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 59 ASN : amide:sc= 0.292 X(o=0.93,f=0.57) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -159:sc= 0.64 (180deg=0.262) USER MOD Set 2.1: A 44 TYR OH : rot 90:sc= 0.59 USER MOD Set 2.2: A 49 TYR OH : rot -39:sc= 0.847 USER MOD Set 2.3: A 57 MET CE :methyl 175:sc= -2.78 (180deg=-3.45) USER MOD Set 3.1: A 38 TYR OH : rot 21:sc= 1.97 USER MOD Set 3.2: A 42 LYS NZ :NH3+ -162:sc= 0.828 (180deg=-0.196) USER MOD Set 4.1: A 41 MET CE :methyl -132:sc= -1.72 (180deg=-3.99!) USER MOD Set 4.2: A 76 MET CE :methyl 152:sc= -1.26 (180deg=-0.429) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -145:sc= 1.2 (180deg=0.304) USER MOD Set 5.2: A 9 SER OG : rot 87:sc= 0.837 USER MOD Single : A 1 ALA N :NH3+ 154:sc= 2.66 (180deg=2.14) USER MOD Single : A 7 TYR OH : rot -115:sc= 1.93 USER MOD Single : A 19 SER OG : rot -170:sc= 0.662 USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0.285 (180deg=0.283) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 30:sc= 1.21 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.122) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 32 GLN : amide:sc= 0.124 K(o=0.12,f=-3.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.341 (180deg=0.327) USER MOD Single : A 48 SER OG : rot -114:sc= 1.46 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.108) USER MOD Single : A 56 MET CE :methyl -172:sc= -0.0018 (180deg=-0.121) USER MOD Single : A 58 THR OG1 : rot -72:sc= 1.15 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 0.623 (180deg=0.564) USER MOD Single : A 65 SER OG : rot 180:sc= -0.07 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 74:sc= 1.09 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.991 (180deg=0.941) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.813 -14.548 -4.689 1.00 0.00 N ATOM 2 CA ALA A 1 -0.692 -13.995 -3.912 1.00 0.00 C ATOM 3 C ALA A 1 0.360 -13.544 -4.916 1.00 0.00 C ATOM 4 O ALA A 1 0.319 -14.061 -6.031 1.00 0.00 O ATOM 5 CB ALA A 1 -0.116 -15.039 -2.952 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.329 -15.240 -4.109 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.457 -13.779 -4.965 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.446 -15.016 -5.542 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.027 -13.160 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.710 -14.601 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.892 -15.364 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.245 -15.896 -3.520 1.00 0.00 H new ATOM 13 N ASP A 2 1.250 -12.609 -4.563 1.00 0.00 N ATOM 14 CA ASP A 2 2.264 -12.108 -5.487 1.00 0.00 C ATOM 15 C ASP A 2 3.268 -11.202 -4.793 1.00 0.00 C ATOM 16 O ASP A 2 4.467 -11.455 -4.712 1.00 0.00 O ATOM 17 CB ASP A 2 1.594 -11.413 -6.687 1.00 0.00 C ATOM 18 CG ASP A 2 2.516 -10.386 -7.329 1.00 0.00 C ATOM 19 OD1 ASP A 2 3.510 -10.803 -7.960 1.00 0.00 O ATOM 20 OD2 ASP A 2 2.241 -9.188 -7.112 1.00 0.00 O ATOM 0 H ASP A 2 1.285 -12.184 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 2 2.831 -12.960 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.309 -12.160 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.677 -10.924 -6.359 1.00 0.00 H new ATOM 25 N GLY A 3 2.719 -10.091 -4.355 1.00 0.00 N ATOM 26 CA GLY A 3 3.427 -8.989 -3.729 1.00 0.00 C ATOM 27 C GLY A 3 4.184 -8.152 -4.766 1.00 0.00 C ATOM 28 O GLY A 3 3.915 -6.965 -4.934 1.00 0.00 O ATOM 0 H GLY A 3 1.716 -9.920 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.719 -8.356 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.128 -9.377 -2.990 1.00 0.00 H new ATOM 32 N ALA A 4 5.117 -8.784 -5.480 1.00 0.00 N ATOM 33 CA ALA A 4 6.000 -8.130 -6.444 1.00 0.00 C ATOM 34 C ALA A 4 5.265 -7.430 -7.595 1.00 0.00 C ATOM 35 O ALA A 4 5.349 -6.209 -7.741 1.00 0.00 O ATOM 36 CB ALA A 4 7.012 -9.151 -6.973 1.00 0.00 C ATOM 0 H ALA A 4 5.282 -9.787 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 4 6.514 -7.329 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.673 -8.668 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.602 -9.542 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.482 -9.970 -7.459 1.00 0.00 H new ATOM 42 N ALA A 5 4.562 -8.200 -8.433 1.00 0.00 N ATOM 43 CA ALA A 5 3.849 -7.675 -9.595 1.00 0.00 C ATOM 44 C ALA A 5 2.842 -6.585 -9.221 1.00 0.00 C ATOM 45 O ALA A 5 2.508 -5.750 -10.052 1.00 0.00 O ATOM 46 CB ALA A 5 3.175 -8.802 -10.383 1.00 0.00 C ATOM 0 H ALA A 5 4.473 -9.210 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 5 4.595 -7.207 -10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.652 -8.383 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.931 -9.508 -10.727 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.462 -9.319 -9.741 1.00 0.00 H new ATOM 52 N LEU A 6 2.326 -6.593 -7.993 1.00 0.00 N ATOM 53 CA LEU A 6 1.449 -5.579 -7.481 1.00 0.00 C ATOM 54 C LEU A 6 2.292 -4.336 -7.154 1.00 0.00 C ATOM 55 O LEU A 6 2.066 -3.261 -7.715 1.00 0.00 O ATOM 56 CB LEU A 6 0.803 -6.179 -6.241 1.00 0.00 C ATOM 57 CG LEU A 6 -0.285 -7.215 -6.563 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.452 -8.108 -5.339 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.644 -6.588 -6.892 1.00 0.00 C ATOM 0 H LEU A 6 2.521 -7.333 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 6 0.677 -5.272 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.573 -6.649 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.367 -5.378 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 6 0.034 -7.766 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.220 -8.856 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.493 -8.606 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.748 -7.501 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.365 -7.376 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.991 -6.004 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.544 -5.938 -7.761 1.00 0.00 H new ATOM 71 N TYR A 7 3.294 -4.506 -6.277 1.00 0.00 N ATOM 72 CA TYR A 7 4.162 -3.448 -5.762 1.00 0.00 C ATOM 73 C TYR A 7 4.830 -2.590 -6.843 1.00 0.00 C ATOM 74 O TYR A 7 5.127 -1.418 -6.593 1.00 0.00 O ATOM 75 CB TYR A 7 5.189 -4.034 -4.778 1.00 0.00 C ATOM 76 CG TYR A 7 6.016 -3.002 -4.026 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.379 -1.985 -3.291 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.423 -3.047 -4.062 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.133 -0.963 -2.687 1.00 0.00 C ATOM 80 CE2 TYR A 7 8.177 -2.068 -3.392 1.00 0.00 C ATOM 81 CZ TYR A 7 7.536 -0.998 -2.745 1.00 0.00 C ATOM 82 OH TYR A 7 8.263 0.032 -2.223 1.00 0.00 O ATOM 0 H TYR A 7 3.527 -5.423 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 7 3.512 -2.753 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.663 -4.655 -4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.865 -4.689 -5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.304 -1.989 -3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.924 -3.835 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.633 -0.152 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.255 -2.139 -3.374 1.00 0.00 H new ATOM 0 HH TYR A 7 8.745 0.490 -2.943 1.00 0.00 H new ATOM 92 N LYS A 8 5.052 -3.128 -8.050 1.00 0.00 N ATOM 93 CA LYS A 8 5.614 -2.350 -9.151 1.00 0.00 C ATOM 94 C LYS A 8 4.778 -1.083 -9.405 1.00 0.00 C ATOM 95 O LYS A 8 5.286 -0.066 -9.868 1.00 0.00 O ATOM 96 CB LYS A 8 5.713 -3.219 -10.412 1.00 0.00 C ATOM 97 CG LYS A 8 4.352 -3.359 -11.095 1.00 0.00 C ATOM 98 CD LYS A 8 4.409 -4.343 -12.263 1.00 0.00 C ATOM 99 CE LYS A 8 3.160 -4.218 -13.147 1.00 0.00 C ATOM 100 NZ LYS A 8 1.913 -4.238 -12.358 1.00 0.00 N ATOM 0 H LYS A 8 4.849 -4.100 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 8 6.620 -2.029 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.428 -2.777 -11.106 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.094 -4.206 -10.148 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.613 -3.697 -10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.023 -2.384 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.302 -4.154 -12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.489 -5.361 -11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.212 -3.290 -13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.144 -5.035 -13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.170 -4.727 -12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.078 -4.738 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.612 -3.262 -12.160 1.00 0.00 H new ATOM 114 N SER A 9 3.479 -1.157 -9.101 1.00 0.00 N ATOM 115 CA SER A 9 2.521 -0.082 -9.295 1.00 0.00 C ATOM 116 C SER A 9 2.549 0.932 -8.143 1.00 0.00 C ATOM 117 O SER A 9 1.736 1.853 -8.128 1.00 0.00 O ATOM 118 CB SER A 9 1.123 -0.707 -9.409 1.00 0.00 C ATOM 119 OG SER A 9 1.176 -1.982 -10.034 1.00 0.00 O ATOM 0 H SER A 9 3.059 -1.996 -8.701 1.00 0.00 H new ATOM 0 HA SER A 9 2.782 0.463 -10.202 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.684 -0.805 -8.416 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.472 -0.046 -9.982 1.00 0.00 H new ATOM 0 HG SER A 9 1.342 -2.671 -9.357 1.00 0.00 H new ATOM 125 N CYS A 10 3.444 0.746 -7.166 1.00 0.00 N ATOM 126 CA CYS A 10 3.525 1.526 -5.940 1.00 0.00 C ATOM 127 C CYS A 10 4.922 2.124 -5.759 1.00 0.00 C ATOM 128 O CYS A 10 5.041 3.264 -5.301 1.00 0.00 O