USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 603 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HECFE :(H bumps) USER MOD NoAdj-H: A 80 HEC HAC : A 80 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC HAB : A 80 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC H2D : A 80 HEC O2D : A 80 HEC CGD :(short bond) USER MOD NoAdj-H: A 80 HEC H2A : A 80 HEC O2A : A 80 HEC CGA :(short bond) USER MOD Set 1.1: A 32 GLN : amide:sc= 1.93 K(o=2,f=-4.3) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -153:sc= 0.0913 (180deg=-1.1) USER MOD Single : A 1 ALA N :NH3+ 170:sc= 1.31 (180deg=1.21) USER MOD Single : A 7 TYR OH : rot 178:sc= 1.24 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 83:sc= 1.21 USER MOD Single : A 19 SER OG : rot -135:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= 0.817 (180deg=0.296) USER MOD Single : A 23 MET CE :methyl -178:sc= 0 (180deg=-0.00556) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= -0.0988 (180deg=-0.388) USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0.494 (180deg=0.191) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0427) USER MOD Single : A 41 MET CE :methyl 148:sc= -1.52 (180deg=-4.49!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0162 USER MOD Single : A 48 SER OG : rot -100:sc= 1.16 USER MOD Single : A 49 TYR OH : rot 157:sc= 1.07 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.595 (180deg=0.548) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 154:sc= -0.585 (180deg=-3.66) USER MOD Single : A 58 THR OG1 : rot 69:sc= 0.999 USER MOD Single : A 59 ASN : amide:sc= -0.905! X(o=-0.91!,f=-0.7) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0698 (180deg=-0.386) USER MOD Single : A 65 SER OG : rot -96:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0.736 (180deg=0.664) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -134:sc= -1.95 (180deg=-3.23!) USER MOD Single : A 77 SER OG : rot 88:sc= 0.802 USER MOD Single : A 78 LYS NZ :NH3+ 126:sc=-0.00832 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.967 -13.470 -8.715 1.00 0.00 N ATOM 2 CA ALA A 1 -1.531 -13.148 -8.670 1.00 0.00 C ATOM 3 C ALA A 1 -1.137 -13.068 -7.199 1.00 0.00 C ATOM 4 O ALA A 1 -1.829 -13.696 -6.399 1.00 0.00 O ATOM 5 CB ALA A 1 -1.231 -11.858 -9.445 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.315 -13.368 -9.690 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.113 -14.449 -8.396 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.488 -12.821 -8.092 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.935 -13.918 -9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.163 -11.644 -9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.528 -11.982 -10.486 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.788 -11.031 -9.004 1.00 0.00 H new ATOM 13 N ASP A 2 -0.092 -12.321 -6.839 1.00 0.00 N ATOM 14 CA ASP A 2 0.289 -12.109 -5.454 1.00 0.00 C ATOM 15 C ASP A 2 0.887 -10.710 -5.339 1.00 0.00 C ATOM 16 O ASP A 2 1.466 -10.209 -6.305 1.00 0.00 O ATOM 17 CB ASP A 2 1.283 -13.178 -4.975 1.00 0.00 C ATOM 18 CG ASP A 2 2.717 -12.856 -5.386 1.00 0.00 C ATOM 19 OD1 ASP A 2 3.379 -12.147 -4.596 1.00 0.00 O ATOM 20 OD2 ASP A 2 3.107 -13.293 -6.489 1.00 0.00 O ATOM 0 H ASP A 2 0.513 -11.846 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.589 -12.194 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.228 -13.263 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.998 -14.147 -5.385 1.00 0.00 H new ATOM 25 N GLY A 3 0.755 -10.116 -4.154 1.00 0.00 N ATOM 26 CA GLY A 3 1.260 -8.807 -3.774 1.00 0.00 C ATOM 27 C GLY A 3 2.596 -8.377 -4.393 1.00 0.00 C ATOM 28 O GLY A 3 2.763 -7.201 -4.713 1.00 0.00 O ATOM 0 H GLY A 3 0.259 -10.570 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.508 -8.063 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.365 -8.785 -2.689 1.00 0.00 H new ATOM 32 N ALA A 4 3.558 -9.289 -4.563 1.00 0.00 N ATOM 33 CA ALA A 4 4.838 -8.935 -5.167 1.00 0.00 C ATOM 34 C ALA A 4 4.646 -8.306 -6.549 1.00 0.00 C ATOM 35 O ALA A 4 5.322 -7.338 -6.892 1.00 0.00 O ATOM 36 CB ALA A 4 5.744 -10.165 -5.248 1.00 0.00 C ATOM 0 H ALA A 4 3.473 -10.269 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 4 5.319 -8.191 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.696 -9.887 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.919 -10.554 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.263 -10.931 -5.856 1.00 0.00 H new ATOM 42 N ALA A 5 3.712 -8.846 -7.339 1.00 0.00 N ATOM 43 CA ALA A 5 3.422 -8.318 -8.661 1.00 0.00 C ATOM 44 C ALA A 5 2.857 -6.903 -8.537 1.00 0.00 C ATOM 45 O ALA A 5 3.328 -5.979 -9.196 1.00 0.00 O ATOM 46 CB ALA A 5 2.445 -9.247 -9.389 1.00 0.00 C ATOM 0 H ALA A 5 3.145 -9.653 -7.077 1.00 0.00 H new ATOM 0 HA ALA A 5 4.340 -8.268 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.231 -8.846 -10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.889 -10.238 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.519 -9.319 -8.819 1.00 0.00 H new ATOM 52 N LEU A 6 1.852 -6.736 -7.675 1.00 0.00 N ATOM 53 CA LEU A 6 1.178 -5.494 -7.418 1.00 0.00 C ATOM 54 C LEU A 6 2.177 -4.407 -7.028 1.00 0.00 C ATOM 55 O LEU A 6 2.089 -3.284 -7.525 1.00 0.00 O ATOM 56 CB LEU A 6 0.205 -5.765 -6.276 1.00 0.00 C ATOM 57 CG LEU A 6 -1.116 -6.411 -6.705 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.977 -7.790 -7.357 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.995 -6.542 -5.461 1.00 0.00 C ATOM 0 H LEU A 6 1.481 -7.507 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 6 0.656 -5.138 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.692 -6.413 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.013 -4.824 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.549 -5.765 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.964 -8.166 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.363 -7.708 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.505 -8.478 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.946 -7.000 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.490 -7.166 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.176 -5.554 -5.038 1.00 0.00 H new ATOM 71 N TYR A 7 3.124 -4.750 -6.144 1.00 0.00 N ATOM 72 CA TYR A 7 4.078 -3.795 -5.604 1.00 0.00 C ATOM 73 C TYR A 7 4.816 -2.973 -6.667 1.00 0.00 C ATOM 74 O TYR A 7 5.116 -1.802 -6.435 1.00 0.00 O ATOM 75 CB TYR A 7 5.066 -4.450 -4.633 1.00 0.00 C ATOM 76 CG TYR A 7 5.804 -3.391 -3.834 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.099 -2.673 -2.848 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.041 -2.900 -4.297 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.593 -1.445 -2.378 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.555 -1.691 -3.795 1.00 0.00 C ATOM 81 CZ TYR A 7 6.806 -0.942 -2.872 1.00 0.00 C ATOM 82 OH TYR A 7 7.261 0.262 -2.429 1.00 0.00 O ATOM 0 H TYR A 7 3.243 -5.699 -5.789 1.00 0.00 H new ATOM 0 HA TYR A 7 3.469 -3.085 -5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.532 -5.118 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.780 -5.060 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.175 -3.068 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.596 -3.454 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.039 -0.888 -1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.523 -1.339 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 7 8.129 0.455 -2.841 1.00 0.00 H new ATOM 92 N LYS A 8 5.123 -3.567 -7.824 1.00 0.00 N ATOM 93 CA LYS A 8 5.848 -2.881 -8.889 1.00 0.00 C ATOM 94 C LYS A 8 5.255 -1.491 -9.161 1.00 0.00 C ATOM 95 O LYS A 8 5.966 -0.488 -9.152 1.00 0.00 O ATOM 96 CB LYS A 8 5.847 -3.740 -10.160 1.00 0.00 C ATOM 97 CG LYS A 8 6.568 -5.079 -9.941 1.00 0.00 C ATOM 98 CD LYS A 8 6.777 -5.843 -11.256 1.00 0.00 C ATOM 99 CE LYS A 8 5.450 -6.226 -11.922 1.00 0.00 C ATOM 100 NZ LYS A 8 5.668 -7.084 -13.099 1.00 0.00 N ATOM 0 H LYS A 8 4.876 -4.532 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 8 6.879 -2.735 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.820 -3.927 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.332 -3.194 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.534 -4.897 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.988 -5.694 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.362 -5.229 -11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.357 -6.745 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.817 -6.746 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.917 -5.323 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.751 -7.326 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.252 -6.577 -13.