USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=29 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 135:sc= 2.07 USER MOD Set 1.2: A 49 TYR OH : rot 32:sc= 1.93 USER MOD Set 1.3: A 54 LYS NZ :NH3+ 170:sc= 1.74 (180deg=0.609) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0.584 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 139:sc= 0.703 (180deg=-0.0208) USER MOD Set 3.1: A 41 MET CE :methyl 149:sc= -0.301 (180deg=-1.29) USER MOD Set 3.2: A 76 MET CE :methyl -164:sc= -0.616 (180deg=-0.632) USER MOD Single : A 1 ALA N :NH3+ 168:sc= 1.26 (180deg=0.772!) USER MOD Single : A 7 TYR OH : rot -121:sc= 1.2 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= 0.922 (180deg=0.69) USER MOD Single : A 9 SER OG : rot 80:sc= 0.935 USER MOD Single : A 19 SER OG : rot 60:sc= 0.867 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -1.32 (180deg=-1.77!) USER MOD Single : A 23 MET CE :methyl -174:sc= 0 (180deg=-0.0236) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 0.237 (180deg=-0.183) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 1.6 (180deg=0.981) USER MOD Single : A 32 GLN : amide:sc= 0.0833 K(o=0.083,f=-3.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -115:sc= 0.899 (180deg=0.399) USER MOD Single : A 48 SER OG : rot -93:sc= 1.03 USER MOD Single : A 56 MET CE :methyl 171:sc= 0 (180deg=-0.0834) USER MOD Single : A 57 MET CE :methyl 176:sc= -2.23 (180deg=-2.28) USER MOD Single : A 58 THR OG1 : rot -67:sc= 1.12 USER MOD Single : A 59 ASN : amide:sc= -0.0855 X(o=-0.086,f=-0.047) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0819) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc=-0.00504 (180deg=-0.0706) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 0.827 (180deg=0.56) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 61:sc= 0.739 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 0.508 (180deg=0.333) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.976 -13.413 -5.838 1.00 0.00 N ATOM 2 CA ALA A 1 0.455 -13.383 -6.170 1.00 0.00 C ATOM 3 C ALA A 1 1.205 -12.848 -4.956 1.00 0.00 C ATOM 4 O ALA A 1 0.565 -12.266 -4.085 1.00 0.00 O ATOM 5 CB ALA A 1 0.719 -12.511 -7.403 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.530 -13.578 -6.703 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.159 -14.179 -5.159 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.254 -12.504 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 1 0.801 -14.388 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.786 -12.508 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.172 -12.912 -8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.386 -11.492 -7.206 1.00 0.00 H new ATOM 13 N ASP A 2 2.528 -12.999 -4.902 1.00 0.00 N ATOM 14 CA ASP A 2 3.357 -12.617 -3.760 1.00 0.00 C ATOM 15 C ASP A 2 3.541 -11.102 -3.588 1.00 0.00 C ATOM 16 O ASP A 2 4.631 -10.666 -3.228 1.00 0.00 O ATOM 17 CB ASP A 2 4.722 -13.317 -3.889 1.00 0.00 C ATOM 18 CG ASP A 2 5.549 -12.777 -5.058 1.00 0.00 C ATOM 19 OD1 ASP A 2 4.983 -12.730 -6.174 1.00 0.00 O ATOM 20 OD2 ASP A 2 6.723 -12.422 -4.821 1.00 0.00 O ATOM 0 H ASP A 2 3.066 -13.400 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 2 2.832 -12.940 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.282 -13.189 -2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.567 -14.388 -4.022 1.00 0.00 H new ATOM 25 N GLY A 3 2.519 -10.279 -3.847 1.00 0.00 N ATOM 26 CA GLY A 3 2.609 -8.835 -3.682 1.00 0.00 C ATOM 27 C GLY A 3 3.406 -8.155 -4.798 1.00 0.00 C ATOM 28 O GLY A 3 2.901 -7.236 -5.437 1.00 0.00 O ATOM 0 H GLY A 3 1.609 -10.601 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.604 -8.415 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.076 -8.613 -2.722 1.00 0.00 H new ATOM 32 N ALA A 4 4.635 -8.613 -5.046 1.00 0.00 N ATOM 33 CA ALA A 4 5.586 -8.086 -6.023 1.00 0.00 C ATOM 34 C ALA A 4 4.917 -7.635 -7.325 1.00 0.00 C ATOM 35 O ALA A 4 5.102 -6.502 -7.770 1.00 0.00 O ATOM 36 CB ALA A 4 6.652 -9.149 -6.305 1.00 0.00 C ATOM 0 H ALA A 4 5.015 -9.411 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 4 6.045 -7.195 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.366 -8.764 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.174 -9.395 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.176 -10.045 -6.703 1.00 0.00 H new ATOM 42 N ALA A 5 4.123 -8.534 -7.914 1.00 0.00 N ATOM 43 CA ALA A 5 3.403 -8.307 -9.163 1.00 0.00 C ATOM 44 C ALA A 5 2.576 -7.015 -9.139 1.00 0.00 C ATOM 45 O ALA A 5 2.425 -6.364 -10.167 1.00 0.00 O ATOM 46 CB ALA A 5 2.528 -9.525 -9.472 1.00 0.00 C ATOM 0 H ALA A 5 3.961 -9.462 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 5 4.136 -8.178 -9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.989 -9.358 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.157 -10.410 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.814 -9.675 -8.662 1.00 0.00 H new ATOM 52 N LEU A 6 2.019 -6.657 -7.982 1.00 0.00 N ATOM 53 CA LEU A 6 1.262 -5.440 -7.773 1.00 0.00 C ATOM 54 C LEU A 6 2.237 -4.313 -7.432 1.00 0.00 C ATOM 55 O LEU A 6 2.231 -3.254 -8.065 1.00 0.00 O ATOM 56 CB LEU A 6 0.280 -5.651 -6.618 1.00 0.00 C ATOM 57 CG LEU A 6 -0.830 -6.658 -6.942 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.392 -8.116 -7.120 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.843 -6.615 -5.801 1.00 0.00 C ATOM 0 H LEU A 6 2.089 -7.231 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 6 0.702 -5.180 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.829 -5.996 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.172 -4.695 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.227 -6.352 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.262 -8.732 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.323 -8.184 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.075 -8.470 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.648 -7.322 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.350 -6.882 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.256 -5.610 -5.719 1.00 0.00 H new ATOM 71 N TYR A 7 3.085 -4.569 -6.428 1.00 0.00 N ATOM 72 CA TYR A 7 4.058 -3.635 -5.877 1.00 0.00 C ATOM 73 C TYR A 7 4.849 -2.904 -6.950 1.00 0.00 C ATOM 74 O TYR A 7 5.078 -1.701 -6.832 1.00 0.00 O ATOM 75 CB TYR A 7 5.021 -4.357 -4.934 1.00 0.00 C ATOM 76 CG TYR A 7 5.829 -3.403 -4.075 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.169 -2.512 -3.207 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.213 -3.269 -4.284 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.882 -1.477 -2.579 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.935 -2.274 -3.605 1.00 0.00 C ATOM 81 CZ TYR A 7 7.268 -1.362 -2.770 1.00 0.00 C ATOM 82 OH TYR A 7 7.951 -0.351 -2.168 1.00 0.00 O ATOM 0 H TYR A 7 3.108 -5.476 -5.961 1.00 0.00 H new ATOM 0 HA TYR A 7 3.488 -2.888 -5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.455 -5.029 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.701 -4.975 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.111 -2.625 -3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.722 -3.932 -4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.363 -0.769 -1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.006 -2.210 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 7 8.401 0.191 -2.849 1.00 0.00 H new ATOM 92 N LYS A 8 5.240 -3.632 -7.999 1.00 0.00 N ATOM 93 CA LYS A 8 5.970 -3.105 -9.150 1.00 0.00 C ATOM 94 C LYS A 8 5.347 -1.831 -9.744 1.00 0.00 C ATOM 95 O LYS A 8 6.003 -1.124 -10.502 1.00 0.00 O ATOM 96 CB LYS A 8 6.125 -4.209 -10.198 1.00 0.00 C ATOM 97 CG LYS A 8 4.794 -4.607 -10.848 1.00 0.00 C ATOM 98 CD LYS A 8 4.630 -3.972 -12.237 1.00 0.00 C ATOM 99 CE LYS A 8 3.233 -4.222 -12.817 1.00 0.00 C ATOM 100 NZ LYS A 8 2.925 -5.658 -12.929 1.00 0.00 N ATOM 0 H LYS A 8 5.051 -4.632 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 8 6.955 -2.794 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.815 -3.874 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.572 -5.086 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.741 -5.692 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.969 -4.298 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.809 -2.899 -12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.382 -4.378 -12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.487 -3.741 -12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.162 -3.759 -13.