ATOM 129 CB CYS A 10 3.146 0.629 -4.752 1.00 0.00 C ATOM 130 SG CYS A 10 1.790 -0.565 -5.004 1.00 0.00 S ATOM 0 H CYS A 10 4.157 0.018 -7.216 1.00 0.00 H new ATOM 0 HA CYS A 10 2.826 2.361 -5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.034 0.072 -4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.877 1.273 -3.915 1.00 0.00 H new ATOM 135 N ILE A 11 5.981 1.383 -6.128 1.00 0.00 N ATOM 136 CA ILE A 11 7.370 1.855 -6.036 1.00 0.00 C ATOM 137 C ILE A 11 7.537 3.281 -6.561 1.00 0.00 C ATOM 138 O ILE A 11 8.299 4.059 -5.991 1.00 0.00 O ATOM 139 CB ILE A 11 8.367 0.934 -6.770 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.942 0.614 -8.211 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.594 -0.349 -5.973 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.992 -0.172 -9.002 1.00 0.00 C ATOM 0 H ILE A 11 5.895 0.437 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 11 7.599 1.837 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 11 9.307 1.482 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.014 0.043 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.729 1.547 -8.733 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.300 -0.987 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.997 -0.101 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.647 -0.876 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.622 -0.361 -10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.914 0.406 -9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.188 -1.121 -8.503 1.00 0.00 H new ATOM 154 N GLY A 12 6.819 3.627 -7.633 1.00 0.00 N ATOM 155 CA GLY A 12 6.861 4.948 -8.235 1.00 0.00 C ATOM 156 C GLY A 12 6.697 6.063 -7.201 1.00 0.00 C ATOM 157 O GLY A 12 7.320 7.114 -7.336 1.00 0.00 O ATOM 0 H GLY A 12 6.186 2.984 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.809 5.077 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.072 5.030 -8.982 1.00 0.00 H new ATOM 161 N CYS A 13 5.882 5.835 -6.164 1.00 0.00 N ATOM 162 CA CYS A 13 5.615 6.827 -5.129 1.00 0.00 C ATOM 163 C CYS A 13 6.246 6.443 -3.792 1.00 0.00 C ATOM 164 O CYS A 13 6.630 7.313 -3.017 1.00 0.00 O ATOM 165 CB CYS A 13 4.108 6.976 -4.983 1.00 0.00 C ATOM 166 SG CYS A 13 3.627 8.354 -3.927 1.00 0.00 S ATOM 0 H CYS A 13 5.390 4.953 -6.024 1.00 0.00 H new ATOM 0 HA CYS A 13 6.063 7.775 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.666 7.112 -5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.697 6.053 -4.574 1.00 0.00 H new ATOM 171 N HIS A 14 6.378 5.141 -3.526 1.00 0.00 N ATOM 172 CA HIS A 14 6.891 4.615 -2.273 1.00 0.00 C ATOM 173 C HIS A 14 8.408 4.455 -2.207 1.00 0.00 C ATOM 174 O HIS A 14 8.983 4.456 -1.120 1.00 0.00 O ATOM 175 CB HIS A 14 6.198 3.277 -2.044 1.00 0.00 C ATOM 176 CG HIS A 14 4.875 3.492 -1.373 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.807 3.950 -0.072 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.587 3.536 -1.845 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.521 4.214 0.185 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.706 3.885 -0.819 1.00 0.00 N ATOM 0 H HIS A 14 6.124 4.414 -4.194 1.00 0.00 H new ATOM 0 HA HIS A 14 6.674 5.341 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.053 2.766 -2.996 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.827 2.633 -1.429 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.590 4.065 0.572 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.296 3.330 -2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.177 4.649 1.112 1.00 0.00 H new ATOM 188 N GLY A 15 9.068 4.323 -3.350 1.00 0.00 N ATOM 189 CA GLY A 15 10.501 4.113 -3.438 1.00 0.00 C ATOM 190 C GLY A 15 10.822 2.624 -3.553 1.00 0.00 C ATOM 191 O GLY A 15 9.936 1.771 -3.469 1.00 0.00 O ATOM 0 H GLY A 15 8.609 4.360 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.899 4.644 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.989 4.528 -2.557 1.00 0.00 H new ATOM 195 N ALA A 16 12.109 2.321 -3.742 1.00 0.00 N ATOM 196 CA ALA A 16 12.619 0.972 -3.941 1.00 0.00 C ATOM 197 C ALA A 16 12.082 -0.028 -2.916 1.00 0.00 C ATOM 198 O ALA A 16 11.559 -1.072 -3.296 1.00 0.00 O ATOM 199 CB ALA A 16 14.150 0.998 -3.919 1.00 0.00 C ATOM 0 H ALA A 16 12.841 3.031 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 16 12.266 0.629 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.533 -0.011 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.514 1.646 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.494 1.378 -2.957 1.00 0.00 H new ATOM 205 N ASP A 17 12.205 0.288 -1.624 1.00 0.00 N ATOM 206 CA ASP A 17 11.796 -0.591 -0.539 1.00 0.00 C ATOM 207 C ASP A 17 11.019 0.251 0.463 1.00 0.00 C ATOM 208 O ASP A 17 11.541 0.572 1.529 1.00 0.00 O ATOM 209 CB ASP A 17 13.036 -1.231 0.109 1.00 0.00 C ATOM 210 CG ASP A 17 13.858 -2.064 -0.872 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.697 -1.453 -1.570 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.644 -3.295 -0.906 1.00 0.00 O ATOM 0 H ASP A 17 12.597 1.174 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 17 11.165 -1.402 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.666 -0.446 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.720 -1.863 0.939 1.00 0.00 H new ATOM 217 N GLY A 18 9.819 0.688 0.064 1.00 0.00 N ATOM 218 CA GLY A 18 8.929 1.546 0.840 1.00 0.00 C ATOM 219 C GLY A 18 9.678 2.689 1.520 1.00 0.00 C ATOM 220 O GLY A 18 9.326 3.092 2.626 1.00 0.00 O ATOM 0 H GLY A 18 9.430 0.441 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.161 1.956 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.418 0.948 1.595 1.00 0.00 H new ATOM 224 N SER A 19 10.702 3.198 0.838 1.00 0.00 N ATOM 225 CA SER A 19 11.722 4.070 1.362 1.00 0.00 C ATOM 226 C SER A 19 11.369 5.552 1.451 1.00 0.00 C ATOM 227 O SER A 19 11.784 6.197 2.411 1.00 0.00 O ATOM 228 CB SER A 19 12.954 3.848 0.475 1.00 0.00 C ATOM 229 OG SER A 19 12.985 2.503 0.008 1.00 0.00 O ATOM 0 H SER A 19 10.839 2.994 -0.152 1.00 0.00 H new ATOM 0 HA SER A 19 11.883 3.808 2.408 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.931 4.535 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.861 4.067 1.038 1.00 0.00 H new ATOM 0 HG SER A 19 13.847 2.326 -0.423 1.00 0.00 H new ATOM 235 N LYS A 20 10.670 6.114 0.458 1.00 0.00 N ATOM 236 CA LYS A 20 10.429 7.554 0.426 1.00 0.00 C ATOM 237 C LYS A 20 9.063 7.953 0.986 1.00 0.00 C ATOM 238 O LYS A 20 8.102 7.184 0.954 1.00 0.00 O ATOM 239 CB LYS A 20 10.730 8.137 -0.966 1.00 0.00 C ATOM 240 CG LYS A 20 9.727 7.864 -2.091 1.00 0.00 C ATOM 241 CD LYS A 20 10.203 8.631 -3.337 1.00 0.00 C ATOM 242 CE LYS A 20 9.256 8.504 -4.535 1.00 0.00 C ATOM 243 NZ LYS A 20 9.174 7.121 -5.032 1.00 0.00 N ATOM 0 H LYS A 20 10.267 5.597 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 20 11.138 8.015 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.829 9.217 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.701 7.757 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.667 6.796 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.728 8.189 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.315 9.685 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.189 8.265 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.261 8.845 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.598 9.157 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.536 7.084 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.121 6.797 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.807 6.503 -4.280 1.00 0.00 H new ATOM 257 N ALA A 21 8.999 9.178 1.518 1.00 0.00 N ATOM 258 CA ALA A 21 7.791 9.762 2.073 1.00 0.00 C ATOM 259 C ALA A 21 6.817 10.039 0.932 1.00 0.00 C ATOM 260 O ALA A 21 6.881 11.083 0.283 1.00 0.00 O ATOM 261 CB ALA A 21 8.136 11.039 2.845 1.00 0.00 C ATOM 0 H ALA A 21 9.807 9.798 1.572 1.00 0.00 H new ATOM 0 HA ALA A 21 7.321 9.074 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.225 11.472 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.824 10.799 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.605 11.756 2.171 1.00 0.00 H new ATOM 267 N ALA A 22 5.944 9.070 0.661 1.00 0.00 N ATOM 268 CA ALA A 22 4.940 9.161 -0.383 1.00 0.00 C ATOM 269 C ALA A 22 4.178 10.494 -0.306 1.00 0.00 C ATOM 270 O ALA A 22 3.955 11.037 0.777 1.00 0.00 O ATOM 271 CB ALA A 22 4.033 7.938 -0.300 1.00 0.00 C ATOM 0 H ALA A 22 5.919 8.188 1.172 1.00 0.00 H new ATOM 0 HA ALA A 22 5.415 9.158 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.274 7.995 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.627 7.034 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.549 7.910 0.676 1.00 0.00 H new ATOM 277 N MET A 23 3.844 11.059 -1.474 1.00 0.00 N ATOM 278 CA MET A 23 3.240 12.383 -1.617 1.00 0.00 C ATOM 279 C MET A 23 4.015 13.474 -0.854 1.00 0.00 C ATOM 280 O MET A 23 3.453 14.522 -0.545 1.00 0.00 O ATOM 281 CB MET A 23 1.757 12.362 -1.210 1.00 0.00 C ATOM 282 CG MET A 23 0.960 11.314 -1.988 1.00 0.00 C ATOM 283 SD MET A 23 -0.836 11.390 -1.779 1.00 0.00 S ATOM 284 CE MET A 23 -1.357 10.215 -3.049 1.00 0.00 C ATOM 0 H MET A 23 3.992 10.591 -2.368 1.00 0.00 H new ATOM 0 HA MET A 23 3.299 12.643 -2.674 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.678 12.158 -0.142 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.321 13.347 -1.379 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.190 