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.155 -7.956 -12.808 1.00 0.00 H new ATOM 114 N SER A 9 3.934 -1.434 -9.335 1.00 0.00 N ATOM 115 CA SER A 9 3.167 -0.231 -9.630 1.00 0.00 C ATOM 116 C SER A 9 3.323 0.896 -8.599 1.00 0.00 C ATOM 117 O SER A 9 2.944 2.031 -8.874 1.00 0.00 O ATOM 118 CB SER A 9 1.684 -0.624 -9.738 1.00 0.00 C ATOM 119 OG SER A 9 1.527 -2.023 -9.924 1.00 0.00 O ATOM 0 H SER A 9 3.346 -2.265 -9.270 1.00 0.00 H new ATOM 0 HA SER A 9 3.558 0.173 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.158 -0.315 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.226 -0.092 -10.571 1.00 0.00 H new ATOM 0 HG SER A 9 1.566 -2.475 -9.055 1.00 0.00 H new ATOM 125 N CYS A 10 3.811 0.578 -7.399 1.00 0.00 N ATOM 126 CA CYS A 10 3.925 1.492 -6.267 1.00 0.00 C ATOM 127 C CYS A 10 5.290 2.180 -6.239 1.00 0.00 C ATOM 128 O CYS A 10 5.462 3.250 -5.638 1.00 0.00 O ATOM 129 CB CYS A 10 3.703 0.693 -4.981 1.00 0.00 C ATOM 130 SG CYS A 10 2.542 -0.700 -5.086 1.00 0.00 S ATOM 0 H CYS A 10 4.150 -0.360 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 10 3.173 2.276 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.667 0.310 -4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.347 1.377 -4.211 1.00 0.00 H new ATOM 135 N ILE A 11 6.283 1.542 -6.868 1.00 0.00 N ATOM 136 CA ILE A 11 7.607 2.119 -7.015 1.00 0.00 C ATOM 137 C ILE A 11 7.403 3.459 -7.720 1.00 0.00 C ATOM 138 O ILE A 11 6.567 3.574 -8.613 1.00 0.00 O ATOM 139 CB ILE A 11 8.515 1.184 -7.823 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.622 -0.189 -7.128 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.912 1.799 -8.011 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.412 -1.220 -7.939 1.00 0.00 C ATOM 0 H ILE A 11 6.184 0.616 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 11 8.099 2.260 -6.053 1.00 0.00 H new ATOM 0 HB ILE A 11 8.071 1.046 -8.809 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.098 -0.060 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.619 -0.574 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.536 1.116 -8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.824 2.746 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.368 1.972 -7.036 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.448 -2.162 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.924 -1.377 -8.901 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.426 -0.855 -8.102 1.00 0.00 H new ATOM 154 N GLY A 12 8.137 4.481 -7.289 1.00 0.00 N ATOM 155 CA GLY A 12 7.951 5.829 -7.789 1.00 0.00 C ATOM 156 C GLY A 12 7.297 6.655 -6.690 1.00 0.00 C ATOM 157 O GLY A 12 7.757 7.766 -6.439 1.00 0.00 O ATOM 0 H GLY A 12 8.872 4.394 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.909 6.265 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.326 5.821 -8.682 1.00 0.00 H new ATOM 161 N CYS A 13 6.273 6.121 -6.002 1.00 0.00 N ATOM 162 CA CYS A 13 5.658 6.845 -4.897 1.00 0.00 C ATOM 163 C CYS A 13 6.285 6.375 -3.590 1.00 0.00 C ATOM 164 O CYS A 13 6.511 7.186 -2.699 1.00 0.00 O ATOM 165 CB CYS A 13 4.140 6.662 -4.897 1.00 0.00 C ATOM 166 SG CYS A 13 3.243 7.944 -5.828 1.00 0.00 S ATOM 0 H CYS A 13 5.865 5.206 -6.194 1.00 0.00 H new ATOM 0 HA CYS A 13 5.842 7.913 -5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.901 5.686 -5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.784 6.659 -3.867 1.00 0.00 H new ATOM 171 N HIS A 14 6.588 5.074 -3.493 1.00 0.00 N ATOM 172 CA HIS A 14 7.163 4.463 -2.296 1.00 0.00 C ATOM 173 C HIS A 14 8.618 4.025 -2.465 1.00 0.00 C ATOM 174 O HIS A 14 9.368 3.966 -1.491 1.00 0.00 O ATOM 175 CB HIS A 14 6.280 3.288 -1.915 1.00 0.00 C ATOM 176 CG HIS A 14 4.927 3.766 -1.493 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.745 4.462 -0.314 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.711 3.788 -2.124 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.431 4.685 -0.196 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.728 4.183 -1.214 1.00 0.00 N ATOM 0 H HIS A 14 6.438 4.412 -4.254 1.00 0.00 H new ATOM 0 HA HIS A 14 7.190 5.212 -1.505 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.184 2.608 -2.761 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.743 2.725 -1.104 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.472 4.750 0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.540 3.539 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.987 5.214 0.634 1.00 0.00 H new ATOM 188 N GLY A 15 9.037 3.762 -3.701 1.00 0.00 N ATOM 189 CA GLY A 15 10.394 3.329 -3.996 1.00 0.00 C ATOM 190 C GLY A 15 10.538 1.810 -3.890 1.00 0.00 C ATOM 191 O GLY A 15 9.724 1.131 -3.264 1.00 0.00 O ATOM 0 H GLY A 15 8.441 3.844 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.669 3.652 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.088 3.809 -3.306 1.00 0.00 H new ATOM 195 N ALA A 16 11.608 1.268 -4.479 1.00 0.00 N ATOM 196 CA ALA A 16 11.897 -0.165 -4.472 1.00 0.00 C ATOM 197 C ALA A 16 12.265 -0.699 -3.079 1.00 0.00 C ATOM 198 O ALA A 16 12.457 -1.900 -2.922 1.00 0.00 O ATOM 199 CB ALA A 16 13.013 -0.458 -5.480 1.00 0.00 C ATOM 0 H ALA A 16 12.305 1.820 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 16 10.985 -0.688 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.233 -1.526 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.692 -0.154 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.909 0.097 -5.202 1.00 0.00 H new ATOM 205 N ASP A 17 12.374 0.188 -2.084 1.00 0.00 N ATOM 206 CA ASP A 17 12.690 -0.105 -0.688 1.00 0.00 C ATOM 207 C ASP A 17 11.596 0.471 0.223 1.00 0.00 C ATOM 208 O ASP A 17 11.828 0.734 1.395 1.00 0.00 O ATOM 209 CB ASP A 17 14.057 0.534 -0.427 1.00 0.00 C ATOM 210 CG ASP A 17 14.605 0.330 0.984 1.00 0.00 C ATOM 211 OD1 ASP A 17 15.021 -0.809 1.283 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.658 1.347 1.713 1.00 0.00 O ATOM 0 H ASP A 17 12.235 1.186 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 17 12.729 -1.175 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.773 0.128 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.984 1.604 -0.621 1.00 0.00 H new ATOM 217 N GLY A 18 10.421 0.741 -0.357 1.00 0.00 N ATOM 218 CA GLY A 18 9.221 1.311 0.253 1.00 0.00 C ATOM 219 C GLY A 18 9.451 2.504 1.188 1.00 0.00 C ATOM 220 O GLY A 18 8.580 2.816 2.004 1.00 0.00 O ATOM 0 H GLY A 18 10.276 0.549 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.544 1.622 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.714 0.526 0.814 1.00 0.00 H new ATOM 224 N SER A 19 10.599 3.174 1.085 1.00 0.00 N ATOM 225 CA SER A 19 11.059 4.162 2.035 1.00 0.00 C ATOM 226 C SER A 19 10.776 5.611 1.656 1.00 0.00 C ATOM 227 O SER A 19 10.761 6.444 2.562 1.00 0.00 O ATOM 228 CB SER A 19 12.554 3.911 2.243 1.00 0.00 C ATOM 229 OG SER A 19 13.165 3.557 1.014 1.00 0.00 O ATOM 0 H SER A 19 11.248 3.033 0.311 1.00 0.00 H new ATOM 0 HA SER A 19 10.492 4.038 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.028 4.805 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.699 3.114 2.973 1.00 0.00 H new ATOM 0 HG SER A 19 13.757 2.788 1.152 1.00 0.00 H new ATOM 235 N LYS A 20 10.578 5.962 0.377 1.00 0.00 N ATOM 236 CA LYS A 20 10.319 7.374 0.106 1.00 0.00 C ATOM 237 C LYS A 20 8.925 7.747 0.625 1.00 0.00 C ATOM 238 O LYS A 20 7.952 7.023 0.414 1.00 0.00 O ATOM 239 CB LYS A 20 10.565 7.778 -1.356 1.00 0.00 C ATOM 240 CG LYS A 20 9.819 6.923 -2.372 1.00 0.00 C ATOM 241 CD LYS A 20 9.499 7.684 -3.661 1.00 0.00 C ATOM 242 CE LYS A 20 10.743 8.145 -4.424 1.00 0.00 C ATOM 243 NZ LYS A 20 10.356 8.881 -5.640 1.00 0.00 N ATOM 0 H LYS A 20 10.590 5.337 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 20 11.053 7.965 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.271 8.819 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.634 7.720 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.419 6.045 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.891 6.563 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.900 7.046 -4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.889 8.554 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.354 8.782 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.353 7.283 -4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.075 8.736 -6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.437 8.532 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.282 9.895 -5.423 1.00 0.00 H new ATOM 257 N ALA A 21 8.841 8.865 1.350 1.00 0.00 N ATOM 258 CA ALA A 21 7.590 9.361 1.891 1.00 0.00 C ATOM 259 C ALA A 21 6.735 9.877 0.739 1.00 0.00 C ATOM 260 O ALA A 21 7.010 10.943 0.191 1.00 0.00 O ATOM 261 CB ALA A 21 7.872 10.452 2.927 1.00 0.00 C ATOM 0 H ALA A 21 9.647 9.448 1.575 1.00 0.00 H new ATOM 0 HA ALA A 21 7.045 8.565 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.930 10.822 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.476 10.039 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.411 11.273 2.454 1.00 0.00 H new ATOM 267 N ALA A 22 5.726 9.095 0.349 1.00 0.00 N ATOM 268 CA ALA A 22 4.785 9.469 -0.695 1.00 0.00 C ATOM 269 C ALA A 22 4.043 10.762 -0.322 1.00 0.00 C ATOM 270 O ALA A 22 4.208 11.290 0.781 1.00 0.00 O ATOM 271 CB ALA A 22 3.819 8.308 -0.961 1.00 0.00 C ATOM 0 H ALA A 22 5.542 8.178 0.756 1.00 0.00 H new ATOM 0 HA ALA A 22 5.330 9.671 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.116 8.592 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.383 7.431 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.271 8.074 -0.048 1.00 0.00 H new ATOM 277 N MET A 23 3.222 11.246 -1.262 1.00 0.00 N ATOM 278 CA MET A 23 2.458 12.490 -1.190 1.00 0.00 C ATOM 279 C MET A 23 2.038 12.876 0.236 1.00 0.00 C ATOM 280 O MET A 23 1.447 12.076 0.957 1.00 0.00 O ATOM 281 CB MET A 23 1.223 12.415 -2.105 1.00 0.00 C ATOM 282 CG MET A 23 1.545 12.127 -3.579 1.00 0.00 C ATOM 283 SD MET A 23 2.708 13.251 -4.398 1.00 0.00 S ATOM 284 CE MET A 23 1.733 14.772 -4.418 1.00 0.00 C ATOM 0 H MET A 23 3.067 10.750 -2.140 1.00 0.00 H new ATOM 0 HA MET A 23 