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.099 -5.789 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.743 -6.158 -13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.716 -6.043 -11.986 1.00 0.00 H new ATOM 114 N SER A 9 4.077 -1.558 -9.436 1.00 0.00 N ATOM 115 CA SER A 9 3.382 -0.337 -9.817 1.00 0.00 C ATOM 116 C SER A 9 3.606 0.737 -8.740 1.00 0.00 C ATOM 117 O SER A 9 3.967 1.878 -9.025 1.00 0.00 O ATOM 118 CB SER A 9 1.880 -0.635 -9.959 1.00 0.00 C ATOM 119 OG SER A 9 1.660 -1.939 -10.465 1.00 0.00 O ATOM 0 H SER A 9 3.493 -2.200 -8.901 1.00 0.00 H new ATOM 0 HA SER A 9 3.769 0.028 -10.768 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.393 -0.532 -8.989 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.423 0.098 -10.624 1.00 0.00 H new ATOM 0 HG SER A 9 1.751 -2.591 -9.739 1.00 0.00 H new ATOM 125 N CYS A 10 3.396 0.344 -7.479 1.00 0.00 N ATOM 126 CA CYS A 10 3.449 1.189 -6.294 1.00 0.00 C ATOM 127 C CYS A 10 4.832 1.810 -6.129 1.00 0.00 C ATOM 128 O CYS A 10 4.951 2.929 -5.617 1.00 0.00 O ATOM 129 CB CYS A 10 3.054 0.385 -5.044 1.00 0.00 C ATOM 130 SG CYS A 10 1.598 -0.701 -5.164 1.00 0.00 S ATOM 0 H CYS A 10 3.173 -0.625 -7.252 1.00 0.00 H new ATOM 0 HA CYS A 10 2.733 2.001 -6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.908 -0.229 -4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.880 1.091 -4.232 1.00 0.00 H new ATOM 135 N ILE A 11 5.878 1.101 -6.583 1.00 0.00 N ATOM 136 CA ILE A 11 7.242 1.614 -6.533 1.00 0.00 C ATOM 137 C ILE A 11 7.338 3.027 -7.111 1.00 0.00 C ATOM 138 O ILE A 11 8.212 3.778 -6.689 1.00 0.00 O ATOM 139 CB ILE A 11 8.275 0.705 -7.222 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.027 0.616 -8.733 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.330 -0.673 -6.563 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.991 -0.335 -9.448 1.00 0.00 C ATOM 0 H ILE A 11 5.797 0.169 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 11 7.491 1.637 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 11 9.257 1.160 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.003 0.284 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.118 1.611 -9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.069 -1.291 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.609 -0.564 -5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.351 -1.148 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.762 -0.352 -10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.015 0.008 -9.303 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.883 -1.339 -9.037 1.00 0.00 H new ATOM 154 N GLY A 12 6.448 3.388 -8.051 1.00 0.00 N ATOM 155 CA GLY A 12 6.384 4.719 -8.637 1.00 0.00 C ATOM 156 C GLY A 12 6.504 5.816 -7.576 1.00 0.00 C ATOM 157 O GLY A 12 7.097 6.860 -7.841 1.00 0.00 O ATOM 0 H GLY A 12 5.747 2.748 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.184 4.832 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.442 4.834 -9.174 1.00 0.00 H new ATOM 161 N CYS A 13 5.944 5.578 -6.384 1.00 0.00 N ATOM 162 CA CYS A 13 6.046 6.493 -5.253 1.00 0.00 C ATOM 163 C CYS A 13 6.854 5.849 -4.133 1.00 0.00 C ATOM 164 O CYS A 13 7.683 6.504 -3.510 1.00 0.00 O ATOM 165 CB CYS A 13 4.655 6.827 -4.722 1.00 0.00 C ATOM 166 SG CYS A 13 3.729 8.050 -5.688 1.00 0.00 S ATOM 0 H CYS A 13 5.404 4.737 -6.181 1.00 0.00 H new ATOM 0 HA CYS A 13 6.541 7.404 -5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.071 5.908 -4.676 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.753 7.194 -3.700 1.00 0.00 H new ATOM 171 N HIS A 14 6.589 4.571 -3.852 1.00 0.00 N ATOM 172 CA HIS A 14 7.163 3.857 -2.728 1.00 0.00 C ATOM 173 C HIS A 14 8.631 3.465 -2.860 1.00 0.00 C ATOM 174 O HIS A 14 9.296 3.213 -1.855 1.00 0.00 O ATOM 175 CB HIS A 14 6.286 2.643 -2.480 1.00 0.00 C ATOM 176 CG HIS A 14 5.032 3.035 -1.749 1.00 0.00 C ATOM 177 ND1 HIS A 14 5.076 3.577 -0.478 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.730 3.185 -2.151 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.825 3.907 -0.137 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.947 3.683 -1.109 1.00 0.00 N ATOM 0 H HIS A 14 5.957 4.001 -4.414 1.00 0.00 H new ATOM 0 HA HIS A 14 7.176 4.542 -1.880 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.028 2.174 -3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.836 1.903 -1.898 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.910 3.702 0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.361 2.950 -3.138 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.557 4.313 0.827 1.00 0.00 H new ATOM 188 N GLY A 15 9.138 3.407 -4.082 1.00 0.00 N ATOM 189 CA GLY A 15 10.514 3.023 -4.330 1.00 0.00 C ATOM 190 C GLY A 15 10.688 1.521 -4.119 1.00 0.00 C ATOM 191 O GLY A 15 9.728 0.804 -3.840 1.00 0.00 O ATOM 0 H GLY A 15 8.607 3.625 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.796 3.290 -5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.178 3.571 -3.662 1.00 0.00 H new ATOM 195 N ALA A 16 11.921 1.030 -4.263 1.00 0.00 N ATOM 196 CA ALA A 16 12.204 -0.386 -4.094 1.00 0.00 C ATOM 197 C ALA A 16 12.057 -0.782 -2.622 1.00 0.00 C ATOM 198 O ALA A 16 11.015 -1.283 -2.210 1.00 0.00 O ATOM 199 CB ALA A 16 13.592 -0.714 -4.659 1.00 0.00 C ATOM 0 H ALA A 16 12.736 1.597 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 16 11.480 -0.977 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.796 -1.777 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.621 -0.467 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.347 -0.132 -4.130 1.00 0.00 H new ATOM 205 N ASP A 17 13.078 -0.508 -1.807 1.00 0.00 N ATOM 206 CA ASP A 17 13.150 -0.901 -0.403 1.00 0.00 C ATOM 207 C ASP A 17 12.413 0.101 0.484 1.00 0.00 C ATOM 208 O ASP A 17 12.992 0.673 1.407 1.00 0.00 O ATOM 209 CB ASP A 17 14.616 -1.064 0.018 1.00 0.00 C ATOM 210 CG ASP A 17 15.373 -2.032 -0.884 1.00 0.00 C ATOM 211 OD1 ASP A 17 15.875 -1.552 -1.925 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.432 -3.228 -0.529 1.00 0.00 O ATOM 0 H ASP A 17 13.901 0.009 -2.118 1.00 0.00 H new ATOM 0 HA ASP A 17 12.652 -1.863 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 17 15.108 -0.092 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.659 -1.421 1.047 1.00 0.00 H new ATOM 217 N GLY A 18 11.163 0.375 0.107 1.00 0.00 N ATOM 218 CA GLY A 18 10.145 1.210 0.748 1.00 0.00 C ATOM 219 C GLY A 18 10.536 2.584 1.323 1.00 0.00 C ATOM 220 O GLY A 18 9.664 3.282 1.844 1.00 0.00 O ATOM 0 H GLY A 18 10.798 -0.030 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.353 1.376 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.712 0.628 1.561 1.00 0.00 H new ATOM 224 N SER A 19 11.795 3.016 1.219 1.00 0.00 N ATOM 225 CA SER A 19 12.339 4.227 1.826 1.00 0.00 C ATOM 226 C SER A 19 11.980 5.492 1.042 1.00 0.00 C ATOM 227 O SER A 19 12.844 6.312 0.740 1.00 0.00 O ATOM 228 CB SER A 19 13.863 4.079 1.934 1.00 0.00 C ATOM 229 OG SER A 19 14.218 2.886 2.610 1.00 0.00 O ATOM 0 H SER A 19 12.495 2.504 0.682 1.00 0.00 H new ATOM 0 HA SER A 19 11.894 4.342 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.302 4.078 0.936 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.277 4.937 2.464 1.00 0.00 H new ATOM 0 HG SER A 19 13.859 2.115 2.123 1.00 0.00 H new ATOM 235 N LYS A 20 10.706 5.638 0.697 1.00 0.00 N ATOM 236 CA LYS A 20 10.207 6.766 -0.070 1.00 0.00 C ATOM 237 C LYS A 20 10.083 8.069 0.725 1.00 0.00 C ATOM 238 O LYS A 20 10.119 8.095 1.953 1.00 0.00 O ATOM 239 CB LYS A 20 8.827 6.410 -0.627 1.00 0.00 C ATOM 240 CG LYS A 20 7.848 5.987 0.482 1.00 0.00 C ATOM 241 CD LYS A 20 6.457 6.586 0.234 1.00 0.00 C ATOM 242 CE LYS A 20 5.534 6.375 1.437 1.00 0.00 C ATOM 243 NZ LYS A 20 5.956 7.194 2.583 1.00 0.00 N ATOM 0 H LYS A 20 9.982 4.964 0.948 1.00 0.00 H new ATOM 0 HA LYS A 20 10.941 6.948 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.420 7.268 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.926 5.601 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.780 4.900 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.224 6.316 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.550 7.652 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.015 6.128 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.510 6.630 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.535 5.322 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.209 7.190 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.831 6.802 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.127 8.170 2.268 1.00 0.00 H new ATOM 257 N ALA A 21 9.843 9.135 -0.039 1.00 0.00 N ATOM 258 CA ALA A 21 9.515 10.488 0.375 1.00 0.00 C ATOM 259 C ALA A 21 8.619 10.994 -0.757 1.00 0.00 C ATOM 260 O ALA A 21 9.037 11.798 -1.584 1.00 0.00 O ATOM 261 CB ALA A 21 10.793 11.316 0.545 1.00 0.00 C ATOM 0 H ALA A 21 9.878 9.060 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 21 9.014 10.552 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.532 12.328 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.427 10.856 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.330 11.354 -0.403 1.00 0.00 H new ATOM 267 N ALA A 22 7.423 10.399 -0.839 1.00 0.00 N ATOM 268 CA ALA A 22 6.452 10.620 -1.902 1.00 0.00 C ATOM 269 C ALA A 22 5.714 11.953 -1.722 1.00 0.00 C ATOM 270 O ALA A 22 6.345 12.981 -1.489 1.00 0.00 O ATOM 271 CB ALA A 22 5.532 9.391 -1.976 1.00 0.00 C ATOM 0 H ALA A 22 7.100 9.729 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 22 6.950 10.720 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.796 9.535 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.127 8.504 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.020 9.262 -1.022 1.00 0.00 H new ATOM 277 N MET A 23 4.381 11.958 -1.844 1.00 0.00 N ATOM 278 CA MET A 23 3.575 13.168 -1.705 1.00 0.00 C ATOM 279 C MET A 23 3.550 13.669 -0.249 1.00 0.00 C ATOM 280 O MET A 23 2.544 13.558 0.447 1.00 0.00 O ATOM 281 CB MET A 23 2.180 12.962 -2.329 1.00 0.00 C ATOM 282 CG MET A 23 1.377 11.779 -1.768 1.00 0.00 C ATOM 283 SD MET A 23 -0.257 11.509 -2.505 1.00 0.00 S ATOM 284 CE MET A 23 -1.160 12.918 -1.826 1.00 0.00 C ATOM 0 H MET A 23 3.834 11.120 -2.042 1.00 0.00 H new ATOM 0 HA MET