11.421 -3.048 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.302 10.324 -1.686 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.445 10.143 -3.054 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.012 10.557 -4.025 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.929 9.235 -2.836 1.00 0.00 H new ATOM 294 N GLY A 24 5.296 13.246 -0.536 1.00 0.00 N ATOM 295 CA GLY A 24 6.105 14.180 0.228 1.00 0.00 C ATOM 296 C GLY A 24 5.538 14.428 1.628 1.00 0.00 C ATOM 297 O GLY A 24 5.895 15.426 2.250 1.00 0.00 O ATOM 0 H GLY A 24 5.796 12.399 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.120 13.793 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.168 15.126 -0.309 1.00 0.00 H new ATOM 301 N SER A 25 4.670 13.542 2.136 1.00 0.00 N ATOM 302 CA SER A 25 4.012 13.672 3.432 1.00 0.00 C ATOM 303 C SER A 25 3.274 12.369 3.730 1.00 0.00 C ATOM 304 O SER A 25 2.062 12.282 3.528 1.00 0.00 O ATOM 305 CB SER A 25 3.026 14.856 3.430 1.00 0.00 C ATOM 306 OG SER A 25 3.690 16.082 3.661 1.00 0.00 O ATOM 0 H SER A 25 4.403 12.693 1.638 1.00 0.00 H new ATOM 0 HA SER A 25 4.758 13.865 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.507 14.897 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.268 14.701 4.198 1.00 0.00 H new ATOM 0 HG SER A 25 4.605 16.029 3.315 1.00 0.00 H new ATOM 312 N ALA A 26 4.001 11.360 4.211 1.00 0.00 N ATOM 313 CA ALA A 26 3.456 10.055 4.541 1.00 0.00 C ATOM 314 C ALA A 26 4.506 9.270 5.307 1.00 0.00 C ATOM 315 O ALA A 26 5.697 9.496 5.095 1.00 0.00 O ATOM 316 CB ALA A 26 3.166 9.292 3.250 1.00 0.00 C ATOM 0 H ALA A 26 5.004 11.435 4.383 1.00 0.00 H new ATOM 0 HA ALA A 26 2.547 10.177 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.757 8.311 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.445 9.849 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.090 9.170 2.684 1.00 0.00 H new ATOM 322 N LYS A 27 4.083 8.350 6.178 1.00 0.00 N ATOM 323 CA LYS A 27 5.010 7.431 6.811 1.00 0.00 C ATOM 324 C LYS A 27 5.515 6.520 5.691 1.00 0.00 C ATOM 325 O LYS A 27 4.682 5.889 5.037 1.00 0.00 O ATOM 326 CB LYS A 27 4.287 6.579 7.866 1.00 0.00 C ATOM 327 CG LYS A 27 3.632 7.397 8.982 1.00 0.00 C ATOM 328 CD LYS A 27 4.664 8.056 9.910 1.00 0.00 C ATOM 329 CE LYS A 27 3.993 8.833 11.049 1.00 0.00 C ATOM 330 NZ LYS A 27 3.241 7.949 11.958 1.00 0.00 N ATOM 0 H LYS A 27 3.109 8.228 6.455 1.00 0.00 H new ATOM 0 HA LYS A 27 5.817 7.966 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.523 5.979 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.001 5.884 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.000 8.168 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.981 6.749 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.318 7.290 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.294 8.731 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.752 9.373 11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.318 9.579 10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.977 8.476 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.381 7.611 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.834 7.136 12.221 1.00 0.00 H new ATOM 344 N PRO A 28 6.825 6.452 5.406 1.00 0.00 N ATOM 345 CA PRO A 28 7.317 5.531 4.400 1.00 0.00 C ATOM 346 C PRO A 28 6.836 4.123 4.750 1.00 0.00 C ATOM 347 O PRO A 28 6.788 3.773 5.926 1.00 0.00 O ATOM 348 CB PRO A 28 8.843 5.638 4.446 1.00 0.00 C ATOM 349 CG PRO A 28 9.085 7.034 5.020 1.00 0.00 C ATOM 350 CD PRO A 28 7.917 7.212 5.991 1.00 0.00 C ATOM 0 HA PRO A 28 6.956 5.758 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.281 4.864 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.283 5.530 3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.047 7.100 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.083 7.797 4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.169 6.841 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.652 8.263 6.101 1.00 0.00 H new ATOM 358 N VAL A 29 6.446 3.342 3.741 1.00 0.00 N ATOM 359 CA VAL A 29 5.935 1.989 3.922 1.00 0.00 C ATOM 360 C VAL A 29 6.879 1.140 4.758 1.00 0.00 C ATOM 361 O VAL A 29 6.390 0.397 5.603 1.00 0.00 O ATOM 362 CB VAL A 29 5.670 1.357 2.543 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.894 -0.160 2.468 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.219 1.637 2.141 1.00 0.00 C ATOM 0 H VAL A 29 6.478 3.638 2.765 1.00 0.00 H new ATOM 0 HA VAL A 29 4.996 2.037 4.474 1.00 0.00 H new ATOM 0 HB VAL A 29 6.396 1.812 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.682 -0.510 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.930 -0.388 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.230 -0.661 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.020 1.194 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.546 1.203 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.057 2.714 2.090 1.00 0.00 H new ATOM 374 N LYS A 30 8.181 1.222 4.447 1.00 0.00 N ATOM 375 CA LYS A 30 9.314 0.498 5.020 1.00 0.00 C ATOM 376 C LYS A 30 8.901 -0.571 6.040 1.00 0.00 C ATOM 377 O LYS A 30 9.163 -0.457 7.236 1.00 0.00 O ATOM 378 CB LYS A 30 10.296 1.534 5.579 1.00 0.00 C ATOM 379 CG LYS A 30 11.689 0.971 5.900 1.00 0.00 C ATOM 380 CD LYS A 30 12.477 0.614 4.632 1.00 0.00 C ATOM 381 CE LYS A 30 13.912 0.192 4.963 1.00 0.00 C ATOM 382 NZ LYS A 30 13.940 -1.065 5.731 1.00 0.00 N ATOM 0 H LYS A 30 8.492 1.861 3.715 1.00 0.00 H new ATOM 0 HA LYS A 30 9.808 -0.082 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.401 2.345 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.873 1.967 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.250 1.704 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.585 0.083 6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.972 -0.194 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.495 1.472 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.478 0.069 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.402 0.980 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.926 -1.323 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.420 -0.939 6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.494 -1.822 5.174 1.00 0.00 H new ATOM 396 N GLY A 31 8.199 -1.582 5.529 1.00 0.00 N ATOM 397 CA GLY A 31 7.649 -2.702 6.261 1.00 0.00 C ATOM 398 C GLY A 31 7.068 -2.355 7.636 1.00 0.00 C ATOM 399 O GLY A 31 7.470 -2.973 8.618 1.00 0.00 O ATOM 0 H GLY A 31 7.992 -1.636 4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.866 -3.161 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.431 -3.450 6.392 1.00 0.00 H new ATOM 403 N GLN A 32 6.093 -1.428 7.694 1.00 0.00 N ATOM 404 CA GLN A 32 5.443 -0.977 8.941 1.00 0.00 C ATOM 405 C GLN A 32 5.241 -2.134 9.925 1.00 0.00 C ATOM 406 O GLN A 32 5.706 -2.130 11.062 1.00 0.00 O ATOM 407 CB GLN A 32 4.085 -0.265 8.718 1.00 0.00 C ATOM 408 CG GLN A 32 3.913 0.714 7.547 1.00 0.00 C ATOM 409 CD GLN A 32 4.775 1.975 7.619 1.00 0.00 C ATOM 410 OE1 GLN A 32 5.862 1.947 8.186 1.00 0.00 O ATOM 411 NE2 GLN A 32 4.327 3.094 7.043 1.00 0.00 N ATOM 0 H GLN A 32 5.728 -0.963 6.862 1.00 0.00 H new ATOM 0 HA GLN A 32 6.134 -0.246 9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.327 -1.040 8.606 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.851 0.280 9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.142 0.189 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.866 1.012 7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.420 3.099 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.892 3.943 7.071 1.00 0.00 H new ATOM 420 N GLY A 33 4.498 -3.114 9.431 1.00 0.00 N ATOM 421 CA GLY A 33 4.156 -4.375 10.069 1.00 0.00 C ATOM 422 C GLY A 33 3.103 -5.048 9.196 1.00 0.00 C ATOM 423 O GLY A 33 2.322 -4.340 8.573 1.00 0.00 O ATOM 0 H GLY A 33 4.087 -3.041 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.037 -5.009 10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.772 -4.206 11.075 1.00 0.00 H new ATOM 427 N ALA A 34 3.052 -6.380 9.122 1.00 0.00 N ATOM 428 CA ALA A 34 2.095 -7.055 8.245 1.00 0.00 C ATOM 429 C ALA A 34 0.655 -6.716 8.612 1.00 0.00 C ATOM 430 O ALA A 34 -0.155 -6.434 7.734 1.00 0.00 O ATOM 431 CB ALA A 34 2.327 -8.569 8.229 1.00 0.00 C ATOM 0 H ALA A 34 3.656 -7.007 9.654 1.00 0.00 H new ATOM 0 HA ALA A 34 2.265 -6.684 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.600 -9.042 7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.334 -8.779 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.212 -8.965 9.238 1.00 0.00 H new ATOM 437 N GLU A 35 0.340 -6.738 9.908 1.00 0.00 N ATOM 438 CA GLU A 35 -0.982 -6.408 10.405 1.00 0.00 C ATOM 439 C GLU A 35 -1.342 -4.980 10.002 1.00 0.00 C ATOM 440 O GLU A 35 -2.367 -4.743 9.365 1.00 0.00 O ATOM 441 CB GLU A 35 -1.037 -6.631 11.923 1.00 0.00 C ATOM 442 CG GLU A 35 0.040 -5.941 12.778 1.00 0.00 C ATOM 443 CD GLU A 35 0.018 -6.470 14.208 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.021 -6.268 14.872 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.037 -7.078 14.604 1.00 0.00 O ATOM 0 H GLU A 35 1.004 -6.988 10.641 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.729 -7.065 9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.013 -6.299 12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.979 -7.704 12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.023 -6.110 