3.129 13.277 -1.535 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.556 11.638 -1.732 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.680 13.358 -2.041 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.945 11.115 -3.648 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.610 12.139 -4.139 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.295 15.558 -4.924 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.797 14.597 -4.948 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.519 15.080 -3.395 1.00 0.00 H new ATOM 294 N GLY A 24 2.331 14.121 0.624 1.00 0.00 N ATOM 295 CA GLY A 24 1.986 14.661 1.930 1.00 0.00 C ATOM 296 C GLY A 24 2.613 13.857 3.068 1.00 0.00 C ATOM 297 O GLY A 24 1.910 13.402 3.968 1.00 0.00 O ATOM 0 H GLY A 24 2.822 14.786 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.318 15.697 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.902 14.666 2.045 1.00 0.00 H new ATOM 301 N SER A 25 3.940 13.709 3.021 1.00 0.00 N ATOM 302 CA SER A 25 4.751 13.039 4.030 1.00 0.00 C ATOM 303 C SER A 25 4.118 11.741 4.533 1.00 0.00 C ATOM 304 O SER A 25 3.928 11.551 5.735 1.00 0.00 O ATOM 305 CB SER A 25 5.027 14.006 5.179 1.00 0.00 C ATOM 306 OG SER A 25 5.603 15.196 4.671 1.00 0.00 O ATOM 0 H SER A 25 4.497 14.069 2.246 1.00 0.00 H new ATOM 0 HA SER A 25 5.693 12.748 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.100 14.235 5.706 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.699 13.545 5.902 1.00 0.00 H new ATOM 0 HG SER A 25 5.778 15.816 5.410 1.00 0.00 H new ATOM 312 N ALA A 26 3.806 10.846 3.600 1.00 0.00 N ATOM 313 CA ALA A 26 3.177 9.573 3.904 1.00 0.00 C ATOM 314 C ALA A 26 4.068 8.725 4.812 1.00 0.00 C ATOM 315 O ALA A 26 5.286 8.718 4.626 1.00 0.00 O ATOM 316 CB ALA A 26 2.963 8.832 2.585 1.00 0.00 C ATOM 0 H ALA A 26 3.985 10.989 2.606 1.00 0.00 H new ATOM 0 HA ALA A 26 2.233 9.749 4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.491 7.869 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.321 9.425 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.925 8.672 2.097 1.00 0.00 H new ATOM 322 N LYS A 27 3.489 7.998 5.777 1.00 0.00 N ATOM 323 CA LYS A 27 4.207 7.042 6.580 1.00 0.00 C ATOM 324 C LYS A 27 4.873 6.080 5.591 1.00 0.00 C ATOM 325 O LYS A 27 4.172 5.507 4.754 1.00 0.00 O ATOM 326 CB LYS A 27 3.153 6.336 7.433 1.00 0.00 C ATOM 327 CG LYS A 27 2.959 6.919 8.835 1.00 0.00 C ATOM 328 CD LYS A 27 2.559 8.403 8.952 1.00 0.00 C ATOM 329 CE LYS A 27 3.681 9.443 8.814 1.00 0.00 C ATOM 330 NZ LYS A 27 4.813 9.168 9.717 1.00 0.00 N ATOM 0 H LYS A 27 2.499 8.069 6.012 1.00 0.00 H new ATOM 0 HA LYS A 27 4.968 7.472 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.199 6.370 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.428 5.285 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.196 6.327 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.889 6.779 9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.808 8.612 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.080 8.549 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.036 9.456 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.282 10.435 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.456 9.986 9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.456 8.996 10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.327 8.328 9.383 1.00 0.00 H new ATOM 344 N PRO A 28 6.206 5.931 5.620 1.00 0.00 N ATOM 345 CA PRO A 28 6.887 5.094 4.656 1.00 0.00 C ATOM 346 C PRO A 28 6.381 3.666 4.795 1.00 0.00 C ATOM 347 O PRO A 28 6.080 3.200 5.892 1.00 0.00 O ATOM 348 CB PRO A 28 8.381 5.237 4.949 1.00 0.00 C ATOM 349 CG PRO A 28 8.412 5.620 6.429 1.00 0.00 C ATOM 350 CD PRO A 28 7.141 6.453 6.602 1.00 0.00 C ATOM 0 HA PRO A 28 6.698 5.384 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.919 4.307 4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.842 6.003 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.407 4.740 7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.305 6.192 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.744 6.359 7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.338 7.512 6.434 1.00 0.00 H new ATOM 358 N VAL A 29 6.249 2.982 3.665 1.00 0.00 N ATOM 359 CA VAL A 29 5.712 1.638 3.626 1.00 0.00 C ATOM 360 C VAL A 29 6.673 0.694 4.330 1.00 0.00 C ATOM 361 O VAL A 29 6.243 -0.066 5.193 1.00 0.00 O ATOM 362 CB VAL A 29 5.547 1.241 2.154 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.393 -0.263 1.939 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.304 1.931 1.591 1.00 0.00 C ATOM 0 H VAL A 29 6.513 3.349 2.751 1.00 0.00 H new ATOM 0 HA VAL A 29 4.748 1.586 4.132 1.00 0.00 H new ATOM 0 HB VAL A 29 6.459 1.552 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.281 -0.469 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.277 -0.777 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.511 -0.618 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.178 1.655 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.427 1.619 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.421 3.012 1.670 1.00 0.00 H new ATOM 374 N LYS A 30 7.940 0.750 3.897 1.00 0.00 N ATOM 375 CA LYS A 30 9.089 -0.048 4.314 1.00 0.00 C ATOM 376 C LYS A 30 8.869 -0.669 5.698 1.00 0.00 C ATOM 377 O LYS A 30 9.230 -0.080 6.716 1.00 0.00 O ATOM 378 CB LYS A 30 10.322 0.860 4.289 1.00 0.00 C ATOM 379 CG LYS A 30 11.674 0.131 4.324 1.00 0.00 C ATOM 380 CD LYS A 30 12.025 -0.562 5.645 1.00 0.00 C ATOM 381 CE LYS A 30 13.468 -1.080 5.615 1.00 0.00 C ATOM 382 NZ LYS A 30 13.661 -2.069 4.538 1.00 0.00 N ATOM 0 H LYS A 30 8.206 1.422 3.177 1.00 0.00 H new ATOM 0 HA LYS A 30 9.232 -0.884 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.282 1.475 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.271 1.538 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.683 -0.616 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.459 0.851 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.901 0.136 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.339 -1.390 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.153 -0.245 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.714 -1.533 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.567 -2.560 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.885 -2.761 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.667 -1.584 3.618 1.00 0.00 H new ATOM 396 N GLY A 31 8.243 -1.845 5.728 1.00 0.00 N ATOM 397 CA GLY A 31 7.907 -2.579 6.932 1.00 0.00 C ATOM 398 C GLY A 31 7.406 -1.734 8.107 1.00 0.00 C ATOM 399 O GLY A 31 7.853 -1.963 9.229 1.00 0.00 O ATOM 0 H GLY A 31 7.948 -2.325 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.142 -3.315 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.788 -3.132 7.256 1.00 0.00 H new ATOM 403 N GLN A 32 6.454 -0.806 7.897 1.00 0.00 N ATOM 404 CA GLN A 32 5.912 -0.034 9.027 1.00 0.00 C ATOM 405 C GLN A 32 5.289 -0.976 10.075 1.00 0.00 C ATOM 406 O GLN A 32 5.317 -0.712 11.274 1.00 0.00 O ATOM 407 CB GLN A 32 5.051 1.179 8.608 1.00 0.00 C ATOM 408 CG GLN A 32 3.842 0.806 7.758 1.00 0.00 C ATOM 409 CD GLN A 32 2.920 1.956 7.346 1.00 0.00 C ATOM 410 OE1 GLN A 32 1.774 1.986 7.784 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.364 2.867 6.482 1.00 0.00 N ATOM 0 H GLN A 32 6.056 -0.578 6.986 1.00 0.00 H new ATOM 0 HA GLN A 32 6.744 0.458 9.530 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.709 1.697 9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.673 1.880 8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.199 0.313 6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.251 0.074 8.308 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.322 2.817 6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.746 3.615 6.167 1.00 0.00 H new ATOM 420 N GLY A 33 4.770 -2.101 9.589 1.00 0.00 N ATOM 421 CA GLY A 33 4.281 -3.251 10.345 1.00 0.00 C ATOM 422 C GLY A 33 3.378 -4.076 9.435 1.00 0.00 C ATOM 423 O GLY A 33 2.558 -3.479 8.759 1.00 0.00 O ATOM 0 H GLY A 33 4.673 -2.243 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.116 -3.855 10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.731 -2.920 11.226 1.00 0.00 H new ATOM 427 N ALA A 34 3.482 -5.409 9.363 1.00 0.00 N ATOM 428 CA ALA A 34 2.594 -6.164 8.469 1.00 0.00 C ATOM 429 C ALA A 34 1.135 -5.962 8.867 1.00 0.00 C ATOM 430 O ALA A 34 0.272 -5.917 8.001 1.00 0.00 O ATOM 431 CB ALA A 34 2.938 -7.656 8.391 1.00 0.00 C ATOM 0 H ALA A 34 4.148 -5.972 9.893 1.00 0.00 H new ATOM 0 HA ALA A 34 2.750 -5.764 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.244 -8.154 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.956 -7.776 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.859 -8.100 9.383 1.00 0.00 H new ATOM 437 N GLU A 35 0.849 -5.821 10.165 1.00 0.00 N ATOM 438 CA GLU A 35 -0.475 -5.536 10.655 1.00 0.00 C ATOM 439 C GLU A 35 -0.905 -4.163 10.136 1.00 0.00 C ATOM 440 O GLU A 35 -1.944 -4.045 9.494 1.00 0.00 O ATOM 441 CB GLU A 35 -0.406 -5.575 12.183 1.00 0.00 C ATOM 442 CG GLU A 35 -0.270 -7.004 12.731 1.00 0.00 C ATOM 443 CD GLU A 35 -1.454 -7.893 12.352 1.00 0.00 C ATOM 444 OE1 GLU A 35 -2.599 -7.403 12.471 1.00 0.00 O ATOM 445 OE2 GLU A 35 -1.192 -9.044 11.942 1.00 0.00 O ATOM 0 H GLU A 35 1.549 -5.905 10.902 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.211 -6.263 