USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 603 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HECFE :(H bumps) USER MOD NoAdj-H: A 80 HEC HAC : A 80 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC HAB : A 80 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC H2D : A 80 HEC O2D : A 80 HEC CGD :(short bond) USER MOD NoAdj-H: A 80 HEC H2A : A 80 HEC O2A : A 80 HEC CGA :(short bond) USER MOD Set 1.1: A 44 TYR OH : rot 76:sc= 0.167 USER MOD Set 1.2: A 57 MET CE :methyl 167:sc= -2.14 (180deg=-3.74) USER MOD Set 2.1: A 38 TYR OH : rot 17:sc= 1.39 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -176:sc= 0.683 (180deg=0.0492) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 166:sc= 0.735 (180deg=0.551) USER MOD Set 3.2: A 40 LYS NZ :NH3+ 171:sc= 0.777 (180deg=0.576) USER MOD Single : A 1 ALA N :NH3+ 164:sc= 1.35 (180deg=1.08) USER MOD Single : A 7 TYR OH : rot -152:sc= 2.04 USER MOD Single : A 8 LYS NZ :NH3+ -115:sc= -0.019 (180deg=-0.142) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -82:sc= 1.93 USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= 0.991 (180deg=0.634) USER MOD Single : A 23 MET CE :methyl 173:sc= -0.392 (180deg=-0.507) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 1.93 (180deg=1.74) USER MOD Single : A 32 GLN : amide:sc= -0.421 K(o=-0.42,f=-2.1!) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0314) USER MOD Single : A 41 MET CE :methyl 149:sc= -2.66 (180deg=-5.97!) USER MOD Single : A 48 SER OG : rot 53:sc= 0.551 USER MOD Single : A 49 TYR OH : rot -149:sc= 0.836 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 0.595 (180deg=0.282) USER MOD Single : A 56 MET CE :methyl -172:sc= -0.0101 (180deg=-0.138) USER MOD Single : A 58 THR OG1 : rot 74:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= 0.494 K(o=0.49,f=-0.033) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0.945 (180deg=0.887) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0233 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 76 MET CE :methyl -171:sc= -0.937 (180deg=-1.3) USER MOD Single : A 77 SER OG : rot 78:sc= 0.974 USER MOD Single : A 78 LYS NZ :NH3+ 147:sc= 0.0818 (180deg=-0.909) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.540 -16.117 -6.820 1.00 0.00 N ATOM 2 CA ALA A 1 0.667 -15.275 -6.741 1.00 0.00 C ATOM 3 C ALA A 1 0.222 -13.835 -6.941 1.00 0.00 C ATOM 4 O ALA A 1 -0.711 -13.640 -7.716 1.00 0.00 O ATOM 5 CB ALA A 1 1.697 -15.676 -7.801 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.262 -17.109 -6.960 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.082 -16.030 -5.937 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.128 -15.806 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 1 1.152 -15.401 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.575 -15.036 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.989 -16.715 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.261 -15.563 -8.793 1.00 0.00 H new ATOM 13 N ASP A 2 0.824 -12.874 -6.234 1.00 0.00 N ATOM 14 CA ASP A 2 0.429 -11.469 -6.191 1.00 0.00 C ATOM 15 C ASP A 2 1.335 -10.790 -5.152 1.00 0.00 C ATOM 16 O ASP A 2 2.406 -11.323 -4.862 1.00 0.00 O ATOM 17 CB ASP A 2 -1.083 -11.339 -5.898 1.00 0.00 C ATOM 18 CG ASP A 2 -1.594 -12.374 -4.896 1.00 0.00 C ATOM 19 OD1 ASP A 2 -0.904 -12.580 -3.878 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.645 -12.980 -5.191 1.00 0.00 O ATOM 0 H ASP A 2 1.638 -13.067 -5.650 1.00 0.00 H new ATOM 0 HA ASP A 2 0.564 -10.969 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.287 -10.340 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.637 -11.442 -6.831 1.00 0.00 H new ATOM 25 N GLY A 3 0.962 -9.621 -4.620 1.00 0.00 N ATOM 26 CA GLY A 3 1.771 -8.877 -3.661 1.00 0.00 C ATOM 27 C GLY A 3 2.879 -8.123 -4.392 1.00 0.00 C ATOM 28 O GLY A 3 2.864 -6.898 -4.506 1.00 0.00 O ATOM 0 H GLY A 3 0.079 -9.164 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.144 -8.176 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.204 -9.560 -2.930 1.00 0.00 H new ATOM 32 N ALA A 4 3.819 -8.891 -4.938 1.00 0.00 N ATOM 33 CA ALA A 4 4.994 -8.376 -5.627 1.00 0.00 C ATOM 34 C ALA A 4 4.603 -7.542 -6.845 1.00 0.00 C ATOM 35 O ALA A 4 5.001 -6.386 -6.968 1.00 0.00 O ATOM 36 CB ALA A 4 5.914 -9.537 -6.017 1.00 0.00 C ATOM 0 H ALA A 4 3.782 -9.910 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 4 5.535 -7.715 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.792 -9.148 -6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.227 -10.071 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.379 -10.220 -6.677 1.00 0.00 H new ATOM 42 N ALA A 5 3.823 -8.138 -7.752 1.00 0.00 N ATOM 43 CA ALA A 5 3.365 -7.470 -8.963 1.00 0.00 C ATOM 44 C ALA A 5 2.671 -6.152 -8.620 1.00 0.00 C ATOM 45 O ALA A 5 2.944 -5.124 -9.230 1.00 0.00 O ATOM 46 CB ALA A 5 2.436 -8.402 -9.745 1.00 0.00 C ATOM 0 H ALA A 5 3.494 -9.099 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 5 4.225 -7.234 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.095 -7.900 -10.650 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.975 -9.310 -10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.576 -8.660 -9.127 1.00 0.00 H new ATOM 52 N LEU A 6 1.780 -6.190 -7.628 1.00 0.00 N ATOM 53 CA LEU A 6 1.043 -5.028 -7.175 1.00 0.00 C ATOM 54 C LEU A 6 2.008 -3.945 -6.688 1.00 0.00 C ATOM 55 O LEU A 6 1.910 -2.802 -7.132 1.00 0.00 O ATOM 56 CB LEU A 6 0.051 -5.438 -6.084 1.00 0.00 C ATOM 57 CG LEU A 6 -1.174 -6.178 -6.645 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.867 -7.536 -7.288 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.184 -6.387 -5.515 1.00 0.00 C ATOM 0 H LEU A 6 1.553 -7.043 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 6 0.475 -4.609 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.557 -6.077 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.281 -4.549 -5.547 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.567 -5.548 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.791 -7.982 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.177 -7.397 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.414 -8.195 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.058 -6.911 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.726 -6.979 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.488 -5.420 -5.115 1.00 0.00 H new ATOM 71 N TYR A 7 2.947 -4.299 -5.797 1.00 0.00 N ATOM 72 CA TYR A 7 3.912 -3.347 -5.248 1.00 0.00 C ATOM 73 C TYR A 7 4.557 -2.489 -6.330 1.00 0.00 C ATOM 74 O TYR A 7 4.722 -1.283 -6.161 1.00 0.00 O ATOM 75 CB TYR A 7 5.023 -4.051 -4.468 1.00 0.00 C ATOM 76 CG TYR A 7 5.970 -3.051 -3.822 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.508 -2.236 -2.770 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.179 -2.724 -4.469 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.224 -1.083 -2.400 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.904 -1.582 -4.084 1.00 0.00 C ATOM 81 CZ TYR A 7 7.403 -0.736 -3.081 1.00 0.00 C ATOM 82 OH TYR A 7 8.081 0.394 -2.729 1.00 0.00 O ATOM 0 H TYR A 7 3.055 -5.249 -5.441 1.00 0.00 H new ATOM 0 HA TYR A 7 3.340 -2.707 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.583 -4.686 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.583 -4.703 -5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.601 -2.497 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.550 -3.353 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.867 -0.463 -1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.847 -1.355 -4.560 1.00 0.00 H new ATOM 0 HH TYR A 7 8.569 0.738 -3.506 1.00 0.00 H new ATOM 92 N LYS A 8 4.959 -3.129 -7.427 1.00 0.00 N ATOM 93 CA LYS A 8 5.593 -2.435 -8.546 1.00 0.00 C ATOM 94 C LYS A 8 4.822 -1.168 -8.944 1.00 0.00 C ATOM 95 O LYS A 8 5.428 -0.119 -9.151 1.00 0.00 O ATOM 96 CB LYS A 8 5.792 -3.367 -9.747 1.00 0.00 C ATOM 97 CG LYS A 8 6.732 -4.528 -9.399 1.00 0.00 C ATOM 98 CD LYS A 8 6.884 -5.474 -10.596 1.00 0.00 C ATOM 99 CE LYS A 8 7.802 -6.656 -10.260 1.00 0.00 C ATOM 100 NZ LYS A 8 7.237 -7.515 -9.203 1.00 0.00 N ATOM 0 H LYS A 8 4.856 -4.134 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 8 6.580 -2.120 -8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.828 -3.760 -10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.202 -2.803 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.708 -4.139 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.340 -5.076 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.904 -5.846 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.290 -4.926 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.970 -7.250 -11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.774 -6.280 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.844 -7.472 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.282 -7.184 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.187 -8.496 -9.543 1.00 0.00 H new ATOM 114 N SER A 9 3.489 -1.233 -9.002 1.00 0.00 N ATOM 115 CA SER A 9 2.651 -0.101 -9.382 1.00 0.00 C ATOM 116 C SER A 9 2.681 1.061 -8.375 1.00 0.00 C ATOM 117 O SER A 9 2.179 2.140 -8.675 1.00 0.00 O ATOM 118 CB SER A 9 1.216 -0.603 -9.558 1.00 0.00 C ATOM 119 OG SER A 9 1.208 -1.772 -10.355 1.00 0.00 O ATOM 0 H SER A 9 2.962 -2.079 -8.785 1.00 0.00 H new ATOM 0 HA SER A 9 3.050 0.304 -10.312 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.773 -0.813 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.606 0.170 -10.025 1.00 0.00 H new ATOM 0 HG SER A 9 0.287 -2.089 -10.462 1.00 0.00 H new ATOM 125 N CYS A 10 3.226 0.834 -7.179 1.00 0.00 N ATOM 126 CA CYS A 10 3.291 1.777 -6.067 1.00 0.00 C ATOM 127 C CYS A 10 4.634 2.516 -6.041 1.00 0.00 C ATOM 128 O CYS A 10 4.774 3.567 -5.402 1.00 0.00 O ATOM 129 CB CYS A 10 3.086 0.993 -4.768 1.00 0.00 C ATOM 130 SG CYS A 10 1.865 -0.356 -4.829 1.00 0.00 S ATOM 0 H CYS A 10 3.657 -0.062 -6.950 1.00 0.00 H new ATOM 0 HA CYS A 10 2.513 2.531 -6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.046 0.573 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.785 1.693 -3.989 1.00 0.00 H new ATOM 135 N ILE A 11 5.640 1.942 -6.712 1.00 0.00 N ATOM 136 CA ILE A 11 6.950 2.557 -6.874 1.00 0.00 C ATOM 137 C ILE A 11 6.738 3.953 -7.467 1.00 0.00 C ATOM 138 O ILE A 11 5.742 4.214 -8.139 1.00 0.00 O ATOM 139 CB ILE A 11 7.848 1.679 -7.767 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.063 0.308 -7.094 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.204 2.340 -8.066 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.897 -0.671 -7.927 1.00 0.00 C ATOM 0 H ILE A 11 5.560 1.029 -7.160 1.00 0.00 H new ATOM 0 HA ILE A 11 7.460 2.647 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 11 7.338 1.550 -8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.553 0.460 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.091 -0.141 -6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.799 1.681 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.042 3.287 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.734 2.521 -7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.003 -1.611 -7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.399 -0.855 -8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.883 -0.245 -8.110 1.00 0.00 H new ATOM 154 N GLY A 12 7.659 4.873 -7.189 1.00 0.00 N ATOM 155 CA GLY A 12 7.527 6.254 -7.614 1.00 0.00 C ATOM 156 C GLY A 12 6.978 7.051 -6.441 1.00 0.00 C ATOM 157 O GLY A 12 7.576 8.055 -6.067 1.00 0.00 O ATOM 0 H GLY A 12 8.512 4.678 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.493 6.651 -7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.859 6.327 -8.472 1.00 0.00 H new ATOM 161 N CYS A 13 5.874 6.599 -5.826 1.00 0.00 N ATOM 162 CA CYS A 13 5.369 7.278 -4.646 1.00 0.00 C ATOM 163 C CYS A 13 6.120 6.705 -3.457 1.00 0.00 C ATOM 164 O CYS A 13 6.668 7.442 -2.646 1.00 0.00 O ATOM 165 CB CYS A 13 3.863 7.080 -4.502 1.00 0.00 C ATOM 166 SG CYS A 13 2.872 8.386 -5.280 1.00 0.00 S ATOM 0 H CYS A 13 5.333 5.787 -6.124 1.00 0.00 H new ATOM 0 HA CYS A 13 5.529 8.354 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.589 6.120 -4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.613 7.030 -3.442 1.00 0.00 H new ATOM 171 N HIS A 14 6.160 5.375 -3.371 1.00 0.00 N ATOM 172 CA HIS A 14 6.834 4.659 -2.308 1.00 0.00 C ATOM 173 C HIS A 14 8.324 4.485 -2.582 1.00 0.00 C ATOM 174 O HIS A 14 9.135 4.417 -1.657 1.00 0.00 O ATOM 175 CB HIS A 14 6.104 3.332 -2.181 1.00 0.00 C ATOM 176 CG HIS A 14 4.801 3.555 -1.472 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.759 3.834 -0.118 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.534 3.812 -1.934 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.495 4.162 0.179 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.670 4.044 -0.859 1.00 0.00 N ATOM 0 H HIS A 14 5.715 4.762 -4.054 1.00 0.00 H new ATOM 0 HA HIS A 14 6.799 5.215 -1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.927 2.904 -3.168 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.715 2.618 -1.629 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.544 3.797 0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.247 3.832 -2.975 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.178 4.488 1.159 1.00 0.00 H new ATOM 188 N GLY A 15 8.687 4.426 -3.860 1.00 0.00 N ATOM 189 CA GLY A 15 10.069 4.278 -4.274 1.00 0.00 C ATOM 190 C GLY A 15 10.480 2.810 -4.296 1.00 0.00 C ATOM 191 O GLY A 15 9.632 1.921 -4.354 1.00 0.00 O ATOM 0 H GLY A 15 8.026 4.480 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.204 4.712 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.717 4.830 -3.594 1.00 0.00 H new ATOM 195 N ALA A 16 11.792 2.568 -4.260 1.00 0.00 N ATOM 196 CA ALA A 16 12.382 1.242 -4.353 1.00 0.00 C ATOM 197 C ALA A 16 11.773 0.236 -3.375 1.00 0.00 C ATOM 198 O ALA A 16 11.360 -0.844 -3.789 1.00 0.00 O ATOM 199 CB ALA A 16 13.895 1.346 -4.140 1.00 0.00 C ATOM 0 H ALA A 16 12.485 3.310 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 16 12.164 0.861 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.341 0.354 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.327 1.992 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.096 1.766 -3.155 1.00 0.00 H new ATOM 205 N ASP A 17 11.721 0.580 -2.085 1.00 0.00 N ATOM 206 CA ASP A 17 11.287 -0.345 -1.046 1.00 0.00 C ATOM 207 C ASP A 17 10.547 0.382 0.072 1.00 0.00 C ATOM 208 O ASP A 17 11.028 0.463 1.197 1.00 0.00 O ATOM 209 CB ASP A 17 12.506 -1.135 -0.535 1.00 0.00 C ATOM 210 CG ASP A 17 13.749 -0.275 -0.302 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.745 0.525 0.661 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.687 -0.410 -1.117 1.00 0.00 O ATOM 0 H ASP A 17 11.978 1.504 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 17 10.571 -1.054 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.240 -1.631 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.747 -1.917 -1.255 1.00 0.00 H new ATOM 217 N GLY A 18 9.369 0.926 -0.245 1.00 0.00 N ATOM 218 CA GLY A 18 8.552 1.686 0.695 1.00 0.00 C ATOM 219 C GLY A 18 9.376 2.752 1.412 1.00 0.00 C ATOM 220 O GLY A 18 9.098 3.078 2.565 1.00 0.00 O ATOM 0 H GLY A 18 8.954 0.848 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.727 2.159 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.113 1.009 1.428 1.00 0.00 H new ATOM 224 N SER A 19 10.376 3.278 0.704 1.00 0.00 N ATOM 225 CA SER A 19 11.424 4.144 1.180 1.00 0.00 C ATOM 226 C SER A 19 10.986 5.597 1.334 1.00 0.00 C ATOM 227 O SER A 19 11.279 6.229 2.346 1.00 0.00 O ATOM 228 CB SER A 19 12.567 4.023 0.159 1.00 0.00 C ATOM 229 OG SER A 19 12.578 2.735 -0.444 1.00 0.00 O ATOM 0 H SER A 19 10.470 3.087 -0.294 1.00 0.00 H new ATOM 0 HA SER A 19 11.728 3.839 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.455 4.787 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.521 4.205 0.653 1.00 0.00 H new ATOM 0 HG SER A 19 13.041 2.102 0.144 1.00 0.00 H new ATOM 235 N LYS A 20 10.335 6.154 0.313 1.00 0.00 N ATOM 236 CA LYS A 20 9.957 7.538 0.286 1.00 0.00 C ATOM 237 C LYS A 20 8.697 7.774 1.116 1.00 0.00 C ATOM 238 O LYS A 20 7.760 6.973 1.101 1.00 0.00 O ATOM 239 CB LYS A 20 9.778 7.843 -1.199 1.00 0.00 C ATOM 240 CG LYS A 20 8.945 9.055 -1.559 1.00 0.00 C ATOM 241 CD LYS A 20 9.621 10.400 -1.264 1.00 0.00 C ATOM 242 CE LYS A 20 8.838 11.574 -1.868 1.00 0.00 C ATOM 243 NZ LYS A 20 7.451 11.643 -1.371 1.00 0.00 N ATOM 0 H LYS A 20 10.059 5.637 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 20 10.696 8.203 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.767 7.969 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.327 6.970 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.701 9.010 -2.620 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.003 9.008 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.706 10.536 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.634 10.394 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.351 12.507 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.827 11.479 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.081 12.605 -1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.860 10.967 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.433 11.405 -0.359 1.00 0.00 H new ATOM 257 N ALA A 21 8.676 8.904 1.828 1.00 0.00 N ATOM 258 CA ALA A 21 7.517 9.379 2.563 1.00 0.00 C ATOM 259 C ALA A 21 6.511 9.865 1.518 1.00 0.00 C ATOM 260 O ALA A 21 6.436 11.061 1.242 1.00 0.00 O ATOM 261 CB ALA A 21 7.955 10.499 3.514 1.00 0.00 C ATOM 0 H ALA A 21 9.484 9.521 1.907 1.00 0.00 H new ATOM 0 HA ALA A 21 7.058 8.603 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.091 10.862 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.700 10.114 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.386 11.318 2.938 1.00 0.00 H new ATOM 267 N ALA A 22 5.822 8.898 0.901 1.00 0.00 N ATOM 268 CA ALA A 22 4.865 9.024 -0.193 1.00 0.00 C ATOM 269 C ALA A 22 4.150 10.376 -0.245 1.00 0.00 C ATOM 270 O ALA A 22 3.641 10.857 0.766 1.00 0.00 O ATOM 271 CB ALA A 22 3.892 7.851 -0.151 1.00 0.00 C ATOM 0 H ALA A 22 5.933 7.924 1.183 1.00 0.00 H new ATOM 0 HA ALA A 22 5.429 8.989 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.176 7.943 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.444 6.917 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.360 7.854 0.800 1.00 0.00 H new ATOM 277 N MET A 23 4.102 10.963 -1.450 1.00 0.00 N ATOM 278 CA MET A 23 3.658 12.328 -1.715 1.00 0.00 C ATOM 279 C MET A 23 4.549 13.314 -0.955 1.00 0.00 C ATOM 280 O MET A 23 5.417 13.950 -1.549 1.00 0.00 O ATOM 281 CB MET A 23 2.159 12.534 -1.430 1.00 0.00 C ATOM 282 CG MET A 23 1.290 11.933 -2.541 1.00 0.00 C ATOM 283 SD MET A 23 0.631 13.096 -3.770 1.00 0.00 S ATOM 284 CE MET A 23 2.144 13.729 -4.527 1.00 0.00 C ATOM 0 H MET A 23 4.385 10.473 -2.299 1.00 0.00 H new ATOM 0 HA MET A 23 3.766 12.522 -2.782 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.902 12.074 -0.476 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.948 13.599 -1.337 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.878 11.180 -3.065 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.451 11.416 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.889 14.357 -5.380 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.698 14.318 -3.796 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.760 12.894 -4.862 1.00 0.00 H new ATOM 294 N GLY A 24 4.349 13.417 0.355 1.00 0.00 N ATOM 295 CA GLY A 24 5.100 14.281 1.241 1.00 0.00 C ATOM 296 C GLY A 24 4.485 14.161 2.628 1.00 0.00 C ATOM 297 O GLY A 24 3.316 14.488 2.801 1.00 0.00 O ATOM 0 H GLY A 24 3.632 12.879 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.150 13.990 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.062 15.313 0.893 1.00 0.00 H new ATOM 301 N SER A 25 5.254 13.691 3.612 1.00 0.00 N ATOM 302 CA SER A 25 4.784 13.476 4.978 1.00 0.00 C ATOM 303 C SER A 25 3.743 12.355 5.015 1.00 0.00 C ATOM 304 O SER A 25 2.538 12.582 5.123 1.00 0.00 O ATOM 305 CB SER A 25 4.262 14.764 5.618 1.00 0.00 C ATOM 306 OG SER A 25 5.197 15.810 5.443 1.00 0.00 O ATOM 0 H SER A 25 6.235 13.446 3.478 1.00 0.00 H new ATOM 0 HA SER A 25 5.638 13.163 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.308 15.041 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.080 14.603 6.681 1.00 0.00 H new ATOM 0 HG SER A 25 4.852 16.630 5.855 1.00 0.00 H new ATOM 312 N ALA A 26 4.252 11.133 4.922 1.00 0.00 N ATOM 313 CA ALA A 26 3.539 9.872 4.988 1.00 0.00 C ATOM 314 C ALA A 26 4.524 8.891 5.613 1.00 0.00 C ATOM 315 O ALA A 26 5.714 8.984 5.317 1.00 0.00 O ATOM 316 CB ALA A 26 3.166 9.424 3.576 1.00 0.00 C ATOM 0 H ALA A 26 5.253 10.992 4.788 1.00 0.00 H new ATOM 0 HA ALA A 26 2.617 9.941 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.630 8.476 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.530 10.177 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.072 9.298 2.983 1.00 0.00 H new ATOM 322 N LYS A 27 4.071 7.993 6.488 1.00 0.00 N ATOM 323 CA LYS A 27 4.947 7.017 7.122 1.00 0.00 C ATOM 324 C LYS A 27 5.496 6.079 6.039 1.00 0.00 C ATOM 325 O LYS A 27 4.696 5.352 5.451 1.00 0.00 O ATOM 326 CB LYS A 27 4.154 6.215 8.162 1.00 0.00 C ATOM 327 CG LYS A 27 3.682 7.088 9.333 1.00 0.00 C ATOM 328 CD LYS A 27 3.041 6.244 10.448 1.00 0.00 C ATOM 329 CE LYS A 27 1.863 5.385 9.969 1.00 0.00 C ATOM 330 NZ LYS A 27 0.817 6.192 9.317 1.00 0.00 N ATOM 0 H LYS A 27 3.094 7.924 6.773 1.00 0.00 H new ATOM 0 HA LYS A 27 5.773 7.521 7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.290 5.756 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.775 5.404 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.528 7.643 9.737 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.962 7.822 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.801 5.594 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.697 6.907 11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.226 4.630 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.434 4.854 10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.164 5.565 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.291 6.726 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.257 6.855 8.648 1.00 0.00 H new ATOM 344 N PRO A 28 6.811 6.057 5.754 1.00 0.00 N ATOM 345 CA PRO A 28 7.369 5.187 4.728 1.00 0.00 C ATOM 346 C PRO A 28 6.943 3.732 4.927 1.00 0.00 C ATOM 347 O PRO A 28 7.195 3.157 5.979 1.00 0.00 O ATOM 348 CB PRO A 28 8.889 5.344 4.835 1.00 0.00 C ATOM 349 CG PRO A 28 9.055 6.748 5.409 1.00 0.00 C ATOM 350 CD PRO A 28 7.865 6.856 6.362 1.00 0.00 C ATOM 0 HA PRO A 28 7.007 5.463 3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.327 4.588 5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.373 5.246 3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.005 6.864 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.023 7.511 4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.120 6.481 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.552 7.893 6.484 1.00 0.00 H new ATOM 358 N VAL A 29 6.298 3.148 3.915 1.00 0.00 N ATOM 359 CA VAL A 29 5.769 1.789 3.934 1.00 0.00 C ATOM 360 C VAL A 29 6.732 0.748 4.497 1.00 0.00 C ATOM 361 O VAL A 29 6.257 -0.163 5.176 1.00 0.00 O ATOM 362 CB VAL A 29 5.303 1.408 2.513 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.426 -0.079 2.149 1.00 0.00 C ATOM 364 CG2 VAL A 29 3.829 1.780 2.380 1.00 0.00 C ATOM 0 H VAL A 29 6.125 3.627 3.031 1.00 0.00 H new ATOM 0 HA VAL A 29 4.925 1.786 4.623 1.00 0.00 H new ATOM 0 HB VAL A 29 5.965 1.949 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.071 -0.235 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.469 -0.386 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.825 -0.673 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.477 1.520 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.248 1.235 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.708 2.852 2.539 1.00 0.00 H new ATOM 374 N LYS A 30 8.025 0.858 4.153 1.00 0.00 N ATOM 375 CA LYS A 30 9.094 -0.091 4.465 1.00 0.00 C ATOM 376 C LYS A 30 8.834 -0.878 5.755 1.00 0.00 C ATOM 377 O LYS A 30 9.229 -0.464 6.843 1.00 0.00 O ATOM 378 CB LYS A 30 10.438 0.642 4.501 1.00 0.00 C ATOM 379 CG LYS A 30 11.619 -0.334 4.444 1.00 0.00 C ATOM 380 CD LYS A 30 12.935 0.453 4.406 1.00 0.00 C ATOM 381 CE LYS A 30 14.145 -0.481 4.304 1.00 0.00 C ATOM 382 NZ LYS A 30 14.176 -1.196 3.016 1.00 0.00 N ATOM 0 H LYS A 30 8.367 1.658 3.620 1.00 0.00 H new ATOM 0 HA LYS A 30 9.121 -0.838 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.497 1.334 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.503 1.239 5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.602 -0.992 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.537 -0.969 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.928 1.135 3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.021 1.064 5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.062 0.097 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.117 -1.203 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.132 -1.571 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.495 -1.981 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.923 -0.541 2.249 1.00 0.00 H new ATOM 396 N GLY A 31 8.148 -2.012 5.613 1.00 0.00 N ATOM 397 CA GLY A 31 7.754 -2.893 6.688 1.00 0.00 C ATOM 398 C GLY A 31 7.205 -2.216 7.941 1.00 0.00 C ATOM 399 O GLY A 31 7.753 -2.441 9.018 1.00 0.00 O ATOM 0 H GLY A 31 7.843 -2.348 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.997 -3.580 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.617 -3.495 6.973 1.00 0.00 H new ATOM 403 N GLN A 32 6.103 -1.453 7.826 1.00 0.00 N ATOM 404 CA GLN A 32 5.426 -0.891 9.015 1.00 0.00 C ATOM 405 C GLN A 32 5.236 -2.033 10.032 1.00 0.00 C ATOM 406 O GLN A 32 5.673 -1.993 11.179 1.00 0.00 O ATOM 407 CB GLN A 32 4.058 -0.220 8.724 1.00 0.00 C ATOM 408 CG GLN A 32 3.878 0.681 7.490 1.00 0.00 C ATOM 409 CD GLN A 32 4.543 2.054 7.573 1.00 0.00 C ATOM 410 OE1 GLN A 32 5.590 2.199 8.191 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.951 3.071 6.939 1.00 0.00 N ATOM 0 H GLN A 32 5.665 -1.212 6.937 1.00 0.00 H new ATOM 0 HA GLN A 32 6.061 -0.093 9.399 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.318 -1.017 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.800 0.377 9.599 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.273 0.158 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.811 0.824 7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.079 2.918 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.371 4.000 6.962 1.00 0.00 H new ATOM 420 N GLY A 33 4.579 -3.067 9.521 1.00 0.00 N ATOM 421 CA GLY A 33 4.311 -4.386 10.079 1.00 0.00 C ATOM 422 C GLY A 33 3.195 -4.982 9.252 1.00 0.00 C ATOM 423 O GLY A 33 2.331 -4.245 8.797 1.00 0.00 O ATOM 0 H GLY A 33 4.171 -2.990 8.589 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.202 -5.013 10.038 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.021 -4.312 11.127 1.00 0.00 H new ATOM 427 N ALA A 34 3.187 -6.294 9.056 1.00 0.00 N ATOM 428 CA ALA A 34 2.183 -6.945 8.232 1.00 0.00 C ATOM 429 C ALA A 34 0.768 -6.671 8.728 1.00 0.00 C ATOM 430 O ALA A 34 -0.135 -6.516 7.916 1.00 0.00 O ATOM 431 CB ALA A 34 2.480 -8.434 8.185 1.00 0.00 C ATOM 0 H ALA A 34 3.872 -6.931 9.462 1.00 0.00 H new ATOM 0 HA ALA A 34 2.232 -6.533 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.733 -8.935 7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.470 -8.594 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.451 -8.843 9.195 1.00 0.00 H new ATOM 437 N GLU A 35 0.563 -6.605 10.045 1.00 0.00 N ATOM 438 CA GLU A 35 -0.734 -6.274 10.609 1.00 0.00 C ATOM 439 C GLU A 35 -1.143 -4.875 10.137 1.00 0.00 C ATOM 440 O GLU A 35 -2.191 -4.696 9.521 1.00 0.00 O ATOM 441 CB GLU A 35 -0.638 -6.338 12.137 1.00 0.00 C ATOM 442 CG GLU A 35 -0.442 -7.779 12.626 1.00 0.00 C ATOM 443 CD GLU A 35 -0.334 -7.831 14.146 1.00 0.00 C ATOM 444 OE1 GLU A 35 0.774 -7.530 14.642 1.00 0.00 O ATOM 445 OE2 GLU A 35 -1.359 -8.157 14.782 1.00 0.00 O ATOM 0 H GLU A 35 1.289 -6.779 10.740 