12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.127 -4.864 12.781 1.00 0.00 H new ATOM 452 N GLU A 36 -0.464 -4.047 10.371 1.00 0.00 N ATOM 453 CA GLU A 36 -0.573 -2.632 10.071 1.00 0.00 C ATOM 454 C GLU A 36 -0.863 -2.460 8.585 1.00 0.00 C ATOM 455 O GLU A 36 -1.902 -1.931 8.198 1.00 0.00 O ATOM 456 CB GLU A 36 0.752 -1.941 10.435 1.00 0.00 C ATOM 457 CG GLU A 36 1.058 -1.949 11.936 1.00 0.00 C ATOM 458 CD GLU A 36 -0.019 -1.231 12.743 1.00 0.00 C ATOM 459 OE1 GLU A 36 -0.255 -0.042 12.437 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.597 -1.889 13.634 1.00 0.00 O ATOM 0 H GLU A 36 0.373 -4.272 10.908 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.382 -2.184 10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.567 -2.434 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.722 -0.909 10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.145 -2.979 12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.022 -1.471 12.112 1.00 0.00 H new ATOM 467 N LEU A 37 0.071 -2.941 7.767 1.00 0.00 N ATOM 468 CA LEU A 37 -0.014 -2.867 6.325 1.00 0.00 C ATOM 469 C LEU A 37 -1.368 -3.416 5.882 1.00 0.00 C ATOM 470 O LEU A 37 -2.148 -2.664 5.313 1.00 0.00 O ATOM 471 CB LEU A 37 1.172 -3.605 5.686 1.00 0.00 C ATOM 472 CG LEU A 37 2.515 -2.864 5.831 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.664 -3.835 5.554 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.628 -1.694 4.852 1.00 0.00 C ATOM 0 H LEU A 37 0.919 -3.399 8.101 1.00 0.00 H new ATOM 0 HA LEU A 37 0.051 -1.833 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.261 -4.592 6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.965 -3.759 4.627 1.00 0.00 H new ATOM 0 HG LEU A 37 2.567 -2.474 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.615 -3.312 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.624 -4.659 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.573 -4.227 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.589 -1.198 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.552 -2.066 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.824 -0.983 5.040 1.00 0.00 H new ATOM 486 N TYR A 38 -1.678 -4.686 6.162 1.00 0.00 N ATOM 487 CA TYR A 38 -2.940 -5.312 5.787 1.00 0.00 C ATOM 488 C TYR A 38 -4.141 -4.419 6.095 1.00 0.00 C ATOM 489 O TYR A 38 -4.957 -4.155 5.212 1.00 0.00 O ATOM 490 CB TYR A 38 -3.084 -6.699 6.424 1.00 0.00 C ATOM 491 CG TYR A 38 -4.383 -7.401 6.065 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.777 -7.525 4.718 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.236 -7.867 7.083 1.00 0.00 C ATOM 494 CE1 TYR A 38 -6.021 -8.091 4.393 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.475 -8.445 6.756 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.863 -8.568 5.412 1.00 0.00 C ATOM 497 OH TYR A 38 -8.063 -9.137 5.108 1.00 0.00 O ATOM 0 H TYR A 38 -1.048 -5.312 6.662 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.922 -5.447 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.246 -7.322 6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.021 -6.600 7.508 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.120 -7.183 3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.938 -7.780 8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.330 -8.160 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.130 -8.795 7.540 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.054 -9.442 4.177 1.00 0.00 H new ATOM 507 N LYS A 39 -4.242 -3.947 7.337 1.00 0.00 N ATOM 508 CA LYS A 39 -5.325 -3.062 7.747 1.00 0.00 C ATOM 509 C LYS A 39 -5.351 -1.796 6.885 1.00 0.00 C ATOM 510 O LYS A 39 -6.424 -1.346 6.498 1.00 0.00 O ATOM 511 CB LYS A 39 -5.224 -2.723 9.244 1.00 0.00 C ATOM 512 CG LYS A 39 -6.053 -3.667 10.128 1.00 0.00 C ATOM 513 CD LYS A 39 -5.583 -5.125 10.070 1.00 0.00 C ATOM 514 CE LYS A 39 -6.456 -6.002 10.974 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.020 -7.409 10.940 1.00 0.00 N ATOM 0 H LYS A 39 -3.579 -4.167 8.081 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.268 -3.586 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.179 -2.769 9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.558 -1.698 9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.008 -3.319 11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.097 -3.617 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.630 -5.489 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.541 -5.191 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.411 -5.630 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.496 -5.934 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.630 -7.977 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.086 -7.770 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.035 -7.475 11.267 1.00 0.00 H new ATOM 529 N LYS A 40 -4.195 -1.214 6.574 1.00 0.00 N ATOM 530 CA LYS A 40 -4.111 -0.015 5.753 1.00 0.00 C ATOM 531 C LYS A 40 -4.419 -0.299 4.270 1.00 0.00 C ATOM 532 O LYS A 40 -5.178 0.466 3.681 1.00 0.00 O ATOM 533 CB LYS A 40 -2.745 0.647 5.975 1.00 0.00 C ATOM 534 CG LYS A 40 -2.769 1.624 7.169 1.00 0.00 C ATOM 535 CD LYS A 40 -2.519 0.949 8.519 1.00 0.00 C ATOM 536 CE LYS A 40 -2.559 1.983 9.647 1.00 0.00 C ATOM 537 NZ LYS A 40 -2.359 1.349 10.962 1.00 0.00 N ATOM 0 H LYS A 40 -3.289 -1.564 6.887 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.884 0.689 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.993 -0.122 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.450 1.183 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.014 2.394 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.736 2.126 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.272 0.181 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.550 0.449 8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.787 2.734 9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.517 2.502 9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.492 2.057 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.048 0.580 11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.395 0.962 11.018 1.00 0.00 H new ATOM 551 N MET A 41 -3.885 -1.347 3.622 1.00 0.00 N ATOM 552 CA MET A 41 -4.295 -1.640 2.247 1.00 0.00 C ATOM 553 C MET A 41 -5.800 -1.929 2.216 1.00 0.00 C ATOM 554 O MET A 41 -6.489 -1.461 1.310 1.00 0.00 O ATOM 555 CB MET A 41 -3.463 -2.722 1.527 1.00 0.00 C ATOM 556 CG MET A 41 -2.718 -3.775 2.359 1.00 0.00 C ATOM 557 SD MET A 41 -0.991 -3.378 2.677 1.00 0.00 S ATOM 558 CE MET A 41 -0.379 -3.413 0.989 1.00 0.00 C ATOM 0 H MET A 41 -3.192 -1.984 4.015 1.00 0.00 H new ATOM 0 HA MET A 41 -4.084 -0.746 1.661 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.132 -3.253 0.850 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.725 -2.210 0.909 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.232 -3.899 3.312 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.770 -4.733 1.842 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.533 -4.008 0.945 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.133 -3.855 0.338 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.165 -2.397 0.658 1.00 0.00 H new ATOM 568 N LYS A 42 -6.327 -2.662 3.207 1.00 0.00 N ATOM 569 CA LYS A 42 -7.769 -2.853 3.318 1.00 0.00 C ATOM 570 C LYS A 42 -8.427 -1.477 3.480 1.00 0.00 C ATOM 571 O LYS A 42 -9.449 -1.205 2.863 1.00 0.00 O ATOM 572 CB LYS A 42 -8.105 -3.756 4.513 1.00 0.00 C ATOM 573 CG LYS A 42 -7.764 -5.227 4.246 1.00 0.00 C ATOM 574 CD LYS A 42 -8.853 -5.965 3.446 1.00 0.00 C ATOM 575 CE LYS A 42 -10.163 -6.198 4.214 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.947 -6.903 5.490 1.00 0.00 N ATOM 0 H LYS A 42 -5.779 -3.125 3.932 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.147 -3.342 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.557 -3.412 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.166 -3.668 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.822 -5.282 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.612 -5.737 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.073 -5.394 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.459 -6.929 3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.643 -5.239 4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.847 -6.777 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.847 -7.304 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.257 -7.668 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.584 -6.234 6.199 1.00 0.00 H new ATOM 590 N GLY A 43 -7.821 -0.614 4.302 1.00 0.00 N ATOM 591 CA GLY A 43 -8.165 0.780 4.525 1.00 0.00 C ATOM 592 C GLY A 43 -8.463 1.463 3.200 1.00 0.00 C ATOM 593 O GLY A 43 -9.559 1.968 2.950 1.00 0.00 O ATOM 0 H GLY A 43 -7.021 -0.900 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.033 0.848 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.343 1.289 5.029 1.00 0.00 H new ATOM 597 N TYR A 44 -7.431 1.488 2.361 1.00 0.00 N ATOM 598 CA TYR A 44 -7.479 2.105 1.054 1.00 0.00 C ATOM 599 C TYR A 44 -8.533 1.429 0.187 1.00 0.00 C ATOM 600 O TYR A 44 -9.359 2.128 -0.390 1.00 0.00 O ATOM 601 CB TYR A 44 -6.082 2.115 0.416 1.00 0.00 C ATOM 602 CG TYR A 44 -5.103 3.071 1.068 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.492 4.398 1.316 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.795 2.661 1.390 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.654 