOM 0 H ASN A 60 33.849 39.557 26.285 1.00 0.00 H new ATOM 0 HA ASN A 60 32.662 41.339 26.844 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.097 39.550 28.495 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.134 40.365 29.648 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.817 41.666 30.508 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.874 40.276 30.777 1.00 0.00 H new ATOM 962 N ILE A 61 34.918 42.793 26.955 1.00 0.00 N ATOM 963 CA ILE A 61 35.530 44.106 26.962 1.00 0.00 C ATOM 964 C ILE A 61 34.491 45.110 26.458 1.00 0.00 C ATOM 965 O ILE A 61 33.874 44.892 25.418 1.00 0.00 O ATOM 966 CB ILE A 61 36.828 44.100 26.158 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.869 43.191 26.807 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.384 45.512 26.006 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.977 42.747 25.857 1.00 0.00 C ATOM 0 H ILE A 61 35.174 42.230 26.144 1.00 0.00 H new ATOM 0 HA ILE A 61 35.824 44.403 27.969 1.00 0.00 H new ATOM 0 HB ILE A 61 36.599 43.711 25.166 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.316 43.713 27.653 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.369 42.308 27.205 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.308 45.479 25.429 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.656 46.136 25.488 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.586 45.932 26.992 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.678 42.104 26.390 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.542 42.196 25.023 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.504 43.623 25.478 1.00 0.00 H new ATOM 981 N GLN A 62 34.277 46.185 27.211 1.00 0.00 N ATOM 982 CA GLN A 62 33.217 47.153 27.014 1.00 0.00 C ATOM 983 C GLN A 62 33.759 48.567 26.799 1.00 0.00 C ATOM 984 O GLN A 62 34.970 48.778 26.781 1.00 0.00 O ATOM 985 CB GLN A 62 32.272 47.093 28.211 1.00 0.00 C ATOM 986 CG GLN A 62 31.540 45.764 28.364 1.00 0.00 C ATOM 987 CD GLN A 62 30.669 45.735 29.622 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.056 45.235 30.676 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.472 46.313 29.609 1.00 0.00 N ATOM 0 H GLN A 62 34.869 46.410 28.011 1.00 0.00 H new ATOM 0 HA GLN A 62 32.672 46.900 26.104 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.842 47.288 29.120 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.536 47.892 28.119 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.917 45.589 27.487 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.266 44.952 28.406 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.120 46.738 28.751 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.906 46.332 30.457 1.00 0.00 H new ATOM 998 N LYS A 63 32.881 49.563 26.704 1.00 0.00 N ATOM 999 CA LYS A 63 33.244 50.965 26.701 1.00 0.00 C ATOM 1000 C LYS A 63 34.144 51.350 27.877 1.00 0.00 C ATOM 1001 O LYS A 63 33.996 50.815 28.974 1.00 0.00 O ATOM 1002 CB LYS A 63 32.007 51.855 26.632 1.00 0.00 C ATOM 1003 CG LYS A 63 31.170 51.859 27.907 1.00 0.00 C ATOM 1004 CD LYS A 63 30.047 52.892 27.890 1.00 0.00 C ATOM 1005 CE LYS A 63 29.387 52.887 29.267 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.396 53.966 29.402 1.00 0.00 N ATOM 0 H LYS A 63 31.876 49.407 26.625 1.00 0.00 H new ATOM 0 HA LYS A 63 33.833 51.130 25.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.319 52.876 26.412 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.382 51.527 25.801 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.740 50.868 28.054 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.821 52.054 28.760 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.442 53.881 27.659 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.318 52.651 27.116 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.902 51.925 29.434 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.151 52.997 30.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.970 53.929 30.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.863 54.885 29.