10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.441 -4.978 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.304 -5.115 12.596 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.650 -7.449 12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.182 -6.966 13.817 1.00 0.00 H new ATOM 452 N GLU A 36 -0.086 -3.141 10.404 1.00 0.00 N ATOM 453 CA GLU A 36 -0.290 -1.773 9.950 1.00 0.00 C ATOM 454 C GLU A 36 -0.626 -1.775 8.459 1.00 0.00 C ATOM 455 O GLU A 36 -1.699 -1.345 8.036 1.00 0.00 O ATOM 456 CB GLU A 36 1.010 -0.984 10.204 1.00 0.00 C ATOM 457 CG GLU A 36 1.244 -0.668 11.682 1.00 0.00 C ATOM 458 CD GLU A 36 0.279 0.395 12.198 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.495 1.575 11.847 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.666 0.005 12.917 1.00 0.00 O ATOM 0 H GLU A 36 0.762 -3.253 10.960 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.116 -1.309 10.489 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.855 -1.557 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.977 -0.052 9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.129 -1.578 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.269 -0.326 11.822 1.00 0.00 H new ATOM 467 N LEU A 37 0.316 -2.288 7.675 1.00 0.00 N ATOM 468 CA LEU A 37 0.273 -2.403 6.251 1.00 0.00 C ATOM 469 C LEU A 37 -0.993 -3.126 5.814 1.00 0.00 C ATOM 470 O LEU A 37 -1.726 -2.601 4.987 1.00 0.00 O ATOM 471 CB LEU A 37 1.546 -3.168 5.878 1.00 0.00 C ATOM 472 CG LEU A 37 2.834 -2.327 5.953 1.00 0.00 C ATOM 473 CD1 LEU A 37 4.067 -3.231 5.847 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.895 -1.303 4.821 1.00 0.00 C ATOM 0 H LEU A 37 1.185 -2.656 8.062 1.00 0.00 H new ATOM 0 HA LEU A 37 0.241 -1.437 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.647 -4.027 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.439 -3.558 4.866 1.00 0.00 H new ATOM 0 HG LEU A 37 2.825 -1.808 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.970 -2.623 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.063 -3.949 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.046 -3.765 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.816 -0.725 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.874 -1.820 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.039 -0.632 4.891 1.00 0.00 H new ATOM 486 N TYR A 38 -1.265 -4.313 6.360 1.00 0.00 N ATOM 487 CA TYR A 38 -2.447 -5.078 6.011 1.00 0.00 C ATOM 488 C TYR A 38 -3.709 -4.263 6.236 1.00 0.00 C ATOM 489 O TYR A 38 -4.512 -4.107 5.326 1.00 0.00 O ATOM 490 CB TYR A 38 -2.510 -6.411 6.764 1.00 0.00 C ATOM 491 CG TYR A 38 -3.726 -7.233 6.381 1.00 0.00 C ATOM 492 CD1 TYR A 38 -3.867 -7.689 5.057 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.785 -7.403 7.293 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.049 -8.332 4.654 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.963 -8.057 6.892 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.093 -8.524 5.572 1.00 0.00 C ATOM 497 OH TYR A 38 -7.224 -9.175 5.179 1.00 0.00 O ATOM 0 H TYR A 38 -0.669 -4.764 7.054 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.378 -5.312 4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.607 -6.985 6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.527 -6.219 7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.064 -7.544 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.692 -7.030 8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.155 -8.679 3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.768 -8.201 7.598 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.850 -9.227 5.931 1.00 0.00 H new ATOM 507 N LYS A 39 -3.885 -3.739 7.443 1.00 0.00 N ATOM 508 CA LYS A 39 -5.080 -2.990 7.782 1.00 0.00 C ATOM 509 C LYS A 39 -5.263 -1.773 6.876 1.00 0.00 C ATOM 510 O LYS A 39 -6.342 -1.589 6.314 1.00 0.00 O ATOM 511 CB LYS A 39 -5.037 -2.575 9.258 1.00 0.00 C ATOM 512 CG LYS A 39 -5.087 -3.757 10.239 1.00 0.00 C ATOM 513 CD LYS A 39 -6.418 -4.520 10.203 1.00 0.00 C ATOM 514 CE LYS A 39 -6.505 -5.538 11.348 1.00 0.00 C ATOM 515 NZ LYS A 39 -5.440 -6.556 11.275 1.00 0.00 N ATOM 0 H LYS A 39 -3.210 -3.822 8.203 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.942 -3.638 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.126 -2.004 9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.876 -1.910 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.275 -4.446 10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.915 -3.388 11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.246 -3.815 10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.520 -5.034 9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.439 -5.015 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.477 -6.030 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.580 -7.259 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.474 -7.029 10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.514 -6.099 11.396 1.00 0.00 H new ATOM 529 N LYS A 40 -4.239 -0.931 6.721 1.00 0.00 N ATOM 530 CA LYS A 40 -4.372 0.247 5.899 1.00 0.00 C ATOM 531 C LYS A 40 -4.555 -0.127 4.424 1.00 0.00 C ATOM 532 O LYS A 40 -5.416 0.447 3.761 1.00 0.00 O ATOM 533 CB LYS A 40 -3.165 1.153 6.143 1.00 0.00 C ATOM 534 CG LYS A 40 -3.371 2.116 7.329 1.00 0.00 C ATOM 535 CD LYS A 40 -2.875 1.585 8.679 1.00 0.00 C ATOM 536 CE LYS A 40 -1.344 1.621 8.791 1.00 0.00 C ATOM 537 NZ LYS A 40 -0.808 2.991 8.870 1.00 0.00 N ATOM 0 H LYS A 40 -3.323 -1.051 7.153 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.271 0.799 6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.286 0.537 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.963 1.732 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.858 3.053 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.433 2.346 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.310 2.179 9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.223 0.561 8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.036 1.064 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.909 1.115 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.162 3.007 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.407 3.631 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.800 3.304 9.862 1.00 0.00 H new ATOM 551 N MET A 41 -3.779 -1.082 3.900 1.00 0.00 N ATOM 552 CA MET A 41 -3.904 -1.488 2.505 1.00 0.00 C ATOM 553 C MET A 41 -5.296 -2.079 2.247 1.00 0.00 C ATOM 554 O MET A 41 -5.917 -1.781 1.226 1.00 0.00 O ATOM 555 CB MET A 41 -2.706 -2.349 2.055 1.00 0.00 C ATOM 556 CG MET A 41 -2.738 -3.864 2.307 1.00 0.00 C ATOM 557 SD MET A 41 -3.842 -4.764 1.224 1.00 0.00 S ATOM 558 CE MET A 41 -3.229 -4.184 -0.373 1.00 0.00 C ATOM 0 H MET A 41 -3.061 -1.584 4.423 1.00 0.00 H new ATOM 0 HA MET A 41 -3.845 -0.616 1.854 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.576 -2.197 0.983 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.815 -1.953 2.543 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.730 -4.262 2.192 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.035 -4.043 3.340 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.347 -4.973 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.795 -3.306 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.174 -3.923 -0.285 1.00 0.00 H new ATOM 568 N LYS A 42 -5.801 -2.870 3.200 1.00 0.00 N ATOM 569 CA LYS A 42 -7.147 -3.421 3.161 1.00 0.00 C ATOM 570 C LYS A 42 -8.121 -2.251 3.089 1.00 0.00 C ATOM 571 O LYS A 42 -8.929 -2.179 2.169 1.00 0.00 O ATOM 572 CB LYS A 42 -7.404 -4.308 4.399 1.00 0.00 C ATOM 573 CG LYS A 42 -8.686 -5.155 4.348 1.00 0.00 C ATOM 574 CD LYS A 42 -9.974 -4.359 4.602 1.00 0.00 C ATOM 575 CE LYS A 42 -11.168 -5.309 4.748 1.00 0.00 C ATOM 576 NZ LYS A 42 -12.432 -4.566 4.903 1.00 0.00 N ATOM 0 H LYS A 42 -5.274 -3.145 4.029 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.281 -4.060 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.552 -4.976 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.446 -3.669 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.754 -5.633 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.612 -5.952 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.866 -3.759 5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.150 -3.667 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.229 -5.955 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.016 -5.956 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.220 -5.238 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.381 -3.968 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.588 -3.967 4.067 1.00 0.00 H new ATOM 590 N GLY A 43 -8.031 -1.331 4.054 1.00 0.00 N ATOM 591 CA GLY A 43 -8.874 -0.151 4.143 1.00 0.00 C ATOM 592 C GLY A 43 -8.917 0.606 2.817 1.00 0.00 C ATOM 593 O GLY A 43 -9.992 0.957 2.327 1.00 0.00 O ATOM 0 H GLY A 43 -7.350 -1.395 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.884 -0.445 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.499 0.507 4.927 1.00 0.00 H new ATOM 597 N TYR A 44 -7.738 0.844 2.240 1.00 0.00 N ATOM 598 CA TYR A 44 -7.588 1.512 0.968 1.00 0.00 C ATOM 599 C TYR A 44 -8.326 0.728 -0.120 1.00 0.00 C ATOM 600 O TYR A 44 -9.292 1.242 -0.678 1.00 0.00 O ATOM 601 CB TYR A 44 -6.090 1.682 0.663 1.00 0.00 C ATOM 602 CG TYR A 44 -5.382 2.853 1.336 