5.258 2.038 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.911 3.568 2.001 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.345 4.854 2.348 1.00 0.00 C ATOM 608 OH TYR A 44 -2.513 5.682 3.041 1.00 0.00 O ATOM 0 H TYR A 44 -6.526 1.071 2.581 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.782 3.148 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.669 1.107 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.179 2.376 -0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.442 4.757 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.472 1.654 1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.013 6.226 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.892 3.272 2.204 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.612 5.516 4.002 1.00 0.00 H new ATOM 618 N ALA A 45 -8.546 0.097 0.117 1.00 0.00 N ATOM 619 CA ALA A 45 -9.538 -0.627 -0.668 1.00 0.00 C ATOM 620 C ALA A 45 -10.965 -0.274 -0.233 1.00 0.00 C ATOM 621 O ALA A 45 -11.854 -0.151 -1.072 1.00 0.00 O ATOM 622 CB ALA A 45 -9.283 -2.133 -0.567 1.00 0.00 C ATOM 0 H ALA A 45 -7.875 -0.502 0.599 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.440 -0.325 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.028 -2.668 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.287 -2.360 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.352 -2.445 0.475 1.00 0.00 H new ATOM 628 N ASP A 46 -11.194 -0.115 1.072 1.00 0.00 N ATOM 629 CA ASP A 46 -12.497 0.230 1.616 1.00 0.00 C ATOM 630 C ASP A 46 -12.812 1.700 1.331 1.00 0.00 C ATOM 631 O ASP A 46 -13.971 2.063 1.157 1.00 0.00 O ATOM 632 CB ASP A 46 -12.510 -0.079 3.116 1.00 0.00 C ATOM 633 CG ASP A 46 -13.871 0.205 3.743 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.852 -0.421 3.289 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.897 1.029 4.683 1.00 0.00 O ATOM 0 H ASP A 46 -10.470 -0.224 1.782 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.275 -0.365 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.249 -1.126 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.748 0.518 3.616 1.00 0.00 H new ATOM 640 N GLY A 47 -11.779 2.547 1.306 1.00 0.00 N ATOM 641 CA GLY A 47 -11.902 3.967 1.010 1.00 0.00 C ATOM 642 C GLY A 47 -12.009 4.810 2.278 1.00 0.00 C ATOM 643 O GLY A 47 -11.913 6.031 2.210 1.00 0.00 O ATOM 0 H GLY A 47 -10.820 2.255 1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.038 4.292 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.783 4.133 0.389 1.00 0.00 H new ATOM 647 N SER A 48 -12.174 4.178 3.442 1.00 0.00 N ATOM 648 CA SER A 48 -12.270 4.844 4.721 1.00 0.00 C ATOM 649 C SER A 48 -10.938 5.522 5.024 1.00 0.00 C ATOM 650 O SER A 48 -10.869 6.720 5.283 1.00 0.00 O ATOM 651 CB SER A 48 -12.581 3.749 5.738 1.00 0.00 C ATOM 652 OG SER A 48 -11.838 2.582 5.420 1.00 0.00 O ATOM 0 H SER A 48 -12.245 3.163 3.511 1.00 0.00 H new ATOM 0 HA SER A 48 -13.042 5.613 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.331 4.090 6.743 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.648 3.526 5.733 1.00 0.00 H new ATOM 0 HG SER A 48 -12.452 1.867 5.151 1.00 0.00 H new ATOM 658 N TYR A 49 -9.870 4.724 4.981 1.00 0.00 N ATOM 659 CA TYR A 49 -8.512 5.198 5.205 1.00 0.00 C ATOM 660 C TYR A 49 -8.055 6.179 4.120 1.00 0.00 C ATOM 661 O TYR A 49 -7.223 7.060 4.334 1.00 0.00 O ATOM 662 CB TYR A 49 -7.572 3.989 5.259 1.00 0.00 C ATOM 663 CG TYR A 49 -6.130 4.297 5.542 1.00 0.00 C ATOM 664 CD1 TYR A 49 -5.759 5.198 6.553 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.150 3.582 4.846 1.00 0.00 C ATOM 666 CE1 TYR A 49 -4.401 5.452 6.796 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.801 3.793 5.133 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.414 4.782 6.049 1.00 0.00 C ATOM 669 OH TYR A 49 -2.087 5.015 6.251 1.00 0.00 O ATOM 0 H TYR A 49 -9.928 3.724 4.788 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.488 5.740 6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.935 3.304 6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.632 3.463 4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.517 5.694 7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.437 2.868 4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.113 6.162 7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.049 3.190 4.646 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.943 5.972 6.406 1.00 0.00 H new ATOM 679 N GLY A 50 -8.614 5.979 2.938 1.00 0.00 N ATOM 680 CA GLY A 50 -8.350 6.708 1.706 1.00 0.00 C ATOM 681 C GLY A 50 -8.877 8.138 1.692 1.00 0.00 C ATOM 682 O GLY A 50 -9.696 8.526 0.862 1.00 0.00 O ATOM 0 H GLY A 50 -9.315 5.250 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.274 6.729 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.794 6.162 0.874 1.00 0.00 H new ATOM 686 N GLY A 51 -8.333 8.934 2.597 1.00 0.00 N ATOM 687 CA GLY A 51 -8.651 10.340 2.764 1.00 0.00 C ATOM 688 C GLY A 51 -8.216 11.175 1.554 1.00 0.00 C ATOM 689 O GLY A 51 -7.026 11.246 1.250 1.00 0.00 O ATOM 0 H GLY A 51 -7.631 8.605 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.724 10.453 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.161 10.719 3.661 1.00 0.00 H new ATOM 693 N GLU A 52 -9.185 11.820 0.892 1.00 0.00 N ATOM 694 CA GLU A 52 -9.038 12.738 -0.238 1.00 0.00 C ATOM 695 C GLU A 52 -7.910 12.351 -1.209 1.00 0.00 C ATOM 696 O GLU A 52 -8.145 11.571 -2.128 1.00 0.00 O ATOM 697 CB GLU A 52 -8.966 14.181 0.305 1.00 0.00 C ATOM 698 CG GLU A 52 -9.169 15.273 -0.760 1.00 0.00 C ATOM 699 CD GLU A 52 -7.934 15.521 -1.622 1.00 0.00 C ATOM 700 OE1 GLU A 52 -6.896 15.884 -1.027 1.00 0.00 O ATOM 701 OE2 GLU A 52 -8.045 15.322 -2.850 1.00 0.00 O ATOM 0 H GLU A 52 -10.164 11.703 1.154 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.919 12.666 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.722 14.302 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.996 14.329 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.001 14.990 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.450 16.203 -0.266 1.00 0.00 H new ATOM 708 N ARG A 53 -6.694 12.876 -1.016 1.00 0.00 N ATOM 709 CA ARG A 53 -5.539 12.625 -1.875 1.00 0.00 C ATOM 710 C ARG A 53 -5.337 11.134 -2.139 1.00 0.00 C ATOM 711 O ARG A 53 -4.974 10.715 -3.237 1.00 0.00 O ATOM 712 CB ARG A 53 -4.278 13.242 -1.241 1.00 0.00 C ATOM 713 CG ARG A 53 -3.802 12.536 0.045 1.00 0.00 C ATOM 714 CD ARG A 53 -2.692 13.349 0.721 1.00 0.00 C ATOM 715 NE ARG A 53 -2.246 12.699 1.964 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.981 12.593 2.404 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.057 13.048 1.699 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.728 12.019 3.583 1.00 0.00 N ATOM 0 H ARG A 53 -6.485 13.502 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.726 13.096 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.471 13.221 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.475 14.290 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.640 12.412 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.436 11.538 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.848 13.457 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.054 14.353 0.941 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.971 12.287 2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.097 13.494 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.004 12.950 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.496 11.660 4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.233 11.939 3.916 1.00 0.00 H new ATOM 732 N LYS A 54 -5.593 10.331 -1.108 1.00 0.00 N ATOM 733 CA LYS A 54 -5.384 8.899 -1.118 1.00 0.00 C ATOM 734 C LYS A 54 -6.402 8.158 -1.996 1.00 0.00 C ATOM 735 O LYS A 54 -6.245 6.962 -2.229 1.00 0.00 O ATOM 736 CB LYS A 54 -5.366 8.424 0.336 1.00 0.00 C ATOM 737 CG LYS A 54 -4.363 9.245 1.163 1.00 0.00 C ATOM 738 CD LYS A 54 -4.126 8.669 2.559 1.00 0.00 C ATOM 739 CE LYS A 54 -3.353 9.634 3.460 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.130 9.041 4.791 1.00 0.00 N ATOM 0 H LYS A 54 -5.962 10.676 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.426 8.663 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.363 8.517 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.099 7.368 0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.414 9.292 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.728 10.268 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.085 8.433 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.574 7.733 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.395 9.879 3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.907 10.567 3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.464 9.633 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.034 8.986 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.734 8.085 4.683 1.00 0.00 H new ATOM 754 N ALA A 55 -7.418 8.851 -2.522 1.00 0.00 N ATOM 755 CA ALA A 55 -8.407 8.271 -3.430 1.00 0.00 C ATOM 756 C ALA A 55 -7.726 7.571 -4.615 1.00 0.00 C ATOM 757 O ALA A 55 -8.164 6.510 -5.063 1.00 0.00 O ATOM 758 CB ALA A 55 -9.365 9.358 -3.923 1.00 0.00 C ATOM 0 H ALA A 55 -7.576 9.839 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.977 7.519 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.098 8.918 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.878 