A 23 4.043 13.975 -2.270 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.599 13.873 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.298 12.822 -3.404 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.967 10.871 -1.897 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.250 11.927 -0.696 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.213 12.841 -2.098 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.065 12.922 -0.740 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.748 13.843 -2.230 1.00 0.00 H new ATOM 294 N GLY A 24 4.666 14.247 0.199 1.00 0.00 N ATOM 295 CA GLY A 24 4.855 14.769 1.543 1.00 0.00 C ATOM 296 C GLY A 24 5.612 13.765 2.411 1.00 0.00 C ATOM 297 O GLY A 24 5.949 12.667 1.965 1.00 0.00 O ATOM 0 H GLY A 24 5.490 14.366 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.407 15.708 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.887 14.989 1.993 1.00 0.00 H new ATOM 301 N SER A 25 5.884 14.145 3.664 1.00 0.00 N ATOM 302 CA SER A 25 6.601 13.337 4.641 1.00 0.00 C ATOM 303 C SER A 25 5.742 12.177 5.155 1.00 0.00 C ATOM 304 O SER A 25 5.434 12.090 6.341 1.00 0.00 O ATOM 305 CB SER A 25 7.043 14.249 5.787 1.00 0.00 C ATOM 306 OG SER A 25 7.621 15.429 5.259 1.00 0.00 O ATOM 0 H SER A 25 5.600 15.053 4.032 1.00 0.00 H new ATOM 0 HA SER A 25 7.474 12.887 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.189 14.500 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.763 13.731 6.420 1.00 0.00 H new ATOM 0 HG SER A 25 7.902 16.013 5.994 1.00 0.00 H new ATOM 312 N ALA A 26 5.355 11.289 4.246 1.00 0.00 N ATOM 313 CA ALA A 26 4.537 10.124 4.532 1.00 0.00 C ATOM 314 C ALA A 26 5.388 9.040 5.194 1.00 0.00 C ATOM 315 O ALA A 26 6.586 8.942 4.926 1.00 0.00 O ATOM 316 CB ALA A 26 3.923 9.644 3.217 1.00 0.00 C ATOM 0 H ALA A 26 5.611 11.365 3.262 1.00 0.00 H new ATOM 0 HA ALA A 26 3.736 10.370 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.302 8.768 3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.311 10.438 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.718 9.383 2.518 1.00 0.00 H new ATOM 322 N LYS A 27 4.780 8.209 6.046 1.00 0.00 N ATOM 323 CA LYS A 27 5.493 7.130 6.713 1.00 0.00 C ATOM 324 C LYS A 27 5.965 6.131 5.653 1.00 0.00 C ATOM 325 O LYS A 27 5.136 5.645 4.882 1.00 0.00 O ATOM 326 CB LYS A 27 4.592 6.422 7.735 1.00 0.00 C ATOM 327 CG LYS A 27 4.089 7.375 8.828 1.00 0.00 C ATOM 328 CD LYS A 27 3.454 6.609 10.000 1.00 0.00 C ATOM 329 CE LYS A 27 2.308 5.680 9.580 1.00 0.00 C ATOM 330 NZ LYS A 27 1.238 6.406 8.875 1.00 0.00 N ATOM 0 H LYS A 27 3.791 8.269 6.287 1.00 0.00 H new ATOM 0 HA LYS A 27 6.346 7.543 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.739 5.981 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.144 5.603 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.919 7.979 9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.358 8.063 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.224 6.019 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.080 7.326 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.698 4.893 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.894 5.193 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.821 5.790 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.503 6.686 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.634 7.255 8.424 1.00 0.00 H new ATOM 344 N PRO A 28 7.264 5.815 5.567 1.00 0.00 N ATOM 345 CA PRO A 28 7.754 4.873 4.581 1.00 0.00 C ATOM 346 C PRO A 28 7.232 3.478 4.917 1.00 0.00 C ATOM 347 O PRO A 28 7.545 2.944 5.974 1.00 0.00 O ATOM 348 CB PRO A 28 9.281 4.967 4.644 1.00 0.00 C ATOM 349 CG PRO A 28 9.552 5.419 6.079 1.00 0.00 C ATOM 350 CD PRO A 28 8.348 6.303 6.405 1.00 0.00 C ATOM 0 HA PRO A 28 7.413 5.090 3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.751 4.007 4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.669 5.681 3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.624 4.571 6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.489 5.971 6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.087 6.236 7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.563 7.351 6.196 1.00 0.00 H new ATOM 358 N VAL A 29 6.436 2.906 4.009 1.00 0.00 N ATOM 359 CA VAL A 29 5.843 1.572 4.088 1.00 0.00 C ATOM 360 C VAL A 29 6.757 0.525 4.719 1.00 0.00 C ATOM 361 O VAL A 29 6.284 -0.351 5.441 1.00 0.00 O ATOM 362 CB VAL A 29 5.455 1.093 2.680 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.060 1.615 2.333 1.00 0.00 C ATOM 364 CG2 VAL A 29 6.460 1.458 1.579 1.00 0.00 C ATOM 0 H VAL A 29 6.175 3.391 3.151 1.00 0.00 H new ATOM 0 HA VAL A 29 4.971 1.671 4.734 1.00 0.00 H new ATOM 0 HB VAL A 29 5.461 0.004 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.783 1.276 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.339 1.236 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.062 2.705 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.103 1.080 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.563 2.542 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.428 1.012 1.808 1.00 0.00 H new ATOM 374 N LYS A 30 8.035 0.604 4.348 1.00 0.00 N ATOM 375 CA LYS A 30 9.151 -0.222 4.766 1.00 0.00 C ATOM 376 C LYS A 30 8.945 -0.847 6.148 1.00 0.00 C ATOM 377 O LYS A 30 9.318 -0.276 7.171 1.00 0.00 O ATOM 378 CB LYS A 30 10.374 0.688 4.730 1.00 0.00 C ATOM 379 CG LYS A 30 11.675 -0.109 4.782 1.00 0.00 C ATOM 380 CD LYS A 30 12.869 0.829 4.961 1.00 0.00 C ATOM 381 CE LYS A 30 14.192 0.057 4.896 1.00 0.00 C ATOM 382 NZ LYS A 30 14.354 -0.652 3.614 1.00 0.00 N ATOM 0 H LYS A 30 8.336 1.318 3.684 1.00 0.00 H new ATOM 0 HA LYS A 30 9.266 -1.077 4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.353 1.290 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.337 1.380 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.639 -0.823 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.792 -0.686 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.853 1.595 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.791 1.343 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.023 0.749 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.234 -0.661 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.352 -0.916 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.767 -1.510 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.058 -0.031 2.834 1.00 0.00 H new ATOM 396 N GLY A 31 8.338 -2.029 6.170 1.00 0.00 N ATOM 397 CA GLY A 31 8.098 -2.768 7.388 1.00 0.00 C ATOM 398 C GLY A 31 7.235 -2.065 8.444 1.00 0.00 C ATOM 399 O GLY A 31 7.591 -2.160 9.617 1.00 0.00 O ATOM 0 H GLY A 31 7.998 -2.499 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.620 -3.713 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.061 -3.011 7.838 1.00 0.00 H new ATOM 403 N GLN A 32 6.104 -1.412 8.101 1.00 0.00 N ATOM 404 CA GLN A 32 5.233 -0.864 9.163 1.00 0.00 C ATOM 405 C GLN A 32 4.874 -1.998 10.130 1.00 0.00 C ATOM 406 O GLN A 32 5.039 -1.922 11.345 1.00 0.00 O ATOM 407 CB GLN A 32 3.920 -0.207 8.673 1.00 0.00 C ATOM 408 CG GLN A 32 3.920 0.705 7.441 1.00 0.00 C ATOM 409 CD GLN A 32 4.770 1.971 7.556 1.00 0.00 C ATOM 410 OE1 GLN A 32 5.800 1.967 8.217 1.00 0.00 O ATOM 411 NE2 GLN A 32 4.370 3.069 6.908 1.00 0.00 N ATOM 0 H GLN A 32 5.783 -1.256 7.145 1.00 0.00 H new ATOM 0 HA GLN A 32 5.807 -0.066 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.211 -1.011 8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.521 0.375 9.504 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.272 0.129 6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.892 0.997 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.509 3.054 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.926 3.923 6.959 1.00 0.00 H new ATOM 420 N GLY A 33 4.360 -3.053 9.511 1.00 0.00 N ATOM 421 CA GLY A 33 3.975 -4.332 10.092 1.00 0.00 C ATOM 422 C GLY A 33 2.962 -4.999 9.162 1.00 0.00 C ATOM 423 O GLY A 33 2.254 -4.292 8.453 1.00 0.00 O ATOM 0 H GLY A 33 4.188 -3.034 8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.850 -4.969 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.542 -4.184 11.081 1.00 0.00 H new ATOM 427 N ALA A 34 2.876 -6.333 9.129 1.00 0.00 N ATOM 428 CA ALA A 34 1.962 -7.007 8.206 1.00 0.00 C ATOM 429 C ALA A 34 0.503 -6.718 8.532 1.00 0.00 C ATOM 430 O ALA A 34 -0.283 -6.465 7.625 1.00 0.00 O ATOM 431 CB ALA A 34 2.238 -8.511 8.135 1.00 0.00 C ATOM 0 H ALA A 34 3.421 -6.959 9.723 1.00 0.00 H new ATOM 0 HA ALA A 34 2.152 -6.595 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.539 -8.977 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.259 -8.678 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.113 -8.951 9.124 1.00 0.00 H new ATOM 437 N GLU A 35 0.137 -6.749 9.816 1.00 0.00 N ATOM 438 CA GLU A 35 -1.219 -6.453 10.247 1.00 0.00 C ATOM 439 C GLU A 35 -1.558 -5.016 9.860 1.00 0.00 C ATOM 440 O GLU A 35 -2.569 -4.756 9.212 1.00 0.00 O ATOM 441 CB GLU A 35 -1.316 -6.652 11.765 1.00 0.00 C ATOM 442 CG GLU A 35 -1.214 -8.130 12.168 1.00 0.00 C ATOM 443 CD GLU A 35 -2.348 -8.967 11.583 1.00 0.00 C ATOM 444 OE1 GLU A 35 -3.512 -8.653 11.914 1.00 0.00 O ATOM 445 OE2 GLU A 35 -2.031 -9.893 10.806 1.00 0.00 O ATOM 0 H GLU A 35 0.774 -6.980 10.578 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.931 -7.122 