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.929 4.151 1.277 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.073 2.688 1.834 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.209 5.251 1.769 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.321 3.804 2.241 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.907 5.077 2.259 1.00 0.00 C ATOM 608 OH TYR A 44 -3.184 6.155 2.668 1.00 0.00 O ATOM 0 H TYR A 44 -6.850 0.568 2.660 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.034 2.506 1.001 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.578 0.764 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.972 1.788 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.910 4.300 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.646 1.699 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.659 6.233 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.291 3.680 2.540 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.303 5.859 2.980 1.00 0.00 H new ATOM 618 N ALA A 45 -7.933 -0.521 -0.393 1.00 0.00 N ATOM 619 CA ALA A 45 -8.563 -1.315 -1.448 1.00 0.00 C ATOM 620 C ALA A 45 -10.081 -1.414 -1.265 1.00 0.00 C ATOM 621 O ALA A 45 -10.832 -1.356 -2.236 1.00 0.00 O ATOM 622 CB ALA A 45 -7.917 -2.699 -1.505 1.00 0.00 C ATOM 0 H ALA A 45 -7.182 -1.002 0.103 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.400 -0.809 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.388 -3.288 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.853 -2.595 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.049 -3.202 -0.547 1.00 0.00 H new ATOM 628 N ASP A 46 -10.523 -1.556 -0.014 1.00 0.00 N ATOM 629 CA ASP A 46 -11.921 -1.633 0.379 1.00 0.00 C ATOM 630 C ASP A 46 -12.654 -0.318 0.100 1.00 0.00 C ATOM 631 O ASP A 46 -13.860 -0.327 -0.132 1.00 0.00 O ATOM 632 CB ASP A 46 -11.978 -1.998 1.868 1.00 0.00 C ATOM 633 CG ASP A 46 -13.377 -1.889 2.456 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.119 -2.889 2.358 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.652 -0.815 3.035 1.00 0.00 O ATOM 0 H ASP A 46 -9.887 -1.623 0.781 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.427 -2.398 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.613 -3.016 2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.305 -1.344 2.422 1.00 0.00 H new ATOM 640 N GLY A 47 -11.942 0.810 0.136 1.00 0.00 N ATOM 641 CA GLY A 47 -12.513 2.123 -0.107 1.00 0.00 C ATOM 642 C GLY A 47 -13.060 2.750 1.173 1.00 0.00 C ATOM 643 O GLY A 47 -14.018 3.517 1.113 1.00 0.00 O ATOM 0 H GLY A 47 -10.942 0.831 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.753 2.776 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.314 2.041 -0.842 1.00 0.00 H new ATOM 647 N SER A 48 -12.458 2.435 2.326 1.00 0.00 N ATOM 648 CA SER A 48 -12.839 3.002 3.614 1.00 0.00 C ATOM 649 C SER A 48 -11.744 3.961 4.070 1.00 0.00 C ATOM 650 O SER A 48 -11.942 5.173 4.102 1.00 0.00 O ATOM 651 CB SER A 48 -13.068 1.881 4.632 1.00 0.00 C ATOM 652 OG SER A 48 -12.067 0.891 4.501 1.00 0.00 O ATOM 0 H SER A 48 -11.685 1.772 2.386 1.00 0.00 H new ATOM 0 HA SER A 48 -13.773 3.556 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.056 2.289 5.643 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.052 1.437 4.480 1.00 0.00 H new ATOM 0 HG SER A 48 -12.419 0.136 3.985 1.00 0.00 H new ATOM 658 N TYR A 49 -10.587 3.411 4.443 1.00 0.00 N ATOM 659 CA TYR A 49 -9.446 4.219 4.855 1.00 0.00 C ATOM 660 C TYR A 49 -9.007 5.076 3.669 1.00 0.00 C ATOM 661 O TYR A 49 -8.676 4.534 2.618 1.00 0.00 O ATOM 662 CB TYR A 49 -8.296 3.325 5.336 1.00 0.00 C ATOM 663 CG TYR A 49 -7.035 4.076 5.733 1.00 0.00 C ATOM 664 CD1 TYR A 49 -7.075 5.009 6.786 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.818 3.831 5.067 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.905 5.684 7.175 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.646 4.498 5.469 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.688 5.423 6.525 1.00 0.00 C ATOM 669 OH TYR A 49 -3.548 6.017 6.979 1.00 0.00 O ATOM 0 H TYR A 49 -10.419 2.405 4.467 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.730 4.863 5.688 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.640 2.741 6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.048 2.617 4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.006 5.207 7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.784 3.130 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.942 6.406 7.977 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.712 4.298 4.964 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.770 5.494 6.693 1.00 0.00 H new ATOM 679 N GLY A 50 -9.003 6.400 3.826 1.00 0.00 N ATOM 680 CA GLY A 50 -8.610 7.307 2.767 1.00 0.00 C ATOM 681 C GLY A 50 -8.826 8.748 3.208 1.00 0.00 C ATOM 682 O GLY A 50 -9.207 9.003 4.350 1.00 0.00 O ATOM 0 H GLY A 50 -9.273 6.865 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.562 7.149 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.191 7.102 1.868 1.00 0.00 H new ATOM 686 N GLY A 51 -8.567 9.683 2.296 1.00 0.00 N ATOM 687 CA GLY A 51 -8.693 11.115 2.489 1.00 0.00 C ATOM 688 C GLY A 51 -8.112 11.780 1.244 1.00 0.00 C ATOM 689 O GLY A 51 -7.430 11.101 0.480 1.00 0.00 O ATOM 0 H GLY A 51 -8.248 9.444 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.737 11.396 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.157 11.433 3.383 1.00 0.00 H new ATOM 693 N GLU A 52 -8.387 13.074 1.048 1.00 0.00 N ATOM 694 CA GLU A 52 -7.952 13.921 -0.066 1.00 0.00 C ATOM 695 C GLU A 52 -6.953 13.268 -1.047 1.00 0.00 C ATOM 696 O GLU A 52 -7.376 12.626 -2.005 1.00 0.00 O ATOM 697 CB GLU A 52 -7.496 15.299 0.468 1.00 0.00 C ATOM 698 CG GLU A 52 -7.023 15.334 1.935 1.00 0.00 C ATOM 699 CD GLU A 52 -5.872 14.378 2.224 1.00 0.00 C ATOM 700 OE1 GLU A 52 -4.809 14.576 1.596 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.068 13.452 3.040 1.00 0.00 O ATOM 0 H GLU A 52 -8.961 13.594 1.712 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.824 14.069 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.684 15.660 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.323 16.001 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.714 16.349 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.862 15.087 2.585 1.00 0.00 H new ATOM 708 N ARG A 53 -5.641 13.409 -0.832 1.00 0.00 N ATOM 709 CA ARG A 53 -4.625 12.848 -1.722 1.00 0.00 C ATOM 710 C ARG A 53 -4.679 11.322 -1.762 1.00 0.00 C ATOM 711 O ARG A 53 -4.506 10.696 -2.809 1.00 0.00 O ATOM 712 CB ARG A 53 -3.237 13.330 -1.276 1.00 0.00 C ATOM 713 CG ARG A 53 -2.740 12.677 0.027 1.00 0.00 C ATOM 714 CD ARG A 53 -1.660 13.567 0.645 1.00 0.00 C ATOM 715 NE ARG A 53 -1.082 12.974 1.855 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.562 13.107 3.098 1.00 0.00 C ATOM 717 NH1 ARG A 53 -2.789 13.596 3.306 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.793 12.763 4.136 1.00 0.00 N ATOM 0 H ARG A 53 -5.256 13.916 -0.035 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.827 13.198 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.519 13.125 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.264 14.411 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.568 12.549 0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.339 11.684 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.870 13.739 -0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.088 14.540 0.887 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.240 12.410 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.369 13.872 2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.145 13.693 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.148 12.404 3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.147 12.860 5.088 1.00 0.00 H new ATOM 732 N LYS A 54 -4.929 10.728 -0.594 1.00 0.00 N ATOM 733 CA LYS A 54 -4.975 9.293 -0.406 1.00 0.00 C ATOM 734 C LYS A 54 -6.068 8.669 -1.269 1.00 0.00 C ATOM 735 O LYS A 54 -6.057 7.466 -1.497 1.00 0.00 O ATOM 736 CB LYS A 54 -5.132 8.922 1.075 1.00 0.00 C ATOM 737 CG LYS A 54 -4.622 9.978 2.061 1.00 0.00 C ATOM 738 CD LYS A 54 -4.449 9.343 3.448 1.00 0.00 C ATOM 739 CE LYS A 54 -3.957 10.350 4.491 1.00 0.00 C ATOM 740 NZ LYS A 54 -4.970 11.380 4.785 1.00 0.00 N ATOM 0 H LYS A 54 -5.108 11.252 0.263 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.021 8.880 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.186 8.735 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.602 7.988 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.672 10.385 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.325 10.810 2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.400 8.922 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.741 8.517 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.698 9.823 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.047 10.829 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.638 11.980 5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.124 11.966 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.863 10.921 5.056 1.00 0.00 H new ATOM 754 N ALA A 55 -7.023 9.467 -1.750 1.00 0.00 N ATOM 755 CA ALA A 55 -8.042 9.005 -2.683 1.00 0.00 C ATOM 756 C ALA A 55 -7.406 8.277 -3.876 1.00 0.00 C ATOM 757 O ALA A 55 -7.998 7.337 -4.399 1.00 0.00 O ATOM 758 CB ALA A 55 -8.901 10.181 -3.152 1.00 