9.804 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.802 10.128 -4.451 1.00 0.00 H new ATOM 764 N MET A 56 -6.639 8.162 -5.122 1.00 0.00 N ATOM 765 CA MET A 56 -5.845 7.571 -6.190 1.00 0.00 C ATOM 766 C MET A 56 -5.384 6.175 -5.754 1.00 0.00 C ATOM 767 O MET A 56 -5.535 5.190 -6.477 1.00 0.00 O ATOM 768 CB MET A 56 -4.649 8.495 -6.468 1.00 0.00 C ATOM 769 CG MET A 56 -3.753 7.986 -7.606 1.00 0.00 C ATOM 770 SD MET A 56 -2.219 8.919 -7.856 1.00 0.00 S ATOM 771 CE MET A 56 -2.879 10.545 -8.285 1.00 0.00 C ATOM 0 H MET A 56 -6.289 9.064 -4.799 1.00 0.00 H new ATOM 0 HA MET A 56 -6.428 7.465 -7.105 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.016 9.490 -6.719 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.054 8.594 -5.560 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.498 6.945 -7.408 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.325 8.004 -8.533 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.065 11.195 -8.607 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.602 10.442 -9.094 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.368 10.981 -7.414 1.00 0.00 H new ATOM 781 N MET A 57 -4.829 6.108 -4.542 1.00 0.00 N ATOM 782 CA MET A 57 -4.332 4.883 -3.952 1.00 0.00 C ATOM 783 C MET A 57 -5.482 3.895 -3.805 1.00 0.00 C ATOM 784 O MET A 57 -5.324 2.741 -4.186 1.00 0.00 O ATOM 785 CB MET A 57 -3.656 5.201 -2.617 1.00 0.00 C ATOM 786 CG MET A 57 -2.557 4.192 -2.273 1.00 0.00 C ATOM 787 SD MET A 57 -1.615 4.563 -0.768 1.00 0.00 S ATOM 788 CE MET A 57 -2.172 6.224 -0.301 1.00 0.00 C ATOM 0 H MET A 57 -4.715 6.923 -3.940 1.00 0.00 H new ATOM 0 HA MET A 57 -3.582 4.420 -4.593 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.228 6.203 -2.657 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.404 5.206 -1.824 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.011 3.207 -2.165 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.863 4.134 -3.112 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.723 6.504 0.652 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.871 6.938 -1.068 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.258 6.230 -0.206 1.00 0.00 H new ATOM 798 N THR A 58 -6.633 4.344 -3.286 1.00 0.00 N ATOM 799 CA THR A 58 -7.839 3.528 -3.188 1.00 0.00 C ATOM 800 C THR A 58 -8.117 2.860 -4.535 1.00 0.00 C ATOM 801 O THR A 58 -8.212 1.637 -4.607 1.00 0.00 O ATOM 802 CB THR A 58 -9.029 4.369 -2.696 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.846 4.661 -1.328 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.388 3.686 -2.897 1.00 0.00 C ATOM 0 H THR A 58 -6.748 5.290 -2.922 1.00 0.00 H new ATOM 0 HA THR A 58 -7.687 2.741 -2.449 1.00 0.00 H new ATOM 0 HB THR A 58 -9.049 5.278 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.993 3.850 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.180 4.337 -2.527 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.544 3.491 -3.958 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.407 2.744 -2.349 1.00 0.00 H new ATOM 812 N ASN A 59 -8.223 3.640 -5.616 1.00 0.00 N ATOM 813 CA ASN A 59 -8.509 3.042 -6.915 1.00 0.00 C ATOM 814 C ASN A 59 -7.394 2.086 -7.344 1.00 0.00 C ATOM 815 O ASN A 59 -7.680 1.054 -7.948 1.00 0.00 O ATOM 816 CB ASN A 59 -8.763 4.106 -7.986 1.00 0.00 C ATOM 817 CG ASN A 59 -9.573 3.587 -9.182 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.170 4.386 -9.894 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.647 2.279 -9.439 1.00 0.00 N ATOM 0 H ASN A 59 -8.118 4.655 -5.617 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.426 2.462 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.292 4.945 -7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.806 4.487 -8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.200 1.945 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.150 1.614 -8.846 1.00 0.00 H new ATOM 826 N ALA A 60 -6.131 2.416 -7.063 1.00 0.00 N ATOM 827 CA ALA A 60 -5.018 1.547 -7.420 1.00 0.00 C ATOM 828 C ALA A 60 -5.149 0.197 -6.706 1.00 0.00 C ATOM 829 O ALA A 60 -5.198 -0.851 -7.345 1.00 0.00 O ATOM 830 CB ALA A 60 -3.685 2.236 -7.114 1.00 0.00 C ATOM 0 H ALA A 60 -5.859 3.278 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.042 1.352 -8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.863 1.574 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.613 3.160 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.630 2.465 -6.050 1.00 0.00 H new ATOM 836 N VAL A 61 -5.241 0.207 -5.376 1.00 0.00 N ATOM 837 CA VAL A 61 -5.363 -1.022 -4.608 1.00 0.00 C ATOM 838 C VAL A 61 -6.671 -1.754 -4.938 1.00 0.00 C ATOM 839 O VAL A 61 -6.711 -2.980 -4.869 1.00 0.00 O ATOM 840 CB VAL A 61 -5.172 -0.744 -3.107 1.00 0.00 C ATOM 841 CG1 VAL A 61 -6.355 0.001 -2.495 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.976 -2.039 -2.320 1.00 0.00 C ATOM 0 H VAL A 61 -5.233 1.057 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.563 -1.704 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.281 -0.120 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.168 0.171 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.482 0.959 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.260 -0.594 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.844 -1.806 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.851 -2.676 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.093 -2.559 -2.690 1.00 0.00 H new ATOM 852 N LYS A 62 -7.731 -1.033 -5.334 1.00 0.00 N ATOM 853 CA LYS A 62 -9.009 -1.638 -5.686 1.00 0.00 C ATOM 854 C LYS A 62 -8.846 -2.630 -6.838 1.00 0.00 C ATOM 855 O LYS A 62 -9.687 -3.511 -7.003 1.00 0.00 O ATOM 856 CB LYS A 62 -10.040 -0.545 -6.018 1.00 0.00 C ATOM 857 CG LYS A 62 -11.449 -1.057 -6.362 1.00 0.00 C ATOM 858 CD LYS A 62 -12.082 -1.952 -5.287 1.00 0.00 C ATOM 859 CE LYS A 62 -12.139 -1.256 -3.923 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.864 -2.065 -2.930 1.00 0.00 N ATOM 0 H LYS A 62 -7.719 -0.016 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.379 -2.200 -4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.115 0.132 -5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.668 0.040 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.101 -0.201 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.401 -1.614 -7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.090 -2.231 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.509 -2.875 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.126 -1.066 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.626 -0.287 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.739 -1.649 -1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.876 -2.083 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.490 -3.035 -2.933 1.00 0.00 H new ATOM 874 N LYS A 63 -7.785 -2.508 -7.647 1.00 0.00 N ATOM 875 CA LYS A 63 -7.581 -3.465 -8.719 1.00 0.00 C ATOM 876 C LYS A 63 -7.270 -4.869 -8.159 1.00 0.00 C ATOM 877 O LYS A 63 -7.421 -5.859 -8.872 1.00 0.00 O ATOM 878 CB LYS A 63 -6.456 -3.021 -9.666 1.00 0.00 C ATOM 879 CG LYS A 63 -6.557 -1.596 -10.232 1.00 0.00 C ATOM 880 CD LYS A 63 -7.985 -1.113 -10.510 1.00 0.00 C ATOM 881 CE LYS A 63 -7.969 0.116 -11.427 1.00 0.00 C ATOM 882 NZ LYS A 63 -7.123 1.193 -10.882 1.00 0.00 N ATOM 0 H LYS A 63 -7.079 -1.775 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.510 -3.510 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.508 -3.111 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.420 -3.718 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.086 -0.908 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.985 -1.547 -11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.561 -1.913 -10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.481 -0.867 -9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.603 -0.171 -12.413 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.986 0.484 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.400 2.101 -11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.245 1.242 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.126 0.997 -11.104 1.00 0.00 H new ATOM 896 N ALA A 64 -6.798 -4.956 -6.908 1.00 0.00 N ATOM 897 CA ALA A 64 -6.399 -6.185 -6.239 1.00 0.00 C ATOM 898 C ALA A 64 -7.542 -6.740 -5.378 1.00 0.00 C ATOM 899 O ALA A 64 -8.498 -6.030 -5.077 1.00 0.00 O ATOM 900 CB ALA A 64 -5.170 -5.856 -5.387 1.00 0.00 C ATOM 0 H ALA A 64 -6.682 -4.133 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.159 -6.959 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.837 -6.754 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.369 -5.491 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.428 -5.088 -4.658 1.00 0.00 H new ATOM 906 N SER A 65 -7.438 -8.014 -4.976 1.00 0.00 N ATOM 907 CA SER A 65 -8.422 -8.701 -4.135 1.00 0.00 C ATOM 908 C SER A 65 -7.800 -9.039 -2.777 1.00 0.00 C ATOM 909 O SER A 65 -6.584 -8.969 -2.623 1.00 0.00 O ATOM 910 CB SER A 65 -8.941 -9.954 -4.847 1.00 0.00 C ATOM 911 OG SER A 65 -9.957 -10.562 -4.070 1.00 0.00 O ATOM 0 H SER A 65 -6.649 -8.607 -5.233 1.00 0.00 H new ATOM 0 HA SER A 65 -9.274 -8.044 -3.960 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.331 -9.689 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.124 -10.657 -5.007 1.00 0.00 H new ATOM 0 HG SER A 65 -10.287 -11.362 -4.531 1.00 0.00 H new ATOM 917 