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.653 53.847 28.684 1.00 0.00 H new ATOM 1020 N GLU A 64 35.038 52.308 27.652 1.00 0.00 N ATOM 1021 CA GLU A 64 35.935 52.891 28.628 1.00 0.00 C ATOM 1022 C GLU A 64 36.859 51.889 29.322 1.00 0.00 C ATOM 1023 O GLU A 64 37.339 52.139 30.425 1.00 0.00 O ATOM 1024 CB GLU A 64 35.176 53.781 29.610 1.00 0.00 C ATOM 1025 CG GLU A 64 34.349 54.913 29.009 1.00 0.00 C ATOM 1026 CD GLU A 64 35.185 56.086 28.495 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.782 56.816 29.316 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.193 56.327 27.268 1.00 0.00 O ATOM 0 H GLU A 64 35.158 52.718 26.726 1.00 0.00 H new ATOM 0 HA GLU A 64 36.619 53.525 28.064 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.511 53.149 30.198 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.897 54.216 30.302 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.752 54.517 28.187 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.651 55.279 29.762 1.00 0.00 H new ATOM 1035 N SER A 65 37.118 50.738 28.706 1.00 0.00 N ATOM 1036 CA SER A 65 38.018 49.729 29.225 1.00 0.00 C ATOM 1037 C SER A 65 39.483 50.067 28.944 1.00 0.00 C ATOM 1038 O SER A 65 39.813 50.481 27.835 1.00 0.00 O ATOM 1039 CB SER A 65 37.743 48.349 28.634 1.00 0.00 C ATOM 1040 OG SER A 65 36.400 47.955 28.802 1.00 0.00 O ATOM 0 H SER A 65 36.696 50.482 27.814 1.00 0.00 H new ATOM 0 HA SER A 65 37.837 49.713 30.300 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.988 48.355 27.572 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.397 47.616 29.107 1.00 0.00 H new ATOM 0 HG SER A 65 35.819 48.535 28.266 1.00 0.00 H new ATOM 1046 N THR A 66 40.370 49.808 29.900 1.00 0.00 N ATOM 1047 CA THR A 66 41.808 49.829 29.719 1.00 0.00 C ATOM 1048 C THR A 66 42.304 48.415 29.409 1.00 0.00 C ATOM 1049 O THR A 66 42.023 47.482 30.158 1.00 0.00 O ATOM 1050 CB THR A 66 42.527 50.379 30.947 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.231 51.742 31.158 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.046 50.314 30.826 1.00 0.00 C ATOM 0 H THR A 66 40.093 49.570 30.852 1.00 0.00 H new ATOM 0 HA THR A 66 42.034 50.493 28.884 1.00 0.00 H new ATOM 0 HB THR A 66 42.176 49.751 31.766 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.707 52.061 31.953 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.501 50.719 31.730 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.357 49.277 30.697 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.368 50.899 29.964 1.00 0.00 H new ATOM 1060 N LEU A 67 43.093 48.275 28.348 1.00 0.00 N ATOM 1061 CA LEU A 67 43.860 47.093 28.013 1.00 0.00 C ATOM 1062 C LEU A 67 45.351 47.398 28.172 1.00 0.00 C ATOM 1063 O LEU A 67 45.799 48.508 27.888 1.00 0.00 O ATOM 1064 CB LEU A 67 43.540 46.629 26.595 1.00 0.00 C ATOM 1065 CG LEU A 67 42.063 46.442 26.259 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.924 45.943 24.824 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.363 45.437 27.169 1.00 0.00 C ATOM 0 H LEU A 67 43.217 49.025 27.668 1.00 0.00 H new ATOM 0 HA LEU A 67 43.592 46.282 28.690 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.960 47.352 25.896 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.052 45.683 26.421 1.00 0.00 H new ATOM 0 HG LEU A 67 41.592 47.415 26.399 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.869 45.810 24.586 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.361 46.672 24.141 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.443 44.990 24.718 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.316 45.350 26.878 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.847 44.465 27.078 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.425 45.777 28.203 1.00 0.00 H new ATOM 1079 N HIS A 68 46.139 46.415 28.597 1.00 0.00 N ATOM 1080 CA HIS A 68 47.566 46.571 28.792 1.00 0.00 C ATOM 1081 C HIS A 68 48.339 45.927 27.639 1.00 0.00 C ATOM 1082 O HIS A 68 48.063 44.791 27.260 1.00 0.00 O ATOM 1083 CB HIS A 68 47.958 45.997 30.150 1.00 0.00 C ATOM 1084 CG HIS A 68 47.330 46.726 31.307 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.895 47.798 31.995 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.138 46.396 31.898 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.023 48.119 32.953 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.964 47.294 32.933 1.00 0.00 N ATOM 0 H HIS A 68 45.795 45.480 28.816 1.00 0.00 H new ATOM 0 HA HIS A 68 47.827 47.629 28.790 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.668 44.947 30.190 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.043 46.032 30.253 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.471 