0.00 C ATOM 0 H ALA A 55 -7.108 10.452 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.685 8.292 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.659 9.823 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.387 10.642 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.270 10.917 -3.649 1.00 0.00 H new ATOM 764 N MET A 56 -6.205 8.685 -4.307 1.00 0.00 N ATOM 765 CA MET A 56 -5.496 7.988 -5.370 1.00 0.00 C ATOM 766 C MET A 56 -5.114 6.592 -4.859 1.00 0.00 C ATOM 767 O MET A 56 -5.591 5.570 -5.352 1.00 0.00 O ATOM 768 CB MET A 56 -4.256 8.802 -5.762 1.00 0.00 C ATOM 769 CG MET A 56 -4.619 10.159 -6.375 1.00 0.00 C ATOM 770 SD MET A 56 -3.183 11.141 -6.882 1.00 0.00 S ATOM 771 CE MET A 56 -4.023 12.623 -7.480 1.00 0.00 C ATOM 0 H MET A 56 -5.711 9.494 -3.932 1.00 0.00 H new ATOM 0 HA MET A 56 -6.121 7.878 -6.256 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.634 8.959 -4.881 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.661 8.232 -6.475 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.260 9.996 -7.241 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.201 10.730 -5.651 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.284 13.342 -7.834 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.692 12.357 -8.299 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.601 13.066 -6.669 1.00 0.00 H new ATOM 781 N MET A 57 -4.270 6.586 -3.824 1.00 0.00 N ATOM 782 CA MET A 57 -3.756 5.435 -3.100 1.00 0.00 C ATOM 783 C MET A 57 -4.861 4.403 -2.855 1.00 0.00 C ATOM 784 O MET A 57 -4.662 3.212 -3.092 1.00 0.00 O ATOM 785 CB MET A 57 -3.113 5.954 -1.804 1.00 0.00 C ATOM 786 CG MET A 57 -2.727 4.842 -0.835 1.00 0.00 C ATOM 787 SD MET A 57 -1.585 3.624 -1.502 1.00 0.00 S ATOM 788 CE MET A 57 -2.305 2.054 -0.965 1.00 0.00 C ATOM 0 H MET A 57 -3.903 7.459 -3.445 1.00 0.00 H new ATOM 0 HA MET A 57 -2.999 4.910 -3.682 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.224 6.533 -2.054 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.807 6.633 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.280 5.291 0.052 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.633 4.331 -0.511 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.005 1.262 -1.651 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.953 1.817 0.039 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.392 2.136 -0.958 1.00 0.00 H new ATOM 798 N THR A 58 -6.039 4.869 -2.430 1.00 0.00 N ATOM 799 CA THR A 58 -7.224 4.057 -2.186 1.00 0.00 C ATOM 800 C THR A 58 -7.410 3.018 -3.289 1.00 0.00 C ATOM 801 O THR A 58 -7.667 1.848 -3.006 1.00 0.00 O ATOM 802 CB THR A 58 -8.460 4.960 -2.049 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.270 5.904 -1.013 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.711 4.159 -1.694 1.00 0.00 C ATOM 0 H THR A 58 -6.194 5.859 -2.241 1.00 0.00 H new ATOM 0 HA THR A 58 -7.092 3.514 -1.250 1.00 0.00 H new ATOM 0 HB THR A 58 -8.592 5.450 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.580 6.547 -1.279 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.562 4.834 -1.606 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.908 3.426 -2.476 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.557 3.645 -0.746 1.00 0.00 H new ATOM 812 N ASN A 59 -7.280 3.421 -4.556 1.00 0.00 N ATOM 813 CA ASN A 59 -7.429 2.490 -5.667 1.00 0.00 C ATOM 814 C ASN A 59 -6.139 2.315 -6.446 1.00 0.00 C ATOM 815 O ASN A 59 -6.161 1.764 -7.541 1.00 0.00 O ATOM 816 CB ASN A 59 -8.664 2.832 -6.505 1.00 0.00 C ATOM 817 CG ASN A 59 -9.978 2.471 -5.802 1.00 0.00 C ATOM 818 OD1 ASN A 59 -11.044 2.832 -6.286 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.952 1.748 -4.677 1.00 0.00 N ATOM 0 H ASN A 59 -7.073 4.381 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.624 1.494 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.660 3.898 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.609 2.303 -7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.825 1.493 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.060 1.452 -4.282 1.00 0.00 H new ATOM 826 N ALA A 60 -4.999 2.655 -5.843 1.00 0.00 N ATOM 827 CA ALA A 60 -3.727 2.194 -6.391 1.00 0.00 C ATOM 828 C ALA A 60 -3.759 0.662 -6.280 1.00 0.00 C ATOM 829 O ALA A 60 -3.360 -0.054 -7.193 1.00 0.00 O ATOM 830 CB ALA A 60 -2.546 2.792 -5.622 1.00 0.00 C ATOM 0 H ALA A 60 -4.930 3.229 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.595 2.511 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.612 2.431 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.581 3.879 -5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.604 2.492 -4.576 1.00 0.00 H new ATOM 836 N VAL A 61 -4.313 0.177 -5.161 1.00 0.00 N ATOM 837 CA VAL A 61 -4.537 -1.229 -4.844 1.00 0.00 C ATOM 838 C VAL A 61 -5.926 -1.704 -5.294 1.00 0.00 C ATOM 839 O VAL A 61 -6.426 -2.669 -4.726 1.00 0.00 O ATOM 840 CB VAL A 61 -4.268 -1.461 -3.342 1.00 0.00 C ATOM 841 CG1 VAL A 61 -2.771 -1.313 -3.045 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.057 -0.500 -2.442 1.00 0.00 C ATOM 0 H VAL A 61 -4.633 0.794 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.835 -1.843 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.602 -2.474 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.593 -1.479 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.211 -2.046 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.444 -0.309 -3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.828 -0.710 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.779 0.528 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.125 -0.635 -2.614 1.00 0.00 H new ATOM 852 N LYS A 62 -6.527 -1.038 -6.297 1.00 0.00 N ATOM 853 CA LYS A 62 -7.785 -1.316 -6.983 1.00 0.00 C ATOM 854 C LYS A 62 -8.388 -2.674 -6.666 1.00 0.00 C ATOM 855 O LYS A 62 -8.276 -3.641 -7.415 1.00 0.00 O ATOM 856 CB LYS A 62 -7.599 -1.119 -8.490 1.00 0.00 C ATOM 857 CG LYS A 62 -8.926 -1.086 -9.263 1.00 0.00 C ATOM 858 CD LYS A 62 -8.706 -0.884 -10.769 1.00 0.00 C ATOM 859 CE LYS A 62 -8.078 0.477 -11.096 1.00 0.00 C ATOM 860 NZ LYS A 62 -8.032 0.710 -12.550 1.00 0.00 N ATOM 0 H LYS A 62 -6.088 -0.202 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.515 -0.601 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.061 -0.187 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.978 -1.924 -8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.466 -2.018 -9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.552 -0.282 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.062 -1.678 -11.148 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.661 -0.973 -11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.653 1.270 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.069 0.522 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.602 1.638 -12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.463 -0.034 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.998 0.691 -12.935 1.00 0.00 H new ATOM 874 N LYS A 63 -9.066 -2.670 -5.530 1.00 0.00 N ATOM 875 CA LYS A 63 -9.818 -3.762 -4.958 1.00 0.00 C ATOM 876 C LYS A 63 -9.079 -5.114 -5.064 1.00 0.00 C ATOM 877 O LYS A 63 -9.688 -6.131 -5.392 1.00 0.00 O ATOM 878 CB LYS A 63 -11.203 -3.772 -5.616 1.00 0.00 C ATOM 879 CG LYS A 63 -12.141 -2.644 -5.157 1.00 0.00 C ATOM 880 CD LYS A 63 -11.693 -1.229 -5.565 1.00 0.00 C ATOM 881 CE LYS A 63 -12.826 -0.212 -5.367 1.00 0.00 C ATOM 882 NZ LYS A 63 -13.962 -0.448 -6.276 1.00 0.00 N ATOM 0 H LYS A 63 -9.104 -1.837 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.933 -3.611 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.077 -3.704 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.681 -4.730 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.135 -2.828 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.230 -2.683 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.827 -0.933 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.380 -1.230 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.175 -0.258 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.439 0.794 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.530 0.420 -6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.605 -0.714 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.553 -1.216 -5.900 1.00 0.00 H new ATOM 896 N ALA A 64 -7.766 -5.129 -4.791 1.00 0.00 N ATOM 897 CA ALA A 64 -6.946 -6.331 -4.735 1.00 0.00 C ATOM 898 C ALA A 64 -7.648 -7.394 -3.873 1.00 0.00 C ATOM 899 O ALA A 64 -8.278 -7.077 -2.866 1.00 0.00 O ATOM 900 CB ALA A 64 -5.576 -5.913 -4.195 1.00 0.00 C ATOM 0 H ALA A 64 -7.238 -4.278 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.806 -6.787 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.926 -6.786 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.132 -5.175 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.693 -5.480 -3.201 1.00 0.00 H new ATOM 906 N SER A 65 -7.561 -8.658 -4.295 1.00 0.00 N ATOM 907 CA SER A 65 -8.258 -9.771 -3.643 1.00 0.00 C ATOM 908 C SER A 65 -7.526 -10.210 -2.374 1.00 0.00 C ATOM 909 O SER A 65 -6.351 -9.904 -2.219 1.00 0.00 O ATOM 910 CB SER A 65 -8.463 -10.922 -4.635 1.00 0.00 C ATOM 911 OG SER A 65 -9.263 -11.933 -4.054 1.00 0.00 O ATOM 0 H SER A 65 -7.003 -8.940 -5.101 1.00 0.00 H new ATOM 0 HA SER A 65 -9.246 -9.435 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.938 -10.549 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.498 -11.335 -4.928 1.00 0.00 H new ATOM 0 HG SER A 65 -8.687 -12.632 -3.680 1.00 0.00 H new ATOM 917 N ASP A 66 -8.187 -10.952 -1.479 1.00 0.00 N ATOM 918 CA ASP A 66 -7.634 -11.334 -0.177 1.00 0.00 C ATOM 919 C ASP A 66 -6.170 -11.790 -0.230 1.00 0.00 C ATOM 920 O ASP A 66 -5.346 -11.296 0.539 1.00 0.00 O ATOM 921 CB ASP A 66 -8.538 -12.348 0.543 1.00 0.00 C ATOM 922 CG ASP A 66 -8.313 -13.785 0.088 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.758 -14.100 -1.036 1.00 0.00 O ATOM 924 OD2 ASP A 66 -7.679 -14.532 0.864 1.00 0.00 O ATOM 0 H ASP A 66 -9.129 -11.307 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.619 -10.422 0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.363 -12.282 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.581 -12.079 0.373 1.00 0.00 H new ATOM 929 N GLU A 67 -5.832 -12.701 -1.148 1.00 0.00 N ATOM 930 CA GLU A 67 -4.500 -13.209 -1.328 1.00 0.00 C ATOM 931 C GLU A 67 -3.534 -12.063 -1.611 1.00 0.00 C ATOM 932 O GLU A 67 -2.485 -11.945 -0.984 1.00 0.00 O ATOM 933 CB GLU A 67 -4.515 -14.207 -2.493 1.00 0.00 C ATOM 934 CG GLU A 67 -5.704 -15.181 -2.557 1.00 0.00 C ATOM 935 CD GLU A 67 -6.791 -14.714 -3.524 1.00 0.00 C ATOM 936 OE1 GLU A 67 -7.154 -13.520 -3.434 1.00 0.00 O ATOM 937 OE2 GLU A 67 -7.228 -15.547 -4.345 1.00 0.00 O ATOM 0 H GLU A 67 -6.508 -13.106 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.164 -13.712 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.488 -13.642 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.597 -14.794 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.348 -16.165 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.132 -15.293 -1.561 1.00 0.00 H new ATOM 944 N GLU A 68 -3.924 -11.218 -2.565 1.00 0.00 N ATOM 945 CA GLU A 68 -3.179 -10.060 -2.993 1.00 0.00 C ATOM 946 C GLU A 68 -2.977 -9.122 -1.801 1.00 0.00 C ATOM 947 O GLU A 68 -1.865 -8.659 -1.577 1.00 0.00 O ATOM 948 CB GLU A 68 -3.964 -9.327 -4.088 1.00 0.00 C ATOM 949 CG GLU A 68 -4.505 -10.128 -5.280 1.00 0.00 C ATOM 950 CD GLU A 68 -3.421 -10.670 -6.207 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.235 -10.358 -5.968 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.801 -11.388 -7.159 1.00 0.00 O ATOM 0 H GLU A 68 -4.801 -11.336 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.210 -10.371 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.811 -8.834 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.320 -8.542 -4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.098 -10.962 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.177 -9.493 -5.856 1.00 0.00 H new ATOM 959 N LEU A 69 -4.051 -8.837 -1.053 1.00 0.00 N ATOM 960 CA LEU A 69 -4.018 -7.926 0.081 1.00 0.00 C ATOM 961 C LEU A 69 -2.999 -8.408 1.116 1.00 0.00 C ATOM 962 O LEU A 69 -2.051 -7.698 1.460 1.00 0.00 O ATOM 963 CB LEU A 69 -5.413 -7.780 0.733 1.00 0.00 C ATOM 964 CG LEU A 69 -6.538 -7.197 -0.144 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.871 -7.261 0.608 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.331 -5.736 -0.547 1.00 0.00 C ATOM 0 H LEU A 69 -4.972 -9.240 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.718 -6.945 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.729 -8.764 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.310 -7.149 1.616 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.533 -7.805 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.662 -6.847 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.104 -8.298 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.797 -6.683 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.168 -5.406 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.272 -5.117 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.405 -5.643 -1.114 1.00 0.00 H new ATOM 978 N LYS A 70 -3.198 -9.638 1.599 1.00 0.00 N ATOM 979 CA LYS A 70 -2.333 -10.252 2.595 1.00 0.00 C ATOM 980 C LYS A 70 -0.892 -10.231 2.095 1.00 0.00 C ATOM 981 O LYS A 70 0.020 -9.773 2.787 1.00 0.00 O ATOM 982 CB LYS A 70 -2.809 -11.687 2.862 1.00 0.00 C ATOM 983 CG LYS A 70 -4.195 -11.717 3.522 1.00 0.00 C ATOM 984 CD LYS A 70 -4.814 -13.113 3.388 1.00 0.00 C ATOM 985 CE LYS A 70 -6.212 -13.142 4.014 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.903 -14.410 3.722 1.00 0.00 N ATOM 0 H LYS A 70 -3.971 -10.235 1.304 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.378 -9.695 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.842 -12.239 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.090 -12.194 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.111 -11.448 4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.845 -10.977 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.874 -13.391 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.175 -13.849 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.133 -13.009 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.801 -12.308 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.761 -14.480 4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.165 -14.439 2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.271 -15.207 3.938 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.704 -10.698 0.862 1.00 0.00 N ATOM 1001 CA ALA A 71 0.605 -10.750 0.257 1.00 0.00 C ATOM 1002 C ALA A 71 1.220 -9.370 0.076 1.00 0.00 C ATOM 1003 O ALA A 71 2.439 -9.265 0.175 1.00 0.00 O ATOM 1004 CB ALA A 71 0.537 -11.524 -1.056 1.00 0.00 C ATOM 0 H ALA A 71 -1.455 -11.046 0.266 1.00 0.00 H new ATOM 0 HA ALA A 71 1.271 -11.280 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.528 -11.560 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.189 -12.539 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.155 -11.027 -1.736 1.00 0.00 H new ATOM 1010 N LEU A 72 0.441 -8.311 -0.187 1.00 0.00 N ATOM 1011 CA LEU A 72 1.031 -6.999 -0.315 1.00 0.00 C ATOM 1012 C LEU A 72 1.635 -6.636 1.035 1.00 0.00 C ATOM 1013 O LEU A 72 2.793 -6.233 1.091 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.005 -5.981 -0.813 1.00 0.00 C ATOM 1015 CG LEU A 72 0.324 -5.465 -2.223 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.819 -4.576 -2.714 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.645 -4.689 -2.298 1.00 0.00 C ATOM 0 H LEU A 72 -0.571 -8.347 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 72 1.822 -6.991 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.993 -6.442 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.049 -5.140 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 72 0.441 -6.341 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.590 -4.208 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.743 -5.154 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.941 -3.732 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.813 -4.355 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.597 -3.823 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.465 -5.336 -1.988 1.00 0.00 H new ATOM 1029 N ALA A 73 0.872 -6.800 2.120 1.00 0.00 N ATOM 1030 CA ALA A 73 1.384 -6.533 3.458 1.00 0.00 C ATOM 1031 C ALA A 73 2.661 -7.337 3.719 1.00 0.00 C ATOM 1032 O ALA A 73 3.701 -6.762 4.047 1.00 0.00 O ATOM 1033 CB ALA A 73 0.311 -6.834 4.500 1.00 0.00 C ATOM 0 H ALA A 73 -0.098 -7.115 2.094 1.00 0.00 H new ATOM 0 HA ALA A 73 1.642 -5.477 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.704 -6.631 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.560 -6.204 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.021 -7.882 4.431 1.00 0.00 H new ATOM 1039 N ASP A 74 2.588 -8.663 3.560 1.00 0.00 N ATOM 1040 CA ASP A 74 3.731 -9.551 3.739 1.00 0.00 C ATOM 1041 C ASP A 74 4.944 -9.042 2.953 1.00 0.00 C ATOM 1042 O ASP A 74 6.025 -8.897 3.517 1.00 0.00 O ATOM 1043 CB ASP A 74 3.384 -10.984 3.307 1.00 0.00 C ATOM 1044 CG ASP A 74 2.243 -11.608 4.108 1.00 0.00 C ATOM 1045 OD1 ASP A 74 2.183 -11.341 5.328 1.00 0.00 O ATOM 1046 OD2 ASP A 74 1.461 -12.360 3.486 1.00 0.00 O ATOM 0 H ASP A 74 1.728 -9.148 3.302 1.00 0.00 H new ATOM 0 HA ASP A 74 3.983 -9.561 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.115 -10.980 2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.271 -11.609 3.408 1.00 0.00 H new ATOM 1051 N TYR A 75 4.766 -8.763 1.659 1.00 0.00 N ATOM 1052 CA TYR A 75 5.829 -8.270 0.794 1.00 0.00 C ATOM 1053 C TYR A 75 6.402 -6.955 1.332 1.00 0.00 C ATOM 1054 O TYR A 75 7.612 -6.813 1.481 1.00 0.00 O ATOM 1055 CB TYR A 75 5.296 -8.105 -0.636 1.00 0.00 C ATOM 1056 CG TYR A 75 6.348 -7.644 -1.624 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.628 -6.272 -1.767 1.00 0.00 C ATOM 1058 CD2 TYR A 75 7.133 -8.591 -2.307 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.708 -5.855 -2.562 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.173 -8.167 -3.152 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.469 -6.799 -3.269 1.00 0.00 C ATOM 1062 OH TYR A 75 9.500 -6.395 -4.062 1.00 0.00 O ATOM 0 H TYR A 75 3.871 -8.876 1.183 1.00 0.00 H new ATOM 0 HA TYR A 75 6.642 -8.996 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.884 -9.056 -0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.476 -7.387 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.012 -5.540 -1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.936 -9.645 