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.493 -6.983 10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.193 -5.721 12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.544 -5.923 12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.278 -8.396 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.459 -8.199 12.179 1.00 0.00 H new ATOM 452 N GLU A 36 -0.280 -3.896 10.426 1.00 0.00 N ATOM 453 CA GLU A 36 -0.448 -2.499 10.065 1.00 0.00 C ATOM 454 C GLU A 36 -0.767 -2.370 8.579 1.00 0.00 C ATOM 455 O GLU A 36 -1.780 -1.796 8.186 1.00 0.00 O ATOM 456 CB GLU A 36 0.852 -1.744 10.385 1.00 0.00 C ATOM 457 CG GLU A 36 1.175 -1.774 11.882 1.00 0.00 C ATOM 458 CD GLU A 36 2.266 -0.776 12.267 1.00 0.00 C ATOM 459 OE1 GLU A 36 2.186 0.376 11.787 1.00 0.00 O ATOM 460 OE2 GLU A 36 3.153 -1.183 13.047 1.00 0.00 O ATOM 0 H GLU A 36 0.585 -4.069 10.937 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.275 -2.075 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.676 -2.187 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.762 -0.710 10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.271 -1.555 12.450 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.492 -2.779 12.162 1.00 0.00 H new ATOM 467 N LEU A 37 0.128 -2.916 7.763 1.00 0.00 N ATOM 468 CA LEU A 37 0.085 -2.918 6.335 1.00 0.00 C ATOM 469 C LEU A 37 -1.201 -3.569 5.841 1.00 0.00 C ATOM 470 O LEU A 37 -1.880 -2.976 5.015 1.00 0.00 O ATOM 471 CB LEU A 37 1.344 -3.664 5.893 1.00 0.00 C ATOM 472 CG LEU A 37 2.625 -2.814 5.972 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.856 -3.709 5.809 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.667 -1.720 4.901 1.00 0.00 C ATOM 0 H LEU A 37 0.952 -3.397 8.123 1.00 0.00 H new ATOM 0 HA LEU A 37 0.074 -1.914 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.468 -4.551 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.210 -4.010 4.868 1.00 0.00 H new ATOM 0 HG LEU A 37 2.626 -2.332 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.758 -3.100 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.871 -4.455 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.816 -4.209 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.590 -1.149 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.627 -2.177 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.813 -1.054 5.027 1.00 0.00 H new ATOM 486 N TYR A 38 -1.555 -4.760 6.332 1.00 0.00 N ATOM 487 CA TYR A 38 -2.773 -5.445 5.919 1.00 0.00 C ATOM 488 C TYR A 38 -3.992 -4.583 6.219 1.00 0.00 C ATOM 489 O TYR A 38 -4.846 -4.393 5.358 1.00 0.00 O ATOM 490 CB TYR A 38 -2.884 -6.836 6.557 1.00 0.00 C ATOM 491 CG TYR A 38 -4.098 -7.650 6.129 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.393 -7.845 4.763 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.885 -8.295 7.103 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.462 -8.677 4.379 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.939 -9.141 6.715 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.217 -9.349 5.355 1.00 0.00 C ATOM 497 OH TYR A 38 -7.248 -10.171 5.002 1.00 0.00 O ATOM 0 H TYR A 38 -1.005 -5.270 7.023 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.729 -5.601 4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.984 -7.402 6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.907 -6.720 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.796 -7.354 4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.678 -8.139 8.151 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.702 -8.799 3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.538 -9.633 7.467 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.169 -10.406 4.054 1.00 0.00 H new ATOM 507 N LYS A 39 -4.061 -4.047 7.435 1.00 0.00 N ATOM 508 CA LYS A 39 -5.172 -3.224 7.867 1.00 0.00 C ATOM 509 C LYS A 39 -5.317 -1.985 6.995 1.00 0.00 C ATOM 510 O LYS A 39 -6.382 -1.730 6.443 1.00 0.00 O ATOM 511 CB LYS A 39 -4.939 -2.838 9.330 1.00 0.00 C ATOM 512 CG LYS A 39 -6.205 -2.317 10.012 1.00 0.00 C ATOM 513 CD LYS A 39 -5.879 -2.073 11.489 1.00 0.00 C ATOM 514 CE LYS A 39 -7.058 -1.451 12.246 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.233 -2.341 12.266 1.00 0.00 N ATOM 0 H LYS A 39 -3.342 -4.176 8.146 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.101 -3.786 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.568 -3.706 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.163 -2.074 9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.541 -1.395 9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.015 -3.039 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.604 -3.017 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.013 -1.415 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.755 -1.228 13.269 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.329 -0.504 11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.983 -1.912 12.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.580 -2.479 11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.965 -3.260 12.672 1.00 0.00 H new ATOM 529 N LYS A 40 -4.250 -1.199 6.885 1.00 0.00 N ATOM 530 CA LYS A 40 -4.234 0.023 6.120 1.00 0.00 C ATOM 531 C LYS A 40 -4.486 -0.250 4.636 1.00 0.00 C ATOM 532 O LYS A 40 -5.288 0.445 4.014 1.00 0.00 O ATOM 533 CB LYS A 40 -2.860 0.646 6.338 1.00 0.00 C ATOM 534 CG LYS A 40 -2.625 1.166 7.766 1.00 0.00 C ATOM 535 CD LYS A 40 -3.231 2.562 7.953 1.00 0.00 C ATOM 536 CE LYS A 40 -3.029 3.102 9.373 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.603 3.290 9.694 1.00 0.00 N ATOM 0 H LYS A 40 -3.360 -1.406 7.338 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.027 0.697 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.096 -0.095 6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.732 1.471 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.066 0.476 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.555 1.200 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.779 3.250 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.297 2.525 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.553 4.052 9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.474 2.412 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.514 3.796 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.139 2.362 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.148 3.845 8.941 1.00 0.00 H new ATOM 551 N MET A 41 -3.813 -1.250 4.056 1.00 0.00 N ATOM 552 CA MET A 41 -3.988 -1.573 2.649 1.00 0.00 C ATOM 553 C MET A 41 -5.413 -2.058 2.390 1.00 0.00 C ATOM 554 O MET A 41 -6.014 -1.673 1.389 1.00 0.00 O ATOM 555 CB MET A 41 -2.875 -2.488 2.111 1.00 0.00 C ATOM 556 CG MET A 41 -2.968 -3.997 2.362 1.00 0.00 C ATOM 557 SD MET A 41 -4.127 -4.880 1.325 1.00 0.00 S ATOM 558 CE MET A 41 -3.655 -4.214 -0.283 1.00 0.00 C ATOM 0 H MET A 41 -3.144 -1.845 4.545 1.00 0.00 H new ATOM 0 HA MET A 41 -3.871 -0.664 2.059 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.817 -2.337 1.033 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.932 -2.142 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.978 -4.432 2.223 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.244 -4.158 3.404 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.826 -4.966 -1.053 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.254 -3.330 -0.501 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.599 -3.943 -0.269 1.00 0.00 H new ATOM 568 N LYS A 42 -5.976 -2.857 3.303 1.00 0.00 N ATOM 569 CA LYS A 42 -7.372 -3.257 3.205 1.00 0.00 C ATOM 570 C LYS A 42 -8.234 -1.997 3.317 1.00 0.00 C ATOM 571 O LYS A 42 -9.205 -1.842 2.584 1.00 0.00 O ATOM 572 CB LYS A 42 -7.711 -4.297 4.281 1.00 0.00 C ATOM 573 CG LYS A 42 -9.177 -4.744 4.187 1.00 0.00 C ATOM 574 CD LYS A 42 -9.548 -5.813 5.223 1.00 0.00 C ATOM 575 CE LYS A 42 -8.759 -7.112 5.022 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.279 -8.195 5.874 1.00 0.00 N ATOM 0 H LYS A 42 -5.484 -3.235 4.113 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.571 -3.736 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.058 -5.162 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.520 -3.877 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.824 -3.877 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.368 -5.134 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.360 -5.427 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.615 -6.024 5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.812 -7.413 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.707 -6.940 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.682 -9.040 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.269 -7.890 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.254 -8.421 5.591 1.00 0.00 H new ATOM 590 N GLY A 43 -7.864 -1.092 4.227 1.00 0.00 N ATOM 591 CA GLY A 43 -8.513 0.187 4.439 1.00 0.00 C ATOM 592 C GLY A 43 -8.627 0.942 3.122 1.00 0.00 C ATOM 593 O GLY A 43 -9.709 1.405 2.765 1.00 0.00 O ATOM 0 H GLY A 43 -7.075 -1.244 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.504 0.034 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.944 0.777 5.157 1.00 0.00 H new ATOM 597 N TYR A 44 -7.505 1.083 2.416 1.00 0.00 N ATOM 598 CA TYR A 44 -7.441 1.734 1.126 1.00 0.00 C ATOM 599 C TYR A 44 -8.298 0.966 0.118 1.00 0.00 C ATOM 600 O TYR A 44 -9.205 1.526 -0.491 1.00 0.00 O ATOM 601 CB TYR A 44 -5.972 1.817 0.688 1.00 0.00 C ATOM 