45.596 31.612 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.152 48.933 33.651 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.169 47.325 33.571 1.00 0.00 H new ATOM 1096 N LEU A 69 49.318 46.642 27.091 1.00 0.00 N ATOM 1097 CA LEU A 69 50.218 46.186 26.052 1.00 0.00 C ATOM 1098 C LEU A 69 51.591 45.898 26.663 1.00 0.00 C ATOM 1099 O LEU A 69 52.084 46.683 27.471 1.00 0.00 O ATOM 1100 CB LEU A 69 50.248 47.239 24.948 1.00 0.00 C ATOM 1101 CG LEU A 69 51.347 47.096 23.898 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.208 45.842 23.039 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.316 48.306 22.969 1.00 0.00 C ATOM 0 H LEU A 69 49.509 47.602 27.378 1.00 0.00 H new ATOM 0 HA LEU A 69 49.880 45.252 25.602 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.285 47.225 24.438 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.348 48.219 25.414 1.00 0.00 H new ATOM 0 HG LEU A 69 52.287 47.022 24.445 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.022 45.805 22.315 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.248 44.958 23.676 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.254 45.866 22.512 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.099 48.208 22.218 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.345 48.362 22.476 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.481 49.214 23.549 1.00 0.00 H new ATOM 1115 N VAL A 70 52.215 44.796 26.257 1.00 0.00 N ATOM 1116 CA VAL A 70 53.558 44.401 26.633 1.00 0.00 C ATOM 1117 C VAL A 70 54.322 43.914 25.401 1.00 0.00 C ATOM 1118 O VAL A 70 53.805 43.129 24.609 1.00 0.00 O ATOM 1119 CB VAL A 70 53.529 43.325 27.714 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.927 42.859 28.111 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.844 43.794 28.994 1.00 0.00 C ATOM 0 H VAL A 70 51.772 44.127 25.627 1.00 0.00 H new ATOM 0 HA VAL A 70 54.073 45.269 27.045 1.00 0.00 H new ATOM 0 HB VAL A 70 52.967 42.507 27.263 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.850 42.093 28.883 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.434 42.445 27.239 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.497 43.705 28.495 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.853 42.988 29.728 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.376 44.656 29.396 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.814 44.073 28.774 1.00 0.00 H new ATOM 1131 N LEU A 71 55.565 44.363 25.246 1.00 0.00 N ATOM 1132 CA LEU A 71 56.497 43.841 24.268 1.00 0.00 C ATOM 1133 C LEU A 71 57.006 42.449 24.646 1.00 0.00 C ATOM 1134 O LEU A 71 57.544 42.252 25.733 1.00 0.00 O ATOM 1135 CB LEU A 71 57.671 44.803 24.106 1.00 0.00 C ATOM 1136 CG LEU A 71 57.389 46.042 23.262 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.533 47.037 23.440 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.295 45.688 21.780 1.00 0.00 C ATOM 0 H LEU A 71 55.954 45.117 25.813 1.00 0.00 H new ATOM 0 HA LEU A 71 55.965 43.747 23.321 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.995 45.124 25.096 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.504 44.261 23.658 1.00 0.00 H new ATOM 0 HG LEU A 71 56.441 46.468 23.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.339 47.926 22.840 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.610 47.318 24.490 1.00 0.00 H new ATOM 0 HD13 LEU A 71 59.468 46.578 23.117 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.093 46.590 21.202 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.237 45.249 21.450 1.00 0.00 H new ATOM 0 HD23 LEU A 71 56.488 44.972 21.628 1.00 0.00 H new ATOM 1150 N ARG A 72 56.900 41.504 23.715 1.00 0.00 N ATOM 1151 CA ARG A 72 57.421 40.153 23.774 1.00 0.00 C ATOM 1152 C ARG A 72 58.871 40.104 24.259 1.00 0.00 C ATOM 1153 O ARG A 72 59.688 40.918 23.832 1.00 0.00 O ATOM 1154 CB ARG A 72 57.263 39.557 22.379 1.00 0.00 C ATOM 1155 CG ARG A 72 57.670 38.094 22.229 1.00 0.00 C ATOM 1156 CD ARG A 72 57.531 37.619 20.784 1.00 0.00 C ATOM 1157 NE ARG A 72 58.592 38.140 19.922 1.00 0.00 N ATOM 1158 CZ ARG A 72 58.592 38.158 18.581 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.492 37.892 17.864 1.00 0.00 N ATOM 1160 NH2 ARG A 72 59.690 38.495 17.892 1.00 0.00 N ATOM 0 H ARG A 72 56.411 41.682 22.838 1.00 0.00 H new ATOM 0 HA ARG A 72 56.865 39.568 24.507 