USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=28 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 44 TYR OH : rot 180:sc= -0.0159 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 156:sc= 0.155 (180deg=0) USER MOD Set 1.3: A 57 MET CE :methyl 169:sc= -0.527 (180deg=-1.28) USER MOD Set 2.1: A 41 MET CE :methyl 176:sc= -2.83 (180deg=-1.91) USER MOD Set 2.2: A 76 MET CE :methyl 161:sc= -2.77 (180deg=-2.72!) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 149:sc= 0.908 (180deg=-0.436) USER MOD Set 3.2: A 49 TYR OH : rot -152:sc= 0.857 USER MOD Single : A 1 ALA N :NH3+ -156:sc= 1.17 (180deg=1.01) USER MOD Single : A 7 TYR OH : rot 175:sc= 1.25 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.038) USER MOD Single : A 9 SER OG : rot 85:sc= 0.795 USER MOD Single : A 19 SER OG : rot -79:sc= 1.14 USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 1.63 (180deg=0.0686) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 44:sc= 0.407 USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= 0.88 (180deg=0.201) USER MOD Single : A 32 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.6) USER MOD Single : A 38 TYR OH : rot 27:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0.542 (180deg=0.501) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= 0.003 (180deg=0.000553) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0124 (180deg=-0.166) USER MOD Single : A 48 SER OG : rot -95:sc= 1.18 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 59 ASN : amide:sc= 0.313 X(o=0.31,f=-0.05) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0.833 (180deg=0.806) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0474) USER MOD Single : A 65 SER OG : rot 104:sc= 1.08 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= 0.367 (180deg=0.173) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -50:sc= 1.26 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0.991 (180deg=0.858) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.932 -11.080 -9.386 1.00 0.00 N ATOM 2 CA ALA A 1 -0.277 -12.175 -8.651 1.00 0.00 C ATOM 3 C ALA A 1 0.134 -11.673 -7.270 1.00 0.00 C ATOM 4 O ALA A 1 0.220 -10.461 -7.094 1.00 0.00 O ATOM 5 CB ALA A 1 0.928 -12.727 -9.418 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.557 -11.477 -10.116 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.493 -10.505 -8.725 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.209 -10.483 -9.837 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.983 -12.998 -8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.386 -13.533 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.600 -13.110 -10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.657 -11.931 -9.571 1.00 0.00 H new ATOM 13 N ASP A 2 0.377 -12.591 -6.334 1.00 0.00 N ATOM 14 CA ASP A 2 0.679 -12.378 -4.921 1.00 0.00 C ATOM 15 C ASP A 2 1.607 -11.199 -4.591 1.00 0.00 C ATOM 16 O ASP A 2 2.803 -11.389 -4.389 1.00 0.00 O ATOM 17 CB ASP A 2 1.237 -13.685 -4.334 1.00 0.00 C ATOM 18 CG ASP A 2 0.247 -14.839 -4.452 1.00 0.00 C ATOM 19 OD1 ASP A 2 0.004 -15.249 -5.610 1.00 0.00 O ATOM 20 OD2 ASP A 2 -0.260 -15.274 -3.397 1.00 0.00 O ATOM 0 H ASP A 2 0.366 -13.584 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.267 -12.094 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.161 -13.947 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.490 -13.531 -3.285 1.00 0.00 H new ATOM 25 N GLY A 3 1.045 -9.991 -4.486 1.00 0.00 N ATOM 26 CA GLY A 3 1.700 -8.775 -4.026 1.00 0.00 C ATOM 27 C GLY A 3 2.729 -8.205 -4.998 1.00 0.00 C ATOM 28 O GLY A 3 2.566 -7.105 -5.524 1.00 0.00 O ATOM 0 H GLY A 3 0.068 -9.833 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.940 -8.017 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.191 -8.979 -3.075 1.00 0.00 H new ATOM 32 N ALA A 4 3.791 -8.969 -5.231 1.00 0.00 N ATOM 33 CA ALA A 4 4.947 -8.588 -6.036 1.00 0.00 C ATOM 34 C ALA A 4 4.547 -7.878 -7.331 1.00 0.00 C ATOM 35 O ALA A 4 5.040 -6.794 -7.633 1.00 0.00 O ATOM 36 CB ALA A 4 5.795 -9.829 -6.327 1.00 0.00 C ATOM 0 H ALA A 4 3.874 -9.911 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 4 5.536 -7.871 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.659 -9.546 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.134 -10.267 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.197 -10.559 -6.872 1.00 0.00 H new ATOM 42 N ALA A 5 3.637 -8.495 -8.088 1.00 0.00 N ATOM 43 CA ALA A 5 3.168 -7.957 -9.355 1.00 0.00 C ATOM 44 C ALA A 5 2.523 -6.579 -9.196 1.00 0.00 C ATOM 45 O ALA A 5 2.725 -5.710 -10.039 1.00 0.00 O ATOM 46 CB ALA A 5 2.185 -8.938 -9.991 1.00 0.00 C ATOM 0 H ALA A 5 3.207 -9.384 -7.834 1.00 0.00 H new ATOM 0 HA ALA A 5 4.033 -7.827 -10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.833 -8.536 -10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.683 -9.892 -10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.337 -9.087 -9.323 1.00 0.00 H new ATOM 52 N LEU A 6 1.725 -6.376 -8.144 1.00 0.00 N ATOM 53 CA LEU A 6 1.040 -5.141 -7.896 1.00 0.00 C ATOM 54 C LEU A 6 2.050 -4.061 -7.512 1.00 0.00 C ATOM 55 O LEU A 6 2.044 -2.963 -8.075 1.00 0.00 O ATOM 56 CB LEU A 6 0.067 -5.403 -6.746 1.00 0.00 C ATOM 57 CG LEU A 6 -1.042 -6.414 -7.090 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.876 -7.675 -6.240 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.437 -5.839 -6.828 1.00 0.00 C ATOM 0 H LEU A 6 1.545 -7.090 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 6 0.505 -4.794 -8.780 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.626 -5.770 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.393 -4.460 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.950 -6.646 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.663 -8.387 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.096 -8.125 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.942 -7.413 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.191 -6.583 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.530 -5.575 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.584 -4.949 -7.439 1.00 0.00 H new ATOM 71 N TYR A 7 2.917 -4.405 -6.551 1.00 0.00 N ATOM 72 CA TYR A 7 3.886 -3.496 -5.955 1.00 0.00 C ATOM 73 C TYR A 7 4.659 -2.654 -6.968 1.00 0.00 C ATOM 74 O TYR A 7 4.888 -1.471 -6.722 1.00 0.00 O ATOM 75 CB TYR A 7 4.832 -4.219 -4.986 1.00 0.00 C ATOM 76 CG TYR A 7 5.623 -3.263 -4.104 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.947 -2.279 -3.359 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.030 -3.291 -4.087 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.661 -1.329 -2.613 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.746 -2.371 -3.297 1.00 0.00 C ATOM 81 CZ TYR A 7 7.059 -1.390 -2.559 1.00 0.00 C ATOM 82 OH TYR A 7 7.735 -0.493 -1.789 1.00 0.00 O ATOM 0 H TYR A 7 2.960 -5.347 -6.162 1.00 0.00 H new ATOM 0 HA TYR A 7 3.290 -2.787 -5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.252 -4.892 -4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.526 -4.836 -5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.867 -2.255 -3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.562 -4.020 -4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.133 -0.552 -2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.824 -2.419 -3.258 1.00 0.00 H new ATOM 0 HH TYR A 7 8.690 -0.714 -1.792 1.00 0.00 H new ATOM 92 N LYS A 8 5.034 -3.241 -8.108 1.00 0.00 N ATOM 93 CA LYS A 8 5.722 -2.591 -9.196 1.00 0.00 C ATOM 94 C LYS A 8 5.115 -1.221 -9.520 1.00 0.00 C ATOM 95 O LYS A 8 5.836 -0.278 -9.834 1.00 0.00 O ATOM 96 CB LYS A 8 5.601 -3.555 -10.373 1.00 0.00 C ATOM 97 CG LYS A 8 6.467 -4.809 -10.194 1.00 0.00 C ATOM 98 CD LYS A 8 6.225 -5.778 -11.358 1.00 0.00 C ATOM 99 CE LYS A 8 6.957 -7.109 -11.147 1.00 0.00 C ATOM 100 NZ LYS A 8 8.420 -6.934 -11.106 1.00 0.00 N ATOM 0 H LYS A 8 4.852 -4.227 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 8 6.763 -2.385 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.559 -3.851 -10.491 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.893 -3.043 -11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.520 -4.532 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.228 -5.295 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.156 -5.963 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.561 -5.321 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.620 -7.564 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.697 -7.797 -11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.879 -7.864 -11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.738 -6.461 -11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.677 -6.353 -10.283 1.00 0.00 H new ATOM 114 N SER A 9 3.789 -1.106 -9.430 1.00 0.00 N ATOM 115 CA SER A 9 3.081 0.139 -9.674 1.00 0.00 C ATOM 116 C SER A 9 3.357 1.137 -8.541 1.00 0.00 C ATOM 117 O SER A 9 3.732 2.287 -8.762 1.00 0.00 O ATOM 118 CB SER A 9 1.575 -0.160 -9.767 1.00 0.00 C ATOM 119 OG SER A 9 1.333 -1.441 -10.323 1.00 0.00 O ATOM 0 H SER A 9 3.177 -1.884 -9.183 1.00 0.00 H new ATOM 0 HA SER A 9 3.426 0.582 -10.608 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.130 -0.103 -8.774 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.089 0.601 -10.378 1.00 0.00 H new ATOM 0 HG SER A 9 1.381 -2.119 -9.617 1.00 0.00 H new ATOM 125 N CYS A 10 3.166 0.659 -7.311 1.00 0.00 N