602 CG TYR A 44 -5.110 2.875 1.367 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.532 4.220 1.407 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.805 2.554 1.795 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.708 5.204 1.982 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.966 3.549 2.327 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.426 4.867 2.440 1.00 0.00 C ATOM 608 OH TYR A 44 -2.609 5.825 2.961 1.00 0.00 O ATOM 0 H TYR A 44 -6.602 0.738 2.740 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.839 2.747 1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.512 0.844 0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.948 1.998 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.491 4.495 0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.448 1.538 1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.063 6.220 2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.966 3.297 2.649 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.908 6.053 3.866 1.00 0.00 H new ATOM 618 N ALA A 45 -8.033 -0.330 -0.048 1.00 0.00 N ATOM 619 CA ALA A 45 -8.763 -1.170 -0.990 1.00 0.00 C ATOM 620 C ALA A 45 -10.280 -1.055 -0.815 1.00 0.00 C ATOM 621 O ALA A 45 -11.011 -0.949 -1.795 1.00 0.00 O ATOM 622 CB ALA A 45 -8.302 -2.624 -0.864 1.00 0.00 C ATOM 0 H ALA A 45 -7.305 -0.825 0.468 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.538 -0.814 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.853 -3.243 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.236 -2.688 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.488 -2.978 0.150 1.00 0.00 H new ATOM 628 N ASP A 46 -10.751 -1.032 0.433 1.00 0.00 N ATOM 629 CA ASP A 46 -12.167 -0.945 0.767 1.00 0.00 C ATOM 630 C ASP A 46 -12.642 0.510 0.867 1.00 0.00 C ATOM 631 O ASP A 46 -13.664 0.766 1.502 1.00 0.00 O ATOM 632 CB ASP A 46 -12.435 -1.694 2.085 1.00 0.00 C ATOM 633 CG ASP A 46 -12.093 -3.183 2.047 1.00 0.00 C ATOM 634 OD1 ASP A 46 -11.860 -3.710 0.936 1.00 0.00 O ATOM 635 OD2 ASP A 46 -12.084 -3.781 3.144 1.00 0.00 O ATOM 0 H ASP A 46 -10.145 -1.074 1.252 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.734 -1.413 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.859 -1.222 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.488 -1.582 2.344 1.00 0.00 H new ATOM 640 N GLY A 47 -11.910 1.471 0.286 1.00 0.00 N ATOM 641 CA GLY A 47 -12.255 2.891 0.286 1.00 0.00 C ATOM 642 C GLY A 47 -12.672 3.415 1.662 1.00 0.00 C ATOM 643 O GLY A 47 -13.523 4.295 1.759 1.00 0.00 O ATOM 0 H GLY A 47 -11.040 1.272 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.399 3.465 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.068 3.060 -0.420 1.00 0.00 H new ATOM 647 N SER A 48 -12.066 2.869 2.717 1.00 0.00 N ATOM 648 CA SER A 48 -12.352 3.196 4.104 1.00 0.00 C ATOM 649 C SER A 48 -11.257 4.119 4.636 1.00 0.00 C ATOM 650 O SER A 48 -11.546 5.142 5.251 1.00 0.00 O ATOM 651 CB SER A 48 -12.466 1.891 4.896 1.00 0.00 C ATOM 652 OG SER A 48 -13.474 1.068 4.335 1.00 0.00 O ATOM 0 H SER A 48 -11.337 2.162 2.620 1.00 0.00 H new ATOM 0 HA SER A 48 -13.297 3.729 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.511 1.366 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.701 2.108 5.938 1.00 0.00 H new ATOM 0 HG SER A 48 -13.303 0.949 3.377 1.00 0.00 H new ATOM 658 N TYR A 49 -9.994 3.750 4.403 1.00 0.00 N ATOM 659 CA TYR A 49 -8.845 4.592 4.702 1.00 0.00 C ATOM 660 C TYR A 49 -8.570 5.340 3.398 1.00 0.00 C ATOM 661 O TYR A 49 -8.650 4.730 2.335 1.00 0.00 O ATOM 662 CB TYR A 49 -7.640 3.734 5.136 1.00 0.00 C ATOM 663 CG TYR A 49 -6.469 4.517 5.702 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.662 5.368 6.806 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.167 4.305 5.212 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.572 6.052 7.368 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.079 5.013 5.758 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.283 5.886 6.840 1.00 0.00 C ATOM 669 OH TYR A 49 -3.239 6.510 7.455 1.00 0.00 O ATOM 0 H TYR A 49 -9.744 2.848 3.997 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.028 5.279 5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.974 3.016 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.293 3.160 4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.651 5.495 7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.001 3.596 4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.727 6.709 8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.089 4.885 5.346 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.556 6.737 6.790 1.00 0.00 H new ATOM 679 N GLY A 50 -8.290 6.643 3.435 1.00 0.00 N ATOM 680 CA GLY A 50 -8.081 7.384 2.203 1.00 0.00 C ATOM 681 C GLY A 50 -8.011 8.882 2.466 1.00 0.00 C ATOM 682 O GLY A 50 -7.756 9.311 3.591 1.00 0.00 O ATOM 0 H GLY A 50 -8.205 7.193 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.158 7.052 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.892 7.172 1.506 1.00 0.00 H new ATOM 686 N GLY A 51 -8.220 9.669 1.410 1.00 0.00 N ATOM 687 CA GLY A 51 -8.161 11.117 1.409 1.00 0.00 C ATOM 688 C GLY A 51 -7.871 11.565 -0.021 1.00 0.00 C ATOM 689 O GLY A 51 -7.706 10.722 -0.902 1.00 0.00 O ATOM 0 H GLY A 51 -8.445 9.288 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.103 11.539 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.383 11.469 2.086 1.00 0.00 H new ATOM 693 N GLU A 52 -7.796 12.881 -0.238 1.00 0.00 N ATOM 694 CA GLU A 52 -7.545 13.507 -1.534 1.00 0.00 C ATOM 695 C GLU A 52 -6.414 12.815 -2.312 1.00 0.00 C ATOM 696 O GLU A 52 -6.673 12.048 -3.237 1.00 0.00 O ATOM 697 CB GLU A 52 -7.320 15.031 -1.383 1.00 0.00 C ATOM 698 CG GLU A 52 -7.002 15.564 0.029 1.00 0.00 C ATOM 699 CD GLU A 52 -5.824 14.864 0.703 1.00 0.00 C ATOM 700 OE1 GLU A 52 -4.717 14.935 0.127 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.067 14.221 1.746 1.00 0.00 O ATOM 0 H GLU A 52 -7.913 13.562 0.512 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.442 13.373 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.502 15.318 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.214 15.541 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.790 16.631 -0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.886 15.452 0.657 1.00 0.00 H new ATOM 708 N ARG A 53 -5.157 13.070 -1.935 1.00 0.00 N ATOM 709 CA ARG A 53 -3.987 12.498 -2.591 1.00 0.00 C ATOM 710 C ARG A 53 -4.055 10.975 -2.657 1.00 0.00 C ATOM 711 O ARG A 53 -3.604 10.353 -3.615 1.00 0.00 O ATOM 712 CB ARG A 53 -2.719 12.944 -1.848 1.00 0.00 C ATOM 713 CG ARG A 53 -2.510 12.292 -0.466 1.00 0.00 C ATOM 714 CD ARG A 53 -1.410 13.064 0.268 1.00 0.00 C ATOM 715 NE ARG A 53 -1.074 12.455 1.563 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.009 12.813 2.299 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.794 13.791 1.873 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.252 12.197 3.457 1.00 0.00 N ATOM 0 H ARG A 53 -4.926 13.687 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.962 12.862 -3.618 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.853 12.722 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.752 14.026 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.436 12.313 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.229 11.245 -0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.517 13.102 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.734 14.093 0.425 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.683 11.720 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.598 14.264 0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.604 14.065 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.359 11.450 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.063 12.474 4.011 1.00 0.00 H new ATOM 732 N LYS A 54 -4.618 10.387 -1.604 1.00 0.00 N ATOM 733 CA LYS A 54 -4.710 8.957 -1.439 1.00 0.00 C ATOM 734 C LYS A 54 -5.664 8.326 -2.456 1.00 0.00 C ATOM 735 O LYS A 54 -5.565 7.127 -2.691 1.00 0.00 O ATOM 736 CB LYS A 54 -5.109 8.633 0.007 1.00 0.00 C ATOM 737 CG LYS A 54 -4.352 9.492 1.037 1.00 0.00 C ATOM 738 CD LYS A 54 -4.368 8.863 2.436 1.00 0.00 C ATOM 739 CE LYS A 54 -4.049 9.871 3.545 1.00 0.00 C ATOM 740 NZ LYS A 54 -5.151 10.831 3.743 1.00 0.00 N ATOM 0 H LYS A 54 -5.028 10.911 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.732 8.518 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.181 8.788 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.915 7.579 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.320 9.623 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.801 10.484 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.349 8.425 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.644 8.049 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.858 9.339 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.136 10.411 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.058 11.278 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.111 11.562 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.061 10.331 3.687 1.00 0.00 H new ATOM 754 N ALA A 55 -6.581 9.088 -3.065 1.00 0.00 N ATOM 755 CA ALA A 55 -7.558 8.559 -4.014 1.00 0.00 C ATOM 756 C ALA A 55 -6.938 7.651 -5.084 1.00 0.00 C ATOM 757 O ALA A 55 -7.467 6.573 -5.361 1.00 0.00 O ATOM 758 CB ALA A 55 -8.329 9.714 -4.656 1.00 0.00 C ATOM 0 H ALA A 55 -6.663 10.093 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.244 7.926 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.057 9.317 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.847 10.281 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.633 10.369 -5.181 1.00 0.00 H new ATOM 764 N MET A 56 -5.818 8.079 -5.678 1.00 0.00 N ATOM 765 CA MET A 56 -5.110 7.316 -6.700 1.00 0.00 C ATOM 766 C MET A 56 -4.803 5.910 -6.172 1.00 0.00 C ATOM 767 O MET A 56 -5.245 4.906 -6.728 1.00 0.00 O ATOM 768 CB MET A 56 -3.831 8.080 -7.079 1.00 0.00 C ATOM 769 CG MET A 56 -3.023 7.380 -8.180 1.00 0.00 C ATOM 770 SD MET A 56 -1.399 8.106 -8.529 1.00 0.00 S ATOM 771 CE MET A 56 -1.874 9.776 -9.028 1.00 0.00 C ATOM 0 H MET A 56 -5.378 8.972 -5.458 1.00 0.00 H new ATOM 0 HA MET A 56 -5.722 7.201 -7.594 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.098 9.083 -7.413 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.206 8.195 -6.193 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.883 6.337 -7.898 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.610 7.386 -9.098 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.000 10.304 -9.410 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.634 9.721 -9.807 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.275 10.313 -8.168 1.00 0.00 H new ATOM 781 N MET A 57 -4.043 5.866 -5.079 1.00 0.00 N ATOM 782 CA MET A 57 -3.652 4.655 -4.379 1.00 0.00 C ATOM 783 C MET A 57 -4.886 3.822 -4.057 1.00 0.00 C ATOM 784 O MET A 57 -4.918 2.634 -4.359 1.00 0.00 O ATOM 785 CB MET A 57 -2.920 5.078 -3.104 1.00 0.00 C ATOM 786 CG MET A 57 -2.672 3.950 -2.097 1.00 0.00 C ATOM 787 SD MET A 57 -1.677 4.461 -0.672 1.00 0.00 S ATOM 788 CE MET A 57 -2.340 6.103 -0.325 1.00 0.00 C ATOM 0 H MET A 57 -3.671 6.710 -4.644 1.00 0.00 H new ATOM 0 HA MET A 57 -2.996 4.039 -4.994 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.961 5.515 -3.381 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.498 5.862 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.631 3.571 -1.744 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.171 3.125 -2.603 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.991 6.438 0.652 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.001 6.801 -1.090 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.429 6.063 -0.327 1.00 0.00 H new ATOM 798 N THR A 58 -5.887 4.459 -3.446 1.00 0.00 N ATOM 799 CA THR A 58 -7.142 3.839 -3.044 1.00 0.00 C ATOM 800 C THR A 58 -7.726 3.056 -4.224 1.00 0.00 C ATOM 801 O THR A 58 -7.909 1.843 -4.131 1.00 0.00 O ATOM 802 CB THR A 58 -8.107 4.911 -2.501 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.491 5.648 -1.462 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.390 4.332 -1.907 1.00 0.00 C ATOM 0 H THR A 58 -5.841 5.451 -3.212 1.00 0.00 H new ATOM 0 HA THR A 58 -6.972 3.128 -2.235 1.00 0.00 H new ATOM 0 HB THR A 58 -8.355 5.530 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.822 6.255 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.022 5.143 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.925 3.770 -2.673 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.141 3.669 -1.079 1.00 0.00 H new ATOM 812 N ASN A 59 -7.985 3.719 -5.355 1.00 0.00 N ATOM 813 CA ASN A 59 -8.562 3.021 -6.499 1.00 0.00 C ATOM 814 C ASN A 59 -7.584 1.997 -7.078 1.00 0.00 C ATOM 815 O ASN A 59 -8.010 0.930 -7.514 1.00 0.00 O ATOM 816 CB ASN A 59 -9.018 4.000 -7.585 1.00 0.00 C ATOM 817 CG ASN A 59 -10.077 3.423 -8.537 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.858 4.185 -9.096 1.00 0.00 O ATOM 819 ND2 ASN A 59 -10.170 2.107 -8.745 1.00 0.00 N ATOM 0 H ASN A 59 -7.808 4.713 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.441 2.487 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.420 4.894 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.151 4.311 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.889 1.739 -9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.522 1.470 -8.281 1.00 0.00 H new ATOM 826 N ALA A 60 -6.285 2.306 -7.105 1.00 0.00 N ATOM 827 CA ALA A 60 -5.301 1.398 -7.677 1.00 0.00 C ATOM 828 C ALA A 60 -5.323 0.065 -6.932 1.00 0.00 C ATOM 829 O ALA A 60 -5.445 -0.998 -7.537 1.00 0.00 O ATOM 830 CB ALA A 60 -3.908 2.035 -7.644 1.00 0.00 C ATOM 0 H ALA A 60 -5.897 3.175 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.554 1.206 -8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.182 1.345 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.917 2.959 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.632 2.254 -6.612 1.00 0.00 H new ATOM 836 N VAL A 61 -5.231 0.125 -5.605 1.00 0.00 N ATOM 837 CA VAL A 61 -5.207 -1.062 -4.773 1.00 0.00 C ATOM 838 C VAL A 61 -6.601 -1.699 -4.661 1.00 0.00 C ATOM 839 O VAL A 61 -6.696 -2.914 -4.504 1.00 0.00 O ATOM 840 CB VAL A 61 -4.525 -0.726 -3.439 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.436 0.035 -2.476 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.000 -1.995 -2.770 1.00 0.00 C ATOM 0 H VAL A 61 -5.171 0.999 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.605 -1.844 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.691 -0.066 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.896 0.243 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.746 0.974 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.316 -0.569 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.520 -1.737 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.829 -2.676 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.275 -2.479 -3.425 1.00 0.00 H new ATOM 852 N LYS A 62 -7.686 -0.921 -4.790 1.00 0.00 N ATOM 853 CA LYS A 62 -9.059 -1.433 -4.772 1.00 0.00 C ATOM 854 C LYS A 62 -9.259 -2.569 -5.778 1.00 0.00 C ATOM 855 O LYS A 62 -10.139 -3.404 -5.589 1.00 0.00 O ATOM 856 CB LYS A 62 -10.039 -0.274 -5.017 1.00 0.00 C ATOM 857 CG LYS A 62 -11.514 -0.684 -5.132 1.00 0.00 C ATOM 858 CD LYS A 62 -12.433 0.524 -5.383 1.00 0.00 C ATOM 859 CE LYS A 62 -12.422 1.578 -4.266 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.786 1.002 -2.959 1.00 0.00 N ATOM 0 H LYS A 62 -7.632 0.090 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.259 -1.861 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.940 0.444 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.748 0.240 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.628 -1.401 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.822 -1.189 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.137 1.001 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.454 0.166 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.431 2.027 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.118 2.378 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.866 1.763 -2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.697 0.508 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.052 0.329 -2.660 1.00 0.00 H new ATOM 874 N LYS A 63 -8.460 -2.615 -6.848 1.00 0.00 N ATOM 875 CA LYS A 63 -8.587 -3.661 -7.849 1.00 0.00 C ATOM 876 C LYS A 63 -8.200 -5.055 -7.305 1.00 0.00 C ATOM 877 O LYS A 63 -8.498 -6.064 -7.940 1.00 0.00 O ATOM 878 CB LYS A 63 -7.772 -3.294 -9.097 1.00 0.00 C ATOM 879 CG LYS A 63 -8.007 -1.857 -9.600 1.00 0.00 C ATOM 880 CD LYS A 63 -9.478 -1.430 -9.703 1.00 0.00 C ATOM 881 CE LYS A 63 -10.247 -2.276 -10.725 1.00 0.00 C ATOM 882 NZ LYS A 63 -11.640 -1.817 -10.859 1.00 0.00 N ATOM 0 H LYS A 63 -7.721 -1.938 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.639 -3.730 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.712 -3.422 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.018 -3.992 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.492 -1.167 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.546 -1.754 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.952 -1.521 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.532 -0.379 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.749 -2.222 -11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.234 -3.322 -10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.135 -2.408 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.120 -1.892 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.650 -0.826 -11.175 1.00 0.00 H new ATOM 896 N ALA A 64 -7.505 -5.116 -6.162 1.00 0.00 N ATOM 897 CA ALA A 64 -7.058 -6.338 -5.500 1.00 0.00 C ATOM 898 C ALA A 64 -8.220 -7.104 -4.844 1.00 0.00 C ATOM 899 O ALA A 64 -9.354 -6.637 -4.794 1.00 0.00 O ATOM 900 CB ALA A 64 -6.054 -5.908 -4.423 1.00 0.00 C ATOM 0 H ALA A 64 -7.229 -4.275 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.616 -7.012 -6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.687 -6.788 -3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.217 -5.391 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.544 -5.239 -3.715 1.00 0.00 H new ATOM 906 N SER A 65 -7.908 -8.287 -4.308 1.00 0.00 N ATOM 907 CA SER A 65 -8.785 -9.159 -3.535 1.00 0.00 C ATOM 908 C SER A 65 -7.922 -9.824 -2.461 1.00 0.00 C ATOM 909 O SER A 65 -6.705 -9.645 -2.473 1.00 0.00 O ATOM 910 CB SER A 65 -9.519 -10.169 -4.420 1.00 0.00 C ATOM 911 OG SER A 65 -10.480 -10.858 -3.639 1.00 0.00 O ATOM 0 H SER A 65 -6.974 -8.684 -4.412 1.00 0.00 H new ATOM 0 HA SER A 65 -9.581 -8.583 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.006 -9.657 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.810 -10.875 -4.853 1.00 0.00 H new ATOM 0 HG SER A 65 -10.955 -11.505 -4.201 1.00 0.00 H new ATOM 917 N ASP A 66 -8.525 -10.584 -1.544 1.00 0.00 N ATOM 918 CA ASP A 66 -7.851 -11.073 -0.339 1.00 0.00 C ATOM 919 C ASP A 66 -6.450 -11.664 -0.528 1.00 0.00 C ATOM 920 O ASP A 66 -5.559 -11.297 0.236 1.00 0.00 O ATOM 921 CB ASP A 66 -8.736 -12.019 0.476 1.00 0.00 C ATOM 922 CG ASP A 66 -8.073 -12.313 1.825 1.00 0.00 C ATOM 923 OD1 ASP A 66 -7.869 -11.342 2.591 1.00 0.00 O ATOM 924 OD2 ASP A 66 -7.760 -13.500 2.056 1.00 0.00 O ATOM 0 H ASP A 66 -9.499 -10.879 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.681 -10.157 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.717 -11.570 0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.894 -12.948 -0.072 1.00 0.00 H new ATOM 929 N GLU A 67 -6.238 -12.568 -1.494 1.00 0.00 N ATOM 930 CA GLU A 67 -4.910 -13.153 -1.707 1.00 0.00 C ATOM 931 C GLU A 67 -3.895 -12.028 -1.895 1.00 0.00 C ATOM 932 O GLU A 67 -2.878 -11.943 -1.209 1.00 0.00 O ATOM 933 CB GLU A 67 -4.895 -14.099 -2.923 1.00 0.00 C ATOM 934 CG GLU A 67 -3.624 -14.970 -2.923 1.00 0.00 C ATOM 935 CD GLU A 67 -3.445 -15.758 -4.223 1.00 0.00 C ATOM 936 OE1 GLU A 67 -4.469 -16.256 -4.736 1.00 0.00 O ATOM 937 OE2 GLU A 67 -2.283 -15.859 -4.685 1.00 0.00 O ATOM 0 H GLU A 67 -6.959 -12.906 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.647 -13.748 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.779 -14.737 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.942 -13.517 -3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.753 -14.334 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.666 -15.665 -2.085 1.00 0.00 H new ATOM 944 N GLU A 68 -4.223 -11.148 -2.834 1.00 0.00 N ATOM 945 CA GLU A 68 -3.444 -9.998 -3.185 1.00 0.00 C ATOM 946 C GLU A 68 -3.276 -9.082 -1.976 1.00 0.00 C ATOM 947 O GLU A 68 -2.167 -8.630 -1.722 1.00 0.00 O ATOM 948 CB GLU A 68 -4.128 -9.278 -4.345 1.00 0.00 C ATOM 949 CG GLU A 68 -4.590 -10.136 -5.534 1.00 0.00 C ATOM 950 CD GLU A 68 -6.021 -10.656 -5.460 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.283 -11.543 -4.620 1.00 0.00 O ATOM 952 OE2 GLU A 68 -6.842 -10.144 -6.251 1.00 0.00 O ATOM 0 H GLU A 68 -5.077 -11.233 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.446 -10.303 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.998 -8.753 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.442 -8.520 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.484 -9.548 -6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.918 -10.989 -5.625 1.00 0.00 H new ATOM 959 N LEU A 69 -4.355 -8.800 -1.236 1.00 0.00 N ATOM 960 CA LEU A 69 -4.292 -7.931 -0.068 1.00 0.00 C ATOM 961 C LEU A 69 -3.263 -8.477 0.933 1.00 0.00 C ATOM 962 O LEU A 69 -2.320 -7.783 1.322 1.00 0.00 O ATOM 963 CB LEU A 69 -5.669 -7.784 0.621 1.00 0.00 C ATOM 964 CG LEU A 69 -6.836 -7.152 -0.166 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.063 -7.061 0.749 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.579 -5.758 -0.745 1.00 0.00 C ATOM 0 H LEU A 69 -5.286 -9.167 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.988 -6.942 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.986 -8.778 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.523 -7.192 1.525 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.982 -7.810 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.893 -6.615 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.343 -8.060 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.826 -6.443 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.467 -5.415 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.350 -5.065 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.737 -5.801 -1.436 1.00 0.00 H new ATOM 978 N LYS A 70 -3.444 -9.739 1.336 1.00 0.00 N ATOM 979 CA LYS A 70 -2.561 -10.420 2.273 1.00 0.00 C ATOM 980 C LYS A 70 -1.126 -10.356 1.761 1.00 0.00 C ATOM 981 O LYS A 70 -0.202 -9.995 2.493 1.00 0.00 O ATOM 982 CB LYS A 70 -3.006 -11.884 2.431 1.00 0.00 C ATOM 983 CG LYS A 70 -4.332 -12.024 3.192 1.00 0.00 C ATOM 984 CD LYS A 70 -4.150 -12.410 4.669 1.00 0.00 C ATOM 985 CE LYS A 70 -3.221 -11.467 5.444 1.00 0.00 C ATOM 986 NZ LYS A 70 -3.235 -11.767 6.886 1.00 0.00 N ATOM 0 H LYS A 70 -4.219 -10.318 1.013 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.611 -9.930 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.109 -12.336 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.230 -12.440 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.877 -11.081 3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.947 -12.778 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.126 -12.424 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.752 -13.423 4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.205 -11.559 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.530 -10.434 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.597 -11.113 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.201 -11.655 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.916 -12.745 7.040 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.948 -10.701 0.488 1.00 0.00 N ATOM 1001 CA ALA A 71 0.357 -10.706 -0.131 1.00 0.00 C ATOM 1002 C ALA A 71 0.961 -9.311 -0.228 1.00 0.00 C ATOM 1003 O ALA A 71 2.180 -9.198 -0.167 1.00 0.00 O ATOM 1004 CB ALA A 71 0.273 -11.375 -1.498 1.00 0.00 C ATOM 0 H ALA A 71 -1.706 -10.982 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 71 1.030 -11.281 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.259 -11.378 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.075 -12.401 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.425 -10.825 -2.130 1.00 0.00 H new ATOM 1010 N LEU A 72 0.163 -8.248 -0.383 1.00 0.00 N ATOM 1011 CA LEU A 72 0.709 -6.905 -0.445 1.00 0.00 C ATOM 1012 C LEU A 72 1.367 -6.628 0.900 1.00 0.00 C ATOM 1013 O LEU A 72 2.523 -6.213 0.953 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.414 -5.908 -0.780 1.00 0.00 C ATOM 1015 CG LEU A 72 -0.040 -4.649 -1.593 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.392 -4.591 -2.145 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.996 -4.570 -2.785 1.00 0.00 C ATOM 0 H LEU A 72 -0.852 -8.300 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 72 1.457 -6.799 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.186 -6.445 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.862 -5.580 0.158 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.115 -3.818 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.532 -3.661 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.102 -4.634 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.559 -5.437 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.760 -3.690 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.888 -5.465 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.022 -4.499 -2.424 1.00 0.00 H new ATOM 1029 N ALA A 73 0.635 -6.900 1.985 1.00 0.00 N ATOM 1030 CA ALA A 73 1.161 -6.741 3.329 1.00 0.00 C ATOM 1031 C ALA A 73 2.429 -7.575 3.503 1.00 0.00 C ATOM 1032 O ALA A 73 3.480 -7.031 3.835 1.00 0.00 O ATOM 1033 CB ALA A 73 0.092 -7.103 4.359 1.00 0.00 C ATOM 0 H ALA A 73 -0.328 -7.233 1.949 1.00 0.00 H new ATOM 0 HA ALA A 73 1.432 -5.698 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.498 -6.980 5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.771 -6.449 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.215 -8.139 4.216 1.00 0.00 H new ATOM 1039 N ASP A 74 2.341 -8.890 3.269 1.00 0.00 N ATOM 1040 CA ASP A 74 3.485 -9.787 3.373 1.00 0.00 C ATOM 1041 C ASP A 74 4.691 -9.263 2.585 1.00 0.00 C ATOM 1042 O ASP A 74 5.804 -9.255 3.106 1.00 0.00 O ATOM 1043 CB ASP A 74 3.096 -11.189 2.898 1.00 0.00 C ATOM 1044 CG ASP A 74 4.261 -12.160 3.049 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.623 -12.439 4.212 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.777 -12.599 1.998 1.00 0.00 O ATOM 0 H ASP A 74 1.474 -9.356 3.003 1.00 0.00 H new ATOM 0 HA ASP A 74 3.780 -9.835 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.242 -11.548 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.784 -11.150 1.854 1.00 0.00 H new ATOM 1051 N TYR A 75 4.483 -8.824 1.338 1.00 0.00 N ATOM 1052 CA TYR A 75 5.552 -8.286 0.513 1.00 0.00 C ATOM 1053 C TYR A 75 6.159 -7.054 1.182 1.00 0.00 C ATOM 1054 O TYR A 75 7.358 -7.005 1.436 1.00 0.00 O ATOM 1055 CB TYR A 75 5.017 -7.944 -0.882 1.00 0.00 C ATOM 1056 CG TYR A 75 6.108 -7.567 -1.861 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.817 -8.575 -2.540 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.512 -6.224 -1.986 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.901 -8.239 -3.367 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.613 -5.893 -2.793 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.300 -6.898 -3.492 1.00 0.00 C ATOM 1062 OH TYR A 75 9.349 -6.578 -4.301 1.00 0.00 O ATOM 0 H TYR A 75 3.571 -8.835 0.881 1.00 0.00 H new ATOM 0 HA TYR A 75 6.335 -9.037 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.466 -8.799 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.309 -7.119 -0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.527 -9.609 -2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.975 -5.448 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.428 -9.012 -3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.931 -4.864 -2.876 1.00 0.00 H new ATOM 0 HH TYR A 75 9.496 -5.609 -4.278 1.00 0.00 H new ATOM 1072 N MET A 76 5.321 -6.060 1.477 1.00 0.00 N ATOM 1073 CA MET A 76 5.739 -4.815 2.114 1.00 0.00 C ATOM 1074 C MET A 76 6.426 -5.054 3.468 1.00 0.00 C ATOM 1075 O MET A 76 7.239 -4.235 3.888 1.00 0.00 O ATOM 1076 CB MET A 76 4.539 -3.867 2.233 1.00 0.00 C ATOM 1077 CG MET A 76 4.153 -3.285 0.865 1.00 0.00 C ATOM 1078 SD MET A 76 2.801 -2.072 0.858 1.00 0.00 S ATOM 1079 CE MET A 76 1.403 -3.097 1.358 1.00 0.00 C ATOM 0 H MET A 76 4.322 -6.099 1.277 1.00 0.00 H new ATOM 0 HA MET A 76 6.491 -4.343 1.482 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.689 -4.403 2.656 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.779 -3.057 2.921 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.036 -2.815 0.432 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.876 -4.110 0.208 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.478 -2.531 1.244 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.363 -3.988 0.732 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.522 -3.392 2.401 1.00 0.00 H new ATOM 1089 N SER A 77 6.114 -6.160 4.150 1.00 0.00 N ATOM 1090 CA SER A 77 6.733 -6.569 5.397 1.00 0.00 C ATOM 1091 C SER A 77 8.056 -7.312 5.190 1.00 0.00 C ATOM 1092 O SER A 77 8.647 -7.776 6.163 1.00 0.00 O ATOM 1093 CB SER A 77 5.748 -7.485 6.107 1.00 0.00 C ATOM 1094 OG SER A 77 4.540 -6.795 6.323 1.00 0.00 O ATOM 0 H SER A 77 5.398 -6.812 3.831 1.00 0.00 H new ATOM 0 HA SER A 77 6.966 -5.678 5.981 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.568 -8.378 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.164 -7.818 7.058 1.00 0.00 H new ATOM 0 HG SER A 77 4.024 -6.770 5.490 1.00 0.00 H new ATOM 1100 N LYS A 78 8.503 -7.458 3.944 1.00 0.00 N ATOM 1101 CA LYS A 78 9.717 -8.156 3.560 1.00 0.00 C ATOM 1102 C LYS A 78 10.374 -7.270 2.502 1.00 0.00 C ATOM 1103 O LYS A 78 10.792 -7.742 1.444 1.00 0.00 O ATOM 1104 CB LYS A 78 9.282 -9.519 3.003 1.00 0.00 C ATOM 1105 CG LYS A 78 10.418 -10.533 2.849 1.00 0.00 C ATOM 1106 CD LYS A 78 10.020 -11.706 1.938 1.00 0.00 C ATOM 1107 CE LYS A 78 8.725 -12.425 2.350 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.512 -11.735 1.867 1.00 0.00 N ATOM 0 H LYS A 78 8.002 -7.074 3.143 1.00 0.00 H new ATOM 0 HA LYS A 78 10.424 -8.333 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.522 -9.941 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.813 -9.367 2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.296 -10.035 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.699 -10.915 3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.906 -11.335 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.834 -12.431 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.739 -13.443 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.686 -12.501 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.775 -12.437 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.168 -11.083 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.738 -11.199 1.005 1.00 0.00 H new ATOM 1122 N LEU A 79 10.424 -5.969 2.787 1.00 0.00 N ATOM 1123 CA LEU A 79 10.823 -4.937 1.883 1.00 0.00 C ATOM 1124 C LEU A 79 11.375 -3.820 2.766 1.00 0.00 C ATOM 1125 O LEU A 79 12.363 -3.182 2.348 1.00 0.00 O ATOM 1126 CB LEU A 79 9.521 -4.533 1.188 1.00 0.00 C ATOM 1127 CG LEU A 79 9.691 -3.417 0.178 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.474 -3.930 -1.038 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.316 -2.891 -0.238 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.797 -3.649 3.864 1.00 0.00 O ATOM 0 H LEU A 79 10.171 -5.608 3.707 1.00 0.00 H new ATOM 0 HA LEU A 79 11.576 -5.205 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.102 -5.405 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.798 -4.222 1.942 1.00 0.00 H new ATOM 0 HG LEU A 79 10.255 -2.598 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.593 -3.123 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.456 -4.278 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.930 -4.754 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.438 -2.088 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.737 -3.699 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.792 -2.510 0.638 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.658 4.206 -0.647 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.118 4.801 2.695 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.086 0.897 0.070 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.536 3.556 -3.967 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.703 7.567 -1.222 1.00 10.53 C HETATM 1148 NA HEC A 80 0.646 3.076 1.027 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.916 3.490 2.313 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.850 2.388 3.234 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.392 1.329 2.530 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.346 1.736 1.142 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.007 -0.021 3.050 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.151 2.481 4.705 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.064 2.922 5.521 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.306 3.440 6.901 1.00 22.27 C HETATM 1157 O1A HEC A 80 -0.304 4.413 7.338 1.00 18.65 O HETATM 1158 O2A HEC A 80 1.199 2.864 7.515 1.00 17.21 O HETATM 1159 NB HEC A 80 0.394 2.558 -1.732 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.162 1.276 -1.267 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.067 0.356 -2.367 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.225 1.080 -3.511 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.388 2.466 -3.110 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.098 -1.130 -2.195 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.300 0.560 -4.929 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.936 -0.207 -5.420 1.00 6.48 C HETATM 1167 NC HEC A 80 0.694 5.329 -2.261 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.649 4.887 -3.570 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.795 6.003 -4.473 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.019 7.103 -3.702 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.801 6.706 -2.323 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.783 5.883 -5.976 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.452 8.478 -4.149 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.287 9.332 -4.664 1.00 10.94 C HETATM 1175 ND HEC A 80 0.733 5.845 0.522 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.649 7.156 0.113 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.436 8.010 1.271 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.502 7.222 2.384 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.830 5.897 1.901 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.107 9.474 1.196 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.161 7.618 3.820 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.704 6.819 5.026 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.344 7.522 6.325 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.247 8.035 6.981 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.837 7.534 6.660 1.00 15.15 O HETATM 0 HMD3 HEC A 80 0.909 10.001 0.680 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.826 9.610 0.650 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 -0.001 9.875 2.204 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.597 5.232 -6.296 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.168 5.460 -6.300 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.911 6.870 -6.421 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.750 -1.528 -1.638 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.019 -1.333 -1.648 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.145 -1.607 -3.174 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.867 -0.482 3.536 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.804 0.084 3.771 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.322 -0.649 2.222 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.288 5.812 5.021 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.786 6.717 4.947 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 -0.178 8.837 -5.517 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.450 9.458 -3.871 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.660 10.309 -4.971 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.102 -1.076 -4.783 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.809 0.445 -5.378 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.776 -0.535 -6.447 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.597 3.702 4.977 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.749 2.081 5.626 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.487 8.650 3.950 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.926 7.614 3.901 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.495 1.511 5.065 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.967 3.187 4.862 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.666 8.638 -1.421 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.566 3.350 -5.037 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.198 -0.132 0.289 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.531 4.985 3.687 1.00 5.52 H new