USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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 7 LYS NZ :NH3+ -125:sc= -0.0536 (180deg=-1.76!) USER MOD Set 1.2: C 29 GLN : amide:sc= -0.0784 K(o=-0.13,f=-5.9!) USER MOD Set 2.1: C 11 SER OG : rot -84:sc= 0.364 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0.315 USER MOD Set 3.1: C 13 ASN : amide:sc= -0.0627 K(o=-0.063,f=-0.93) USER MOD Set 3.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 13 ASN : amide:sc= 0.82 K(o=0.82,f=-3.1!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0.561 USER MOD Set 5.2: A 21 THR OG1 : rot -73:sc= 0.623 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.0118 (180deg=-0.254) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00982 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.24 F(o=-1.8,f=-1.2) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 35 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0705 (180deg=-0.446) USER MOD Single : A 43 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-2.8!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -129:sc= 0 (180deg=-0.171) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= -0.0868 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.304 F(o=-0.88,f=-0.3) USER MOD Single : C 35 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 159:sc= -0.0703 (180deg=-0.432) USER MOD Single : C 43 HIS : no HE2:sc= -3.03 K(o=-3,f=-5!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.978 -5.114 -11.387 1.00 0.00 N ATOM 2 CA MET A 1 -5.904 -4.257 -10.187 1.00 0.00 C ATOM 3 C MET A 1 -7.000 -4.626 -9.198 1.00 0.00 C ATOM 4 O MET A 1 -8.139 -4.851 -9.595 1.00 0.00 O ATOM 5 CB MET A 1 -6.036 -2.783 -10.577 1.00 0.00 C ATOM 6 CG MET A 1 -5.712 -1.834 -9.426 1.00 0.00 C ATOM 7 SD MET A 1 -3.944 -1.601 -9.135 1.00 0.00 S ATOM 8 CE MET A 1 -3.635 -0.488 -10.530 1.00 0.00 C ATOM 0 H1 MET A 1 -5.840 -4.532 -12.238 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.236 -5.841 -11.341 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.910 -5.573 -11.429 1.00 0.00 H new ATOM 0 HA MET A 1 -4.935 -4.416 -9.714 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.370 -2.572 -11.414 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.052 -2.593 -10.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.166 -0.864 -9.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.172 -2.216 -8.514 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.824 -0.886 -11.140 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.537 -0.404 -11.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.357 0.497 -10.155 1.00 0.00 H new ATOM 20 N LEU A 2 -6.649 -4.680 -7.912 1.00 0.00 N ATOM 21 CA LEU A 2 -7.595 -4.859 -6.831 1.00 0.00 C ATOM 22 C LEU A 2 -7.452 -3.616 -5.963 1.00 0.00 C ATOM 23 O LEU A 2 -6.342 -3.266 -5.562 1.00 0.00 O ATOM 24 CB LEU A 2 -7.287 -6.176 -6.106 1.00 0.00 C ATOM 25 CG LEU A 2 -8.248 -6.524 -4.964 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.908 -5.763 -3.687 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.704 -6.238 -5.339 1.00 0.00 C ATOM 0 H LEU A 2 -5.682 -4.598 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.632 -4.948 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.302 -6.987 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.274 -6.126 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.129 -7.593 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.612 -6.037 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.896 -6.016 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.973 -4.691 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.353 -6.498 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.819 -5.179 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.979 -6.833 -6.210 1.00 0.00 H new ATOM 39 N ILE A 3 -8.568 -2.946 -5.674 1.00 0.00 N ATOM 40 CA ILE A 3 -8.525 -1.612 -5.096 1.00 0.00 C ATOM 41 C ILE A 3 -9.267 -1.566 -3.775 1.00 0.00 C ATOM 42 O ILE A 3 -10.286 -2.229 -3.594 1.00 0.00 O ATOM 43 CB ILE A 3 -9.124 -0.638 -6.116 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.288 -0.761 -7.395 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.119 0.807 -5.616 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.926 -0.038 -8.569 1.00 0.00 C ATOM 0 H ILE A 3 -9.508 -3.308 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.495 -1.328 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.169 -0.893 -6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.293 -0.354 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.161 -1.814 -7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.554 1.456 -6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.706 0.877 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.094 1.119 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.298 -0.153 -9.452 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.910 -0.462 -8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.028 1.021 -8.332 1.00 0.00 H new ATOM 58 N LEU A 4 -8.725 -0.764 -2.858 1.00 0.00 N ATOM 59 CA LEU A 4 -9.200 -0.638 -1.496 1.00 0.00 C ATOM 60 C LEU A 4 -9.065 0.814 -1.054 1.00 0.00 C ATOM 61 O LEU A 4 -8.255 1.566 -1.601 1.00 0.00 O ATOM 62 CB LEU A 4 -8.396 -1.582 -0.592 1.00 0.00 C ATOM 63 CG LEU A 4 -8.602 -3.049 -0.981 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.663 -3.943 -0.185 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.027 -3.505 -0.682 1.00 0.00 C ATOM 0 H LEU A 4 -7.920 -0.170 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.251 -0.918 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.337 -1.333 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.695 -1.435 0.446 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.402 -3.127 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.820 -4.983 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.630 -3.662 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.865 -3.826 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.142 -4.550 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.227 -3.397 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.731 -2.894 -1.247 1.00 0.00 H new ATOM 77 N THR A 5 -9.858 1.214 -0.062 1.00 0.00 N ATOM 78 CA THR A 5 -9.898 2.593 0.391 1.00 0.00 C ATOM 79 C THR A 5 -9.774 2.617 1.907 1.00 0.00 C ATOM 80 O THR A 5 -10.328 1.762 2.599 1.00 0.00 O ATOM 81 CB THR A 5 -11.193 3.249 -0.088 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.330 3.035 -1.475 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.188 4.750 0.175 1.00 0.00 C ATOM 0 H THR A 5 -10.486 0.591 0.445 1.00 0.00 H new ATOM 0 HA THR A 5 -9.067 3.161 -0.027 1.00 0.00 H new ATOM 0 HB THR A 5 -12.023 2.804 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.159 3.451 -1.790 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.123 5.184 -0.178 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.084 4.932 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.353 5.209 -0.354 1.00 0.00 H new ATOM 91 N ARG A 6 -9.035 3.604 2.418 1.00 0.00 N ATOM 92 CA ARG A 6 -8.671 3.702 3.821 1.00 0.00 C ATOM 93 C ARG A 6 -8.640 5.156 4.252 1.00 0.00 C ATOM 94 O ARG A 6 -8.838 6.058 3.447 1.00 0.00 O ATOM 95 CB ARG A 6 -7.266 3.112 4.003 1.00 0.00 C ATOM 96 CG ARG A 6 -7.132 1.621 3.669 1.00 0.00 C ATOM 97 CD ARG A 6 -7.587 0.718 4.813 1.00 0.00 C ATOM 98 NE ARG A 6 -9.033 0.755 5.030 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.677 -0.033 5.893 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.019 -0.964 6.582 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.987 0.104 6.071 1.00 0.00 N ATOM 0 H ARG A 6 -8.669 4.369 1.852 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.402 3.161 4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.571 3.671 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.957 3.265 5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.721 1.398 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.093 1.399 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.283 -0.307 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.080 1.019 5.730 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.582 1.423 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.014 -1.079 6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.520 -1.561 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.501 0.812 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.478 -0.499 6.731 1.00 0.00 H new ATOM 115 N LYS A 7 -8.382 5.359 5.540 1.00 0.00 N ATOM 116 CA LYS A 7 -8.185 6.666 6.135 1.00 0.00 C ATOM 117 C LYS A 7 -6.881 6.620 6.910 1.00 0.00 C ATOM 118 O LYS A 7 -6.446 5.545 7.313 1.00 0.00 O ATOM 119 CB LYS A 7 -9.352 7.010 7.055 1.00 0.00 C ATOM 120 CG LYS A 7 -10.415 7.842 6.342 1.00 0.00 C ATOM 121 CD LYS A 7 -11.475 8.273 7.361 1.00 0.00 C ATOM 122 CE LYS A 7 -12.254 9.479 6.845 1.00 0.00 C ATOM 123 NZ LYS A 7 -13.057 9.149 5.653 1.00 0.00 N ATOM 0 H LYS A 7 -8.303 4.596 6.212 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.139 7.438 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.802 6.091 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.982 7.559 7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.960 8.717 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.875 7.261 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.159 7.447 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.997 8.520 8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.910 9.851 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.559 10.283 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.813 9.799 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.857 8.171 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.068 9.243 5.878 1.00 0.00 H new ATOM 137 N VAL A 8 -6.257 7.781 7.123 1.00 0.00 N ATOM 138 CA VAL A 8 -4.957 7.804 7.773 1.00 0.00 C ATOM 139 C VAL A 8 -5.006 7.090 9.121 1.00 0.00 C ATOM 140 O VAL A 8 -5.725 7.492 10.033 1.00 0.00 O ATOM 141 CB VAL A 8 -4.406 9.229 7.866 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.218 9.763 6.447 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.294 10.204 8.624 1.00 0.00 C ATOM 0 H VAL A 8 -6.625 8.695 6.860 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.252 7.248 7.155 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.473 9.161 8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.825 10.779 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.517 9.125 5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.177 9.766 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.824 11.188 8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.263 10.272 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.431 9.852 9.646 1.00 0.00 H new ATOM 153 N GLY A 9 -4.221 6.014 9.228 1.00 0.00 N ATOM 154 CA GLY A 9 -4.134 5.187 10.429 1.00 0.00 C ATOM 155 C GLY A 9 -4.652 3.767 10.206 1.00 0.00 C ATOM 156 O GLY A 9 -4.361 2.878 11.010 1.00 0.00 O ATOM 0 H GLY A 9 -3.620 5.691 8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.097 5.143 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.705 5.656 11.230 1.00 0.00 H new ATOM 160 N GLU A 10 -5.414 3.532 9.131 1.00 0.00 N ATOM 161 CA GLU A 10 -5.970 2.215 8.829 1.00 0.00 C ATOM 162 C GLU A 10 -4.967 1.356 8.049 1.00 0.00 C ATOM 163 O GLU A 10 -3.881 1.825 7.716 1.00 0.00 O ATOM 164 CB GLU A 10 -7.277 2.370 8.053 1.00 0.00 C ATOM 165 CG GLU A 10 -8.324 3.109 8.890 1.00 0.00 C ATOM 166 CD GLU A 10 -9.676 3.129 8.184 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.681 3.228 6.937 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.699 3.047 8.898 1.00 0.00 O ATOM 0 H GLU A 10 -5.660 4.250 8.450 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.178 1.702 9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.093 2.917 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.657 1.388 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.425 2.626 