ATOM 126 CA CYS A 10 3.253 1.395 -6.059 1.00 0.00 C ATOM 127 C CYS A 10 4.623 2.037 -5.914 1.00 0.00 C ATOM 128 O CYS A 10 4.750 3.168 -5.436 1.00 0.00 O ATOM 129 CB CYS A 10 2.963 0.458 -4.889 1.00 0.00 C ATOM 130 SG CYS A 10 1.621 -0.728 -5.152 1.00 0.00 S ATOM 0 H CYS A 10 2.930 -0.321 -7.158 1.00 0.00 H new ATOM 0 HA CYS A 10 2.509 2.191 -6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.873 -0.095 -4.656 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.724 1.062 -4.014 1.00 0.00 H new ATOM 135 N ILE A 11 5.648 1.299 -6.353 1.00 0.00 N ATOM 136 CA ILE A 11 7.027 1.753 -6.356 1.00 0.00 C ATOM 137 C ILE A 11 7.140 3.163 -6.937 1.00 0.00 C ATOM 138 O ILE A 11 7.969 3.936 -6.461 1.00 0.00 O ATOM 139 CB ILE A 11 7.927 0.745 -7.096 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.118 -0.497 -6.207 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.289 1.339 -7.500 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.018 -1.572 -6.823 1.00 0.00 C ATOM 0 H ILE A 11 5.532 0.355 -6.721 1.00 0.00 H new ATOM 0 HA ILE A 11 7.377 1.807 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 11 7.430 0.472 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.542 -0.186 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.142 -0.933 -5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.877 0.581 -8.017 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.133 2.191 -8.162 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.822 1.666 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.102 -2.414 -6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.585 -1.914 -7.763 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.008 -1.155 -7.009 1.00 0.00 H new ATOM 154 N GLY A 12 6.307 3.507 -7.929 1.00 0.00 N ATOM 155 CA GLY A 12 6.291 4.830 -8.535 1.00 0.00 C ATOM 156 C GLY A 12 6.287 5.951 -7.490 1.00 0.00 C ATOM 157 O GLY A 12 6.917 6.985 -7.699 1.00 0.00 O ATOM 0 H GLY A 12 5.624 2.865 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.162 4.942 -9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.410 4.925 -9.170 1.00 0.00 H new ATOM 161 N CYS A 13 5.586 5.748 -6.368 1.00 0.00 N ATOM 162 CA CYS A 13 5.509 6.713 -5.282 1.00 0.00 C ATOM 163 C CYS A 13 6.364 6.268 -4.099 1.00 0.00 C ATOM 164 O CYS A 13 6.971 7.103 -3.439 1.00 0.00 O ATOM 165 CB CYS A 13 4.059 6.841 -4.818 1.00 0.00 C ATOM 166 SG CYS A 13 3.075 8.117 -5.655 1.00 0.00 S ATOM 0 H CYS A 13 5.052 4.896 -6.194 1.00 0.00 H new ATOM 0 HA CYS A 13 5.878 7.671 -5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.566 5.879 -4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.056 7.049 -3.748 1.00 0.00 H new ATOM 171 N HIS A 14 6.384 4.965 -3.808 1.00 0.00 N ATOM 172 CA HIS A 14 7.030 4.399 -2.634 1.00 0.00 C ATOM 173 C HIS A 14 8.549 4.229 -2.721 1.00 0.00 C ATOM 174 O HIS A 14 9.227 4.140 -1.698 1.00 0.00 O ATOM 175 CB HIS A 14 6.308 3.090 -2.341 1.00 0.00 C ATOM 176 CG HIS A 14 5.002 3.353 -1.633 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.964 3.901 -0.362 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.691 3.333 -2.052 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.681 4.179 -0.084 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.842 3.798 -1.048 1.00 0.00 N ATOM 0 H HIS A 14 5.940 4.263 -4.399 1.00 0.00 H new ATOM 0 HA HIS A 14 6.939 5.110 -1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.122 2.554 -3.272 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.940 2.450 -1.725 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.764 4.063 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.364 3.002 -3.027 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.361 4.662 0.827 1.00 0.00 H new ATOM 188 N GLY A 15 9.088 4.176 -3.933 1.00 0.00 N ATOM 189 CA GLY A 15 10.519 4.135 -4.192 1.00 0.00 C ATOM 190 C GLY A 15 11.210 2.861 -3.721 1.00 0.00 C ATOM 191 O GLY A 15 12.274 2.936 -3.111 1.00 0.00 O ATOM 0 H GLY A 15 8.526 4.160 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.685 4.249 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.988 4.989 -3.704 1.00 0.00 H new ATOM 195 N ALA A 16 10.625 1.698 -4.027 1.00 0.00 N ATOM 196 CA ALA A 16 11.162 0.376 -3.714 1.00 0.00 C ATOM 197 C ALA A 16 11.241 0.123 -2.209 1.00 0.00 C ATOM 198 O ALA A 16 10.444 -0.644 -1.675 1.00 0.00 O ATOM 199 CB ALA A 16 12.504 0.136 -4.420 1.00 0.00 C ATOM 0 H ALA A 16 9.732 1.654 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 16 10.459 -0.359 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.876 -0.856 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.365 0.207 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.225 0.887 -4.097 1.00 0.00 H new ATOM 205 N ASP A 17 12.145 0.799 -1.502 1.00 0.00 N ATOM 206 CA ASP A 17 12.359 0.632 -0.069 1.00 0.00 C ATOM 207 C ASP A 17 11.326 1.398 0.767 1.00 0.00 C ATOM 208 O ASP A 17 11.660 1.858 1.854 1.00 0.00 O ATOM 209 CB ASP A 17 13.791 1.063 0.285 1.00 0.00 C ATOM 210 CG ASP A 17 14.836 0.267 -0.489 1.00 0.00 C ATOM 211 OD1 ASP A 17 15.244 -0.795 0.028 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.201 0.732 -1.591 1.00 0.00 O ATOM 0 H ASP A 17 12.763 1.494 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 17 12.227 -0.422 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.913 2.125 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.955 0.932 1.355 1.00 0.00 H new ATOM 217 N GLY A 18 10.098 1.556 0.257 1.00 0.00 N ATOM 218 CA GLY A 18 8.949 2.201 0.885 1.00 0.00 C ATOM 219 C GLY A 18 9.264 3.316 1.885 1.00 0.00 C ATOM 220 O GLY A 18 8.671 3.339 2.963 1.00 0.00 O ATOM 0 H GLY A 18 9.870 1.209 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.316 2.614 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.364 1.437 1.397 1.00 0.00 H new ATOM 224 N SER A 19 10.152 4.249 1.531 1.00 0.00 N ATOM 225 CA SER A 19 10.607 5.293 2.446 1.00 0.00 C ATOM 226 C SER A 19 10.671 6.692 1.834 1.00 0.00 C ATOM 227 O SER A 19 10.718 7.661 2.590 1.00 0.00 O ATOM 228 CB SER A 19 11.968 4.886 3.021 1.00 0.00 C ATOM 229 OG SER A 19 12.800 4.365 2.003 1.00 0.00 O ATOM 0 H SER A 19 10.573 4.300 0.604 1.00 0.00 H new ATOM 0 HA SER A 19 9.859 5.371 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.447 5.749 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.830 4.140 3.804 1.00 0.00 H new ATOM 0 HG SER A 19 12.547 3.437 1.817 1.00 0.00 H new ATOM 235 N LYS A 20 10.695 6.835 0.504 1.00 0.00 N ATOM 236 CA LYS A 20 10.736 8.173 -0.074 1.00 0.00 C ATOM 237 C LYS A 20 9.443 8.921 0.262 1.00 0.00 C ATOM 238 O LYS A 20 8.389 8.304 0.421 1.00 0.00 O ATOM 239 CB LYS A 20 10.998 8.136 -1.589 1.00 0.00 C ATOM 240 CG LYS A 20 9.860 7.511 -2.395 1.00 0.00 C ATOM 241 CD LYS A 20 10.077 7.654 -3.910 1.00 0.00 C ATOM 242 CE LYS A 20 9.802 9.066 -4.447 1.00 0.00 C ATOM 243 NZ LYS A 20 8.440 9.527 -4.122 1.00 0.00 N ATOM 0 H LYS A 20 10.687 6.068 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 20 11.574 8.714 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.167 9.152 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.914 7.576 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.773 6.455 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.918 7.984 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.105 7.379 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.430 6.946 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.529 9.761 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.939 9.075 -5.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.056 10.068 -4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.831 8.705 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.471 10.134 -3.278 1.00 0.00 H new ATOM 257 N ALA A 21 9.514 10.249 0.369 1.00 0.00 N ATOM 258 CA ALA A 21 8.325 11.050 0.603 1.00 0.00 C ATOM 259 C ALA A 21 7.392 10.863 -0.595 1.00 0.00 C ATOM 260 O ALA A 21 7.825 11.024 -1.736 1.00 0.00 O ATOM 261 CB ALA A 21 8.708 12.521 0.781 1.00 0.00 C ATOM 0 H ALA A 21 10.379 10.784 0.297 1.00 0.00 H new ATOM 0 HA ALA A 21 7.819 10.733 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.809 13.112 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.380 12.621 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.208 12.878 -0.119 1.00 0.00 H new ATOM 267 N ALA A 22 6.142 10.473 -0.341 1.00 0.00 N ATOM 268 CA ALA A 22 5.141 10.296 -1.380 1.00 0.00 C ATOM 269 C ALA A 22 4.462 11.654 -1.571 1.00 0.00 C ATOM 270 O ALA A 22 5.145 12.672 -1.683 1.00 0.00 O ATOM 271 CB ALA A 22 4.191 9.165 -0.967 1.00 0.00 C ATOM 0 H ALA A 22 5.799 10.271 0.598 1.00 0.00 H new ATOM 0 HA ALA A 22 5.559 9.992 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.436 9.024 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.757 8.242 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.704 9.424 -0.027 1.00 0.00 H new ATOM 277 N MET A 23 3.128 11.699 -1.583 1.00 0.00 N ATOM 278 CA MET A 23 2.391 12.954 -1.644 1.00 0.00 C ATOM 279 C MET A 23 2.473 13.637 -0.270 1.00 0.00 C ATOM 280 O MET A 23 1.485 13.722 0.456 1.00 0.00 O ATOM 281 CB MET A 23 0.944 12.679 -2.078 1.00 0.00 C ATOM 282 CG MET A 23 0.859 12.301 -3.561 1.00 0.00 C ATOM 283 SD MET A 23 1.217 13.659 -4.708 1.00 0.00 S ATOM 284 CE MET A 23 1.110 12.788 -6.286 1.00 0.00 C ATOM 0 H MET A 23 2.535 10.870 -1.551 1.00 0.00 H new ATOM 0 HA MET A 23 2.824 13.628 -2.383 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.529 11.873 -1.473 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.334 13.563 -1.892 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.556 11.486 -3.755 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.141 11.921 -3.769 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.306 13.485 -7.101 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.848 11.986 -6.310 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.112 12.366 -6.402 1.00 0.00 H new ATOM 294 N GLY A 24 3.663 14.120 0.089 1.00 0.00 N ATOM 295 CA GLY A 24 3.939 14.747 1.370 1.00 0.00 C ATOM 296 C GLY A 24 4.364 13.700 2.400 1.00 0.00 C ATOM 297 O GLY A 24 4.778 12.593 2.050 1.00 0.00 O ATOM 0 H GLY A 24 4.478 14.082 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.726 15.492 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.052 15.273 1.723 1.00 0.00 H new ATOM 301 N SER A 25 4.269 14.056 3.683 1.00 0.00 N ATOM 302 CA SER A 25 4.627 13.199 4.799 1.00 0.00 C ATOM 303 C SER A 25 3.671 12.011 4.856 1.00 0.00 C ATOM 304 O SER A 25 2.488 12.198 5.149 1.00 0.00 O ATOM 305 CB SER A 25 4.526 14.035 6.075 1.00 0.00 C ATOM 306 OG SER A 25 3.321 14.778 6.030 1.00 0.00 O ATOM 0 H SER A 25 3.932 14.973 3.975 1.00 0.00 H new ATOM 0 HA SER A 25 5.640 12.812 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.541 13.389 6.953 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.382 14.705 6.158 1.00 0.00 H new ATOM 0 HG SER A 25 2.592 14.201 5.719 1.00 0.00 H new ATOM 312 N ALA A 26 4.178 10.812 4.577 1.00 0.00 N ATOM 313 CA ALA A 26 3.420 9.573 4.562 1.00 0.00 C ATOM 314 C ALA A 26 4.143 8.549 5.432 1.00 0.00 C ATOM 315 O ALA A 26 5.351 8.385 5.274 1.00 0.00 O ATOM 316 CB ALA A 26 3.337 9.080 3.115 1.00 0.00 C ATOM 0 H ALA A 26 5.163 10.677 4.348 1.00 0.00 H new ATOM 0 HA ALA A 26 2.413 9.723 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.771 8.149 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.838 9.831 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.343 8.908 2.731 1.00 0.00 H new ATOM 322 N LYS A 27 3.428 7.891 6.354 1.00 0.00 N ATOM 323 CA LYS A 27 3.927 6.839 7.215 1.00 0.00 C ATOM 324 C LYS A 27 4.747 5.842 6.380 1.00 0.00 C ATOM 325 O LYS A 27 4.153 5.134 5.566 1.00 0.00 O ATOM 326 CB LYS A 27 2.705 6.173 7.881 1.00 0.00 C ATOM 327 CG LYS A 27 2.983 5.977 9.362 1.00 0.00 C ATOM 328 CD LYS A 27 2.012 5.011 10.058 1.00 0.00 C ATOM 329 CE LYS A 27 0.603 5.579 10.303 1.00 0.00 C ATOM 330 NZ LYS A 27 -0.228 5.615 9.086 1.00 0.00 N ATOM 0 H LYS A 27 2.442 8.096 6.518 1.00 0.00 H new ATOM 0 HA LYS A 27 4.589 7.227 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.819 6.794 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.497 5.213 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.000 5.604 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.936 6.945 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.925 4.108 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.440 4.714 11.015 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.102 4.976 11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.690 6.588 10.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.227 5.488 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.107 6.532 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.064 4.851 8.444 1.00 0.00 H new ATOM 344 N PRO A 28 6.081 5.779 6.537 1.00 0.00 N ATOM 345 CA PRO A 28 6.938 4.934 5.721 1.00 0.00 C ATOM 346 C PRO A 28 6.516 3.465 5.661 1.00 0.00 C ATOM 347 O PRO A 28 6.603 2.748 6.653 1.00 0.00 O ATOM 348 CB PRO A 28 8.347 5.087 6.304 1.00 0.00 C ATOM 349 CG PRO A 28 8.321 6.502 6.874 1.00 0.00 C ATOM 350 CD PRO A 28 6.894 6.615 7.411 1.00 0.00 C ATOM 0 HA PRO A 28 6.876 5.256 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.549 4.343 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.116 4.972 5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.063 6.636 7.661 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.528 7.251 6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.836 6.275 8.445 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.550 7.649 7.396 1.00 0.00 H new ATOM 358 N VAL A 29 6.104 3.016 4.470 1.00 0.00 N ATOM 359 CA VAL A 29 5.757 1.633 4.164 1.00 0.00 C ATOM 360 C VAL A 29 6.808 0.678 4.723 1.00 0.00 C ATOM 361 O VAL A 29 6.450 -0.377 5.247 1.00 0.00 O ATOM 362 CB VAL A 29 5.642 1.494 2.637 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.949 0.089 2.108 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.219 1.863 2.211 1.00 0.00 C ATOM 0 H VAL A 29 6.001 3.634 3.665 1.00 0.00 H new ATOM 0 HA VAL A 29 4.806 1.374 4.629 1.00 0.00 H new ATOM 0 HB VAL A 29 6.391 2.164 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.845 0.078 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.969 -0.187 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.252 -0.625 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.127 1.768 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.509 1.193 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.007 2.891 2.504 1.00 0.00 H new ATOM 374 N LYS A 30 8.079 1.054 4.540 1.00 0.00 N ATOM 375 CA LYS A 30 9.291 0.382 4.984 1.00 0.00 C ATOM 376 C LYS A 30 9.051 -0.405 6.279 1.00 0.00 C ATOM 377 O LYS A 30 9.230 0.110 7.381 1.00 0.00 O ATOM 378 CB LYS A 30 10.364 1.471 5.144 1.00 0.00 C ATOM 379 CG LYS A 30 11.713 1.009 5.718 1.00 0.00 C ATOM 380 CD LYS A 30 12.439 0.052 4.765 1.00 0.00 C ATOM 381 CE LYS A 30 13.743 -0.476 5.371 1.00 0.00 C ATOM 382 NZ LYS A 30 13.482 -1.407 6.483 1.00 0.00 N ATOM 0 H LYS A 30 8.297 1.912 4.033 1.00 0.00 H new ATOM 0 HA LYS A 30 9.620 -0.361 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.543 1.923 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.966 2.253 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.343 1.878 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.550 0.515 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.785 -0.786 4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.656 0.567 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.325 -0.981 4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.344 0.360 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.317 -2.007 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.280 -0.866 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.664 -2.005 6.250 1.00 0.00 H new ATOM 396 N GLY A 31 8.619 -1.656 6.123 1.00 0.00 N ATOM 397 CA GLY A 31 8.342 -2.577 7.202 1.00 0.00 C ATOM 398 C GLY A 31 7.524 -2.014 8.369 1.00 0.00 C ATOM 399 O GLY A 31 7.940 -2.175 9.513 1.00 0.00 O ATOM 0 H GLY A 31 8.449 -2.062 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.811 -3.437 6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.291 -2.945 7.593 1.00 0.00 H new ATOM 403 N GLN A 32 6.351 -1.407 8.113 1.00 0.00 N ATOM 404 CA GLN A 32 5.469 -0.962 9.217 1.00 0.00 C ATOM 405 C GLN A 32 5.225 -2.164 10.146 1.00 0.00 C ATOM 406 O GLN A 32 5.366 -2.121 11.365 1.00 0.00 O ATOM 407 CB GLN A 32 4.085 -0.420 8.773 1.00 0.00 C ATOM 408 CG GLN A 32 3.967 0.454 7.516 1.00 0.00 C ATOM 409 CD GLN A 32 3.941 1.972 7.719 1.00 0.00 C ATOM 410 OE1 GLN A 32 4.247 2.500 8.784 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.525 2.666 6.659 1.00 0.00 N ATOM 0 H GLN A 32 5.994 -1.215 7.177 1.00 0.00 H new ATOM 0 HA GLN A 32 5.985 -0.133 9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.431 -1.280 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.680 0.155 9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.803 0.215 6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.056 0.168 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.282 2.181 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.450 3.682 6.712 1.00 0.00 H new ATOM 420 N GLY A 33 4.832 -3.238 9.472 1.00 0.00 N ATOM 421 CA GLY A 33 4.527 -4.588 9.910 1.00 0.00 C ATOM 422 C GLY A 33 3.488 -5.122 8.945 1.00 0.00 C ATOM 423 O GLY A 33 2.742 -4.344 8.358 1.00 0.00 O ATOM 0 H GLY A 33 4.703 -3.166 8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.421 -5.211 9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.146 -4.589 10.931 1.00 0.00 H new ATOM 427 N ALA A 34 3.429 -6.435 8.763 1.00 0.00 N ATOM 428 CA ALA A 34 2.463 -7.036 7.860 1.00 0.00 C ATOM 429 C ALA A 34 1.039 -6.725 8.305 1.00 0.00 C ATOM 430 O ALA A 34 0.194 -6.395 7.479 1.00 0.00 O ATOM 431 CB ALA A 34 2.718 -8.534 7.801 1.00 0.00 C ATOM 0 H ALA A 34 4.041 -7.103 9.231 1.00 0.00 H new ATOM 0 HA ALA A 34 2.579 -6.617 6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.999 -8.999 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.729 -8.717 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.609 -8.961 8.798 1.00 0.00 H new ATOM 437 N GLU A 35 0.789 -6.815 9.613 1.00 0.00 N ATOM 438 CA GLU A 35 -0.503 -6.513 10.199 1.00 0.00 C ATOM 439 C GLU A 35 -0.883 -5.062 9.901 1.00 0.00 C ATOM 440 O GLU A 35 -1.949 -4.801 9.351 1.00 0.00 O ATOM 441 CB GLU A 35 -0.500 -6.814 11.708 1.00 0.00 C ATOM 442 CG GLU A 35 0.808 -6.517 12.460 1.00 0.00 C ATOM 443 CD GLU A 35 0.595 -6.614 13.967 1.00 0.00 C ATOM 444 OE1 GLU A 35 0.185 -5.585 14.547 1.00 0.00 O ATOM 445 OE2 GLU A 35 0.837 -7.716 14.506 1.00 0.00 O ATOM 0 H GLU A 35 1.490 -7.103 10.296 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.261 -7.154 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.300 -6.238 12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.743 -7.867 11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.580 -7.222 12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.164 -5.520 12.201 1.00 0.00 H new ATOM 452 N GLU A 36 -0.005 -4.125 10.265 1.00 0.00 N ATOM 453 CA GLU A 36 -0.150 -2.711 10.063 1.00 0.00 C ATOM 454 C GLU A 36 -0.460 -2.432 8.602 1.00 0.00 C ATOM 455 O GLU A 36 -1.472 -1.814 8.280 1.00 0.00 O ATOM 456 CB GLU A 36 1.201 -2.115 10.451 1.00 0.00 C ATOM 457 CG GLU A 36 1.406 -2.000 11.959 1.00 0.00 C ATOM 458 CD GLU A 36 0.430 -0.999 12.574 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.646 0.212 12.352 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.541 -1.463 13.212 1.00 0.00 O ATOM 0 H GLU A 36 0.869 -4.362 10.733 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.962 -2.284 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.995 -2.732 10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.295 -1.126 10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.270 -2.977 12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.430 -1.689 12.167 1.00 0.00 H new ATOM 467 N LEU A 37 0.431 -2.901 7.729 1.00 0.00 N ATOM 468 CA LEU A 37 0.271 -2.747 6.300 1.00 0.00 C ATOM 469 C LEU A 37 -1.118 -3.268 5.918 1.00 0.00 C ATOM 470 O LEU A 37 -1.960 -2.477 5.496 1.00 0.00 O ATOM 471 CB LEU A 37 1.419 -3.463 5.567 1.00 0.00 C ATOM 472 CG LEU A 37 2.761 -2.711 5.656 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.915 -3.670 5.359 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.824 -1.563 4.646 1.00 0.00 C ATOM 0 H LEU A 37 1.280 -3.396 8.001 1.00 0.00 H new ATOM 0 HA LEU A 37 0.328 -1.701 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.542 -4.462 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.149 -3.588 4.518 1.00 0.00 H new ATOM 0 HG LEU A 37 2.844 -2.307 6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.861 -3.132 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.909 -4.482 6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.798 -4.080 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.783 -1.053 4.734 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.716 -1.960 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.018 -0.857 4.847 1.00 0.00 H new ATOM 486 N TYR A 38 -1.369 -4.574 6.079 1.00 0.00 N ATOM 487 CA TYR A 38 -2.635 -5.211 5.745 1.00 0.00 C ATOM 488 C TYR A 38 -3.834 -4.386 6.188 1.00 0.00 C ATOM 489 O TYR A 38 -4.731 -4.151 5.388 1.00 0.00 O ATOM 490 CB TYR A 38 -2.735 -6.647 6.272 1.00 0.00 C ATOM 491 CG TYR A 38 -4.043 -7.313 5.873 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.361 -7.473 4.509 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.027 -7.573 6.847 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.643 -7.905 4.123 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.304 -8.016 6.460 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.612 -8.186 5.100 1.00 0.00 C ATOM 497 OH TYR A 38 -7.852 -8.628 4.744 1.00 0.00 O ATOM 0 H TYR A 38 -0.678 -5.225 6.453 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.655 -5.265 4.657 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.899 -7.232 5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.648 -6.641 7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.616 -7.263 3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.800 -7.432 7.893 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.882 -8.020 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.051 -8.226 7.211 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.798 -9.096 3.885 1.00 0.00 H new ATOM 507 N LYS A 39 -3.853 -3.945 7.443 1.00 0.00 N ATOM 508 CA LYS A 39 -4.934 -3.121 7.960 1.00 0.00 C ATOM 509 C LYS A 39 -5.159 -1.899 7.070 1.00 0.00 C ATOM 510 O LYS A 39 -6.296 -1.606 6.707 1.00 0.00 O ATOM 511 CB LYS A 39 -4.629 -2.688 9.401 1.00 0.00 C ATOM 512 CG LYS A 39 -4.786 -3.833 10.411 1.00 0.00 C ATOM 513 CD LYS A 39 -3.965 -3.584 11.687 1.00 0.00 C ATOM 514 CE LYS A 39 -4.320 -2.268 12.389 1.00 0.00 C ATOM 515 NZ LYS A 39 -3.476 -2.057 13.580 1.00 0.00 N ATOM 0 H LYS A 39 -3.122 -4.149 8.125 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.849 -3.714 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.611 -2.302 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.294 -1.871 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.838 -3.946 10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.469 -4.769 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.122 -4.411 12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.905 -3.578 11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.191 -1.436 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.370 -2.280 12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.835 -1.244 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.500 -2.908 14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.497 -1.871 13.283 1.00 0.00 H new ATOM 529 N LYS A 40 -4.097 -1.180 6.706 1.00 0.00 N ATOM 530 CA LYS A 40 -4.213 -0.009 5.879 1.00 0.00 C ATOM 531 C LYS A 40 -4.564 -0.360 4.427 1.00 0.00 C ATOM 532 O LYS A 40 -5.478 0.267 3.897 1.00 0.00 O ATOM 533 CB LYS A 40 -2.940 0.817 6.018 1.00 0.00 C ATOM 534 CG LYS A 40 -2.953 1.739 7.252 1.00 0.00 C ATOM 535 CD LYS A 40 -2.479 1.032 8.525 1.00 0.00 C ATOM 536 CE LYS A 40 -2.401 2.011 9.700 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.876 1.350 10.907 1.00 0.00 N ATOM 0 H LYS A 40 -3.141 -1.403 6.982 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.050 0.601 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.083 0.146 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.806 1.421 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.315 2.602 7.062 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.963 2.118 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.162 0.219 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.500 0.585 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.761 2.852 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.392 2.417 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.052 1.952 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.352 0.434 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.853 1.196 10.801 1.00 0.00 H new ATOM 551 N MET A 41 -3.901 -1.324 3.760 1.00 0.00 N ATOM 552 CA MET A 41 -4.329 -1.660 2.392 1.00 0.00 C ATOM 553 C MET A 41 -5.776 -2.169 2.401 1.00 0.00 C ATOM 554 O MET A 41 -6.519 -1.889 1.462 1.00 0.00 O ATOM 555 CB MET A 41 -3.371 -2.563 1.575 1.00 0.00 C ATOM 556 CG MET A 41 -2.695 -3.745 2.285 1.00 0.00 C ATOM 557 SD MET A 41 -1.037 -3.359 2.867 1.00 0.00 S ATOM 558 CE MET A 41 -0.109 -3.271 1.338 1.00 0.00 C ATOM 0 H MET A 41 -3.110 -1.857 4.122 1.00 0.00 H new ATOM 0 HA MET A 41 -4.282 -0.724 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.931 -2.961 0.729 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.585 -1.928 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.309 -4.053 3.131 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.646 -4.593 1.602 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.916 -2.969 1.552 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.107 -4.249 0.857 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.571 -2.541 0.673 1.00 0.00 H new ATOM 568 N LYS A 42 -6.202 -2.872 3.457 1.00 0.00 N ATOM 569 CA LYS A 42 -7.579 -3.317 3.590 1.00 0.00 C ATOM 570 C LYS A 42 -8.469 -2.084 3.750 1.00 0.00 C ATOM 571 O LYS A 42 -9.477 -1.975 3.064 1.00 0.00 O ATOM 572 CB LYS A 42 -7.703 -4.322 4.748 1.00 0.00 C ATOM 573 CG LYS A 42 -9.054 -5.050 4.816 1.00 0.00 C ATOM 574 CD LYS A 42 -10.125 -4.271 5.597 1.00 0.00 C ATOM 575 CE LYS A 42 -11.454 -5.036 5.647 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.332 -6.321 6.358 1.00 0.00 N ATOM 0 H LYS A 42 -5.600 -3.143 4.235 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.910 -3.851 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.909 -5.063 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.540 -3.796 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.413 -5.231 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.911 -6.025 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.773 -4.085 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.281 -3.298 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.207 -4.421 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.805 -5.217 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.280 -6.705 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.796 -6.992 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.834 -6.173 7.259 1.00 0.00 H new ATOM 590 N GLY A 43 -8.103 -1.150 4.634 1.00 0.00 N ATOM 591 CA GLY A 43 -8.822 0.097 4.857 1.00 0.00 C ATOM 592 C GLY A 43 -9.036 0.851 3.544 1.00 0.00 C ATOM 593 O GLY A 43 -10.163 1.224 3.209 1.00 0.00 O ATOM 0 H GLY A 43 -7.278 -1.248 5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.786 -0.113 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.263 0.723 5.553 1.00 0.00 H new ATOM 597 N TYR A 44 -7.943 1.051 2.801 1.00 0.00 N ATOM 598 CA TYR A 44 -7.946 1.701 1.502 1.00 0.00 C ATOM 599 C TYR A 44 -8.864 0.926 0.544 1.00 0.00 C ATOM 600 O TYR A 44 -9.800 1.498 -0.005 1.00 0.00 O ATOM 601 CB TYR A 44 -6.506 1.806 0.959 1.00 0.00 C ATOM 602 CG TYR A 44 -5.505 2.703 1.677 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.885 3.966 2.168 