9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.521 -6.089 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.262 -6.245 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.258 -8.531 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.229 -8.210 13.255 1.00 0.00 H new ATOM 452 N GLU A 36 -0.681 -4.098 10.271 1.00 0.00 N ATOM 453 CA GLU A 36 -0.746 -2.677 9.990 1.00 0.00 C ATOM 454 C GLU A 36 -1.009 -2.488 8.500 1.00 0.00 C ATOM 455 O GLU A 36 -2.031 -1.939 8.103 1.00 0.00 O ATOM 456 CB GLU A 36 0.597 -2.026 10.370 1.00 0.00 C ATOM 457 CG GLU A 36 0.833 -1.854 11.874 1.00 0.00 C ATOM 458 CD GLU A 36 0.803 -3.149 12.684 1.00 0.00 C ATOM 459 OE1 GLU A 36 1.303 -4.170 12.158 1.00 0.00 O ATOM 460 OE2 GLU A 36 0.261 -3.105 13.809 1.00 0.00 O ATOM 0 H GLU A 36 0.131 -4.346 10.836 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.546 -2.212 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.405 -2.630 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.656 -1.047 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.800 -1.373 12.022 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.076 -1.177 12.270 1.00 0.00 H new ATOM 467 N LEU A 37 -0.069 -2.963 7.685 1.00 0.00 N ATOM 468 CA LEU A 37 -0.147 -2.868 6.240 1.00 0.00 C ATOM 469 C LEU A 37 -1.471 -3.457 5.749 1.00 0.00 C ATOM 470 O LEU A 37 -2.250 -2.731 5.150 1.00 0.00 O ATOM 471 CB LEU A 37 1.080 -3.518 5.586 1.00 0.00 C ATOM 472 CG LEU A 37 2.363 -2.678 5.735 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.596 -3.556 5.510 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.400 -1.520 4.731 1.00 0.00 C ATOM 0 H LEU A 37 0.775 -3.429 8.019 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.132 -1.820 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.243 -4.500 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.878 -3.676 4.527 1.00 0.00 H new ATOM 0 HG LEU A 37 2.366 -2.269 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.497 -2.952 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.609 -4.361 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.562 -3.981 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.319 -0.950 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.365 -1.917 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.542 -0.868 4.895 1.00 0.00 H new ATOM 486 N TYR A 38 -1.755 -4.738 6.011 1.00 0.00 N ATOM 487 CA TYR A 38 -2.991 -5.409 5.608 1.00 0.00 C ATOM 488 C TYR A 38 -4.220 -4.526 5.850 1.00 0.00 C ATOM 489 O TYR A 38 -5.016 -4.277 4.940 1.00 0.00 O ATOM 490 CB TYR A 38 -3.118 -6.764 6.315 1.00 0.00 C ATOM 491 CG TYR A 38 -4.434 -7.479 6.064 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.944 -7.599 4.756 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.186 -7.960 7.151 1.00 0.00 C ATOM 494 CE1 TYR A 38 -6.220 -8.149 4.546 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.450 -8.535 6.936 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.972 -8.615 5.635 1.00 0.00 C ATOM 497 OH TYR A 38 -8.200 -9.165 5.422 1.00 0.00 O ATOM 0 H TYR A 38 -1.116 -5.348 6.521 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.943 -5.591 4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.301 -7.408 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.999 -6.613 7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.354 -7.268 3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.791 -7.887 8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.622 -8.213 3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.020 -8.915 7.771 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.589 -9.438 6.279 1.00 0.00 H new ATOM 507 N LYS A 39 -4.353 -4.047 7.085 1.00 0.00 N ATOM 508 CA LYS A 39 -5.437 -3.168 7.484 1.00 0.00 C ATOM 509 C LYS A 39 -5.429 -1.894 6.638 1.00 0.00 C ATOM 510 O LYS A 39 -6.470 -1.490 6.128 1.00 0.00 O ATOM 511 CB LYS A 39 -5.321 -2.849 8.979 1.00 0.00 C ATOM 512 CG LYS A 39 -5.659 -4.084 9.829 1.00 0.00 C ATOM 513 CD LYS A 39 -5.238 -3.913 11.294 1.00 0.00 C ATOM 514 CE LYS A 39 -5.985 -2.766 11.984 1.00 0.00 C ATOM 515 NZ LYS A 39 -5.646 -2.695 13.416 1.00 0.00 N ATOM 0 H LYS A 39 -3.702 -4.263 7.840 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.390 -3.669 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.310 -2.512 9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.995 -2.031 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.731 -4.273 9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.162 -4.959 9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.424 -4.841 11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.165 -3.726 11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.733 -1.822 11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.060 -2.907 11.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.166 -1.910 13.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.909 -3.588 13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.624 -2.537 13.523 1.00 0.00 H new ATOM 529 N LYS A 40 -4.273 -1.251 6.479 1.00 0.00 N ATOM 530 CA LYS A 40 -4.123 -0.052 5.694 1.00 0.00 C ATOM 531 C LYS A 40 -4.499 -0.285 4.221 1.00 0.00 C ATOM 532 O LYS A 40 -5.196 0.561 3.666 1.00 0.00 O ATOM 533 CB LYS A 40 -2.691 0.443 5.876 1.00 0.00 C ATOM 534 CG LYS A 40 -2.374 0.920 7.305 1.00 0.00 C ATOM 535 CD LYS A 40 -2.781 2.372 7.565 1.00 0.00 C ATOM 536 CE LYS A 40 -2.285 2.827 8.941 1.00 0.00 C ATOM 537 NZ LYS A 40 -2.391 4.288 9.086 1.00 0.00 N ATOM 0 H LYS A 40 -3.402 -1.566 6.907 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.813 0.719 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.003 -0.359 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.509 1.263 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.886 0.274 8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.305 0.812 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.366 3.017 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.866 2.467 7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.868 2.338 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.248 2.519 9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.439 4.698 9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.861 4.687 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.947 4.513 9.935 1.00 0.00 H new ATOM 551 N MET A 41 -4.088 -1.389 3.569 1.00 0.00 N ATOM 552 CA MET A 41 -4.480 -1.652 2.199 1.00 0.00 C ATOM 553 C MET A 41 -6.007 -1.640 2.099 1.00 0.00 C ATOM 554 O MET A 41 -6.562 -0.972 1.230 1.00 0.00 O ATOM 555 CB MET A 41 -3.933 -2.984 1.650 1.00 0.00 C ATOM 556 CG MET A 41 -2.723 -3.693 2.267 1.00 0.00 C ATOM 557 SD MET A 41 -1.189 -2.763 2.378 1.00 0.00 S ATOM 558 CE MET A 41 -0.604 -2.892 0.686 1.00 0.00 C ATOM 0 H MET A 41 -3.486 -2.103 3.980 1.00 0.00 H new ATOM 0 HA MET A 41 -4.045 -0.863 1.586 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.759 -3.695 1.677 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.693 -2.814 0.600 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.997 -4.013 3.272 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.529 -4.595 1.687 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.034 -1.999 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.034 -3.770 0.588 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.456 -2.985 0.013 1.00 0.00 H new ATOM 568 N LYS A 42 -6.684 -2.376 2.991 1.00 0.00 N ATOM 569 CA LYS A 42 -8.142 -2.398 3.025 1.00 0.00 C ATOM 570 C LYS A 42 -8.678 -0.984 3.278 1.00 0.00 C ATOM 571 O LYS A 42 -9.617 -0.540 2.618 1.00 0.00 O ATOM 572 CB LYS A 42 -8.634 -3.384 4.097 1.00 0.00 C ATOM 573 CG LYS A 42 -8.396 -4.858 3.730 1.00 0.00 C ATOM 574 CD LYS A 42 -9.394 -5.334 2.661 1.00 0.00 C ATOM 575 CE LYS A 42 -9.229 -6.822 2.328 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.660 -7.690 3.437 1.00 0.00 N ATOM 0 H LYS A 42 -6.239 -2.963 3.697 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.521 -2.738 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.130 -3.166 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.700 -3.227 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.378 -4.984 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.492 -5.477 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.410 -5.153 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.259 -4.744 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.809 -7.060 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.184 -7.027 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.184 -8.504 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.826 -8.027 3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.275 -7.152 4.080 1.00 0.00 H new ATOM 590 N GLY A 43 -8.063 -0.275 4.226 1.00 0.00 N ATOM 591 CA GLY A 43 -8.402 1.084 4.590 1.00 0.00 C ATOM 592 C GLY A 43 -8.415 1.990 3.365 1.00 0.00 C ATOM 593 O GLY A 43 -9.382 2.723 3.164 1.00 0.00 O ATOM 0 H GLY A 43 -7.290 -0.652 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.380 1.102 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.682 1.460 5.317 1.00 0.00 H new ATOM 597 N TYR A 44 -7.358 1.941 2.546 1.00 0.00 N ATOM 598 CA TYR A 44 -7.300 2.725 1.318 1.00 0.00 C ATOM 599 C TYR A 44 -8.275 2.167 0.287 1.00 0.00 C ATOM 600 O TYR A 44 -8.939 2.961 -0.365 1.00 0.00 O ATOM 601 CB TYR A 44 -5.881 2.848 0.723 1.00 0.00 C ATOM 602 CG TYR A 44 -5.093 4.092 1.106 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.710 5.359 1.156 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.694 4.024 1.256 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.021 6.445 1.714 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.983 5.144 1.722 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.676 6.308 2.078 1.00 0.00 C ATOM 608 OH TYR A 44 -3.047 7.291 2.780 1.00 0.00 O ATOM 0 H TYR A 44 -6.534 1.365 2.716 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.595 3.739 1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.306 1.973 1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.962 2.816 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.708 5.492 0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.168 3.112 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.528 7.387 1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.907 5.107 1.805 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.530 6.892 3.511 1.00 0.00 H new ATOM 618 N ALA A 45 -8.384 0.843 0.122 1.00 0.00 N ATOM 619 CA ALA A 45 -9.324 0.250 -0.830 1.00 0.00 C ATOM 620 C ALA A 45 -10.740 0.786 -0.598 1.00 0.00 C ATOM 621 O ALA A 45 -11.451 1.113 -1.546 1.00 0.00 O ATOM 622 CB ALA A 45 -9.294 -1.279 -0.734 1.00 0.00 C ATOM 0 H ALA A 45 -7.829 0.161 0.639 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.018 0.533 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.999 -1.702 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.290 -1.638 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.572 -1.586 0.274 1.00 0.00 H new ATOM 628 N ASP A 46 -11.147 0.871 0.671 1.00 0.00 N ATOM 629 CA ASP A 46 -12.416 1.467 1.068 1.00 0.00 C ATOM 630 C ASP A 46 -12.324 2.993 0.918 1.00 0.00 C ATOM 631 O ASP A 46 -13.269 3.652 0.484 1.00 0.00 O ATOM 632 CB ASP A 46 -12.705 1.062 2.516 1.00 0.00 C ATOM 633 CG ASP A 46 -13.867 1.854 3.097 1.00 0.00 C ATOM 634 OD1 ASP A 46 -15.016 1.563 2.704 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.572 2.739 3.929 1.00 0.00 O ATOM 0 H ASP A 46 -10.596 0.523 1.456 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.231 1.116 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.933 -0.003 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.815 1.222 3.124 1.00 0.00 H new ATOM 640 N GLY A 47 -11.170 3.535 1.304 1.00 0.00 N ATOM 641 CA GLY A 47 -10.799 4.937 1.252 1.00 0.00 C ATOM 642 C GLY A 47 -11.234 5.661 2.522 1.00 0.00 C ATOM 643 O GLY A 47 -11.705 6.797 2.469 1.00 0.00 O ATOM 0 H GLY A 47 -10.420 2.960 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.720 5.028 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.260 5.408 0.384 1.00 0.00 H new ATOM 647 N SER A 48 -11.086 4.983 3.663 1.00 0.00 N ATOM 648 CA SER A 48 -11.336 5.530 4.990 1.00 0.00 C ATOM 649 C SER A 48 -9.988 6.018 5.505 1.00 0.00 C ATOM 650 O SER A 48 -9.788 7.209 5.743 1.00 0.00 O ATOM 651 CB SER A 48 -11.917 4.444 5.901 1.00 0.00 C ATOM 652 OG SER A 48 -11.385 3.180 5.544 1.00 0.00 O ATOM 0 H SER A 48 -10.780 4.010 3.685 1.00 0.00 H new ATOM 0 HA SER A 48 -12.059 6.345 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.682 4.666 6.942 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.004 4.428 5.816 1.00 0.00 H new ATOM 0 HG SER A 48 -11.986 2.740 4.907 1.00 0.00 H new ATOM 658 N TYR A 49 -9.058 5.072 5.671 1.00 0.00 N ATOM 659 CA TYR A 49 -7.683 5.401 6.008 1.00 0.00 C ATOM 660 C TYR A 49 -7.186 6.346 4.913 1.00 0.00 C ATOM 661 O TYR A 49 -7.285 6.017 3.735 1.00 0.00 O ATOM 662 CB TYR A 49 -6.811 4.138 6.060 1.00 0.00 C ATOM 663 CG TYR A 49 -5.318 4.417 6.015 1.00 0.00 C ATOM 664 CD1 TYR A 49 -4.761 5.433 6.818 1.00 0.00 C ATOM 665 CD2 TYR A 49 -4.545 3.846 4.988 1.00 0.00 C ATOM 666 CE1 TYR A 49 -3.511 5.986 6.487 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.260 4.340 4.722 1.00 0.00 C ATOM 668 CZ TYR A 49 -2.786 5.471 5.401 1.00 0.00 C ATOM 669 OH TYR A 49 -1.712 6.147 4.903 1.00 0.00 O ATOM 0 H TYR A 49 -9.240 4.073 5.576 1.00 0.00 H new ATOM 0 HA TYR A 49 -7.626 5.865 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.040 3.588 6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.075 3.492 5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.294 5.787 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.941 3.028 4.405 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.110 6.804 7.067 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.634 3.848 3.992 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.264 6.630 5.629 1.00 0.00 H new ATOM 679 N GLY A 50 -6.680 7.517 5.302 1.00 0.00 N ATOM 680 CA GLY A 50 -6.213 8.516 4.359 1.00 0.00 C ATOM 681 C GLY A 50 -6.387 9.916 4.912 1.00 0.00 C ATOM 682 O GLY A 50 -5.495 10.762 4.842 1.00 0.00 O ATOM 0 H GLY A 50 -6.585 7.793 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.162 8.341 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.763 8.421 3.423 1.00 0.00 H new ATOM 686 N GLY A 51 -7.572 10.143 5.469 1.00 0.00 N ATOM 687 CA GLY A 51 -8.036 11.458 5.895 1.00 0.00 C ATOM 688 C GLY A 51 -8.383 12.164 4.589 1.00 0.00 C ATOM 689 O GLY A 51 -9.549 12.282 4.222 1.00 0.00 O ATOM 0 H GLY A 51 -8.251 9.402 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.903 11.383 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.264 11.995 6.447 1.00 0.00 H new ATOM 693 N GLU A 52 -7.343 12.561 3.855 1.00 0.00 N ATOM 694 CA GLU A 52 -7.479 12.914 2.459 1.00 0.00 C ATOM 695 C GLU A 52 -7.574 11.529 1.819 1.00 0.00 C ATOM 696 O GLU A 52 -6.623 10.759 1.919 1.00 0.00 O ATOM 697 CB GLU A 52 -6.241 13.686 1.979 1.00 0.00 C ATOM 698 CG GLU A 52 -6.026 14.986 2.768 1.00 0.00 C ATOM 699 CD GLU A 52 -7.235 15.914 2.697 1.00 0.00 C ATOM 700 OE1 GLU A 52 -7.633 16.238 1.557 1.00 0.00 O ATOM 701 OE2 GLU A 52 -7.742 16.276 3.781 1.00 0.00 O ATOM 0 H GLU A 52 -6.393 12.644 4.217 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.321 13.565 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.359 13.053 2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.349 13.919 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.816 14.745 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.150 15.504 2.378 1.00 0.00 H new ATOM 708 N ARG A 53 -8.721 11.181 1.233 1.00 0.00 N ATOM 709 CA ARG A 53 -9.028 9.849 0.736 1.00 0.00 C ATOM 710 C ARG A 53 -7.888 9.144 0.000 1.00 0.00 C ATOM 711 O ARG A 53 -7.762 7.929 0.107 1.00 0.00 O ATOM 712 CB ARG A 53 -10.281 9.956 -0.128 1.00 0.00 C ATOM 713 CG ARG A 53 -10.790 8.584 -0.569 1.00 0.00 C ATOM 714 CD ARG A 53 -12.233 8.770 -1.038 1.00 0.00 C ATOM 715 NE ARG A 53 -12.758 7.555 -1.678 1.00 0.00 N ATOM 716 CZ ARG A 53 -13.265 6.488 -1.041 1.00 0.00 C ATOM 717 NH1 ARG A 53 -13.420 6.467 0.286 1.00 0.00 N ATOM 718 NH2 ARG A 53 -13.595 5.393 -1.729 1.00 0.00 N ATOM 0 H ARG A 53 -9.483 11.844 1.089 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.194 9.206 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.063 10.471 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.064 10.562 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.172 8.184 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.741 7.872 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.861 9.033 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.283 9.602 -1.741 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.735 7.520 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.150 7.277 0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.808 5.641 0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.462 5.366 -2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.980 4.583 -1.244 1.00 0.00 H new ATOM 732 N LYS A 54 -7.070 9.886 -0.755 1.00 0.00 N ATOM 733 CA LYS A 54 -5.976 9.284 -1.507 1.00 0.00 C ATOM 734 C LYS A 54 -6.556 8.329 -2.553 1.00 0.00 C ATOM 735 O LYS A 54 -6.065 7.233 -2.796 1.00 0.00 O ATOM 736 CB LYS A 54 -4.866 8.826 -0.545 1.00 0.00 C ATOM 737 CG LYS A 54 -3.703 9.830 -0.663 1.00 0.00 C ATOM 738 CD LYS A 54 -2.585 9.676 0.378 1.00 0.00 C ATOM 739 CE LYS A 54 -2.776 10.532 1.636 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.912 10.072 2.448 1.00 0.00 N ATOM 0 H LYS A 54 -7.148 10.898 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.418 9.980 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.238 8.790 0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.531 7.820 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.265 9.736 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.109 10.839 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.519 8.628 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.634 9.938 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.866 10.503 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.934 11.571 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.905 10.563 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.801 10.281 1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.835 9.047 2.604 1.00 0.00 H new ATOM 754 N ALA A 55 -7.569 8.876 -3.242 1.00 0.00 N ATOM 755 CA ALA A 55 -8.385 8.295 -4.300 1.00 0.00 C ATOM 756 C ALA A 55 -7.582 7.490 -5.322 1.00 0.00 C ATOM 757 O ALA A 55 -7.992 6.400 -5.713 1.00 0.00 O ATOM 758 CB ALA A 55 -9.162 9.413 -5.001 1.00 0.00 C ATOM 0 H ALA A 55 -7.860 9.834 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.066 7.586 