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.992 4.130 9.075 1.00 0.00 H new ATOM 175 N SER A 11 -5.326 0.099 7.762 1.00 0.00 N ATOM 176 CA SER A 11 -4.395 -0.864 7.177 1.00 0.00 C ATOM 177 C SER A 11 -5.046 -1.770 6.134 1.00 0.00 C ATOM 178 O SER A 11 -6.268 -1.825 6.004 1.00 0.00 O ATOM 179 CB SER A 11 -3.793 -1.721 8.296 1.00 0.00 C ATOM 180 OG SER A 11 -3.056 -0.909 9.187 1.00 0.00 O ATOM 0 H SER A 11 -6.261 -0.273 7.928 1.00 0.00 H new ATOM 0 HA SER A 11 -3.622 -0.295 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.587 -2.238 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.145 -2.487 7.870 1.00 0.00 H new ATOM 0 HG SER A 11 -2.677 -1.465 9.899 1.00 0.00 H new ATOM 186 N ILE A 12 -4.190 -2.484 5.396 1.00 0.00 N ATOM 187 CA ILE A 12 -4.522 -3.383 4.296 1.00 0.00 C ATOM 188 C ILE A 12 -3.623 -4.616 4.425 1.00 0.00 C ATOM 189 O ILE A 12 -2.595 -4.549 5.096 1.00 0.00 O ATOM 190 CB ILE A 12 -4.270 -2.659 2.960 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.155 -1.415 2.786 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.457 -3.588 1.756 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.638 -1.757 2.627 1.00 0.00 C ATOM 0 H ILE A 12 -3.185 -2.444 5.565 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.569 -3.684 4.327 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.229 -2.337 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.028 -0.762 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.820 -0.857 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.269 -3.034 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.758 -4.421 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.478 -3.971 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.213 -0.838 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.774 -2.387 1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.985 -2.290 3.512 1.00 0.00 H new ATOM 205 N ASN A 13 -3.984 -5.740 3.799 1.00 0.00 N ATOM 206 CA ASN A 13 -3.243 -6.980 3.969 1.00 0.00 C ATOM 207 C ASN A 13 -2.929 -7.659 2.636 1.00 0.00 C ATOM 208 O ASN A 13 -3.671 -7.510 1.662 1.00 0.00 O ATOM 209 CB ASN A 13 -4.060 -7.917 4.863 1.00 0.00 C ATOM 210 CG ASN A 13 -4.460 -7.240 6.164 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.561 -6.703 6.273 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.585 -7.250 7.161 1.00 0.00 N ATOM 0 H ASN A 13 -4.785 -5.810 3.172 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.284 -6.747 4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.954 -8.241 4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.478 -8.812 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.818 -6.804 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.679 -7.704 7.040 1.00 0.00 H new ATOM 219 N ILE A 14 -1.821 -8.408 2.613 1.00 0.00 N ATOM 220 CA ILE A 14 -1.353 -9.128 1.433 1.00 0.00 C ATOM 221 C ILE A 14 -0.766 -10.464 1.881 1.00 0.00 C ATOM 222 O ILE A 14 0.025 -10.519 2.823 1.00 0.00 O ATOM 223 CB ILE A 14 -0.276 -8.311 0.700 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.829 -6.936 0.291 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.227 -9.093 -0.520 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.230 -6.073 -0.388 1.00 0.00 C ATOM 0 H ILE A 14 -1.219 -8.530 3.427 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.187 -9.291 0.750 1.00 0.00 H new ATOM 0 HB ILE A 14 0.565 -8.142 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.674 -7.071 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.206 -6.420 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.990 -8.510 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.654 -10.041 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.605 -9.284 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.204 -5.111 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.064 -5.914 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.588 -6.576 -1.286 1.00 0.00 H new ATOM 238 N GLY A 15 -1.149 -11.546 1.199 1.00 0.00 N ATOM 239 CA GLY A 15 -0.689 -12.884 1.530 1.00 0.00 C ATOM 240 C GLY A 15 -0.950 -13.187 3.000 1.00 0.00 C ATOM 241 O GLY A 15 -1.953 -12.751 3.564 1.00 0.00 O ATOM 0 H GLY A 15 -1.786 -11.512 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.200 -13.616 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.376 -12.972 1.318 1.00 0.00 H new ATOM 245 N ASP A 16 -0.040 -13.938 3.623 1.00 0.00 N ATOM 246 CA ASP A 16 -0.099 -14.263 5.041 1.00 0.00 C ATOM 247 C ASP A 16 1.199 -13.845 5.736 1.00 0.00 C ATOM 248 O ASP A 16 1.477 -14.282 6.853 1.00 0.00 O ATOM 249 CB ASP A 16 -0.431 -15.747 5.233 1.00 0.00 C ATOM 250 CG ASP A 16 0.660 -16.665 4.683 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.811 -16.705 3.443 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.336 -17.322 5.507 1.00 0.00 O ATOM 0 H ASP A 16 0.767 -14.341 3.147 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.903 -13.698 5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.572 -15.950 6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.375 -15.972 4.737 1.00 0.00 H new ATOM 257 N ASP A 17 1.997 -12.993 5.077 1.00 0.00 N ATOM 258 CA ASP A 17 3.276 -12.526 5.600 1.00 0.00 C ATOM 259 C ASP A 17 3.460 -11.015 5.420 1.00 0.00 C ATOM 260 O ASP A 17 4.503 -10.492 5.809 1.00 0.00 O ATOM 261 CB ASP A 17 4.424 -13.265 4.905 1.00 0.00 C ATOM 262 CG ASP A 17 4.372 -14.770 5.139 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.655 -15.189 6.284 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.050 -15.492 4.170 1.00 0.00 O ATOM 0 H ASP A 17 1.766 -12.610 4.160 1.00 0.00 H new ATOM 0 HA ASP A 17 3.285 -12.737 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.386 -13.065 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.375 -12.876 5.268 1.00 0.00 H new ATOM 269 N ILE A 18 2.482 -10.298 4.848 1.00 0.00 N ATOM 270 CA ILE A 18 2.641 -8.865 4.621 1.00 0.00 C ATOM 271 C ILE A 18 1.392 -8.092 5.037 1.00 0.00 C ATOM 272 O ILE A 18 0.267 -8.578 4.926 1.00 0.00 O ATOM 273 CB ILE A 18 2.968 -8.590 3.143 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.188 -9.376 2.648 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.240 -7.092 2.932 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.746 -10.672 1.964 1.00 0.00 C ATOM 0 H ILE A 18 1.589 -10.684 4.541 1.00 0.00 H new ATOM 0 HA ILE A 18 3.470 -8.521 5.239 1.00 0.00 H new ATOM 0 HB ILE A 18 2.099 -8.914 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.763 -8.767 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.845 -9.606 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.470 -6.908 1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.357 -6.518 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.085 -6.785 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.623 -11.218 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.192 -11.287 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.108 -10.435 1.113 1.00 0.00 H new ATOM 288 N THR A 19 1.618 -6.869 5.518 1.00 0.00 N ATOM 289 CA THR A 19 0.574 -5.923 5.891 1.00 0.00 C ATOM 290 C THR A 19 1.028 -4.533 5.462 1.00 0.00 C ATOM 291 O THR A 19 2.224 -4.286 5.331 1.00 0.00 O ATOM 292 CB THR A 19 0.325 -6.012 7.399 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.168 -7.297 7.716 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.696 -4.990 7.887 1.00 0.00 C ATOM 0 H THR A 19 2.559 -6.502 5.662 1.00 0.00 H new ATOM 0 HA THR A 19 -0.370 -6.150 5.395 1.00 0.00 H new ATOM 0 HB THR A 19 1.277 -5.810 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.327 -7.357 8.681 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.834 -5.098 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.338 -3.984 7.666 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.647 -5.156 7.381 1.00 0.00 H new ATOM 302 N ILE A 20 0.070 -3.629 5.245 1.00 0.00 N ATOM 303 CA ILE A 20 0.320 -2.274 4.769 1.00 0.00 C ATOM 304 C ILE A 20 -0.480 -1.310 5.637 1.00 0.00 C ATOM 305 O ILE A 20 -1.552 -1.669 6.120 1.00 0.00 O ATOM 306 CB ILE A 20 -0.122 -2.160 3.303 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.548 -3.210 2.401 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.151 -0.756 2.753 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.047 -2.979 2.234 1.00 0.00 C ATOM 0 H ILE A 20 -0.919 -3.826 5.399 1.00 0.00 H new ATOM 0 HA ILE A 20 1.381 -2.034 4.832 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.195 -2.350 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.383 -4.202 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.072 -3.197 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.172 -0.703 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.399 -0.022 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.218 -0.543 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.464 -3.751 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.217 -2.000 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.532 -3.021 3.209 1.00 0.00 H new ATOM 321 N THR A 21 0.026 -0.094 5.840 1.00 0.00 N ATOM 322 CA THR A 21 -0.633 0.881 6.696 1.00 0.00 C ATOM 323 C THR A 21 -0.417 2.295 6.167 1.00 0.00 C ATOM 324 O THR A 21 0.713 2.693 5.894 1.00 0.00 O ATOM 325 CB THR A 21 -0.061 0.779 8.115 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.194 -0.537 8.605 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.781 1.721 9.078 1.00 0.00 C ATOM 0 H THR A 21 0.894 0.237 5.419 1.00 0.00 H new ATOM 0 HA THR A 21 -1.702 0.670 6.707 1.00 0.00 H new ATOM 0 HB THR A 21 0.991 1.059 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.134 -0.714 8.817 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.350 1.622 10.074 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.668 2.749 8.734 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.840 1.465 9.114 1.00 0.00 H new ATOM 335 N ILE A 22 -1.503 3.054 6.019 1.00 0.00 N ATOM 336 CA ILE A 22 -1.444 4.447 5.617 1.00 0.00 C ATOM 337 C ILE A 22 -1.123 5.277 6.858 1.00 0.00 C ATOM 338 O ILE A 22 -2.016 5.631 7.626 1.00 0.00 O ATOM 339 CB ILE A 22 -2.757 4.851 4.922 1.00 0.00 C ATOM 340 CG1 ILE A 22 -2.900 6.366 4.741 1.00 0.00 C ATOM 341 CG2 ILE A 22 -3.994 4.352 5.674 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.715 6.955 3.992 1.00 0.00 C ATOM 0 H ILE A 22 -2.451 2.711 6.177 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.658 4.624 4.883 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.700 4.376 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.819 6.583 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.988 6.843 5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.893 4.663 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.968 3.264 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.003 4.773 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.852 8.031 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.799 6.761 4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.644 6.496 3.006 1.00 0.00 H new ATOM 354 N LEU A 23 0.158 5.592 7.074 1.00 0.00 N ATOM 355 CA LEU A 23 0.556 6.276 8.301 1.00 0.00 C ATOM 356 C LEU A 23 -0.026 7.690 8.330 1.00 0.00 C ATOM 357 O LEU A 23 -0.334 8.207 9.404 1.00 0.00 O ATOM 358 CB LEU A 23 2.083 6.332 8.436 1.00 0.00 C ATOM 359 CG LEU A 23 2.818 5.089 7.922 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.316 5.282 8.153 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.391 3.811 8.634 1.00 0.00 C ATOM 0 H LEU A 23 0.921 5.388 6.428 1.00 0.00 H new ATOM 0 HA LEU A 23 0.162 5.709 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.450 7.204 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.336 6.479 9.486 1.00 0.00 H new ATOM 0 HG LEU A 23 2.573 4.980 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.856 4.406 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.657 6.165 7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.506 5.412 9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.945 2.965 