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.220 39.656 22.079 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.854 40.152 21.682 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.702 37.967 22.557 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.051 37.475 22.878 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.548 36.529 20.759 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.563 37.931 20.393 1.00 0.00 H new ATOM 0 HE ARG A 72 59.413 38.528 20.387 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.617 37.666 18.337 1.00 0.00 H new ATOM 0 HH12 ARG A 72 57.530 37.915 16.845 1.00 0.00 H new ATOM 0 HH21 ARG A 72 60.546 38.744 18.387 1.00 0.00 H new ATOM 0 HH22 ARG A 72 59.670 38.503 16.872 1.00 0.00 H new ATOM 1174 N LEU A 73 59.190 39.145 25.123 1.00 0.00 N ATOM 1175 CA LEU A 73 60.497 38.967 25.723 1.00 0.00 C ATOM 1176 C LEU A 73 61.595 38.744 24.682 1.00 0.00 C ATOM 1177 O LEU A 73 62.652 39.365 24.779 1.00 0.00 O ATOM 1178 CB LEU A 73 60.421 37.824 26.732 1.00 0.00 C ATOM 1179 CG LEU A 73 61.737 37.451 27.409 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.346 38.597 28.212 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.509 36.275 28.354 1.00 0.00 C ATOM 0 H LEU A 73 58.515 38.446 25.433 1.00 0.00 H new ATOM 0 HA LEU A 73 60.775 39.886 26.239 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.700 38.092 27.504 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.031 36.941 26.225 1.00 0.00 H new ATOM 0 HG LEU A 73 62.434 37.196 26.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 63.279 38.266 28.668 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.544 39.440 27.550 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.650 38.904 28.993 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.449 36.009 28.837 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.777 36.554 29.112 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.137 35.421 27.788 1.00 0.00 H new ATOM 1193 N ARG A 74 61.348 37.917 23.670 1.00 0.00 N ATOM 1194 CA ARG A 74 62.166 37.816 22.478 1.00 0.00 C ATOM 1195 C ARG A 74 61.929 39.025 21.572 1.00 0.00 C ATOM 1196 O ARG A 74 60.784 39.323 21.239 1.00 0.00 O ATOM 1197 CB ARG A 74 61.878 36.485 21.789 1.00 0.00 C ATOM 1198 CG ARG A 74 62.825 36.205 20.626 1.00 0.00 C ATOM 1199 CD ARG A 74 62.639 34.805 20.048 1.00 0.00 C ATOM 1200 NE ARG A 74 63.062 33.766 20.987 1.00 0.00 N ATOM 1201 CZ ARG A 74 63.448 32.516 20.697 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.516 32.014 19.456 1.00 0.00 N ATOM 1203 NH2 ARG A 74 63.807 31.700 21.697 1.00 0.00 N ATOM 0 H ARG A 74 60.549 37.283 23.662 1.00 0.00 H new ATOM 0 HA ARG A 74 63.225 37.830 22.736 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.957 35.679 22.518 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.851 36.485 21.424 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.661 36.944 19.841 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.855 36.322 20.963 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.591 34.655 19.789 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.211 34.715 19.125 1.00 0.00 H new ATOM 0 HE ARG A 74 63.063 34.022 21.974 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.264 32.595 18.656 1.00 0.00 H new ATOM 0 HH12 ARG A 74 63.819 31.051 19.311 1.00 0.00 H new ATOM 0 HH21 ARG A 74 63.784 32.033 22.661 1.00 0.00 H new ATOM 0 HH22 ARG A 74 64.104 30.745 21.495 1.00 0.00 H new ATOM 1217 N GLY A 75 62.995 39.699 21.150 1.00 0.00 N ATOM 1218 CA GLY A 75 62.953 40.884 20.318 1.00 0.00 C ATOM 1219 C GLY A 75 62.574 40.611 18.861 1.00 0.00 C ATOM 1220 O GLY A 75 62.255 39.485 18.484 1.00 0.00 O ATOM 0 H GLY A 75 63.946 39.419 21.391 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.237 41.588 20.743 1.00 0.00 H new ATOM 0 HA3 GLY A 75 63.929 41.368 20.344 1.00 0.00 H new ATOM 1224 N GLY A 76 62.612 41.657 18.040 1.00 0.00 N ATOM 1225 CA GLY A 76 62.322 41.632 16.621 1.00 0.00 C ATOM 1226 C GLY A 76 63.239 42.558 15.819 1.00 0.00 C ATOM 1227 O GLY A 76 64.293 42.072 15.353 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.914 43.756 15.676 1.00 0.00 O ATOM 0 H GLY A 76 62.859 42.590 18.370 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.426 40.612 16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 76 61.285 41.925 16.460 1.00 0.00 H new TER 1232 GLY A 76