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.954 -4.805 -2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.744 -8.893 -3.711 1.00 0.00 H new ATOM 0 HH TYR A 75 9.920 -7.177 -4.476 1.00 0.00 H new ATOM 1072 N MET A 76 5.533 -5.987 1.628 1.00 0.00 N ATOM 1073 CA MET A 76 5.919 -4.679 2.142 1.00 0.00 C ATOM 1074 C MET A 76 6.627 -4.773 3.499 1.00 0.00 C ATOM 1075 O MET A 76 7.329 -3.844 3.897 1.00 0.00 O ATOM 1076 CB MET A 76 4.687 -3.772 2.184 1.00 0.00 C ATOM 1077 CG MET A 76 4.305 -3.329 0.762 1.00 0.00 C ATOM 1078 SD MET A 76 2.954 -2.130 0.612 1.00 0.00 S ATOM 1079 CE MET A 76 1.579 -3.070 1.293 1.00 0.00 C ATOM 0 H MET A 76 4.525 -6.095 1.514 1.00 0.00 H new ATOM 0 HA MET A 76 6.652 -4.238 1.467 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.853 -4.301 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.891 -2.898 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.190 -2.903 0.290 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.035 -4.217 0.191 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.710 -2.966 0.643 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.856 -4.122 1.362 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.337 -2.692 2.286 1.00 0.00 H new ATOM 1089 N SER A 77 6.450 -5.890 4.206 1.00 0.00 N ATOM 1090 CA SER A 77 7.135 -6.201 5.440 1.00 0.00 C ATOM 1091 C SER A 77 8.457 -6.940 5.198 1.00 0.00 C ATOM 1092 O SER A 77 9.064 -7.419 6.153 1.00 0.00 O ATOM 1093 CB SER A 77 6.178 -7.030 6.282 1.00 0.00 C ATOM 1094 OG SER A 77 4.968 -6.321 6.440 1.00 0.00 O ATOM 0 H SER A 77 5.801 -6.622 3.917 1.00 0.00 H new ATOM 0 HA SER A 77 7.408 -5.282 5.958 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.991 -7.991 5.802 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.620 -7.241 7.256 1.00 0.00 H new ATOM 0 HG SER A 77 4.369 -6.526 5.692 1.00 0.00 H new ATOM 1100 N LYS A 78 8.890 -7.065 3.940 1.00 0.00 N ATOM 1101 CA LYS A 78 10.136 -7.685 3.521 1.00 0.00 C ATOM 1102 C LYS A 78 10.649 -6.801 2.384 1.00 0.00 C ATOM 1103 O LYS A 78 10.996 -7.277 1.305 1.00 0.00 O ATOM 1104 CB LYS A 78 9.859 -9.117 3.041 1.00 0.00 C ATOM 1105 CG LYS A 78 9.256 -9.997 4.141 1.00 0.00 C ATOM 1106 CD LYS A 78 9.040 -11.423 3.619 1.00 0.00 C ATOM 1107 CE LYS A 78 8.305 -12.296 4.644 1.00 0.00 C ATOM 1108 NZ LYS A 78 6.938 -11.808 4.901 1.00 0.00 N ATOM 0 H LYS A 78 8.347 -6.716 3.150 1.00 0.00 H new ATOM 0 HA LYS A 78 10.870 -7.760 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.178 -9.087 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.788 -9.565 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.918 -10.015 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.307 -9.576 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.467 -11.389 2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.004 -11.874 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.262 -13.323 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.867 -12.311 5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.259 -12.581 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.868 -11.473 5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.721 -11.025 4.252 1.00 0.00 H new ATOM 1122 N LEU A 79 10.643 -5.494 2.640 1.00 0.00 N ATOM 1123 CA LEU A 79 10.914 -4.428 1.721 1.00 0.00 C ATOM 1124 C LEU A 79 11.524 -3.322 2.576 1.00 0.00 C ATOM 1125 O LEU A 79 12.299 -2.517 2.019 1.00 0.00 O ATOM 1126 CB LEU A 79 9.543 -4.038 1.168 1.00 0.00 C ATOM 1127 CG LEU A 79 9.583 -2.818 0.266 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.311 -3.136 -1.037 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.159 -2.349 -0.027 1.00 0.00 C ATOM 1130 OXT LEU A 79 11.207 -3.323 3.790 1.00 0.00 O ATOM 0 H LEU A 79 10.430 -5.142 3.573 1.00 0.00 H new ATOM 0 HA LEU A 79 11.588 -4.660 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.131 -4.879 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.866 -3.844 2.000 1.00 0.00 H new ATOM 0 HG LEU A 79 10.126 -2.022 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.329 -2.249 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.333 -3.445 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.792 -3.942 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.191 -1.473 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.608 -3.148 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.661 -2.091 0.908 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.716 4.024 -1.245 1.00 6.41 FE HETATM 1144 CHA HEC A 80 0.825 4.871 2.077 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.702 0.716 -0.367 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.932 3.180 -4.529 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.583 7.335 -2.040 1.00 10.53 C HETATM 1148 NA HEC A 80 0.748 3.008 0.487 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.843 3.524 1.761 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.889 2.463 2.736 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.683 1.312 2.062 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.702 1.642 0.660 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.507 -0.065 2.620 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.064 2.653 4.215 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.249 2.920 4.965 1.00 11.15 C HETATM 1156 CGA HEC A 80 -0.164 4.070 5.959 1.00 22.27 C HETATM 1157 O1A HEC A 80 0.934 4.376 6.412 1.00 18.65 O HETATM 1158 O2A HEC A 80 -1.203 4.657 6.253 1.00 17.21 O HETATM 1159 NB HEC A 80 0.780 2.303 -2.248 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.742 1.030 -1.717 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.752 0.049 -2.760 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.819 0.720 -3.942 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.832 2.134 -3.616 1.00 4.49 C HETATM 1164 CMB HEC A 80 0.768 -1.430 -2.492 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.958 0.138 -5.330 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.213 -0.717 -5.828 1.00 6.48 C HETATM 1167 NC HEC A 80 0.799 5.047 -2.927 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.903 4.534 -4.206 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.088 5.603 -5.157 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.210 6.748 -4.431 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.846 6.420 -3.065 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.238 5.399 -6.643 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.681 8.102 -4.901 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.594 8.919 -5.607 1.00 10.94 C HETATM 1175 ND HEC A 80 0.482 5.731 -0.184 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.386 7.003 -0.698 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.062 7.932 0.367 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.119 7.250 1.547 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.493 5.889 1.194 1.00 9.05 C HETATM 1180 CMD HEC A 80 -0.291 9.377 0.148 1.00 5.28 C HETATM 1181 CAD HEC A 80 -0.212 7.808 2.926 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.189 7.057 4.213 1.00 6.36 C HETATM 1183 CGD HEC A 80 -0.241 7.857 5.432 1.00 6.46 C HETATM 1184 O1D HEC A 80 -1.431 7.849 5.739 1.00 8.25 O HETATM 1185 O2D HEC A 80 0.623 8.481 6.043 1.00 15.15 O HETATM 0 HMD3 HEC A 80 0.540 9.884 -0.343 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -1.179 9.443 -0.481 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 -0.490 9.852 1.108 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 2.111 4.777 -6.839 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.347 4.908 -7.035 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.364 6.365 -7.132 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 1.661 -1.687 -1.922 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -0.119 -1.706 -1.921 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 0.773 -1.971 -3.438 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 1.395 -0.344 3.186 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.363 -0.083 3.277 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 0.360 -0.772 1.804 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 -0.277 6.072 4.230 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.267 6.900 4.232 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 0.242 8.375 -6.484 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.239 9.084 -4.923 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 1.005 9.880 -5.917 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -0.353 -1.567 -5.160 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.122 -0.115 -5.845 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 0.002 -1.078 -6.834 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -1.034 3.136 4.240 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.545 2.015 5.495 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.237 8.799 2.984 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -1.293 7.945 2.962 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.536 1.764 4.633 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.746 3.486 4.387 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.528 8.390 -2.310 1.00 10.53 H new HETATM 0 HHC HEC A 80 1.042 2.918 -5.581 1.00 6.02 H new HETATM 0 HHB HEC A 80 0.668 -0.339 -0.095 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.091 5.154 3.095 1.00 5.52 H new