8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.598 3.902 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.323 3.651 8.484 1.00 0.00 H new ATOM 373 N GLY A 24 -0.180 8.309 7.156 1.00 0.00 N ATOM 374 CA GLY A 24 -0.824 9.607 7.030 1.00 0.00 C ATOM 375 C GLY A 24 -0.474 10.285 5.711 1.00 0.00 C ATOM 376 O GLY A 24 0.132 9.666 4.835 1.00 0.00 O ATOM 0 H GLY A 24 0.140 7.919 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.905 9.485 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.520 10.246 7.859 1.00 0.00 H new ATOM 380 N VAL A 25 -0.850 11.558 5.557 1.00 0.00 N ATOM 381 CA VAL A 25 -0.522 12.324 4.360 1.00 0.00 C ATOM 382 C VAL A 25 0.180 13.622 4.733 1.00 0.00 C ATOM 383 O VAL A 25 0.250 13.994 5.905 1.00 0.00 O ATOM 384 CB VAL A 25 -1.758 12.576 3.478 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.650 11.337 3.384 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.602 13.754 3.967 1.00 0.00 C ATOM 0 H VAL A 25 -1.384 12.078 6.253 1.00 0.00 H new ATOM 0 HA VAL A 25 0.166 11.727 3.761 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.364 12.818 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.511 11.556 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.083 10.513 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.992 11.058 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.460 13.885 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.950 13.556 4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.998 14.661 3.962 1.00 0.00 H new ATOM 396 N SER A 26 0.708 14.309 3.720 1.00 0.00 N ATOM 397 CA SER A 26 1.457 15.549 3.866 1.00 0.00 C ATOM 398 C SER A 26 1.097 16.463 2.702 1.00 0.00 C ATOM 399 O SER A 26 1.962 17.091 2.093 1.00 0.00 O ATOM 400 CB SER A 26 2.948 15.230 3.850 1.00 0.00 C ATOM 401 OG SER A 26 3.356 14.740 5.108 1.00 0.00 O ATOM 0 H SER A 26 0.622 14.007 2.750 1.00 0.00 H new ATOM 0 HA SER A 26 1.213 16.044 4.806 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.161 14.491 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.516 16.126 3.599 1.00 0.00 H new ATOM 0 HG SER A 26 4.314 14.537 5.085 1.00 0.00 H new ATOM 407 N GLY A 27 -0.200 16.537 2.398 1.00 0.00 N ATOM 408 CA GLY A 27 -0.692 17.217 1.219 1.00 0.00 C ATOM 409 C GLY A 27 -1.103 16.163 0.202 1.00 0.00 C ATOM 410 O GLY A 27 -1.626 15.110 0.573 1.00 0.00 O ATOM 0 H GLY A 27 -0.935 16.122 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.541 17.852 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.079 17.866 0.804 1.00 0.00 H new ATOM 414 N GLN A 28 -0.869 16.431 -1.084 1.00 0.00 N ATOM 415 CA GLN A 28 -1.160 15.474 -2.138 1.00 0.00 C ATOM 416 C GLN A 28 -0.081 14.390 -2.214 1.00 0.00 C ATOM 417 O GLN A 28 -0.099 13.542 -3.113 1.00 0.00 O ATOM 418 CB GLN A 28 -1.355 16.240 -3.448 1.00 0.00 C ATOM 419 CG GLN A 28 -2.659 15.839 -4.148 1.00 0.00 C ATOM 420 CD GLN A 28 -3.886 15.889 -3.234 1.00 0.00 C ATOM 421 OE1 GLN A 28 -3.856 16.658 -2.148 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.876 15.219 -3.515 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.476 17.312 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.084 14.937 -1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.364 17.311 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.512 16.048 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.823 16.500 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.553 14.829 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.877 14.637 -4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.698 15.245 -2.911 1.00 0.00 H new ATOM 431 N GLN A 29 0.859 14.423 -1.261 1.00 0.00 N ATOM 432 CA GLN A 29 1.819 13.358 -1.045 1.00 0.00 C ATOM 433 C GLN A 29 1.378 12.549 0.172 1.00 0.00 C ATOM 434 O GLN A 29 0.614 13.035 1.005 1.00 0.00 O ATOM 435 CB GLN A 29 3.238 13.925 -0.917 1.00 0.00 C ATOM 436 CG GLN A 29 3.540 14.509 0.457 1.00 0.00 C ATOM 437 CD GLN A 29 4.968 15.043 0.508 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.410 15.744 -0.399 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.704 14.720 1.567 1.00 0.00 N ATOM 0 H GLN A 29 0.967 15.205 -0.615 1.00 0.00 H new ATOM 0 HA GLN A 29 1.849 12.685 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.957 13.134 -1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.380 14.699 -1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.837 15.312 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.404 13.744 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.309 14.136 2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.664 15.056 1.643 1.00 0.00 H new ATOM 448 N VAL A 30 1.854 11.311 0.284 1.00 0.00 N ATOM 449 CA VAL A 30 1.338 10.343 1.237 1.00 0.00 C ATOM 450 C VAL A 30 2.486 9.541 1.851 1.00 0.00 C ATOM 451 O VAL A 30 3.507 9.329 1.199 1.00 0.00 O ATOM 452 CB VAL A 30 0.369 9.414 0.487 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.305 8.440 1.447 1.00 0.00 C ATOM 454 CG2 VAL A 30 -0.742 10.191 -0.221 1.00 0.00 C ATOM 0 H VAL A 30 2.616 10.952 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 30 0.817 10.849 2.050 1.00 0.00 H new ATOM 0 HB VAL A 30 0.973 8.882 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.985 7.794 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.453 7.831 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.865 8.998 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.402 9.494 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.315 10.757 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.302 10.877 -0.945 1.00 0.00 H new ATOM 464 N ARG A 31 2.312 9.093 3.102 1.00 0.00 N ATOM 465 CA ARG A 31 3.279 8.247 3.784 1.00 0.00 C ATOM 466 C ARG A 31 2.609 6.936 4.156 1.00 0.00 C ATOM 467 O ARG A 31 1.561 6.919 4.804 1.00 0.00 O ATOM 468 CB ARG A 31 3.808 8.909 5.056 1.00 0.00 C ATOM 469 CG ARG A 31 5.060 9.736 4.773 1.00 0.00 C ATOM 470 CD ARG A 31 5.900 9.782 6.048 1.00 0.00 C ATOM 471 NE ARG A 31 5.176 10.440 7.139 1.00 0.00 N ATOM 472 CZ ARG A 31 5.446 10.261 8.435 1.00 0.00 C ATOM 473 NH1 ARG A 31 6.427 9.452 8.820 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.733 10.890 9.362 1.00 0.00 N ATOM 0 H ARG A 31 1.490 9.313 3.665 1.00 0.00 H new ATOM 0 HA ARG A 31 4.120 8.079 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.036 9.549 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.035 8.144 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.631 9.293 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.787 10.744 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.168 8.768 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.831 10.314 5.854 1.00 0.00 H new ATOM 0 HE ARG A 31 4.417 11.076 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.984 8.959 8.123 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.623 9.324 9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.975 11.514 9.086 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.944 10.749 10.350 1.00 0.00 H new ATOM 488 N ILE A 32 3.234 5.840 3.736 1.00 0.00 N ATOM 489 CA ILE A 32 2.681 4.507 3.871 1.00 0.00 C ATOM 490 C ILE A 32 3.781 3.579 4.359 1.00 0.00 C ATOM 491 O ILE A 32 4.923 3.660 3.906 1.00 0.00 O ATOM 492 CB ILE A 32 2.134 4.069 2.506 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.961 4.970 2.105 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.666 2.614 2.550 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.680 4.906 0.606 1.00 0.00 C ATOM 0 H ILE A 32 4.150 5.859 3.287 1.00 0.00 H new ATOM 0 HA ILE A 32 1.864 4.481 4.592 1.00 0.00 H new ATOM 0 HB ILE A 32 2.934 4.156 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.069 4.670 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.180 5.999 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.282 2.325 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.504 1.970 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.877 2.508 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.159 5.559 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.563 5.231 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.435 3.882 0.325 1.00 0.00 H new ATOM 507 N GLY A 33 3.424 2.696 5.291 1.00 0.00 N ATOM 508 CA GLY A 33 4.348 1.745 5.874 1.00 0.00 C ATOM 509 C GLY A 33 4.025 0.344 5.393 1.00 0.00 C ATOM 510 O GLY A 33 2.924 0.072 4.917 1.00 0.00 O ATOM 0 H GLY A 33 2.476 2.626 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.371 2.005 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.288 1.788 6.962 1.00 0.00 H new ATOM 514 N ILE A 34 5.006 -0.544 5.519 1.00 0.00 N ATOM 515 CA ILE A 34 4.920 -1.917 5.067 1.00 0.00 C ATOM 516 C ILE A 34 5.468 -2.780 6.188 1.00 0.00 C ATOM 517 O ILE A 34 6.371 -2.365 6.913 1.00 0.00 O ATOM 518 CB ILE A 34 5.723 -2.075 3.768 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.202 -1.081 2.722 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.619 -3.509 3.237 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.052 -1.081 1.452 1.00 0.00 C ATOM 0 H ILE A 34 5.902 -0.317 5.950 1.00 0.00 H new ATOM 0 HA ILE A 34 3.896 -2.217 4.845 1.00 0.00 H new ATOM 0 HB ILE A 34 6.773 -1.866 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.172 -1.330 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.191 -0.079 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.195 -3.599 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.013 -4.202 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.575 -3.748 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.644 -0.362 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.077 -0.805 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.042 -2.076 1.007 1.00 0.00 H new ATOM 533 N ASN A 35 4.923 -3.982 6.331 1.00 0.00 N ATOM 534 CA ASN A 35 5.257 -4.855 7.440 1.00 0.00 C ATOM 535 C ASN A 35 5.407 -6.275 6.911 1.00 0.00 C ATOM 536 O ASN A 35 4.429 -7.020 6.820 1.00 0.00 O ATOM 537 CB ASN A 35 4.163 -4.747 8.507 1.00 0.00 C ATOM 538 CG ASN A 35 4.490 -5.564 9.750 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.602 -6.064 9.911 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.512 -5.703 10.643 1.00 0.00 N ATOM 0 H ASN A 35 4.240 -4.374 5.682 1.00 0.00 H new ATOM 0 HA ASN A 35 6.200 -4.565 7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.031 -3.701 8.786 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.215 -5.087 8.089 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.672 -6.239 11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.602 -5.273 10.474 1.00 0.00 H new ATOM 547 N ALA A 36 6.640 -6.641 6.565 1.00 0.00 N ATOM 548 CA ALA A 36 6.953 -7.937 5.989 1.00 0.00 C ATOM 549 C ALA A 36 8.294 -8.444 6.507 1.00 0.00 C ATOM 550 O ALA A 36 9.126 -7.656 6.955 1.00 0.00 O ATOM 551 CB ALA A 36 7.018 -7.783 4.472 1.00 0.00 C ATOM 0 H ALA A 36 7.454 -6.037 6.680 1.00 0.00 H new ATOM 0 HA ALA A 36 6.183 -8.656 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.252 -8.746 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.056 -7.431 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.793 -7.062 4.212 1.00 0.00 H new ATOM 557 N PRO A 37 8.509 -9.765 6.450 1.00 0.00 N ATOM 558 CA PRO A 37 9.786 -10.385 6.742 1.00 0.00 C ATOM 559 C PRO A 37 10.834 -10.044 5.694 1.00 0.00 C ATOM 560 O PRO A 37 10.510 -9.650 4.576 1.00 0.00 O ATOM 561 CB PRO A 37 9.509 -11.891 6.710 1.00 0.00 C ATOM 562 CG PRO A 37 8.262 -12.045 5.844 1.00 0.00 C ATOM 563 CD PRO A 37 7.508 -10.751 6.093 1.00 0.00 C ATOM 0 HA PRO A 37 10.177 -10.037 7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.352 -12.438 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.344 -12.283 7.713 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.515 -12.168 4.791 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.675 -12.916 6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.958 -10.443 5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.778 -10.873 6.893 1.00 0.00 H new ATOM 571 N LYS A 38 12.101 -10.208 6.071 1.00 0.00 N ATOM 572 CA LYS