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.133 2.374 1.643 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.940 4.797 2.796 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.179 3.238 2.210 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.592 4.409 2.856 1.00 0.00 C ATOM 608 OH TYR A 44 -2.667 5.222 3.446 1.00 0.00 O ATOM 0 H TYR A 44 -7.014 0.756 3.100 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.334 2.715 1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.089 0.799 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.569 2.146 -0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.907 4.299 2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.814 1.453 1.179 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.252 5.734 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.128 2.998 2.147 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.784 4.799 3.401 1.00 0.00 H new ATOM 618 N ALA A 45 -8.633 -0.378 0.354 1.00 0.00 N ATOM 619 CA ALA A 45 -9.433 -1.209 -0.547 1.00 0.00 C ATOM 620 C ALA A 45 -10.920 -1.174 -0.189 1.00 0.00 C ATOM 621 O ALA A 45 -11.775 -1.136 -1.067 1.00 0.00 O ATOM 622 CB ALA A 45 -8.905 -2.644 -0.539 1.00 0.00 C ATOM 0 H ALA A 45 -7.883 -0.886 0.823 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.339 -0.800 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.505 -3.256 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.867 -2.652 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.966 -3.049 0.471 1.00 0.00 H new ATOM 628 N ASP A 46 -11.231 -1.204 1.105 1.00 0.00 N ATOM 629 CA ASP A 46 -12.587 -1.127 1.623 1.00 0.00 C ATOM 630 C ASP A 46 -13.170 0.259 1.337 1.00 0.00 C ATOM 631 O ASP A 46 -14.345 0.382 1.003 1.00 0.00 O ATOM 632 CB ASP A 46 -12.553 -1.426 3.125 1.00 0.00 C ATOM 633 CG ASP A 46 -13.881 -1.117 3.800 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.816 -1.929 3.629 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.922 -0.075 4.489 1.00 0.00 O ATOM 0 H ASP A 46 -10.526 -1.285 1.838 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.228 -1.861 1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.304 -2.476 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.763 -0.839 3.593 1.00 0.00 H new ATOM 640 N GLY A 47 -12.343 1.296 1.472 1.00 0.00 N ATOM 641 CA GLY A 47 -12.720 2.681 1.250 1.00 0.00 C ATOM 642 C GLY A 47 -13.111 3.357 2.561 1.00 0.00 C ATOM 643 O GLY A 47 -13.949 4.256 2.561 1.00 0.00 O ATOM 0 H GLY A 47 -11.367 1.186 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.890 3.219 0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.554 2.727 0.550 1.00 0.00 H new ATOM 647 N SER A 48 -12.514 2.926 3.676 1.00 0.00 N ATOM 648 CA SER A 48 -12.729 3.523 4.988 1.00 0.00 C ATOM 649 C SER A 48 -11.533 4.428 5.253 1.00 0.00 C ATOM 650 O SER A 48 -11.644 5.652 5.234 1.00 0.00 O ATOM 651 CB SER A 48 -12.852 2.425 6.049 1.00 0.00 C ATOM 652 OG SER A 48 -11.949 1.373 5.762 1.00 0.00 O ATOM 0 H SER A 48 -11.861 2.143 3.688 1.00 0.00 H new ATOM 0 HA SER A 48 -13.653 4.100 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.642 2.836 7.036 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.873 2.043 6.073 1.00 0.00 H new ATOM 0 HG SER A 48 -12.414 0.670 5.262 1.00 0.00 H new ATOM 658 N TYR A 49 -10.379 3.808 5.500 1.00 0.00 N ATOM 659 CA TYR A 49 -9.132 4.539 5.646 1.00 0.00 C ATOM 660 C TYR A 49 -8.831 5.163 4.281 1.00 0.00 C ATOM 661 O TYR A 49 -8.979 4.486 3.267 1.00 0.00 O ATOM 662 CB TYR A 49 -8.017 3.585 6.101 1.00 0.00 C ATOM 663 CG TYR A 49 -6.736 4.276 6.535 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.752 5.147 7.640 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.519 4.007 5.881 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.569 5.782 8.056 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.340 4.661 6.287 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.366 5.555 7.370 1.00 0.00 C ATOM 669 OH TYR A 49 -3.230 6.184 7.787 1.00 0.00 O ATOM 0 H TYR A 49 -10.288 2.797 5.603 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.202 5.319 6.404 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.388 2.981 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.787 2.900 5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.676 5.328 8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.489 3.298 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.586 6.447 8.907 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.413 4.475 5.764 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.624 6.304 7.026 1.00 0.00 H new ATOM 679 N GLY A 50 -8.441 6.438 4.224 1.00 0.00 N ATOM 680 CA GLY A 50 -8.189 7.107 2.958 1.00 0.00 C ATOM 681 C GLY A 50 -7.969 8.599 3.179 1.00 0.00 C ATOM 682 O GLY A 50 -7.868 9.049 4.319 1.00 0.00 O ATOM 0 H GLY A 50 -8.294 7.024 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.313 6.671 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.032 6.953 2.284 1.00 0.00 H new ATOM 686 N GLY A 51 -7.880 9.353 2.082 1.00 0.00 N ATOM 687 CA GLY A 51 -7.672 10.790 2.062 1.00 0.00 C ATOM 688 C GLY A 51 -7.512 11.206 0.601 1.00 0.00 C ATOM 689 O GLY A 51 -7.232 10.352 -0.239 1.00 0.00 O ATOM 0 H GLY A 51 -7.955 8.955 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.516 11.307 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.786 11.058 2.637 1.00 0.00 H new ATOM 693 N GLU A 52 -7.668 12.495 0.286 1.00 0.00 N ATOM 694 CA GLU A 52 -7.586 12.998 -1.085 1.00 0.00 C ATOM 695 C GLU A 52 -6.332 12.483 -1.801 1.00 0.00 C ATOM 696 O GLU A 52 -6.420 11.833 -2.842 1.00 0.00 O ATOM 697 CB GLU A 52 -7.630 14.532 -1.085 1.00 0.00 C ATOM 698 CG GLU A 52 -8.962 15.069 -0.544 1.00 0.00 C ATOM 699 CD GLU A 52 -8.995 16.593 -0.593 1.00 0.00 C ATOM 700 OE1 GLU A 52 -8.391 17.199 0.318 1.00 0.00 O ATOM 701 OE2 GLU A 52 -9.610 17.121 -1.545 1.00 0.00 O ATOM 0 H GLU A 52 -7.855 13.220 0.978 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.447 12.622 -1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.810 14.918 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.476 14.899 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.787 14.664 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.105 14.731 0.482 1.00 0.00 H new ATOM 708 N ARG A 53 -5.160 12.731 -1.209 1.00 0.00 N ATOM 709 CA ARG A 53 -3.879 12.308 -1.766 1.00 0.00 C ATOM 710 C ARG A 53 -3.797 10.796 -1.999 1.00 0.00 C ATOM 711 O ARG A 53 -2.991 10.333 -2.802 1.00 0.00 O ATOM 712 CB ARG A 53 -2.738 12.768 -0.846 1.00 0.00 C ATOM 713 CG ARG A 53 -2.660 12.013 0.494 1.00 0.00 C ATOM 714 CD ARG A 53 -1.481 12.558 1.302 1.00 0.00 C ATOM 715 NE ARG A 53 -1.349 11.901 2.610 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.243 11.979 3.368 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.812 12.691 2.966 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.168 11.343 4.540 1.00 0.00 N ATOM 0 H ARG A 53 -5.077 13.234 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.783 12.778 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.791 12.648 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.857 13.832 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.588 12.137 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.535 10.945 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.560 12.421 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.609 13.631 1.448 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.138 11.358 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.784 13.184 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.646 12.742 3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.958 10.788 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.679 11.412 5.104 1.00 0.00 H new ATOM 732 N LYS A 54 -4.610 10.032 -1.270 1.00 0.00 N ATOM 733 CA LYS A 54 -4.627 8.585 -1.294 1.00 0.00 C ATOM 734 C LYS A 54 -5.594 8.054 -2.354 1.00 0.00 C ATOM 735 O LYS A 54 -5.684 6.843 -2.512 1.00 0.00 O ATOM 736 CB LYS A 54 -4.984 8.088 0.113 1.00 0.00 C ATOM 737 CG LYS A 54 -4.155 8.838 1.168 1.00 0.00 C ATOM 738 CD LYS A 54 -4.210 8.123 2.512 1.00 0.00 C ATOM 739 CE LYS A 54 -3.477 8.878 3.622 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.361 8.034 4.825 1.00 0.00 N ATOM 0 H LYS A 54 -5.296 10.426 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.643 8.206 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.047 8.239 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.796 7.017 0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.120 8.916 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.532 9.855 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.252 7.985 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.774 7.130 2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.485 9.171 3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.014 9.795 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.554 8.355 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.234 8.107 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.213 7.044 4.542 1.00 0.00 H new ATOM 754 N ALA A 55 -6.314 8.914 -3.085 1.00 0.00 N ATOM 755 CA ALA A 55 -7.300 8.484 -4.075 1.00 0.00 C ATOM 756 C ALA A 55 -6.743 7.486 -5.098 1.00 0.00 C ATOM 757 O ALA A 55 -7.329 6.424 -5.310 1.00 0.00 O ATOM 758 CB ALA A 55 -7.896 9.710 -4.773 1.00 0.00 C ATOM 0 H ALA A 55 -6.227 9.927 