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.776 8.987 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.803 9.919 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.461 10.130 -5.429 1.00 0.00 H new ATOM 764 N MET A 56 -6.453 8.033 -5.780 1.00 0.00 N ATOM 765 CA MET A 56 -5.598 7.352 -6.742 1.00 0.00 C ATOM 766 C MET A 56 -5.129 6.026 -6.139 1.00 0.00 C ATOM 767 O MET A 56 -5.246 4.965 -6.754 1.00 0.00 O ATOM 768 CB MET A 56 -4.397 8.235 -7.117 1.00 0.00 C ATOM 769 CG MET A 56 -4.784 9.528 -7.854 1.00 0.00 C ATOM 770 SD MET A 56 -5.435 10.902 -6.861 1.00 0.00 S ATOM 771 CE MET A 56 -3.950 11.393 -5.954 1.00 0.00 C ATOM 0 H MET A 56 -6.111 8.951 -5.495 1.00 0.00 H new ATOM 0 HA MET A 56 -6.161 7.154 -7.654 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.851 8.494 -6.210 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.717 7.660 -7.745 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.903 9.887 -8.387 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.531 9.275 -8.607 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.141 12.324 -5.420 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.685 10.613 -5.240 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.127 11.538 -6.654 1.00 0.00 H new ATOM 781 N MET A 57 -4.617 6.102 -4.908 1.00 0.00 N ATOM 782 CA MET A 57 -4.136 4.950 -4.175 1.00 0.00 C ATOM 783 C MET A 57 -5.308 4.005 -3.958 1.00 0.00 C ATOM 784 O MET A 57 -5.195 2.831 -4.292 1.00 0.00 O ATOM 785 CB MET A 57 -3.467 5.379 -2.859 1.00 0.00 C ATOM 786 CG MET A 57 -2.162 4.590 -2.673 1.00 0.00 C ATOM 787 SD MET A 57 -1.232 4.874 -1.143 1.00 0.00 S ATOM 788 CE MET A 57 -1.585 6.597 -0.760 1.00 0.00 C ATOM 0 H MET A 57 -4.528 6.979 -4.395 1.00 0.00 H new ATOM 0 HA MET A 57 -3.366 4.427 -4.743 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.260 6.449 -2.875 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.138 5.197 -2.020 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.398 3.528 -2.732 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.507 4.818 -3.514 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.126 6.859 0.193 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.180 7.235 -1.546 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.663 6.742 -0.695 1.00 0.00 H new ATOM 798 N THR A 58 -6.430 4.528 -3.445 1.00 0.00 N ATOM 799 CA THR A 58 -7.662 3.776 -3.241 1.00 0.00 C ATOM 800 C THR A 58 -7.995 2.940 -4.473 1.00 0.00 C ATOM 801 O THR A 58 -8.073 1.717 -4.387 1.00 0.00 O ATOM 802 CB THR A 58 -8.807 4.745 -2.905 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.571 5.335 -1.648 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.205 4.118 -2.935 1.00 0.00 C ATOM 0 H THR A 58 -6.501 5.504 -3.157 1.00 0.00 H new ATOM 0 HA THR A 58 -7.527 3.090 -2.405 1.00 0.00 H new ATOM 0 HB THR A 58 -8.807 5.495 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.632 4.651 -0.949 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.949 4.875 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.407 3.726 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.256 3.307 -2.209 1.00 0.00 H new ATOM 812 N ASN A 59 -8.180 3.585 -5.626 1.00 0.00 N ATOM 813 CA ASN A 59 -8.545 2.874 -6.839 1.00 0.00 C ATOM 814 C ASN A 59 -7.479 1.846 -7.201 1.00 0.00 C ATOM 815 O ASN A 59 -7.833 0.737 -7.593 1.00 0.00 O ATOM 816 CB ASN A 59 -8.781 3.848 -7.997 1.00 0.00 C ATOM 817 CG ASN A 59 -9.557 3.244 -9.175 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.114 3.990 -9.972 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.644 1.921 -9.326 1.00 0.00 N ATOM 0 H ASN A 59 -8.082 4.594 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.479 2.345 -6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.326 4.715 -7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.817 4.208 -8.357 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.174 1.530 -10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.180 1.300 -8.663 1.00 0.00 H new ATOM 826 N ALA A 60 -6.196 2.201 -7.090 1.00 0.00 N ATOM 827 CA ALA A 60 -5.125 1.283 -7.447 1.00 0.00 C ATOM 828 C ALA A 60 -5.176 0.027 -6.572 1.00 0.00 C ATOM 829 O ALA A 60 -5.330 -1.085 -7.076 1.00 0.00 O ATOM 830 CB ALA A 60 -3.773 1.997 -7.356 1.00 0.00 C ATOM 0 H ALA A 60 -5.881 3.112 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.258 0.957 -8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.976 1.303 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.762 2.845 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.617 2.352 -6.337 1.00 0.00 H new ATOM 836 N VAL A 61 -5.075 0.200 -5.254 1.00 0.00 N ATOM 837 CA VAL A 61 -5.075 -0.910 -4.316 1.00 0.00 C ATOM 838 C VAL A 61 -6.383 -1.707 -4.406 1.00 0.00 C ATOM 839 O VAL A 61 -6.360 -2.933 -4.323 1.00 0.00 O ATOM 840 CB VAL A 61 -4.733 -0.402 -2.902 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.873 0.369 -2.234 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.346 -1.550 -1.970 1.00 0.00 C ATOM 0 H VAL A 61 -4.991 1.115 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.293 -1.622 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.893 0.276 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.560 0.695 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.127 1.239 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.746 -0.278 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.112 -1.153 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.177 -2.251 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.473 -2.065 -2.371 1.00 0.00 H new ATOM 852 N LYS A 62 -7.518 -1.034 -4.634 1.00 0.00 N ATOM 853 CA LYS A 62 -8.825 -1.670 -4.743 1.00 0.00 C ATOM 854 C LYS A 62 -8.855 -2.758 -5.817 1.00 0.00 C ATOM 855 O LYS A 62 -9.686 -3.660 -5.739 1.00 0.00 O ATOM 856 CB LYS A 62 -9.891 -0.593 -4.992 1.00 0.00 C ATOM 857 CG LYS A 62 -11.305 -1.153 -5.172 1.00 0.00 C ATOM 858 CD LYS A 62 -12.324 -0.009 -5.089 1.00 0.00 C ATOM 859 CE LYS A 62 -13.762 -0.509 -5.267 1.00 0.00 C ATOM 860 NZ LYS A 62 -14.173 -1.399 -4.167 1.00 0.00 N ATOM 0 H LYS A 62 -7.548 -0.021 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.043 -2.177 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.891 0.106 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.619 -0.025 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.388 -1.658 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.514 -1.896 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.230 0.491 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.100 0.733 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.439 0.343 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.847 -1.040 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.189 -1.607 -4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.633 -2.286 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.988 -0.933 -3.256 1.00 0.00 H new ATOM 874 N LYS A 63 -7.980 -2.691 -6.826 1.00 0.00 N ATOM 875 CA LYS A 63 -7.976 -3.712 -7.864 1.00 0.00 C ATOM 876 C LYS A 63 -7.506 -5.074 -7.325 1.00 0.00 C ATOM 877 O LYS A 63 -7.784 -6.105 -7.934 1.00 0.00 O ATOM 878 CB LYS A 63 -7.123 -3.279 -9.065 1.00 0.00 C ATOM 879 CG LYS A 63 -7.454 -1.877 -9.594 1.00 0.00 C ATOM 880 CD LYS A 63 -8.954 -1.576 -9.735 1.00 0.00 C ATOM 881 CE LYS A 63 -9.670 -2.492 -10.737 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.107 -2.371 -12.093 1.00 0.00 N ATOM 0 H LYS A 63 -7.282 -1.956 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.006 -3.829 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.071 -3.309 -8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.256 -4.001 -9.871 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.011 -1.139 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.980 -1.751 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.430 -1.675 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.081 -0.539 -10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.592 -3.527 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.731 -2.244 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.701 -2.899 -12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.080 -1.369 -12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.142 -2.759 -12.104 1.00 0.00 H new ATOM 896 N ALA A 64 -6.772 -5.086 -6.208 1.00 0.00 N ATOM 897 CA ALA A 64 -6.230 -6.286 -5.598 1.00 0.00 C ATOM 898 C ALA A 64 -7.287 -6.967 -4.726 1.00 0.00 C ATOM 899 O ALA A 64 -8.025 -6.305 -3.999 1.00 0.00 O ATOM 900 CB ALA A 64 -5.016 -5.871 -4.768 1.00 0.00 C ATOM 0 H ALA A 64 -6.537 -4.235 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.933 -7.006 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.582 -6.751 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.274 -5.405 -5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.325 -5.161 -4.001 1.00 0.00 H new ATOM 906 N SER A 65 -7.355 -8.297 -4.794 1.00 0.00 N ATOM 907 CA SER A 65 -8.268 -9.105 -3.994 1.00 0.00 C ATOM 908 C SER A 65 -7.646 -9.338 -2.613 1.00 0.00 C ATOM 909 O SER A 65 -6.479 -9.021 -2.408 1.00 0.00 O ATOM 910 CB SER A 65 -8.529 -10.416 -4.742 1.00 0.00 C ATOM 911 OG SER A 65 -7.298 -10.953 -5.184 1.00 0.00 O ATOM 0 H SER A 65 -6.766 -8.849 -5.418 1.00 0.00 H new ATOM 0 HA SER A 65 -9.223 -8.602 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.036 -11.126 