A 38 13.217 -10.084 5.144 1.00 0.00 C ATOM 573 C LYS A 38 13.198 -11.234 4.139 1.00 0.00 C ATOM 574 O LYS A 38 14.052 -11.320 3.257 1.00 0.00 O ATOM 575 CB LYS A 38 14.524 -10.018 5.927 1.00 0.00 C ATOM 576 CG LYS A 38 14.580 -8.766 6.817 1.00 0.00 C ATOM 577 CD LYS A 38 14.444 -7.503 5.977 1.00 0.00 C ATOM 578 CE LYS A 38 14.701 -6.263 6.822 1.00 0.00 C ATOM 579 NZ LYS A 38 16.088 -6.222 7.327 1.00 0.00 N ATOM 0 H LYS A 38 12.379 -10.430 7.027 1.00 0.00 H new ATOM 0 HA LYS A 38 13.126 -9.160 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.626 -10.910 6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.365 -10.012 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.781 -8.804 7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.522 -8.745 7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.149 -7.535 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.444 -7.454 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.504 -5.371 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.007 -6.246 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.331 -5.247 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.173 -6.842 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.738 -6.548 6.583 1.00 0.00 H new ATOM 593 N ASP A 39 12.211 -12.120 4.282 1.00 0.00 N ATOM 594 CA ASP A 39 11.929 -13.186 3.340 1.00 0.00 C ATOM 595 C ASP A 39 11.456 -12.596 2.010 1.00 0.00 C ATOM 596 O ASP A 39 11.412 -13.292 0.998 1.00 0.00 O ATOM 597 CB ASP A 39 10.822 -14.057 3.935 1.00 0.00 C ATOM 598 CG ASP A 39 10.770 -15.429 3.268 1.00 0.00 C ATOM 599 OD1 ASP A 39 11.795 -16.147 3.331 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.703 -15.753 2.699 1.00 0.00 O ATOM 0 H ASP A 39 11.574 -12.109 5.079 1.00 0.00 H new ATOM 0 HA ASP A 39 12.827 -13.776 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.988 -14.178 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.861 -13.557 3.816 1.00 0.00 H new ATOM 605 N VAL A 40 11.106 -11.305 2.023 1.00 0.00 N ATOM 606 CA VAL A 40 10.615 -10.582 0.859 1.00 0.00 C ATOM 607 C VAL A 40 11.224 -9.182 0.834 1.00 0.00 C ATOM 608 O VAL A 40 11.706 -8.684 1.852 1.00 0.00 O ATOM 609 CB VAL A 40 9.079 -10.511 0.881 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.470 -11.888 1.144 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.562 -9.572 1.973 1.00 0.00 C ATOM 0 H VAL A 40 11.160 -10.728 2.862 1.00 0.00 H new ATOM 0 HA VAL A 40 10.913 -11.111 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 40 8.784 -10.136 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.383 -11.809 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.776 -12.578 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.816 -12.261 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.472 -9.553 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.899 -9.926 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.946 -8.567 1.800 1.00 0.00 H new ATOM 621 N ALA A 41 11.208 -8.542 -0.336 1.00 0.00 N ATOM 622 CA ALA A 41 11.771 -7.208 -0.497 1.00 0.00 C ATOM 623 C ALA A 41 10.650 -6.229 -0.814 1.00 0.00 C ATOM 624 O ALA A 41 9.664 -6.600 -1.451 1.00 0.00 O ATOM 625 CB ALA A 41 12.820 -7.241 -1.609 1.00 0.00 C ATOM 0 H ALA A 41 10.808 -8.932 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 41 12.258 -6.881 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.247 -6.246 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.610 -7.943 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.352 -7.557 -2.541 1.00 0.00 H new ATOM 631 N VAL A 42 10.798 -4.977 -0.371 1.00 0.00 N ATOM 632 CA VAL A 42 9.783 -3.951 -0.579 1.00 0.00 C ATOM 633 C VAL A 42 10.456 -2.602 -0.800 1.00 0.00 C ATOM 634 O VAL A 42 11.112 -2.071 0.093 1.00 0.00 O ATOM 635 CB VAL A 42 8.812 -3.912 0.616 1.00 0.00 C ATOM 636 CG1 VAL A 42 7.991 -5.202 0.665 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.512 -3.784 1.969 1.00 0.00 C ATOM 0 H VAL A 42 11.620 -4.652 0.138 1.00 0.00 H new ATOM 0 HA VAL A 42 9.200 -4.189 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 42 8.192 -3.030 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.307 -5.166 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.420 -5.305 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.660 -6.055 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.766 -3.763 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.176 -4.636 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.093 -2.862 1.992 1.00 0.00 H new ATOM 647 N HIS A 43 10.295 -2.040 -2.003 1.00 0.00 N ATOM 648 CA HIS A 43 10.942 -0.776 -2.343 1.00 0.00 C ATOM 649 C HIS A 43 10.168 -0.028 -3.423 1.00 0.00 C ATOM 650 O HIS A 43 9.279 -0.586 -4.065 1.00 0.00 O ATOM 651 CB HIS A 43 12.358 -1.017 -2.877 1.00 0.00 C ATOM 652 CG HIS A 43 13.163 -2.035 -2.120 1.00 0.00 C ATOM 653 ND1 HIS A 43 13.935 -1.780 -0.981 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.258 -3.358 -2.439 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.468 -2.965 -0.641 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.089 -3.924 -1.502 1.00 0.00 N ATOM 0 H HIS A 43 9.726 -2.439 -2.750 1.00 0.00 H new ATOM 0 HA HIS A 43 10.972 -0.185 -1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.288 -1.334 -3.918 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.898 -0.070 -2.868 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.065 -0.885 -0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.776 -3.861 -3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.114 -3.125 0.210 1.00 0.00 H new ATOM 664 N ARG A 44 10.512 1.249 -3.620 1.00 0.00 N ATOM 665 CA ARG A 44 9.960 2.051 -4.701 1.00 0.00 C ATOM 666 C ARG A 44 10.517 1.543 -6.030 1.00 0.00 C ATOM 667 O ARG A 44 11.588 0.942 -6.049 1.00 0.00 O ATOM 668 CB ARG A 44 10.304 3.522 -4.435 1.00 0.00 C ATOM 669 CG ARG A 44 9.702 4.473 -5.467 1.00 0.00 C ATOM 670 CD ARG A 44 9.876 5.913 -4.980 1.00 0.00 C ATOM 671 NE ARG A 44 9.375 6.876 -5.971 1.00 0.00 N ATOM 672 CZ ARG A 44 10.139 7.498 -6.871 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.449 7.283 -6.920 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.579 8.347 -7.730 1.00 0.00 N ATOM 0 H ARG A 44 11.180 1.749 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 44 8.875 1.967 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.947 3.799 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.388 3.640 -4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.192 4.340 -6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.645 4.250 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.344 6.047 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.930 6.107 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 44 8.376 7.083 -5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.884 6.635 -6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.020 7.766 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.574 8.517 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.155 8.827 -8.421 1.00 0.00 H new ATOM 688 N GLU A 45 9.799 1.781 -7.132 1.00 0.00 N ATOM 689 CA GLU A 45 10.204 1.292 -8.448 1.00 0.00 C ATOM 690 C GLU A 45 11.627 1.721 -8.804 1.00 0.00 C ATOM 691 O GLU A 45 12.322 1.031 -9.541 1.00 0.00 O ATOM 692 CB GLU A 45 9.253 1.842 -9.512 1.00 0.00 C ATOM 693 CG GLU A 45 7.794 1.555 -9.158 1.00 0.00 C ATOM 694 CD GLU A 45 6.878 1.915 -10.324 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.676 3.129 -10.553 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.386 0.971 -10.980 1.00 0.00 O ATOM 0 H GLU A 45 8.929 2.313 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 45 10.168 0.203 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.400 2.917 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.489 1.396 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.675 0.501 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.509 2.127 -8.275 1.00 0.00 H new ATOM 703 N GLU A 46 12.062 2.866 -8.276 1.00 0.00 N ATOM 704 CA GLU A 46 13.385 3.404 -8.562 1.00 0.00 C ATOM 705 C GLU A 46 14.491 2.599 -7.881 1.00 0.00 C ATOM 706 O GLU A 46 15.607 2.540 -8.392 1.00 0.00 O ATOM 707 CB GLU A 46 13.417 4.868 -8.116 1.00 0.00 C ATOM 708 CG GLU A 46 14.686 5.575 -8.584 1.00 0.00 C ATOM 709 CD GLU A 46 14.680 7.045 -8.174 1.00 0.00 C ATOM 710 OE1 GLU A 46 13.708 7.744 -8.537 1.00 0.00 O ATOM 711 OE2 GLU A 46 15.647 7.461 -7.496 1.00 0.00 O ATOM 0 H GLU A 46 11.508 3.441 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 46 13.573 3.335 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.544 5.388 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.352 4.918 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.559 5.080 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.771 5.497 -9.668 1.00 0.00 H new ATOM 718 N ILE A 47 14.200 1.975 -6.735 1.00 0.00 N ATOM 719 CA ILE A 47 15.161 1.133 -6.033 1.00 0.00 C ATOM 720 C ILE A 47 14.995 -0.295 -6.534 1.00 0.00 C ATOM 721 O ILE A 47 15.959 -1.054 -6.594 1.00 0.00 O ATOM 722 CB ILE A 47 14.889 1.192 -4.518 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.408 2.478 -3.872 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.567 0.028 -3.797 1.00 0.00 C ATOM 725 CD1 ILE A 47 14.782 3.739 -4.466 1.00 0.00 C ATOM 0 H ILE A 47 13.293 2.042 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 47 16.178 1.480 -6.219 1.00 0.00 H new ATOM 0 HB ILE A 47 13.805 1.146 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.205 2.448 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.491 2.526 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.360 0.092 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.182 -0.915 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.643 0.075 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.190 4.618 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.007 3.790 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.702 3.710 -4.324 1.00 0.00 H new ATOM 737 N TYR A 48 13.759 -0.652 -6.895 1.00 0.00 N ATOM 738 CA TYR A 48 13.407 -1.995 -7.309 1.00 0.00 C ATOM 739 C TYR A 48 14.224 -2.458 -8.513 1.00 0.00 C ATOM 740 O TYR A 48 14.495 -3.648 -8.668 1.00 0.00 O ATOM 741 CB TYR A 48 11.928 -2.028 -7.646 1.00 0.00 C ATOM 742 CG TYR A 48 11.493 -3.387 -8.135 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.182 -4.399 -7.218 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.408 -3.627 -9.513 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.795 -5.665 -7.678 1.00 0.00 C ATOM 746 CE2 TYR A 48 11.030 -4.889 -9.980 1.00 0.00 C ATOM 747 CZ TYR A 48 10.712 -5.914 -9.063 1.00 0.00 C ATOM 748 OH TYR A 48 10.329 -7.139 -9.519 1.00 0.00 O ATOM 0 H TYR A 48 12.973 -0.002 -6.905 1.00 0.00 H new ATOM 0 HA TYR A 48 13.630 -2.677 -6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.348 -1.757 -6.764 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.713 -1.281 -8.410 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.240 -4.204 -6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.634 -2.837 -10.214 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.561 -6.449 -6.973 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.981 -5.080 -11.042 1.00 0.00 H new ATOM 0 HH TYR A 48 10.325 -7.137 -10.499 1.00 0.00 H new ATOM 1605 N MET C 1 8.678 -2.154 10.378 1.00 0.00 N ATOM 1606 CA MET C 1 7.994 -1.277 9.410 1.00 0.00 C ATOM 1607 C MET C 1 8.992 -0.693 8.421 1.00 0.00 C ATOM 1608 O MET C 1 10.011 -0.145 8.832 1.00 0.00 O ATOM 1609 CB MET C 1 7.255 -0.150 10.136 1.00 0.00 C ATOM 1610 CG MET C 1 6.318 0.624 9.207 1.00 0.00 C ATOM 1611 SD MET C 1 4.748 -0.213 8.877 1.00 0.00 S ATOM 1612 CE MET C 1 3.944 0.165 10.455 1.00 0.00 C ATOM 0 H1 MET C 1 7.982 -2.544 11.045 1.00 0.00 H new ATOM 0 H2 MET C 1 9.146 -2.933 9.871 1.00 0.00 H new ATOM 0 H3 MET C 1 9.390 -1.605 10.901 1.00 0.00 H new ATOM 0 HA MET C 1 7.267 -1.876 8.861 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.680 -0.569 10.962 