N ASP A 66 -8.618 -9.440 -1.801 1.00 0.00 N ATOM 918 CA ASP A 66 -8.187 -9.715 -0.430 1.00 0.00 C ATOM 919 C ASP A 66 -6.897 -10.538 -0.353 1.00 0.00 C ATOM 920 O ASP A 66 -5.989 -10.194 0.401 1.00 0.00 O ATOM 921 CB ASP A 66 -9.314 -10.390 0.359 1.00 0.00 C ATOM 922 CG ASP A 66 -8.890 -10.653 1.802 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.552 -9.663 2.488 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.902 -11.840 2.194 1.00 0.00 O ATOM 0 H ASP A 66 -9.617 -9.585 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.957 -8.751 0.024 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.201 -9.757 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.586 -11.330 -0.121 1.00 0.00 H new ATOM 929 N GLU A 67 -6.815 -11.622 -1.130 1.00 0.00 N ATOM 930 CA GLU A 67 -5.635 -12.478 -1.148 1.00 0.00 C ATOM 931 C GLU A 67 -4.380 -11.671 -1.478 1.00 0.00 C ATOM 932 O GLU A 67 -3.341 -11.800 -0.828 1.00 0.00 O ATOM 933 CB GLU A 67 -5.834 -13.640 -2.130 1.00 0.00 C ATOM 934 CG GLU A 67 -4.791 -14.737 -1.873 1.00 0.00 C ATOM 935 CD GLU A 67 -4.852 -15.837 -2.925 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.928 -16.458 -3.045 1.00 0.00 O ATOM 937 OE2 GLU A 67 -3.813 -16.023 -3.599 1.00 0.00 O ATOM 0 H GLU A 67 -7.560 -11.925 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.496 -12.900 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.838 -14.050 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.747 -13.279 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.794 -14.296 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.955 -15.169 -0.886 1.00 0.00 H new ATOM 944 N GLU A 68 -4.484 -10.842 -2.513 1.00 0.00 N ATOM 945 CA GLU A 68 -3.435 -9.981 -2.950 1.00 0.00 C ATOM 946 C GLU A 68 -3.115 -9.003 -1.829 1.00 0.00 C ATOM 947 O GLU A 68 -1.959 -8.894 -1.461 1.00 0.00 O ATOM 948 CB GLU A 68 -3.930 -9.260 -4.194 1.00 0.00 C ATOM 949 CG GLU A 68 -4.332 -10.165 -5.366 1.00 0.00 C ATOM 950 CD GLU A 68 -3.228 -11.133 -5.786 1.00 0.00 C ATOM 951 OE1 GLU A 68 -3.171 -12.234 -5.192 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.453 -10.764 -6.693 1.00 0.00 O ATOM 0 H GLU A 68 -5.332 -10.763 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.525 -10.530 -3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.789 -8.647 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.149 -8.580 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.219 -10.734 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.605 -9.544 -6.219 1.00 0.00 H new ATOM 959 N LEU A 69 -4.123 -8.320 -1.277 1.00 0.00 N ATOM 960 CA LEU A 69 -3.937 -7.372 -0.177 1.00 0.00 C ATOM 961 C LEU A 69 -3.097 -7.994 0.942 1.00 0.00 C ATOM 962 O LEU A 69 -2.093 -7.413 1.359 1.00 0.00 O ATOM 963 CB LEU A 69 -5.271 -6.862 0.385 1.00 0.00 C ATOM 964 CG LEU A 69 -6.192 -6.214 -0.658 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.341 -5.512 0.054 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.496 -5.179 -1.536 1.00 0.00 C ATOM 0 H LEU A 69 -5.092 -8.410 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.405 -6.514 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.798 -7.695 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.066 -6.136 1.172 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.533 -7.024 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.998 -5.050 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.905 -6.239 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.943 -4.744 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.211 -4.766 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.102 -4.378 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.677 -5.653 -2.078 1.00 0.00 H new ATOM 978 N LYS A 70 -3.496 -9.182 1.410 1.00 0.00 N ATOM 979 CA LYS A 70 -2.780 -9.889 2.462 1.00 0.00 C ATOM 980 C LYS A 70 -1.336 -10.133 2.030 1.00 0.00 C ATOM 981 O LYS A 70 -0.395 -9.849 2.770 1.00 0.00 O ATOM 982 CB LYS A 70 -3.477 -11.217 2.794 1.00 0.00 C ATOM 983 CG LYS A 70 -4.804 -10.980 3.523 1.00 0.00 C ATOM 984 CD LYS A 70 -5.516 -12.276 3.931 1.00 0.00 C ATOM 985 CE LYS A 70 -5.897 -13.124 2.714 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.848 -14.189 3.075 1.00 0.00 N ATOM 0 H LYS A 70 -4.322 -9.673 1.068 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.780 -9.275 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.658 -11.775 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.822 -11.829 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.618 -10.380 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.464 -10.399 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.868 -12.855 4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.413 -12.034 4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.337 -12.486 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.999 -13.567 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.085 -14.744 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.418 -14.812 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.714 -13.764 3.464 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.157 -10.657 0.818 1.00 0.00 N ATOM 1001 CA ALA A 71 0.167 -10.938 0.298 1.00 0.00 C ATOM 1002 C ALA A 71 0.991 -9.670 0.065 1.00 0.00 C ATOM 1003 O ALA A 71 2.212 -9.720 0.165 1.00 0.00 O ATOM 1004 CB ALA A 71 0.034 -11.751 -0.989 1.00 0.00 C ATOM 0 H ALA A 71 -1.918 -10.894 0.182 1.00 0.00 H new ATOM 0 HA ALA A 71 0.710 -11.515 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.025 -11.967 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.483 -12.687 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.535 -11.180 -1.723 1.00 0.00 H new ATOM 1010 N LEU A 72 0.354 -8.540 -0.247 1.00 0.00 N ATOM 1011 CA LEU A 72 1.021 -7.285 -0.521 1.00 0.00 C ATOM 1012 C LEU A 72 1.576 -6.799 0.799 1.00 0.00 C ATOM 1013 O LEU A 72 2.751 -6.463 0.898 1.00 0.00 O ATOM 1014 CB LEU A 72 0.000 -6.320 -1.134 1.00 0.00 C ATOM 1015 CG LEU A 72 0.561 -5.166 -1.980 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.707 -5.585 -2.905 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.585 -4.598 -2.826 1.00 0.00 C ATOM 0 H LEU A 72 -0.662 -8.480 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 72 1.840 -7.375 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.683 -6.898 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.592 -5.892 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 72 0.973 -4.425 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.053 -4.720 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.529 -5.981 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.356 -6.353 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.213 -3.776 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.982 -5.380 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.376 -4.234 -2.170 1.00 0.00 H new ATOM 1029 N ALA A 73 0.716 -6.809 1.816 1.00 0.00 N ATOM 1030 CA ALA A 73 1.128 -6.513 3.177 1.00 0.00 C ATOM 1031 C ALA A 73 2.307 -7.409 3.577 1.00 0.00 C ATOM 1032 O ALA A 73 3.368 -6.908 3.951 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.054 -6.705 4.127 1.00 0.00 C ATOM 0 H ALA A 73 -0.277 -7.021 1.716 1.00 0.00 H new ATOM 0 HA ALA A 73 1.456 -5.475 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.259 -6.482 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.864 -6.034 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.402 -7.737 4.071 1.00 0.00 H new ATOM 1039 N ASP A 74 2.136 -8.734 3.485 1.00 0.00 N ATOM 1040 CA ASP A 74 3.175 -9.691 3.852 1.00 0.00 C ATOM 1041 C ASP A 74 4.488 -9.411 3.116 1.00 0.00 C ATOM 1042 O ASP A 74 5.553 -9.403 3.726 1.00 0.00 O ATOM 1043 CB ASP A 74 2.694 -11.118 3.574 1.00 0.00 C ATOM 1044 CG ASP A 74 3.756 -12.138 3.972 1.00 0.00 C ATOM 1045 OD1 ASP A 74 3.960 -12.298 5.194 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.354 -12.730 3.047 1.00 0.00 O ATOM 0 H ASP A 74 1.274 -9.167 3.154 1.00 0.00 H new ATOM 0 HA ASP A 74 3.372 -9.582 4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.774 -11.310 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.458 -11.227 2.515 1.00 0.00 H new ATOM 1051 N TYR A 75 4.418 -9.196 1.803 1.00 0.00 N ATOM 1052 CA TYR A 75 5.575 -8.887 0.979 1.00 0.00 C ATOM 1053 C TYR A 75 6.250 -7.614 1.484 1.00 0.00 C ATOM 1054 O TYR A 75 7.424 -7.614 1.852 1.00 0.00 O ATOM 1055 CB TYR A 75 5.098 -8.727 -0.467 1.00 0.00 C ATOM 1056 CG TYR A 75 6.178 -8.385 -1.470 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.984 -9.403 -2.011 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.311 -7.064 -1.935 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.930 -9.099 -3.005 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.259 -6.762 -2.925 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.070 -7.776 -3.458 1.00 0.00 C ATOM 1062 OH TYR A 75 8.975 -7.474 -4.431 1.00 0.00 O ATOM 0 H TYR A 75 3.543 -9.233 1.280 1.00 0.00 H new ATOM 0 HA TYR A 75 6.311 -9.689 1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.617 -9.654 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.337 -7.947 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.876 -10.419 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.684 -6.283 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.548 -9.881 -3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.365 -5.747 