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.082 7.948 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.631 9.387 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.380 10.350 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.102 10.267 -5.271 1.00 0.00 H new ATOM 764 N MET A 56 -5.617 7.817 -5.739 1.00 0.00 N ATOM 765 CA MET A 56 -5.000 6.951 -6.740 1.00 0.00 C ATOM 766 C MET A 56 -4.735 5.572 -6.129 1.00 0.00 C ATOM 767 O MET A 56 -5.213 4.551 -6.623 1.00 0.00 O ATOM 768 CB MET A 56 -3.727 7.628 -7.273 1.00 0.00 C ATOM 769 CG MET A 56 -3.105 6.894 -8.471 1.00 0.00 C ATOM 770 SD MET A 56 -2.233 5.347 -8.105 1.00 0.00 S ATOM 771 CE MET A 56 -1.756 4.853 -9.774 1.00 0.00 C ATOM 0 H MET A 56 -5.113 8.689 -5.577 1.00 0.00 H new ATOM 0 HA MET A 56 -5.666 6.798 -7.589 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.963 8.651 -7.565 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.992 7.687 -6.470 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.897 6.678 -9.188 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.407 7.572 -8.962 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.206 3.913 -9.732 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.650 4.724 -10.385 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.124 5.624 -10.215 1.00 0.00 H new ATOM 781 N MET A 57 -3.989 5.567 -5.023 1.00 0.00 N ATOM 782 CA MET A 57 -3.652 4.375 -4.267 1.00 0.00 C ATOM 783 C MET A 57 -4.919 3.586 -3.934 1.00 0.00 C ATOM 784 O MET A 57 -4.956 2.377 -4.140 1.00 0.00 O ATOM 785 CB MET A 57 -2.883 4.804 -3.013 1.00 0.00 C ATOM 786 CG MET A 57 -2.618 3.641 -2.054 1.00 0.00 C ATOM 787 SD MET A 57 -1.514 4.058 -0.683 1.00 0.00 S ATOM 788 CE MET A 57 -2.264 5.556 -0.017 1.00 0.00 C ATOM 0 H MET A 57 -3.595 6.419 -4.623 1.00 0.00 H new ATOM 0 HA MET A 57 -3.017 3.710 -4.852 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.933 5.249 -3.309 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.448 5.577 -2.492 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.568 3.293 -1.649 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.187 2.811 -2.615 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.801 5.801 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.114 6.380 -0.715 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.332 5.394 0.129 1.00 0.00 H new ATOM 798 N THR A 58 -5.954 4.270 -3.437 1.00 0.00 N ATOM 799 CA THR A 58 -7.238 3.674 -3.100 1.00 0.00 C ATOM 800 C THR A 58 -7.774 2.924 -4.318 1.00 0.00 C ATOM 801 O THR A 58 -8.086 1.740 -4.219 1.00 0.00 O ATOM 802 CB THR A 58 -8.211 4.745 -2.577 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.674 5.336 -1.411 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.580 4.167 -2.218 1.00 0.00 C ATOM 0 H THR A 58 -5.916 5.273 -3.256 1.00 0.00 H new ATOM 0 HA THR A 58 -7.120 2.953 -2.291 1.00 0.00 H new ATOM 0 HB THR A 58 -8.341 5.474 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.937 5.933 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.228 4.965 -1.854 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.026 3.712 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.464 3.412 -1.441 1.00 0.00 H new ATOM 812 N ASN A 59 -7.852 3.585 -5.477 1.00 0.00 N ATOM 813 CA ASN A 59 -8.330 2.926 -6.687 1.00 0.00 C ATOM 814 C ASN A 59 -7.436 1.733 -7.034 1.00 0.00 C ATOM 815 O ASN A 59 -7.946 0.691 -7.445 1.00 0.00 O ATOM 816 CB ASN A 59 -8.404 3.910 -7.859 1.00 0.00 C ATOM 817 CG ASN A 59 -9.274 3.431 -9.028 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.740 4.254 -9.808 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.538 2.133 -9.194 1.00 0.00 N ATOM 0 H ASN A 59 -7.593 4.564 -5.599 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.339 2.558 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.794 4.861 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.395 4.098 -8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.127 1.827 -9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.151 1.447 -8.546 1.00 0.00 H new ATOM 826 N ALA A 60 -6.116 1.873 -6.890 1.00 0.00 N ATOM 827 CA ALA A 60 -5.203 0.779 -7.184 1.00 0.00 C ATOM 828 C ALA A 60 -5.538 -0.436 -6.314 1.00 0.00 C ATOM 829 O ALA A 60 -5.819 -1.513 -6.835 1.00 0.00 O ATOM 830 CB ALA A 60 -3.748 1.225 -7.018 1.00 0.00 C ATOM 0 H ALA A 60 -5.663 2.730 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.327 0.483 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.084 0.391 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.540 2.049 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.583 1.554 -5.992 1.00 0.00 H new ATOM 836 N VAL A 61 -5.551 -0.273 -4.988 1.00 0.00 N ATOM 837 CA VAL A 61 -5.863 -1.391 -4.106 1.00 0.00 C ATOM 838 C VAL A 61 -7.299 -1.888 -4.311 1.00 0.00 C ATOM 839 O VAL A 61 -7.548 -3.079 -4.152 1.00 0.00 O ATOM 840 CB VAL A 61 -5.549 -1.084 -2.637 1.00 0.00 C ATOM 841 CG1 VAL A 61 -4.049 -0.863 -2.418 1.00 0.00 C ATOM 842 CG2 VAL A 61 -6.335 0.093 -2.075 1.00 0.00 C ATOM 0 H VAL A 61 -5.352 0.607 -4.512 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.202 -2.212 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.868 -1.969 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.863 -0.648 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.503 -1.761 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.713 -0.023 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.060 0.250 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.106 0.991 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.402 -0.118 -2.141 1.00 0.00 H new ATOM 852 N LYS A 62 -8.240 -1.015 -4.692 1.00 0.00 N ATOM 853 CA LYS A 62 -9.615 -1.415 -4.984 1.00 0.00 C ATOM 854 C LYS A 62 -9.626 -2.508 -6.063 1.00 0.00 C ATOM 855 O LYS A 62 -10.511 -3.360 -6.069 1.00 0.00 O ATOM 856 CB LYS A 62 -10.435 -0.191 -5.433 1.00 0.00 C ATOM 857 CG LYS A 62 -11.953 -0.420 -5.527 1.00 0.00 C ATOM 858 CD LYS A 62 -12.672 -0.499 -4.172 1.00 0.00 C ATOM 859 CE LYS A 62 -12.622 0.827 -3.396 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.501 0.791 -2.214 1.00 0.00 N ATOM 0 H LYS A 62 -8.067 -0.016 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.071 -1.821 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.249 0.626 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.071 0.132 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.394 0.388 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.135 -1.345 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.712 -0.782 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.217 -1.285 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.598 1.029 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.923 1.645 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.524 1.731 -1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.463 0.522 -2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.138 0.095 -1.532 1.00 0.00 H new ATOM 874 N LYS A 63 -8.652 -2.488 -6.983 1.00 0.00 N ATOM 875 CA LYS A 63 -8.547 -3.464 -8.049 1.00 0.00 C ATOM 876 C LYS A 63 -7.926 -4.791 -7.570 1.00 0.00 C ATOM 877 O LYS A 63 -7.952 -5.772 -8.311 1.00 0.00 O ATOM 878 CB LYS A 63 -7.726 -2.841 -9.193 1.00 0.00 C ATOM 879 CG LYS A 63 -8.587 -2.469 -10.406 1.00 0.00 C ATOM 880 CD LYS A 63 -9.506 -1.287 -10.072 1.00 0.00 C ATOM 881 CE LYS A 63 -10.408 -0.910 -11.254 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.632 -0.411 -12.403 1.00 0.00 N ATOM 0 H LYS A 63 -7.914 -1.784 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.548 -3.716 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.218 -1.949 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.952 -3.543 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.946 -2.212 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.185 -3.327 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.124 -1.540 -9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.901 -0.426 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.989 -1.781 -11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.120 -0.147 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.281 -0.042 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.996 0.349 -12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.070 -1.188 -12.806 1.00 0.00 H new ATOM 896 N ALA A 64 -7.349 -4.836 -6.364 1.00 0.00 N ATOM 897 CA ALA A 64 -6.677 -6.003 -5.808 1.00 0.00 C ATOM 898 C ALA A 64 -7.642 -6.807 -4.934 1.00 0.00 C ATOM 899 O ALA A 64 -8.476 -6.233 -4.237 1.00 0.00 O ATOM 900 CB ALA A 64 -5.475 -5.517 -4.993 1.00 0.00 C ATOM 0 H ALA A 64 -7.340 -4.034 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.337 -6.660 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.955 -6.374 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.794 -4.966 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.819 -4.865 -4.191 1.00 0.00 H new ATOM 906 N SER A 65 -7.536 -8.139 -4.963 1.00 0.00 N ATOM 907 CA SER A 65 -8.382 -9.010 -4.153 1.00 0.00 C ATOM 908 C SER A 65 -7.743 -9.216 -2.778 1.00 0.00 C ATOM 909 O SER A 65 -6.593 -8.841 -2.563 1.00 0.00 O ATOM 910 CB SER A 65 -8.616 -10.341 -4.876 1.00 0.00 C ATOM 911 OG SER A 65 -7.426 -11.103 -4.916 1.00 0.00 O ATOM 0 H SER A 65 -6.864 -8.638 -5.546 1.00 0.00 H new ATOM 0 HA SER A 65 -9.355 -8.542 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.398 -10.905 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.968 -10.153 -5.890 1.00 0.00 H new ATOM 0 HG SER A 65 -7.481 -11.830 -4.261 1.00 0.00 H new ATOM 917 N ASP A 66 -8.465 -9.844 -1.845 1.00 0.00 N ATOM 918 CA ASP A 66 -7.965 -10.079 -0.494 1.00 0.00 C ATOM 919 C ASP A 66 -6.605 -10.783 -0.487 1.00 0.00 C ATOM 920 O ASP A 66 -5.726 -10.430 0.296 1.00 0.00 O ATOM 921 CB ASP A 66 -8.999 -10.859 0.320 1.00 0.00 C ATOM 922 CG ASP A 66 -8.529 -11.024 1.760 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.344 -9.977 2.422 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.355 -12.192 2.169 1.00 0.00 O ATOM 0 H ASP A 66 -9.407 -10.201 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.808 -9.107 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.955 -10.336 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.162 -11.838 -0.130 1.00 0.00 H new ATOM 929 N GLU A 67 -6.428 -11.772 -1.365 1.00 0.00 N ATOM 930 CA GLU A 67 -5.216 -12.527 -1.511 1.00 0.00 C ATOM 931 C GLU A 67 -4.068 -11.590 -1.878 1.00 0.00 C ATOM 932 O GLU A 67 -3.025 -11.569 -1.224 1.00 0.00 O ATOM 933 CB GLU A 67 -5.473 -13.566 -2.607 1.00 0.00 C ATOM 934 CG GLU A 67 -6.568 -14.597 -2.274 1.00 0.00 C ATOM 935 CD GLU A 67 -8.000 -14.101 -2.479 1.00 0.00 C ATOM 936 OE1 GLU A 67 -8.157 -13.060 -3.157 1.00 0.00 O ATOM 937 OE2 GLU A 67 -8.913 -14.762 -1.942 1.00 0.00 O ATOM 0 H GLU A 67 -7.161 -12.067 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.934 -13.028 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.750 -13.046 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.543 -14.097 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.413 -15.482 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.451 -14.908 -1.236 1.00 0.00 H new ATOM 944 N GLU A 68 -4.295 -10.800 -2.928 1.00 0.00 N ATOM 945 CA GLU A 68 -3.351 -9.821 -3.416 1.00 0.00 C ATOM 946 C GLU A 68 -3.008 -8.861 -2.279 1.00 0.00 C ATOM 947 O GLU A 68 -1.834 -8.656 -2.010 1.00 0.00 O ATOM 948 CB GLU A 68 -3.947 -9.083 -4.623 1.00 0.00 C ATOM 949 CG GLU A 68 -4.359 -9.981 -5.800 1.00 0.00 C ATOM 950 CD GLU A 68 -3.201 -10.697 -6.491 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.612 -11.600 -5.859 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.931 -10.355 -7.664 1.00 0.00 O ATOM 0 H GLU A 68 -5.161 -10.831 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.433 -10.306 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.821 -8.523 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.218 -8.355 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.067 -10.727 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.884 -9.373 -6.537 1.00 0.00 H new ATOM 959 N LEU A 69 -4.007 -8.298 -1.593 1.00 0.00 N ATOM 960 CA LEU A 69 -3.834 -7.366 -0.509 1.00 0.00 C ATOM 961 C LEU A 69 -2.959 -7.953 0.603 1.00 0.00 C ATOM 962 O LEU A 69 -1.968 -7.332 0.990 1.00 0.00 O ATOM 963 CB LEU A 69 -5.237 -6.977 -0.040 1.00 0.00 C ATOM 964 CG LEU A 69 -5.999 -6.095 -1.048 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.488 -6.027 -0.692 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.468 -4.662 -1.078 1.00 0.00 C ATOM 0 H LEU A 69 -4.987 -8.495 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.298 -6.473 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.813 -7.883 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.160 -6.447 0.909 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.853 -6.556 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.007 -5.399 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.913 -7.031 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.605 -5.603 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.036 -4.079 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.573 -4.214 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.416 -4.670 -1.363 1.00 0.00 H new ATOM 978 N LYS A 70 -3.292 -9.145 1.111 1.00 0.00 N ATOM 979 CA LYS A 70 -2.484 -9.807 2.128 1.00 0.00 C ATOM 980 C LYS A 70 -1.054 -9.988 1.635 1.00 0.00 C ATOM 981 O LYS A 70 -0.099 -9.715 2.358 1.00 0.00 O ATOM 982 CB LYS A 70 -3.100 -11.164 2.478 1.00 0.00 C ATOM 983 CG LYS A 70 -4.369 -10.937 3.293 1.00 0.00 C ATOM 984 CD LYS A 70 -5.098 -12.253 3.554 1.00 0.00 C ATOM 985 CE LYS A 70 -6.247 -11.941 4.508 1.00 0.00 C ATOM 986 NZ LYS A 70 -7.129 -13.105 4.699 1.00 0.00 N ATOM 0 H LYS A 70 -4.121 -9.669 0.829 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.464 -9.185 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.331 -11.719 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.390 -11.765 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.116 -10.464 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.029 -10.252 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.473 -12.678 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.423 -12.989 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.845 -11.627 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.827 -11.105 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.651 -13.002 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.803 -13.163 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.557 -13.973 4.730 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.901 -10.447 0.396 1.00 0.00 N ATOM 1001 CA ALA A 71 0.413 -10.651 -0.176 1.00 0.00 C ATOM 1002 C ALA A 71 1.163 -9.332 -0.377 1.00 0.00 C ATOM 1003 O ALA A 71 2.383 -9.300 -0.252 1.00 0.00 O ATOM 1004 CB ALA A 71 0.260 -11.423 -1.481 1.00 0.00 C ATOM 0 H ALA A 71 -1.675 -10.683 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 71 1.020 -11.232 0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.242 -11.585 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.211 -12.385 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.360 -10.851 -2.171 1.00 0.00 H new ATOM 1010 N LEU A 72 0.457 -8.239 -0.677 1.00 0.00 N ATOM 1011 CA LEU A 72 1.047 -6.928 -0.890 1.00 0.00 C ATOM 1012 C LEU A 72 1.617 -6.474 0.445 1.00 0.00 C ATOM 1013 O LEU A 72 2.773 -6.060 0.542 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.062 -6.016 -1.435 1.00 0.00 C ATOM 1015 CG LEU A 72 0.334 -4.752 -2.214 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.639 -4.879 -3.004 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.801 -4.426 -3.196 1.00 0.00 C ATOM 0 H LEU A 72 -0.558 -8.247 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 72 1.862 -6.917 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.695 -6.619 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.677 -5.704 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 72 0.498 -3.965 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.843 -3.942 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.458 -5.100 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.547 -5.685 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.545 -3.531 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.941 -5.262 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.723 -4.253 -2.642 1.00 0.00 H new ATOM 1029 N ALA A 73 0.786 -6.607 1.480 1.00 0.00 N ATOM 1030 CA ALA A 73 1.187 -6.348 2.855 1.00 0.00 C ATOM 1031 C ALA A 73 2.433 -7.168 3.203 1.00 0.00 C ATOM 1032 O ALA A 73 3.448 -6.611 3.615 1.00 0.00 O ATOM 1033 CB ALA A 73 0.038 -6.670 3.812 1.00 0.00 C ATOM 0 H ALA A 73 -0.187 -6.899 1.383 1.00 0.00 H new ATOM 0 HA ALA A 73 1.431 -5.291 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.352 -6.472 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.823 -6.047 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.235 -7.721 3.713 1.00 0.00 H new ATOM 1039 N ASP A 74 2.365 -8.493 3.029 1.00 0.00 N ATOM 1040 CA ASP A 74 3.482 -9.387 3.297 1.00 0.00 C ATOM 1041 C ASP A 74 4.739 -8.936 2.548 1.00 0.00 C ATOM 1042 O ASP A 74 5.818 -8.894 3.131 1.00 0.00 O ATOM 1043 CB ASP A 74 3.109 -10.824 2.927 1.00 0.00 C ATOM 1044 CG ASP A 74 4.246 -11.782 3.264 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.406 -12.073 4.468 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.940 -12.200 2.312 1.00 0.00 O ATOM 0 H ASP A 74 1.527 -8.971 2.697 1.00 0.00 H new ATOM 0 HA ASP A 74 3.704 -9.351 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.207 -11.120 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.881 -10.883 1.863 1.00 0.00 H new ATOM 1051 N TYR A 75 4.616 -8.593 1.265 1.00 0.00 N ATOM 1052 CA TYR A 75 5.743 -8.117 0.477 1.00 0.00 C ATOM 1053 C TYR A 75 6.368 -6.896 1.160 1.00 0.00 C ATOM 1054 O TYR A 75 7.537 -6.914 1.546 1.00 0.00 O ATOM 1055 CB TYR A 75 5.291 -7.813 -0.960 1.00 0.00 C ATOM 1056 CG TYR A 75 6.431 -7.534 -1.920 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.077 -6.283 -1.909 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.889 -8.549 -2.781 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.207 -6.070 -2.716 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.988 -8.315 -3.626 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.650 -7.076 -3.588 1.00 0.00 C ATOM 1062 OH TYR A 75 9.722 -6.842 -4.396 1.00 0.00 O ATOM 0 H TYR A 75 3.737 -8.638 0.750 1.00 0.00 H new ATOM 0 HA TYR A 75 6.509 -8.891 0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.713 -8.658 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.623 -6.952 -0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.704 -5.488 -1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.395 -9.509 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.736 -5.130 