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.981 0.537 10.570 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.112 1.600 9.647 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.828 0.803 8.260 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.548 -0.752 10.891 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.671 0.607 11.137 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.128 0.869 10.288 1.00 0.00 H new ATOM 1624 N LEU C 2 8.698 -0.809 7.124 1.00 0.00 N ATOM 1625 CA LEU C 2 9.489 -0.206 6.064 1.00 0.00 C ATOM 1626 C LEU C 2 8.588 0.847 5.441 1.00 0.00 C ATOM 1627 O LEU C 2 7.475 0.531 5.032 1.00 0.00 O ATOM 1628 CB LEU C 2 9.922 -1.306 5.086 1.00 0.00 C ATOM 1629 CG LEU C 2 10.737 -0.827 3.878 1.00 0.00 C ATOM 1630 CD1 LEU C 2 9.849 -0.213 2.798 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.805 0.183 4.275 1.00 0.00 C ATOM 0 H LEU C 2 7.892 -1.333 6.782 1.00 0.00 H new ATOM 0 HA LEU C 2 10.410 0.266 6.407 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.511 -2.043 5.632 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.031 -1.817 4.722 1.00 0.00 H new ATOM 0 HG LEU C 2 11.223 -1.716 3.475 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.467 0.113 1.961 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.131 -0.956 2.451 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.315 0.643 3.210 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.358 0.495 3.389 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.332 1.052 4.732 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.491 -0.274 4.988 1.00 0.00 H new ATOM 1643 N ILE C 3 9.056 2.095 5.368 1.00 0.00 N ATOM 1644 CA ILE C 3 8.190 3.205 5.004 1.00 0.00 C ATOM 1645 C ILE C 3 8.725 3.912 3.780 1.00 0.00 C ATOM 1646 O ILE C 3 9.933 4.000 3.575 1.00 0.00 O ATOM 1647 CB ILE C 3 8.090 4.159 6.202 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.596 3.349 7.404 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.154 5.344 5.929 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.752 4.116 8.705 1.00 0.00 C ATOM 0 H ILE C 3 10.024 2.356 5.556 1.00 0.00 H new ATOM 0 HA ILE C 3 7.194 2.838 4.755 1.00 0.00 H new ATOM 0 HB ILE C 3 9.073 4.588 6.399 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.548 3.088 7.260 1.00 0.00 H new ATOM 0 HG13 ILE C 3 8.152 2.414 7.465 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.118 5.989 6.807 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.526 5.912 5.076 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.153 4.974 5.709 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.390 3.506 9.533 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.804 4.354 8.863 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.174 5.039 8.655 1.00 0.00 H new ATOM 1662 N LEU C 4 7.794 4.414 2.971 1.00 0.00 N ATOM 1663 CA LEU C 4 8.083 5.121 1.742 1.00 0.00 C ATOM 1664 C LEU C 4 7.109 6.286 1.629 1.00 0.00 C ATOM 1665 O LEU C 4 6.029 6.259 2.221 1.00 0.00 O ATOM 1666 CB LEU C 4 7.953 4.169 0.548 1.00 0.00 C ATOM 1667 CG LEU C 4 8.980 3.031 0.585 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.707 2.051 -0.550 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.406 3.556 0.409 1.00 0.00 C ATOM 0 H LEU C 4 6.796 4.334 3.164 1.00 0.00 H new ATOM 0 HA LEU C 4 9.104 5.502 1.746 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.948 3.746 0.533 1.00 0.00 H new ATOM 0 HB3 LEU C 4 8.075 4.733 -0.377 1.00 0.00 H new ATOM 0 HG LEU C 4 8.888 2.545 1.556 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.440 1.245 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.705 1.636 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.780 2.571 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU C 4 11.107 2.722 0.440 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.490 4.065 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.638 4.255 1.212 1.00 0.00 H new ATOM 1681 N THR C 5 7.495 7.307 0.866 1.00 0.00 N ATOM 1682 CA THR C 5 6.708 8.521 0.740 1.00 0.00 C ATOM 1683 C THR C 5 6.480 8.784 -0.738 1.00 0.00 C ATOM 1684 O THR C 5 7.427 8.773 -1.526 1.00 0.00 O ATOM 1685 CB THR C 5 7.459 9.668 1.420 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.782 9.281 2.737 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.602 10.929 1.486 1.00 0.00 C ATOM 0 H THR C 5 8.358 7.311 0.323 1.00 0.00 H new ATOM 0 HA THR C 5 5.737 8.426 1.226 1.00 0.00 H new ATOM 0 HB THR C 5 8.356 9.883 0.839 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.265 10.008 3.182 1.00 0.00 H new ATOM 0 HG21 THR C 5 7.164 11.725 1.974 1.00 0.00 H new ATOM 0 HG22 THR C 5 6.334 11.240 0.476 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.695 10.723 2.055 1.00 0.00 H new ATOM 1695 N ARG C 6 5.223 9.012 -1.120 1.00 0.00 N ATOM 1696 CA ARG C 6 4.849 9.106 -2.524 1.00 0.00 C ATOM 1697 C ARG C 6 3.828 10.195 -2.762 1.00 0.00 C ATOM 1698 O ARG C 6 3.418 10.886 -1.836 1.00 0.00 O ATOM 1699 CB ARG C 6 4.281 7.766 -2.989 1.00 0.00 C ATOM 1700 CG ARG C 6 5.122 6.605 -2.479 1.00 0.00 C ATOM 1701 CD ARG C 6 4.676 5.317 -3.155 1.00 0.00 C ATOM 1702 NE ARG C 6 3.225 5.106 -3.105 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.604 4.273 -2.263 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.265 3.657 -1.289 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.303 4.046 -2.397 1.00 0.00 N ATOM 0 H ARG C 6 4.446 9.135 -0.470 1.00 0.00 H new ATOM 0 HA ARG C 6 5.744 9.357 -3.093 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.256 7.660 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.245 7.742 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.177 6.789 -2.684 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.018 6.515 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG C 6 4.998 5.331 -4.196 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.175 4.473 -2.678 1.00 0.00 H new ATOM 0 HE ARG C 6 2.648 5.633 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.266 3.815 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.772 3.026 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.779 4.507 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.827 3.411 -1.756 1.00 0.00 H new ATOM 1719 N LYS C 7 3.424 10.333 -4.020 1.00 0.00 N ATOM 1720 CA LYS C 7 2.406 11.280 -4.433 1.00 0.00 C ATOM 1721 C LYS C 7 1.369 10.559 -5.272 1.00 0.00 C ATOM 1722 O LYS C 7 1.660 9.523 -5.868 1.00 0.00 O ATOM 1723 CB LYS C 7 3.056 12.424 -5.204 1.00 0.00 C ATOM 1724 CG LYS C 7 3.401 13.564 -4.252 1.00 0.00 C ATOM 1725 CD LYS C 7 3.983 14.742 -5.027 1.00 0.00 C ATOM 1726 CE LYS C 7 3.881 15.986 -4.153 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.574 17.132 -4.772 1.00 0.00 N ATOM 0 H LYS C 7 3.803 9.780 -4.789 1.00 0.00 H new ATOM 0 HA LYS C 7 1.907 11.705 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.958 12.071 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.380 12.780 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS C 7 2.508 13.880 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.118 13.220 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.023 14.547 -5.290 1.00 0.00 H new ATOM 0 HD3 LYS C 7 3.440 14.888 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS C 7 2.832 16.236 -3.992 1.00 0.00 H new ATOM 0 HE3 LYS C 7 4.314 15.782 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.488 17.965 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.579 16.900 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.144 17.340 -5.696 1.00 0.00 H new ATOM 1741 N VAL C 8 0.155 11.112 -5.318 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.936 10.449 -6.008 1.00 0.00 C ATOM 1743 C VAL C 8 -0.574 10.157 -7.462 1.00 0.00 C ATOM 1744 O VAL C 8 -0.333 11.065 -8.259 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.241 11.233 -5.859 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.620 11.274 -4.378 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.182 12.676 -6.356 1.00 0.00 C ATOM 0 H VAL C 8 -0.088 12.005 -4.890 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.105 9.481 -5.536 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.972 10.712 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.549 11.830 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.754 10.257 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.827 11.764 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.152 13.151 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.422 13.222 -5.797 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.930 12.686 -7.416 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.534 8.868 -7.793 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.205 8.385 -9.127 1.00 0.00 C ATOM 1759 C GLY C 9 1.008 7.451 -9.151 1.00 0.00 C ATOM 1760 O GLY C 9 1.187 6.718 -10.121 1.00 0.00 O ATOM 0 H GLY C 9 -0.733 8.120 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.067 7.860 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.011 9.238 -9.777 1.00 0.00 H new ATOM 1764 N GLU C 10 1.843 7.466 -8.107 1.00 0.00 N ATOM 1765 CA GLU C 10 3.038 6.625 -8.061 1.00 0.00 C ATOM 1766 C GLU C 10 2.713 5.173 -7.708 1.00 0.00 C ATOM 1767 O GLU C 10 1.579 4.842 -7.363 1.00 0.00 O ATOM 1768 CB GLU C 10 4.024 7.176 -7.026 1.00 0.00 C ATOM 1769 CG GLU C 10 4.601 8.511 -7.479 1.00 0.00 C ATOM 1770 CD GLU C 10 5.808 8.896 -6.634 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.923 8.442 -6.982 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.610 9.637 -5.648 1.00 0.00 O ATOM 0 H GLU C 10 1.711 8.053 -7.283 1.00 0.00 H new ATOM 0 HA GLU C 10 3.478 6.642 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.519 7.300 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.832 6.461 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.891 8.449 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.838 9.286 -7.404 1.00 0.00 H new ATOM 1779 N SER C 11 3.730 4.307 -7.799 1.00 0.00 N ATOM 1780 CA SER C 11 3.608 2.884 -7.518 1.00 0.00 C ATOM 1781 C SER C 11 4.818 2.384 -6.734 1.00 0.00 C ATOM 1782 O SER C 11 5.841 3.061 -6.666 1.00 0.00 O ATOM 1783 CB SER C 11 3.483 2.099 -8.827 1.00 0.00 C ATOM 1784 OG SER C 11 2.317 2.480 -9.521 1.00 0.00 O ATOM 0 H SER C 11 4.672 4.586 -8.074 1.00 0.00 H new ATOM 0 HA SER C 11 2.712 2.729 -6.916 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.359 2.278 -9.450 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.455 1.030 -8.616 1.00 0.00 H new ATOM 0 HG SER C 11 1.552 1.971 -9.180 1.00 0.00 H new ATOM 1790 N ILE C 12 4.689 1.190 -6.146 1.00 0.00 N ATOM 1791 CA ILE C 12 5.675 0.552 -5.273 1.00 0.00 C ATOM 1792 C ILE C 12 5.686 -0.949 -5.551 1.00 0.00 C ATOM 1793 O ILE C 12 4.730 -1.476 -6.120 1.00 0.00 O ATOM 1794 CB ILE C 12 5.301 0.842 -3.812 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.419 2.341 -3.516 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.145 0.058 -2.796 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.828 2.903 -3.710 1.00 0.00 C ATOM 0 H ILE C 12 3.855 0.617 -6.273 1.00 0.00 H new ATOM 0 HA ILE C 12 6.674 0.945 -5.462 1.00 0.00 H new ATOM 0 HB ILE C 12 4.269 0.511 -3.697 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.730 2.884 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.104 2.524 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.826 0.312 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.012 -1.011 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.197 0.316 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.829 3.969 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.520 2.388 -3.044 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.140 2.753 -4.744 1.00 0.00 H new ATOM 1809 N ASN C 13 6.755 -1.645 -5.154 1.00 0.00 N ATOM 1810 CA ASN C 13 6.910 -3.067 -5.433 1.00 0.00 C ATOM 1811 C ASN C 13 7.062 -3.884 -4.150 1.00 0.00 C ATOM 1812 O ASN C 13 7.606 -3.403 -3.156 1.00 0.00 O ATOM 1813 CB ASN C 13 8.142 -3.256 -6.324 1.00 0.00 C ATOM 1814 CG ASN C 13 7.926 -2.678 -7.715 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.578 -1.712 -8.098 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.012 -3.261 -8.487 1.00 0.00 N ATOM 0 H ASN C 13 7.531 -1.237 -4.633 1.00 0.00 H new ATOM 0 HA ASN C 13 6.013 -3.425 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN C 13 9.003 -2.775 -5.860 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.374 -4.318 -6.403 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.837 -2.906 -9.427 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.487 -4.063 -8.139 1.00 0.00 H new ATOM 1823 N ILE C 14 6.574 -5.130 -4.199 1.00 0.00 N ATOM 1824 CA ILE C 14 6.649 -6.087 -3.106 1.00 0.00 C ATOM 1825 C ILE C 14 6.949 -7.462 -3.691 1.00 0.00 C ATOM 1826 O ILE C 14 6.324 -7.878 -4.669 1.00 0.00 O ATOM 1827 CB ILE C 14 5.318 -6.131 -2.333 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.982 -4.745 -1.758 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.389 -7.194 -1.231 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.677 -4.753 -0.964 1.00 0.00 C ATOM 0 H ILE C 14 6.105 -5.503 -5.025 1.00 0.00 H new ATOM 0 HA ILE C 14 7.436 -5.788 -2.413 1.00 0.00 H new ATOM 0 HB ILE C 14 4.516 -6.405 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.796 -4.413 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.906 -4.024 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.444 -7.219 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.577 -8.170 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.197 -6.950 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.480 -3.753 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.857 -5.058 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.761 -5.454 -0.133 1.00 0.00 H new ATOM 1842 N GLY C 15 7.906 -8.171 -3.087 1.00 0.00 N ATOM 1843 CA GLY C 15 8.309 -9.483 -3.563 1.00 0.00 C ATOM 1844 C GLY C 15 8.677 -9.425 -5.043 1.00 0.00 C ATOM 1845 O GLY C 15 9.276 -8.453 -5.504 1.00 0.00 O ATOM 0 H GLY C 15 8.415 -7.850 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.161 -9.841 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.499 -10.196 -3.411 1.00 0.00 H new ATOM 1849 N ASP C 16 8.316 -10.476 -5.779 1.00 0.00 N ATOM 1850 CA ASP C 16 8.576 -10.575 -7.211 1.00 0.00 C ATOM 1851 C ASP C 16 7.273 -10.838 -7.965 1.00 0.00 C ATOM 1852 O ASP C 16 7.298 -11.231 -9.131 1.00 0.00 O ATOM 1853 CB ASP C 16 9.613 -11.669 -7.469 1.00 0.00 C ATOM 1854 CG ASP C 16 10.905 -11.405 -6.698 1.00 0.00 C ATOM 1855 OD1 ASP C 16 11.641 -10.478 -7.104 1.00 0.00 O ATOM 1856 OD2 ASP C 16 11.146 -12.135 -5.709 1.00 0.00 O ATOM 0 H ASP C 16 7.832 -11.287 -5.394 1.00 0.00 H new ATOM 0 HA ASP C 16 8.982 -9.632 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.204 -12.636 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP C 16 9.829 -11.724 -8.536 1.00 0.00 H new ATOM 1861 N ASP C 17 6.132 -10.627 -7.303 1.00 0.00 N ATOM 1862 CA ASP C 17 4.826 -10.935 -7.863 1.00 0.00 C ATOM 1863 C ASP C 17 3.774 -9.877 -7.518 1.00 0.00 C ATOM 1864 O ASP C 17 2.620 -10.035 -7.905 1.00 0.00 O ATOM 1865 CB ASP C 17 4.356 -12.300 -7.351 1.00 0.00 C ATOM 1866 CG ASP C 17 5.333 -13.415 -7.718 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.250 -13.898 -8.871 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.156 -13.781 -6.847 1.00 0.00 O ATOM 0 H ASP C 17 6.095 -10.236 -6.361 1.00 0.00 H new ATOM 0 HA ASP C 17 4.936 -10.948 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.240 -12.261 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.375 -12.526 -7.768 1.00 0.00 H new ATOM 1873 N ILE C 18 4.136 -8.802 -6.805 1.00 0.00 N ATOM 1874 CA ILE C 18 3.151 -7.810 -6.399 1.00 0.00 C ATOM 1875 C ILE C 18 3.638 -6.389 -6.659 1.00 0.00 C ATOM 1876 O ILE C 18 4.832 -6.099 -6.592 1.00 0.00 O ATOM 1877 CB ILE C 18 2.790 -7.985 -4.911 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.313 -9.407 -4.590 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.691 -7.000 -4.513 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.470 -10.245 -4.047 1.00 0.00 C ATOM 0 H ILE C 18 5.091 -8.605 -6.505 1.00 0.00 H new ATOM 0 HA ILE C 18 2.258 -7.971 -7.004 1.00 0.00 H new ATOM 0 HB ILE C 18 3.700 -7.792 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.506 -9.371 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.907 -9.873 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.446 -7.135 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.039 -5.980 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.803 -7.182 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.117 -11.252 -3.824 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.264 -10.296 -4.793 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.856 -9.786 -3.137 1.00 0.00 H new ATOM 1892 N THR C 19 2.686 -5.503 -6.955 1.00 0.00 N ATOM 1893 CA THR C 19 2.914 -4.079 -7.134 1.00 0.00 C ATOM 1894 C THR C 19 1.764 -3.338 -6.455 1.00 0.00 C ATOM 1895 O THR C 19 0.659 -3.868 -6.344 1.00 0.00 O ATOM 1896 CB THR C 19 3.011 -3.765 -8.628 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.098 -4.467 -9.190 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.215 -2.276 -8.905 1.00 0.00 C ATOM 0 H THR C 19 1.709 -5.770 -7.079 1.00 0.00 H new ATOM 0 HA THR C 19 3.852 -3.758 -6.681 1.00 0.00 H new ATOM 0 HB THR C 19 2.065 -4.071 -9.075 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.158 -4.266 -10.147 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.277 -2.111 -9.981 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.375 -1.712 -8.499 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.139 -1.941 -8.433 1.00 0.00 H new ATOM 1906 N ILE C 20 2.026 -2.111 -6.007 1.00 0.00 N ATOM 1907 CA ILE C 20 1.074 -1.296 -5.257 1.00 0.00 C ATOM 1908 C ILE C 20 1.019 0.087 -5.896 1.00 0.00 C ATOM 1909 O ILE C 20 2.015 0.531 -6.469 1.00 0.00 O ATOM 1910 CB ILE C 20 1.528 -1.200 -3.793 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.707 -2.582 -3.151 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.547 -0.361 -2.969 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.387 -3.332 -2.984 1.00 0.00 C ATOM 0 H ILE C 20 2.922 -1.648 -6.158 1.00 0.00 H new ATOM 0 HA ILE C 20 0.081 -1.745 -5.279 1.00 0.00 H new ATOM 0 HB ILE C 20 2.500 -0.707 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.383 -3.178 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.180 -2.466 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.891 -0.309 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.491 0.645 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.440 -0.822 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.576 -4.303 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.282 -2.753 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.076 -3.476 -3.960 1.00 0.00 H new ATOM 1925 N THR C 21 -0.125 0.769 -5.804 1.00 0.00 N ATOM 1926 CA THR C 21 -0.291 2.080 -6.423 1.00 0.00 C ATOM 1927 C THR C 21 -1.177 2.971 -5.560 1.00 0.00 C ATOM 1928 O THR C 21 -2.088 2.491 -4.893 1.00 0.00 O ATOM 1929 CB THR C 21 -0.920 1.896 -7.810 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.157 0.977 -8.562 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.973 3.204 -8.596 1.00 0.00 C ATOM 0 H THR C 21 -0.949 0.432 -5.306 1.00 0.00 H new ATOM 0 HA THR C 21 0.682 2.561 -6.519 1.00 0.00 H new ATOM 0 HB THR C 21 -1.936 1.535 -7.651 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.563 0.861 -9.446 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.426 3.024 -9.571 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.569 3.934 -8.048 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.038 3.589 -8.731 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.901 4.280 -5.575 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.712 5.286 -4.897 1.00 0.00 C ATOM 1941 C ILE C 22 -2.546 5.986 -5.967 1.00 0.00 C ATOM 1942 O ILE C 22 -2.086 6.932 -6.601 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.814 6.245 -4.090 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.545 7.506 -3.629 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.418 6.690 -4.885 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.686 7.174 -2.682 1.00 0.00 C ATOM 0 H ILE C 22 -0.097 4.671 -6.066 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.386 4.840 -4.166 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.512 5.664 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.842 8.174 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.934 8.040 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE C 22 1.020 7.364 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.012 5.817 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.100 7.206 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.183 8.094 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.402 6.526 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.293 6.663 -1.803 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.779 5.521 -6.180 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.604 6.062 -7.254 1.00 0.00 C ATOM 1960 C LEU C 23 -5.011 7.502 -6.938 1.00 0.00 C ATOM 1961 O LEU C 23 -5.239 8.288 -7.856 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.835 5.184 -7.528 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.637 3.696 -7.236 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.940 2.956 -7.519 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.542 3.085 -8.106 1.00 0.00 C ATOM 0 H LEU C 23 -4.220 4.783 -5.631 1.00 0.00 H new ATOM 0 HA LEU C 23 -4.006 6.063 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.667 5.551 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.122 5.300 -8.573 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.343 3.599 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.807 1.894 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.730 3.353 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.215 3.091 -8.565 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.434 2.027 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.810 3.193 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.599 3.598 -7.917 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.103 7.853 -5.649 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.325 9.235 -5.244 1.00 0.00 C ATOM 1979 C GLY C 24 -5.877 9.327 -3.827 1.00 0.00 C ATOM 1980 O GLY C 24 -5.834 8.352 -3.080 1.00 0.00 O ATOM 0 H GLY C 24 -5.026 7.195 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.387 9.787 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.020 9.710 -5.937 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.401 10.499 -3.452 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.033 10.690 -2.148 1.00 0.00 C ATOM 1986 C VAL C 25 -8.415 11.324 -2.322 1.00 0.00 C ATOM 1987 O VAL C 25 -8.772 11.763 -3.414 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.139 11.517 -1.206 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.703 10.987 -1.191 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.106 12.993 -1.581 1.00 0.00 C ATOM 0 H VAL C 25 -6.398 11.333 -4.040 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.164 9.714 -1.680 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.582 11.417 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.098 11.593 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.701 9.952 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.286 11.038 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.462 13.531 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.718 13.103 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.115 13.403 -1.532 1.00 0.00 H new ATOM 2000 N SER C 26 -9.196 11.367 -1.240 1.00 0.00 N ATOM 2001 CA SER C 26 -10.550 11.917 -1.243 1.00 0.00 C ATOM 2002 C SER C 26 -10.765 12.675 0.067 1.00 0.00 C ATOM 2003 O SER C 26 -11.808 12.571 0.706 1.00 0.00 O ATOM 2004 CB SER C 26 -11.572 10.789 -1.397 1.00 0.00 C ATOM 2005 OG