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 75 8.939 -6.514 -4.625 1.00 0.00 H new ATOM 1072 N MET A 76 5.486 -6.522 1.513 1.00 0.00 N ATOM 1073 CA MET A 76 5.991 -5.224 1.923 1.00 0.00 C ATOM 1074 C MET A 76 6.594 -5.239 3.328 1.00 0.00 C ATOM 1075 O MET A 76 7.548 -4.511 3.580 1.00 0.00 O ATOM 1076 CB MET A 76 4.936 -4.132 1.734 1.00 0.00 C ATOM 1077 CG MET A 76 4.725 -3.835 0.239 1.00 0.00 C ATOM 1078 SD MET A 76 4.202 -2.148 -0.140 1.00 0.00 S ATOM 1079 CE MET A 76 2.507 -2.212 0.434 1.00 0.00 C ATOM 0 H MET A 76 4.500 -6.519 1.252 1.00 0.00 H new ATOM 0 HA MET A 76 6.821 -4.978 1.261 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.994 -4.447 2.184 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.248 -3.224 2.250 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.656 -4.038 -0.291 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.978 -4.527 -0.151 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.190 -1.216 0.744 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.863 -2.563 -0.372 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.435 -2.896 1.280 1.00 0.00 H new ATOM 1089 N SER A 77 6.103 -6.085 4.238 1.00 0.00 N ATOM 1090 CA SER A 77 6.682 -6.232 5.558 1.00 0.00 C ATOM 1091 C SER A 77 8.182 -6.560 5.526 1.00 0.00 C ATOM 1092 O SER A 77 8.846 -6.405 6.547 1.00 0.00 O ATOM 1093 CB SER A 77 5.939 -7.342 6.289 1.00 0.00 C ATOM 1094 OG SER A 77 4.569 -7.037 6.415 1.00 0.00 O ATOM 0 H SER A 77 5.293 -6.683 4.072 1.00 0.00 H new ATOM 0 HA SER A 77 6.581 -5.276 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.058 -8.281 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.375 -7.486 7.277 1.00 0.00 H new ATOM 0 HG SER A 77 4.128 -7.150 5.547 1.00 0.00 H new ATOM 1100 N LYS A 78 8.707 -7.049 4.396 1.00 0.00 N ATOM 1101 CA LYS A 78 10.105 -7.429 4.266 1.00 0.00 C ATOM 1102 C LYS A 78 10.978 -6.295 3.711 1.00 0.00 C ATOM 1103 O LYS A 78 12.166 -6.525 3.493 1.00 0.00 O ATOM 1104 CB LYS A 78 10.203 -8.675 3.371 1.00 0.00 C ATOM 1105 CG LYS A 78 9.236 -9.783 3.812 1.00 0.00 C ATOM 1106 CD LYS A 78 9.460 -11.052 2.982 1.00 0.00 C ATOM 1107 CE LYS A 78 8.419 -12.129 3.314 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.070 -11.743 2.865 1.00 0.00 N ATOM 0 H LYS A 78 8.164 -7.190 3.544 1.00 0.00 H new ATOM 0 HA LYS A 78 10.488 -7.650 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.988 -8.397 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.224 -9.056 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.383 -10.002 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.207 -9.443 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.408 -10.808 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.461 -11.440 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.705 -13.069 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.408 -12.304 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.411 -12.530 3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.753 -10.908 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.093 -11.518 1.850 1.00 0.00 H new ATOM 1122 N LEU A 79 10.424 -5.107 3.439 1.00 0.00 N ATOM 1123 CA LEU A 79 11.120 -3.996 2.871 1.00 0.00 C ATOM 1124 C LEU A 79 11.745 -3.125 3.959 1.00 0.00 C ATOM 1125 O LEU A 79 12.986 -2.982 3.940 1.00 0.00 O ATOM 1126 CB LEU A 79 10.038 -3.234 2.125 1.00 0.00 C ATOM 1127 CG LEU A 79 9.490 -3.973 0.894 1.00 0.00 C ATOM 1128 CD1 LEU A 79 8.443 -3.084 0.214 1.00 0.00 C ATOM 1129 CD2 LEU A 79 10.550 -4.381 -0.135 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.968 -2.573 4.769 1.00 0.00 O ATOM 0 H LEU A 79 9.441 -4.908 3.623 1.00 0.00 H new ATOM 0 HA LEU A 79 11.944 -4.303 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.215 -3.029 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.438 -2.270 1.810 1.00 0.00 H new ATOM 0 HG LEU A 79 9.062 -4.905 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.045 -3.596 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.632 -2.877 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.906 -2.146 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.070 -4.896 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.060 -3.491 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.275 -5.047 0.334 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.691 4.100 -0.689 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.134 4.645 2.661 1.00 5.52 C HETATM 1145 CHB HEC A 80 -0.067 0.810 -0.017 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.746 3.461 -4.013 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.909 7.450 -1.247 1.00 10.53 C HETATM 1148 NA HEC A 80 0.650 2.947 0.960 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.959 3.334 2.247 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.965 2.195 3.129 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.405 1.174 2.433 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.285 1.618 1.060 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.020 -0.187 2.934 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.436 2.222 4.560 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.327 2.539 5.560 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.878 2.907 6.929 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.618 3.884 7.004 1.00 18.65 O HETATM 1158 O2A HEC A 80 0.578 2.203 7.890 1.00 17.21 O HETATM 1159 NB HEC A 80 0.387 2.467 -1.797 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.055 1.196 -1.353 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.069 0.301 -2.476 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.228 1.014 -3.599 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.470 2.382 -3.173 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.406 -1.160 -2.353 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.321 0.504 -5.022 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.975 -0.120 -5.560 1.00 6.48 C HETATM 1167 NC HEC A 80 0.837 5.235 -2.310 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.841 4.798 -3.618 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.021 5.919 -4.518 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.292 7.009 -3.737 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.010 6.606 -2.362 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.994 5.796 -6.023 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.825 8.373 -4.146 1.00 3.39 C HETATM 1174 CBC HEC A 80 1.338 8.953 -5.480 1.00 10.94 C HETATM 1175 ND HEC A 80 0.806 5.716 0.488 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.794 7.029 0.080 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.569 7.887 1.228 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.598 7.099 2.344 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.881 5.757 1.871 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.257 9.356 1.127 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.253 7.521 3.767 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.796 6.761 4.996 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.431 7.533 6.257 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.248 8.340 6.693 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.673 7.333 6.763 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.076 9.868 0.621 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.663 9.494 0.560 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.132 9.771 2.127 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.783 5.117 -6.347 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.027 5.405 -6.339 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.153 6.777 -6.471 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.354 -1.660 -1.753 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.378 -1.270 -1.872 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.439 -1.611 -3.345 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.903 -0.696 3.320 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.718 -0.086 3.730 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.406 -0.769 2.116 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.374 5.757 5.034 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.878 6.650 4.922 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 1.615 8.281 -6.292 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 0.254 9.064 -5.455 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 1.798 9.927 -5.643 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.256 -0.969 -4.937 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.772 0.623 -5.541 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.818 -0.458 -6.584 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.278 3.362 5.180 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.332 1.676 5.655 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.569 8.559 3.873 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.834 7.509 3.844 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.873 1.255 4.809 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.228 2.965 4.660 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.921 8.524 -1.431 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.901 3.242 -5.069 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.462 -0.184 0.195 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.495 4.814 3.676 1.00 5.52 H new