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.323 -9.086 -4.303 1.00 0.00 H new ATOM 0 HH TYR A 75 9.903 -7.638 -4.938 1.00 0.00 H new ATOM 1072 N MET A 76 5.576 -5.836 1.343 1.00 0.00 N ATOM 1073 CA MET A 76 6.025 -4.599 1.932 1.00 0.00 C ATOM 1074 C MET A 76 6.541 -4.772 3.363 1.00 0.00 C ATOM 1075 O MET A 76 7.375 -3.989 3.809 1.00 0.00 O ATOM 1076 CB MET A 76 4.863 -3.613 1.834 1.00 0.00 C ATOM 1077 CG MET A 76 4.914 -2.817 0.525 1.00 0.00 C ATOM 1078 SD MET A 76 3.620 -1.559 0.365 1.00 0.00 S ATOM 1079 CE MET A 76 2.412 -2.507 -0.561 1.00 0.00 C ATOM 0 H MET A 76 4.591 -5.826 1.077 1.00 0.00 H new ATOM 0 HA MET A 76 6.889 -4.217 1.389 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.919 -4.154 1.896 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.894 -2.927 2.680 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.887 -2.332 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.835 -3.511 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.433 -2.038 -0.468 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.701 -2.538 -1.611 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.367 -3.522 -0.167 1.00 0.00 H new ATOM 1089 N SER A 77 6.072 -5.779 4.102 1.00 0.00 N ATOM 1090 CA SER A 77 6.553 -6.017 5.441 1.00 0.00 C ATOM 1091 C SER A 77 8.013 -6.485 5.465 1.00 0.00 C ATOM 1092 O SER A 77 8.648 -6.395 6.512 1.00 0.00 O ATOM 1093 CB SER A 77 5.617 -7.007 6.128 1.00 0.00 C ATOM 1094 OG SER A 77 5.882 -8.352 5.798 1.00 0.00 O ATOM 0 H SER A 77 5.359 -6.437 3.785 1.00 0.00 H new ATOM 0 HA SER A 77 6.547 -5.077 5.992 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.699 -6.883 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.588 -6.770 5.857 1.00 0.00 H new ATOM 0 HG SER A 77 5.934 -8.446 4.824 1.00 0.00 H new ATOM 1100 N LYS A 78 8.539 -6.985 4.337 1.00 0.00 N ATOM 1101 CA LYS A 78 9.893 -7.519 4.253 1.00 0.00 C ATOM 1102 C LYS A 78 10.813 -6.562 3.491 1.00 0.00 C ATOM 1103 O LYS A 78 11.614 -7.000 2.667 1.00 0.00 O ATOM 1104 CB LYS A 78 9.851 -8.908 3.599 1.00 0.00 C ATOM 1105 CG LYS A 78 8.968 -9.884 4.389 1.00 0.00 C ATOM 1106 CD LYS A 78 9.093 -11.329 3.880 1.00 0.00 C ATOM 1107 CE LYS A 78 8.831 -11.473 2.374 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.504 -10.964 1.991 1.00 0.00 N ATOM 0 H LYS A 78 8.028 -7.027 3.455 1.00 0.00 H new ATOM 0 HA LYS A 78 10.305 -7.620 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.473 -8.819 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.863 -9.308 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.244 -9.848 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.928 -9.566 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.094 -11.699 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.391 -11.960 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.599 -10.934 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.911 -12.523 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.440 -10.907 0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.769 -11.607 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.364 -10.018 2.399 1.00 0.00 H new ATOM 1122 N LEU A 79 10.691 -5.261 3.751 1.00 0.00 N ATOM 1123 CA LEU A 79 11.475 -4.210 3.190 1.00 0.00 C ATOM 1124 C LEU A 79 12.278 -3.620 4.346 1.00 0.00 C ATOM 1125 O LEU A 79 11.627 -3.280 5.360 1.00 0.00 O ATOM 1126 CB LEU A 79 10.448 -3.200 2.695 1.00 0.00 C ATOM 1127 CG LEU A 79 9.926 -3.447 1.271 1.00 0.00 C ATOM 1128 CD1 LEU A 79 8.910 -2.354 0.933 1.00 0.00 C ATOM 1129 CD2 LEU A 79 11.030 -3.467 0.208 1.00 0.00 C ATOM 1130 OXT LEU A 79 13.512 -3.499 4.202 1.00 0.00 O ATOM 0 H LEU A 79 9.990 -4.911 4.404 1.00 0.00 H new ATOM 0 HA LEU A 79 12.151 -4.513 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.601 -3.200 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.891 -2.205 2.736 1.00 0.00 H new ATOM 0 HG LEU A 79 9.471 -4.437 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.527 -2.512 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.085 -2.392 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.393 -1.378 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.588 -3.646 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.548 -2.508 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.741 -4.261 0.436 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.822 4.014 -0.931 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.213 4.672 2.389 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.081 0.758 -0.199 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.681 3.336 -4.251 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.962 7.375 -1.585 1.00 10.53 C HETATM 1148 NA HEC A 80 0.777 2.918 0.735 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.029 3.349 2.021 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.957 2.245 2.942 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.494 1.183 2.240 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.427 1.590 0.857 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.131 -0.179 2.754 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.273 2.310 4.409 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.049 2.513 5.294 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.386 2.289 6.761 1.00 22.27 C HETATM 1157 O1A HEC A 80 0.333 3.250 7.522 1.00 18.65 O HETATM 1158 O2A HEC A 80 0.684 1.151 7.118 1.00 17.21 O HETATM 1159 NB HEC A 80 0.458 2.375 -2.016 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.107 1.126 -1.542 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.176 0.243 -2.646 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.117 0.916 -3.789 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.442 2.274 -3.393 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.618 -1.187 -2.517 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.146 0.315 -5.180 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.236 1.136 -6.425 1.00 6.48 C HETATM 1167 NC HEC A 80 0.897 5.125 -2.578 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.844 4.664 -3.877 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.014 5.753 -4.805 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.227 6.874 -4.063 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.032 6.499 -2.672 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.037 5.589 -6.304 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.624 8.245 -4.557 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.444 9.028 -5.143 1.00 10.94 C HETATM 1175 ND HEC A 80 0.888 5.675 0.187 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.853 6.981 -0.251 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.593 7.860 0.872 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.576 7.086 1.997 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.937 5.752 1.565 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.278 9.327 0.742 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.113 7.503 3.384 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.603 6.779 4.653 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.028 7.470 5.882 1.00 6.46 C HETATM 1184 O1D HEC A 80 -0.967 6.978 6.410 1.00 8.25 O HETATM 1185 O2D HEC A 80 0.585 8.487 6.288 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.108 9.835 0.251 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.627 9.454 0.148 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.125 9.755 1.733 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.857 4.928 -6.585 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.093 5.158 -6.637 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.178 6.562 -6.774 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.142 -1.756 -1.981 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.558 -1.229 -1.967 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.759 -1.615 -3.509 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 1.004 -0.637 3.219 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.667 -0.089 3.491 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.208 -0.802 1.926 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.294 5.734 4.631 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.692 6.788 4.693 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 0.025 8.478 -5.986 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.322 9.158 -4.378 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.788 10.005 -5.482 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.264 1.485 -6.330 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 0.431 1.994 -6.514 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.145 0.512 -7.314 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.338 3.523 5.157 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.740 1.825 4.991 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.373 8.555 3.501 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.975 7.441 3.385 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.774 1.388 4.704 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.975 3.125 4.584 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.995 8.444 -1.795 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.747 3.109 -5.315 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.234 -0.258 0.040 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.599 4.876 3.388 1.00 5.52 H new