SER C 26 -12.794 11.295 -1.892 1.00 0.00 O ATOM 0 H SER C 26 -8.901 11.017 -0.328 1.00 0.00 H new ATOM 0 HA SER C 26 -10.680 12.601 -2.082 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.185 10.029 -2.075 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.735 10.304 -0.435 1.00 0.00 H new ATOM 0 HG SER C 26 -13.437 10.562 -1.987 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.750 13.444 0.458 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.685 14.078 1.758 1.00 0.00 C ATOM 2013 C GLY C 27 -8.670 13.320 2.603 1.00 0.00 C ATOM 2014 O GLY C 27 -7.648 12.871 2.087 1.00 0.00 O ATOM 0 H GLY C 27 -8.943 13.642 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.392 15.123 1.658 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.664 14.066 2.237 1.00 0.00 H new ATOM 2018 N GLN C 28 -8.934 13.169 3.902 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.059 12.398 4.773 1.00 0.00 C ATOM 2020 C GLN C 28 -8.226 10.889 4.559 1.00 0.00 C ATOM 2021 O GLN C 28 -7.631 10.093 5.289 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.271 12.819 6.231 1.00 0.00 C ATOM 2023 CG GLN C 28 -6.993 13.488 6.740 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.673 14.764 5.962 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.825 14.660 4.938 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -7.185 15.831 6.281 1.00 0.00 N flip ATOM 0 H GLN C 28 -9.746 13.571 4.369 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.024 12.617 4.512 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.113 13.507 6.307 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.512 11.950 6.844 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.103 13.725 7.798 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.159 12.791 6.655 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.829 15.872 7.071 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -6.967 16.678 5.757 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.030 10.495 3.564 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.100 9.114 3.121 1.00 0.00 C ATOM 2037 C GLN C 29 -8.299 8.959 1.829 1.00 0.00 C ATOM 2038 O GLN C 29 -8.064 9.931 1.112 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.554 8.662 2.980 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.275 9.258 1.775 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.721 8.771 1.737 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.408 8.770 2.755 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.193 8.348 0.569 1.00 0.00 N ATOM 0 H GLN C 29 -9.644 11.128 3.051 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.653 8.459 3.869 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.580 7.575 2.905 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.097 8.932 3.886 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.251 10.346 1.828 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.762 8.972 0.856 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.596 8.362 -0.258 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.153 8.009 0.499 1.00 0.00 H new ATOM 2052 N VAL C 30 -7.872 7.730 1.527 1.00 0.00 N ATOM 2053 CA VAL C 30 -6.913 7.468 0.469 1.00 0.00 C ATOM 2054 C VAL C 30 -7.372 6.279 -0.372 1.00 0.00 C ATOM 2055 O VAL C 30 -8.001 5.356 0.145 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.545 7.201 1.115 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.469 6.944 0.069 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.093 8.402 1.946 1.00 0.00 C ATOM 0 H VAL C 30 -8.187 6.891 2.015 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.834 8.327 -0.197 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.670 6.319 1.744 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.516 6.759 0.565 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.742 6.074 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.377 7.815 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.122 8.190 2.394 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.013 9.279 1.304 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.821 8.594 2.734 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.050 6.314 -1.668 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.448 5.310 -2.647 1.00 0.00 C ATOM 2070 C ARG C 31 -6.200 4.590 -3.125 1.00 0.00 C ATOM 2071 O ARG C 31 -5.311 5.214 -3.706 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.129 6.010 -3.832 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.393 6.776 -3.432 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.512 5.802 -3.066 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.048 5.113 -4.250 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.795 5.690 -5.195 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -12.122 6.976 -5.122 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.222 4.970 -6.228 1.00 0.00 N ATOM 0 H ARG C 31 -6.489 7.064 -2.072 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.142 4.596 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -7.423 6.701 -4.292 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.386 5.267 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -9.178 7.428 -2.585 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.714 7.416 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.135 5.065 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.315 6.343 -2.566 1.00 0.00 H new ATOM 0 HE ARG C 31 -10.833 4.122 -4.357 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -11.802 7.540 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -12.693 7.399 -5.853 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -11.979 3.982 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -12.793 5.406 -6.952 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.136 3.278 -2.882 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.935 2.490 -3.123 1.00 0.00 C ATOM 2094 C ILE C 32 -5.294 1.260 -3.948 1.00 0.00 C ATOM 2095 O ILE C 32 -6.369 0.684 -3.782 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.322 2.087 -1.773 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.051 3.340 -0.927 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.029 1.290 -1.983 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.498 2.994 0.461 1.00 0.00 C ATOM 0 H ILE C 32 -6.918 2.737 -2.513 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.203 3.075 -3.680 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.030 1.450 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.342 3.982 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.974 3.909 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.610 1.014 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.246 0.388 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.310 1.901 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.322 3.912 1.022 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.218 2.374 0.995 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.560 2.449 0.354 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.387 0.856 -4.838 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.595 -0.281 -5.711 1.00 0.00 C ATOM 2113 C GLY C 33 -3.469 -1.287 -5.543 1.00 0.00 C ATOM 2114 O GLY C 33 -2.390 -0.953 -5.056 1.00 0.00 O ATOM 0 H GLY C 33 -3.486 1.316 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.551 -0.753 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.643 0.052 -6.748 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.734 -2.527 -5.949 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.813 -3.638 -5.806 1.00 0.00 C ATOM 2120 C ILE C 34 -2.834 -4.425 -7.107 1.00 0.00 C ATOM 2121 O ILE C 34 -3.861 -4.501 -7.779 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.237 -4.517 -4.621 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.337 -3.673 -3.343 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.235 -5.656 -4.432 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -3.968 -4.460 -2.197 1.00 0.00 C ATOM 0 H ILE C 34 -4.614 -2.786 -6.395 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.802 -3.284 -5.607 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.218 -4.944 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.343 -3.337 -3.050 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -3.930 -2.780 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.543 -6.275 -3.589 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.201 -6.264 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.246 -5.242 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.022 -3.830 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -4.972 -4.774 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.361 -5.339 -1.981 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.695 -5.010 -7.454 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.544 -5.740 -8.698 1.00 0.00 C ATOM 2139 C ASN C 35 -0.776 -7.025 -8.409 1.00 0.00 C ATOM 2140 O ASN C 35 0.452 -7.027 -8.379 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.828 -4.851 -9.713 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.764 -5.491 -11.092 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.374 -6.530 -11.340 1.00 0.00 O ATOM 2144 ND2 ASN C 35 -0.028 -4.869 -12.004 1.00 0.00 N ATOM 0 H ASN C 35 -0.853 -4.990 -6.879 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.510 -6.010 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.344 -3.893 -9.782 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.183 -4.644 -9.363 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.046 -5.251 -12.947 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.464 -4.009 -11.762 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.522 -8.110 -8.195 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.953 -9.397 -7.828 1.00 0.00 C ATOM 2153 C ALA C 36 -1.711 -10.542 -8.493 1.00 0.00 C ATOM 2154 O ALA C 36 -2.868 -10.381 -8.887 1.00 0.00 O ATOM 2155 CB ALA C 36 -1.037 -9.545 -6.311 1.00 0.00 C ATOM 0 H ALA C 36 -2.539 -8.116 -8.273 1.00 0.00 H new ATOM 0 HA ALA C 36 0.083 -9.438 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.615 -10.505 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.477 -8.740 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.080 -9.495 -5.998 1.00 0.00 H new ATOM 2161 N PRO C 37 -1.061 -11.703 -8.622 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.680 -12.934 -9.088 1.00 0.00 C ATOM 2163 C PRO C 37 -2.664 -13.504 -8.071 1.00 0.00 C ATOM 2164 O PRO C 37 -2.608 -13.183 -6.887 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.519 -13.912 -9.264 1.00 0.00 C ATOM 2166 CG PRO C 37 0.559 -13.404 -8.310 1.00 0.00 C ATOM 2167 CD PRO C 37 0.347 -11.897 -8.325 1.00 0.00 C ATOM 0 HA PRO C 37 -2.247 -12.759 -10.002 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.818 -14.931 -9.018 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.163 -13.924 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.440 -13.818 -7.309 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.559 -13.674 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.609 -11.455 -7.364 1.00 0.00 H new ATOM 0 HD3 PRO C 37 0.975 -11.420 -9.077 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.568 -14.367 -8.546 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.478 -15.100 -7.676 1.00 0.00 C ATOM 2177 C LYS C 38 -3.712 -16.134 -6.851 1.00 0.00 C ATOM 2178 O LYS C 38 -4.291 -16.813 -6.006 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.572 -15.760 -8.517 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.408 -14.724 -9.281 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.047 -13.725 -8.321 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.014 -12.825 -9.075 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.164 -13.580 -9.610 1.00 0.00 N ATOM 0 H LYS C 38 -3.685 -14.572 -9.538 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.949 -14.406 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.118 -16.453 -9.225 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.224 -16.347 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.776 -14.195 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.184 -15.229 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.574 -14.256 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.275 -13.123 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.373 -12.040 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.489 -12.334 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.952 -12.927 -9.794 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.889 -14.049 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.462 -14.296 -8.917 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.406 -16.250 -7.103 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.493 -17.062 -6.315 1.00 0.00 C ATOM 2199 C ASP C 39 -1.325 -16.475 -4.910 1.00 0.00 C ATOM 2200 O ASP C 39 -0.740 -17.117 -4.040 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.135 -17.105 -7.019 1.00 0.00 C ATOM 2202 CG ASP C 39 -0.198 -17.953 -8.287 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.753 -19.070 -8.209 1.00 0.00 O ATOM 2204 OD2 ASP C 39 0.312 -17.477 -9.324 1.00 0.00 O ATOM 0 H ASP C 39 -1.950 -15.769 -7.878 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.900 -18.069 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP C 39 0.179 -16.092 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.616 -17.513 -6.342 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.840 -15.261 -4.693 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.764 -14.581 -3.408 1.00 0.00 C ATOM 2211 C VAL C 40 -3.084 -13.874 -3.117 1.00 0.00 C ATOM 2212 O VAL C 40 -3.876 -13.613 -4.026 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.594 -13.589 -3.382 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.713 -14.253 -3.821 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.847 -12.406 -4.308 1.00 0.00 C ATOM 0 H VAL C 40 -2.323 -14.724 -5.413 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.585 -15.323 -2.629 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.510 -13.245 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.521 -13.522 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.946 -15.079 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.605 -14.632 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL C 40 0.001 -11.723 -4.265 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -0.974 -12.764 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.750 -11.883 -3.992 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.315 -13.560 -1.841 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.561 -12.948 -1.415 1.00 0.00 C ATOM 2227 C ALA C 41 -4.338 -11.482 -1.050 1.00 0.00 C ATOM 2228 O ALA C 41 -3.287 -11.138 -0.511 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.072 -13.725 -0.202 1.00 0.00 C ATOM 0 H ALA C 41 -2.648 -13.723 -1.087 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.293 -12.981 -2.222 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.009 -13.288 0.142 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.238 -14.766 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.334 -13.676 0.599 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.320 -10.626 -1.341 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.231 -9.211 -0.994 1.00 0.00 C ATOM 2237 C VAL C 42 -6.605 -8.699 -0.579 1.00 0.00 C ATOM 2238 O VAL C 42 -7.571 -8.825 -1.328 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.651 -8.395 -2.157 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.224 -8.844 -2.463 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.457 -8.537 -3.449 1.00 0.00 C ATOM 0 H VAL C 42 -6.184 -10.890 -1.815 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.550 -9.093 -0.151 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.684 -7.355 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.827 -8.256 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.600 -8.698 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.225 -9.899 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -4.996 -7.936 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.473 -9.583 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.478 -8.193 -3.281 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.692 -8.115 0.619 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.958 -7.598 1.135 1.00 0.00 C ATOM 2253 C HIS C 43 -7.692 -6.516 2.177 1.00 0.00 C ATOM 2254 O HIS C 43 -6.565 -6.365 2.647 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.782 -8.713 1.797 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.740 -10.055 1.109 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.756 -10.567 0.296 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.721 -10.961 1.181 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.318 -11.772 -0.102 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.102 -12.032 0.409 1.00 0.00 N ATOM 0 H HIS C 43 -5.899 -7.989 1.249 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.516 -7.188 0.293 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.431 -8.839 2.821 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.821 -8.387 1.854 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.641 -10.120 0.056 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.799 -10.857 1.734 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.868 -12.442 -0.746 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.731 -5.762 2.545 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.629 -4.828 3.657 1.00 0.00 C ATOM 2270 C ARG C 44 -8.841 -5.592 4.959 1.00 0.00 C ATOM 2271 O ARG C 44 -9.371 -6.702 4.947 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.614 -3.664 3.496 1.00 0.00 C ATOM 2273 CG ARG C 44 -11.079 -4.101 3.534 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.965 -2.873 3.316 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.391 -3.183 3.479 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.143 -3.803 2.564 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.619 -4.210 1.412 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.434 -4.016 2.801 1.00 0.00 N ATOM 0 H ARG C 44 -9.644 -5.783 2.090 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.635 -4.380 3.674 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.439 -2.937 4.289 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.417 -3.159 2.550 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.271 -4.847 2.762 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.309 -4.567 4.492 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.681 -2.092 4.022 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.793 -2.476 2.316 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.840 -2.906 4.352 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -12.631 -4.051 1.217 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.205 -4.682 0.723 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.849 -3.706 3.680 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -16.009 -4.489 2.104 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.425 -5.001 6.082 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.507 -5.642 7.390 1.00 0.00 C ATOM 2294 C GLU C 45 -9.888 -6.228 7.676 1.00 0.00 C ATOM 2295 O GLU C 45 -9.984 -7.255 8.342 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.140 -4.621 8.466 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.620 -4.535 8.620 1.00 0.00 C ATOM 2298 CD GLU C 45 -6.036 -5.743 9.358 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.834 -6.511 9.948 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.793 -5.888 9.325 1.00 0.00 O ATOM 0 H GLU C 45 -8.022 -4.064 6.106 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.806 -6.477 7.396 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.541 -3.643 8.201 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.593 -4.905 9.416 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.162 -4.460 7.634 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.364 -3.624 9.161 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.964 -5.607 7.189 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.299 -6.107 7.484 1.00 0.00 C ATOM 2309 C GLU C 46 -12.526 -7.492 6.876 1.00 0.00 C ATOM 2310 O GLU C 46 -13.128 -8.340 7.528 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.340 -5.106 6.973 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.773 -5.585 7.227 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.050 -5.853 8.707 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.618 -5.024 9.541 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -15.694 -6.890 8.996 1.00 0.00 O ATOM 0 H GLU C 46 -10.936 -4.774 6.601 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.402 -6.213 8.564 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.188 -4.144 7.462 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.195 -4.947 5.904 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.473 -4.835 6.860 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.954 -6.496 6.657 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.055 -7.740 5.647 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.241 -9.033 4.999 1.00 0.00 C ATOM 2324 C ILE C 47 -11.164 -9.993 5.489 1.00 0.00 C ATOM 2325 O ILE C 47 -11.424 -11.180 5.685 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.130 -8.888 3.472 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.401 -8.341 2.819 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.875 -10.246 2.816 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.792 -6.956 3.324 1.00 0.00 C ATOM 0 H ILE C 47 -11.543 -7.059 5.086 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.231 -9.416 5.247 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.307 -8.190 3.319 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.257 -8.299 1.739 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.223 -9.033 3.004 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.800 -10.120 1.736 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.944 -10.666 3.198 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.699 -10.922 3.046 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.701 -6.628 2.820 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.968 -6.997 4.399 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.987 -6.252 3.114 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.951 -9.474 5.688 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.798 -10.272 6.059 1.00 0.00 C ATOM 2343 C TYR C 48 -9.010 -11.024 7.368 1.00 0.00 C ATOM 2344 O TYR C 48 -8.455 -12.104 7.565 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.593 -9.340 6.180 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.333 -10.071 6.572 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.566 -10.726 5.598 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.939 -10.089 7.916 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.391 -11.400 5.969 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.783 -10.770 8.299 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.994 -11.419 7.322 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.850 -12.062 7.686 1.00 0.00 O ATOM 0 H TYR C 48 -9.747 -8.479 5.594 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.634 -11.025 5.288 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.434 -8.833 5.229 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.807 -8.569 6.920 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.878 -10.712 4.564 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.532 -9.574 8.658 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.794 -11.901 5.221 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.492 -10.801 9.339 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.722 -11.978 8.654 1.00 0.00 H new