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.188 -10.239 -5.592 1.00 0.00 H new ATOM 0 HG SER A 65 -7.460 -11.793 -5.662 1.00 0.00 H new ATOM 917 N ASP A 66 -8.389 -9.905 -1.657 1.00 0.00 N ATOM 918 CA ASP A 66 -7.879 -10.117 -0.301 1.00 0.00 C ATOM 919 C ASP A 66 -6.515 -10.816 -0.282 1.00 0.00 C ATOM 920 O ASP A 66 -5.604 -10.357 0.401 1.00 0.00 O ATOM 921 CB ASP A 66 -8.913 -10.841 0.574 1.00 0.00 C ATOM 922 CG ASP A 66 -8.987 -12.339 0.292 1.00 0.00 C ATOM 923 OD1 ASP A 66 -9.190 -12.680 -0.895 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.803 -13.111 1.257 1.00 0.00 O ATOM 0 H ASP A 66 -9.347 -10.225 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.713 -9.131 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.665 -10.686 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.895 -10.397 0.410 1.00 0.00 H new ATOM 929 N GLU A 67 -6.370 -11.907 -1.041 1.00 0.00 N ATOM 930 CA GLU A 67 -5.125 -12.658 -1.132 1.00 0.00 C ATOM 931 C GLU A 67 -3.972 -11.737 -1.518 1.00 0.00 C ATOM 932 O GLU A 67 -2.925 -11.709 -0.872 1.00 0.00 O ATOM 933 CB GLU A 67 -5.313 -13.830 -2.112 1.00 0.00 C ATOM 934 CG GLU A 67 -4.037 -14.662 -2.355 1.00 0.00 C ATOM 935 CD GLU A 67 -3.124 -14.126 -3.462 1.00 0.00 C ATOM 936 OE1 GLU A 67 -3.634 -13.422 -4.358 1.00 0.00 O ATOM 937 OE2 GLU A 67 -1.918 -14.461 -3.442 1.00 0.00 O ATOM 0 H GLU A 67 -7.122 -12.292 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.866 -13.078 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.094 -14.487 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.665 -13.438 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.469 -14.710 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.327 -15.683 -2.605 1.00 0.00 H new ATOM 944 N GLU A 68 -4.184 -10.970 -2.581 1.00 0.00 N ATOM 945 CA GLU A 68 -3.229 -10.053 -3.110 1.00 0.00 C ATOM 946 C GLU A 68 -2.906 -8.968 -2.084 1.00 0.00 C ATOM 947 O GLU A 68 -1.740 -8.688 -1.848 1.00 0.00 O ATOM 948 CB GLU A 68 -3.856 -9.453 -4.360 1.00 0.00 C ATOM 949 CG GLU A 68 -4.171 -10.404 -5.525 1.00 0.00 C ATOM 950 CD GLU A 68 -2.952 -11.049 -6.175 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.819 -10.807 -5.703 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.159 -11.842 -7.119 1.00 0.00 O ATOM 0 H GLU A 68 -5.060 -10.983 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.289 -10.551 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.784 -8.961 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.187 -8.677 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.831 -11.192 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.721 -9.852 -6.287 1.00 0.00 H new ATOM 959 N LEU A 69 -3.925 -8.351 -1.485 1.00 0.00 N ATOM 960 CA LEU A 69 -3.757 -7.311 -0.475 1.00 0.00 C ATOM 961 C LEU A 69 -2.884 -7.830 0.672 1.00 0.00 C ATOM 962 O LEU A 69 -1.895 -7.193 1.039 1.00 0.00 O ATOM 963 CB LEU A 69 -5.127 -6.835 0.035 1.00 0.00 C ATOM 964 CG LEU A 69 -5.959 -6.109 -1.037 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.413 -5.967 -0.579 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.431 -4.704 -1.321 1.00 0.00 C ATOM 0 H LEU A 69 -4.901 -8.563 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.253 -6.455 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.689 -7.694 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.979 -6.167 0.883 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.888 -6.713 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.988 -5.452 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.839 -6.956 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.448 -5.392 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.049 -4.230 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.464 -4.111 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.402 -4.767 -1.675 1.00 0.00 H new ATOM 978 N LYS A 70 -3.237 -8.996 1.225 1.00 0.00 N ATOM 979 CA LYS A 70 -2.479 -9.636 2.291 1.00 0.00 C ATOM 980 C LYS A 70 -1.036 -9.846 1.841 1.00 0.00 C ATOM 981 O LYS A 70 -0.100 -9.565 2.585 1.00 0.00 O ATOM 982 CB LYS A 70 -3.129 -10.977 2.660 1.00 0.00 C ATOM 983 CG LYS A 70 -4.483 -10.776 3.349 1.00 0.00 C ATOM 984 CD LYS A 70 -5.293 -12.076 3.338 1.00 0.00 C ATOM 985 CE LYS A 70 -6.647 -11.852 4.016 1.00 0.00 C ATOM 986 NZ LYS A 70 -7.516 -13.036 3.896 1.00 0.00 N ATOM 0 H LYS A 70 -4.064 -9.521 0.939 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.481 -8.995 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.263 -11.577 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.464 -11.535 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.329 -10.446 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.042 -9.989 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.442 -12.413 2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.743 -12.862 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.493 -11.618 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.141 -10.990 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.248 -13.006 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.969 -13.041 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.946 -13.898 4.009 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.851 -10.334 0.616 1.00 0.00 N ATOM 1001 CA ALA A 71 0.476 -10.557 0.078 1.00 0.00 C ATOM 1002 C ALA A 71 1.240 -9.247 -0.144 1.00 0.00 C ATOM 1003 O ALA A 71 2.451 -9.209 0.054 1.00 0.00 O ATOM 1004 CB ALA A 71 0.359 -11.363 -1.212 1.00 0.00 C ATOM 0 H ALA A 71 -1.610 -10.581 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 71 1.057 -11.122 0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.353 -11.536 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.118 -12.320 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.242 -10.810 -1.934 1.00 0.00 H new ATOM 1010 N LEU A 72 0.560 -8.170 -0.547 1.00 0.00 N ATOM 1011 CA LEU A 72 1.187 -6.880 -0.788 1.00 0.00 C ATOM 1012 C LEU A 72 1.733 -6.372 0.535 1.00 0.00 C ATOM 1013 O LEU A 72 2.882 -5.942 0.641 1.00 0.00 O ATOM 1014 CB LEU A 72 0.133 -5.946 -1.392 1.00 0.00 C ATOM 1015 CG LEU A 72 0.667 -4.720 -2.153 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.899 -5.014 -3.012 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.451 -4.198 -3.061 1.00 0.00 C ATOM 0 H LEU A 72 -0.446 -8.175 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 72 2.018 -6.942 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.490 -6.527 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.514 -5.595 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 72 0.974 -3.987 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.216 -4.102 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.707 -5.377 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.652 -5.773 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.096 -3.327 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.743 -4.978 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.311 -3.917 -2.454 1.00 0.00 H new ATOM 1029 N ALA A 73 0.874 -6.466 1.548 1.00 0.00 N ATOM 1030 CA ALA A 73 1.250 -6.162 2.916 1.00 0.00 C ATOM 1031 C ALA A 73 2.466 -7.007 3.315 1.00 0.00 C ATOM 1032 O ALA A 73 3.508 -6.455 3.664 1.00 0.00 O ATOM 1033 CB ALA A 73 0.056 -6.390 3.845 1.00 0.00 C ATOM 0 H ALA A 73 -0.098 -6.755 1.438 1.00 0.00 H new ATOM 0 HA ALA A 73 1.534 -5.113 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.344 -6.160 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.767 -5.741 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.261 -7.431 3.782 1.00 0.00 H new ATOM 1039 N ASP A 74 2.356 -8.339 3.243 1.00 0.00 N ATOM 1040 CA ASP A 74 3.442 -9.256 3.576 1.00 0.00 C ATOM 1041 C ASP A 74 4.750 -8.873 2.876 1.00 0.00 C ATOM 1042 O ASP A 74 5.812 -8.914 3.492 1.00 0.00 O ATOM 1043 CB ASP A 74 3.038 -10.690 3.223 1.00 0.00 C ATOM 1044 CG ASP A 74 4.141 -11.675 3.589 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.324 -11.898 4.805 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.794 -12.175 2.648 1.00 0.00 O ATOM 0 H ASP A 74 1.501 -8.811 2.949 1.00 0.00 H new ATOM 0 HA ASP A 74 3.623 -9.187 4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.121 -10.953 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.823 -10.759 2.157 1.00 0.00 H new ATOM 1051 N TYR A 75 4.683 -8.502 1.595 1.00 0.00 N ATOM 1052 CA TYR A 75 5.849 -8.066 0.843 1.00 0.00 C ATOM 1053 C TYR A 75 6.484 -6.860 1.542 1.00 0.00 C ATOM 1054 O TYR A 75 7.623 -6.919 2.002 1.00 0.00 O ATOM 1055 CB TYR A 75 5.438 -7.741 -0.600 1.00 0.00 C ATOM 1056 CG TYR A 75 6.600 -7.468 -1.532 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.234 -8.531 -2.200 1.00 0.00 C ATOM 1058 CD2 TYR A 75 7.085 -6.156 -1.686 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.358 -8.283 -3.007 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.225 -5.915 -2.470 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.858 -6.977 -3.136 1.00 0.00 C ATOM 1062 OH TYR A 75 9.954 -6.744 -3.912 1.00 0.00 O ATOM 0 H TYR A 75 3.817 -8.497 1.056 1.00 0.00 H new ATOM 0 HA TYR A 75 6.594 -8.861 0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.857 -8.574 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.782 -6.871 -0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.857 -9.538 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.580 -5.334 -1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.838 -9.098 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.615 -4.912 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 75 10.169 -5.788 -3.895 1.00 0.00 H new ATOM 1072 N MET A 76 5.726 -5.765 1.657 1.00 0.00 N ATOM 1073 CA MET A 76 6.170 -4.541 2.290 1.00 0.00 C ATOM 1074 C MET A 76 6.614 -4.737 3.746 1.00 0.00 C ATOM 1075 O MET A 76 7.403 -3.943 4.259 1.00 0.00 O ATOM 1076 CB MET A 76 5.038 -3.525 2.146 1.00 0.00 C ATOM 1077 CG MET A 76 5.287 -2.642 0.922 1.00 0.00 C ATOM 1078 SD MET A 76 3.997 -1.436 0.542 1.00 0.00 S ATOM 1079 CE MET A 76 2.766 -2.540 -0.160 1.00 0.00 C ATOM 0 H MET A 76 4.771 -5.714 1.303 1.00 0.00 H new ATOM 0 HA MET A 76 7.070 -4.175 1.795 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.084 -4.042 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.973 -2.909 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.225 -2.107 1.069 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.421 -3.287 0.054 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.025 -1.958 -0.707 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.251 -3.240 -0.840 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.274 -3.093 0.640 1.00 0.00 H new ATOM 1089 N SER A 77 6.126 -5.781 4.420 1.00 0.00 N ATOM 1090 CA SER A 77 6.529 -6.111 5.767 1.00 0.00 C ATOM 1091 C SER A 77 7.987 -6.570 5.854 1.00 0.00 C ATOM 1092 O SER A 77 8.526 -6.617 6.957 1.00 0.00 O ATOM 1093 CB SER A 77 5.632 -7.226 6.285 1.00 0.00 C ATOM 1094 OG SER A 77 4.282 -6.836 6.242 1.00 0.00 O ATOM 0 H SER A 77 5.433 -6.421 4.032 1.00 0.00 H new ATOM 0 HA SER A 77 6.435 -5.207 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.776 -8.124 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.911 -7.479 7.308 1.00 0.00 H new ATOM 0 HG SER A 77 4.028 -6.637 5.317 1.00 0.00 H new ATOM 1100 N LYS A 78 8.604 -6.969 4.736 1.00 0.00 N ATOM 1101 CA LYS A 78 9.961 -7.493 4.709 1.00 0.00 C ATOM 1102 C LYS A 78 10.665 -6.809 3.547 1.00 0.00 C ATOM 1103 O LYS A 78 11.076 -7.457 2.584 1.00 0.00 O ATOM 1104 CB LYS A 78 9.897 -9.014 4.519 1.00 0.00 C ATOM 1105 CG LYS A 78 9.180 -9.707 5.685 1.00 0.00 C ATOM 1106 CD LYS A 78 9.262 -11.238 5.585 1.00 0.00 C ATOM 1107 CE LYS A 78 8.659 -11.799 4.290 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.268 -11.358 4.088 1.00 0.00 N ATOM 0 H LYS A 78 8.164 -6.934 3.817 1.00 0.00 H new ATOM 0 HA LYS A 78 10.505 -7.300 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.379 -9.242 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.908 -9.411 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.622 -9.381 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.134 -9.401 5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.306 -11.543 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.745 -11.678 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.266 -11.482 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.693 -12.888 4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.830 -11.925 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.732 -11.484 4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.258 -10.354 3.817 1.00 0.00 H new ATOM 1122 N LEU A 79 10.775 -5.486 3.631 1.00 0.00 N ATOM 1123 CA LEU A 79 11.250 -4.643 2.581 1.00 0.00 C ATOM 1124 C LEU A 79 11.728 -3.369 3.272 1.00 0.00 C ATOM 1125 O LEU A 79 11.167 -3.101 4.361 1.00 0.00 O ATOM 1126 CB LEU A 79 10.004 -4.393 1.733 1.00 0.00 C ATOM 1127 CG LEU A 79 10.272 -3.505 0.536 1.00 0.00 C ATOM 1128 CD1 LEU A 79 11.095 -4.266 -0.510 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.927 -3.068 -0.038 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.622 -2.695 2.716 1.00 0.00 O ATOM 0 H LEU A 79 10.521 -4.969 4.473 1.00 0.00 H new ATOM 0 HA LEU A 79 12.059 -5.039 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.608 -5.348 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.235 -3.934 2.354 1.00 0.00 H new ATOM 0 HG LEU A 79 10.847 -2.627 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.282 -3.619 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.045 -4.573 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.544 -5.148 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.092 -2.426 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.358 -3.947 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.369 -2.519 0.720 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 1.010 4.189 -0.972 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.522 4.809 2.366 1.00 5.52 C HETATM 1145 CHB HEC A 80 -0.065 1.023 -0.187 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.941 3.455 -4.272 1.00 6.02 C HETATM 1147 CHD HEC A 80 1.710 7.479 -1.621 1.00 10.53 C HETATM 1148 NA HEC A 80 0.820 3.125 0.723 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.144 3.531 2.003 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.936 2.469 2.944 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.347 1.463 2.262 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.334 1.842 0.865 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.180 0.181 2.814 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.248 2.561 4.412 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.125 3.239 5.198 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.549 3.716 6.581 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.589 3.272 7.059 1.00 18.65 O HETATM 1158 O2A HEC A 80 -0.165 4.537 7.152 1.00 17.21 O HETATM 1159 NB HEC A 80 0.504 2.570 -2.028 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.047 1.360 -1.537 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.228 0.457 -2.627 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.170 1.074 -3.778 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.562 2.429 -3.401 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.780 -0.928 -2.421 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.234 0.499 -5.183 1.00 6.35 C HETATM 1166 CBB HEC A 80 -1.090 -0.028 -5.754 1.00 6.48 C HETATM 1167 NC HEC A 80 1.282 5.257 -2.615 1.00 3.58 N HETATM 1168 C1C HEC A 80 1.212 4.778 -3.910 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.484 5.848 -4.842 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.793 6.957 -4.109 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.605 6.603 -2.711 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.476 5.676 -6.341 1.00 8.62 C HETATM 1173 CAC HEC A 80 2.283 8.299 -4.614 1.00 3.39 C HETATM 1174 CBC HEC A 80 1.174 9.164 -5.221 1.00 10.94 C HETATM 1175 ND HEC A 80 1.374 5.830 0.158 1.00 4.28 N HETATM 1176 C1D HEC A 80 1.569 7.118 -0.281 1.00 5.02 C HETATM 1177 C2D HEC A 80 1.486 8.033 0.848 1.00 3.97 C HETATM 1178 C3D HEC A 80 1.339 7.280 1.977 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.440 5.908 1.536 1.00 9.05 C HETATM 1180 CMD HEC A 80 1.431 9.528 0.710 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.970 7.762 3.378 1.00 9.04 C HETATM 1182 CBD HEC A 80 1.457 7.027 4.648 1.00 6.36 C HETATM 1183 CGD HEC A 80 1.128 7.866 5.877 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.981 8.640 6.299 1.00 8.25 O HETATM 1185 O2D HEC A 80 0.020 7.729 6.393 1.00 15.15 O HETATM 0 HMD3 HEC A 80 2.329 9.880 0.202 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 0.552 9.808 0.129 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 1.372 9.983 1.699 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 2.222 4.934 -6.626 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.490 5.342 -6.664 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.710 6.628 -6.818 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 -0.091 -1.507 -1.806 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.746 -0.864 -1.921 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.903 -1.418 -3.387 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.629 -0.368 3.295 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.960 0.393 3.545 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.595 -0.420 2.005 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.978 6.050 4.722 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 2.531 6.852 4.591 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 0.726 8.641 -6.066 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 0.410 9.358 -4.468 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 1.596 10.110 -5.562 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.469 -0.827 -5.117 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.818 0.782 -5.791 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.925 -0.414 -6.760 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.244 4.091 4.627 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.706 2.541 5.303 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 1.316 8.792 3.458 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.119 7.787 3.426 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.415 1.560 4.810 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.175 3.118 4.551 1.00 7.29 H new HETATM 0 HHD HEC A 80 1.919 8.527 -1.838 1.00 10.53 H new HETATM 0 HHC HEC A 80 1.033 3.201 -5.328 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.494 0.052 0.060 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.910 4.959 3.373 1.00 5.52 H new