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 40 LYS NZ :NH3+ -153:sc= 0.98 (180deg=-0.261) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.555 USER MOD Set 2.1: A 38 TYR OH : rot -4:sc= 2.21 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 174:sc= 0.288 (180deg=0) USER MOD Set 2.3: A 70 LYS NZ :NH3+ -168:sc= 0.869 (180deg=0) USER MOD Set 3.1: A 41 MET CE :methyl -140:sc= -5.74! (180deg=-6.17!) USER MOD Set 3.2: A 76 MET CE :methyl -154:sc= -1 (180deg=-1.34) USER MOD Single : A 1 ALA N :NH3+ -99:sc= 0.184 (180deg=0) USER MOD Single : A 7 TYR OH : rot -147:sc= 1.19 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.069) USER MOD Single : A 9 SER OG : rot 86:sc= 0.834 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0115) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc=-0.00823 (180deg=-0.129) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0.496 (180deg=0.47) USER MOD Single : A 32 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.061) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 48 SER OG : rot -117:sc= 1.25 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 0.747 (180deg=0.58) USER MOD Single : A 56 MET CE :methyl 179:sc=-0.00897 (180deg=-0.0117) USER MOD Single : A 57 MET CE :methyl 155:sc= -2.78 (180deg=-8.26!) USER MOD Single : A 58 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 59 ASN : amide:sc= 0.245 X(o=0.24,f=-0.053) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0.177 (180deg=-0.00769) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc=-0.00519 (180deg=-0.0557) USER MOD Single : A 65 SER OG : rot -105:sc= -0.0344 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -37:sc= 0.833 USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= 0.809 (180deg=0.419) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.933 -13.069 -8.152 1.00 0.00 N ATOM 2 CA ALA A 1 5.035 -13.701 -7.167 1.00 0.00 C ATOM 3 C ALA A 1 3.957 -12.697 -6.769 1.00 0.00 C ATOM 4 O ALA A 1 4.126 -11.511 -7.062 1.00 0.00 O ATOM 5 CB ALA A 1 5.818 -14.162 -5.933 1.00 0.00 C ATOM 0 H1 ALA A 1 5.663 -13.369 -9.110 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.856 -12.034 -8.079 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.914 -13.357 -7.962 1.00 0.00 H new ATOM 0 HA ALA A 1 4.572 -14.581 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.135 -14.625 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.576 -14.886 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.301 -13.303 -5.467 1.00 0.00 H new ATOM 13 N ASP A 2 2.875 -13.157 -6.135 1.00 0.00 N ATOM 14 CA ASP A 2 1.804 -12.279 -5.680 1.00 0.00 C ATOM 15 C ASP A 2 2.367 -11.258 -4.684 1.00 0.00 C ATOM 16 O ASP A 2 3.440 -11.460 -4.115 1.00 0.00 O ATOM 17 CB ASP A 2 0.664 -13.117 -5.080 1.00 0.00 C ATOM 18 CG ASP A 2 -0.585 -12.304 -4.734 1.00 0.00 C ATOM 19 OD1 ASP A 2 -0.718 -11.183 -5.274 1.00 0.00 O ATOM 20 OD2 ASP A 2 -1.384 -12.825 -3.928 1.00 0.00 O ATOM 0 H ASP A 2 2.721 -14.143 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 2 1.388 -11.723 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.391 -13.901 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.025 -13.612 -4.178 1.00 0.00 H new ATOM 25 N GLY A 3 1.672 -10.136 -4.510 1.00 0.00 N ATOM 26 CA GLY A 3 2.082 -9.036 -3.658 1.00 0.00 C ATOM 27 C GLY A 3 3.144 -8.219 -4.385 1.00 0.00 C ATOM 28 O GLY A 3 2.928 -7.060 -4.733 1.00 0.00 O ATOM 0 H GLY A 3 0.780 -9.968 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.225 -8.408 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.478 -9.416 -2.716 1.00 0.00 H new ATOM 32 N ALA A 4 4.280 -8.858 -4.661 1.00 0.00 N ATOM 33 CA ALA A 4 5.396 -8.255 -5.375 1.00 0.00 C ATOM 34 C ALA A 4 4.941 -7.792 -6.761 1.00 0.00 C ATOM 35 O ALA A 4 5.199 -6.655 -7.152 1.00 0.00 O ATOM 36 CB ALA A 4 6.553 -9.253 -5.467 1.00 0.00 C ATOM 0 H ALA A 4 4.450 -9.826 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 4 5.749 -7.379 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.386 -8.797 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.875 -9.530 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.223 -10.144 -6.001 1.00 0.00 H new ATOM 42 N ALA A 5 4.255 -8.678 -7.497 1.00 0.00 N ATOM 43 CA ALA A 5 3.727 -8.380 -8.824 1.00 0.00 C ATOM 44 C ALA A 5 2.951 -7.062 -8.821 1.00 0.00 C ATOM 45 O ALA A 5 3.189 -6.202 -9.662 1.00 0.00 O ATOM 46 CB ALA A 5 2.845 -9.536 -9.305 1.00 0.00 C ATOM 0 H ALA A 5 4.053 -9.626 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 5 4.562 -8.267 -9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.454 -9.307 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.436 -10.450 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.016 -9.674 -8.611 1.00 0.00 H new ATOM 52 N LEU A 6 2.024 -6.907 -7.871 1.00 0.00 N ATOM 53 CA LEU A 6 1.261 -5.683 -7.712 1.00 0.00 C ATOM 54 C LEU A 6 2.216 -4.525 -7.413 1.00 0.00 C ATOM 55 O LEU A 6 2.191 -3.495 -8.093 1.00 0.00 O ATOM 56 CB LEU A 6 0.266 -5.832 -6.557 1.00 0.00 C ATOM 57 CG LEU A 6 -0.963 -6.686 -6.891 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.691 -8.186 -7.035 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.981 -6.509 -5.764 1.00 0.00 C ATOM 0 H LEU A 6 1.787 -7.632 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 6 0.713 -5.481 -8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.781 -6.274 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.067 -4.841 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.316 -6.340 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.621 -8.703 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.029 -8.350 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.287 -8.574 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.867 -7.107 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.541 -6.835 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.262 -5.458 -5.689 1.00 0.00 H new ATOM 71 N TYR A 7 3.051 -4.715 -6.383 1.00 0.00 N ATOM 72 CA TYR A 7 3.967 -3.706 -5.875 1.00 0.00 C ATOM 73 C TYR A 7 4.759 -3.002 -6.962 1.00 0.00 C ATOM 74 O TYR A 7 4.945 -1.789 -6.883 1.00 0.00 O ATOM 75 CB TYR A 7 4.925 -4.276 -4.831 1.00 0.00 C ATOM 76 CG TYR A 7 5.614 -3.176 -4.045 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.831 -2.200 -3.401 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.000 -2.974 -4.170 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.419 -1.023 -2.914 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.594 -1.819 -3.634 1.00 0.00 C ATOM 81 CZ TYR A 7 6.798 -0.825 -3.044 1.00 0.00 C ATOM 82 OH TYR A 7 7.341 0.348 -2.627 1.00 0.00 O ATOM 0 H TYR A 7 3.103 -5.597 -5.874 1.00 0.00 H new ATOM 0 HA TYR A 7 3.326 -2.961 -5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.376 -4.923 -4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.674 -4.896 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.769 -2.358 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.608 -3.707 -4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.808 -0.270 -2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.666 -1.696 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 7 8.101 0.579 -3.201 1.00 0.00 H new ATOM 92 N LYS A 8 5.227 -3.763 -7.953 1.00 0.00 N ATOM 93 CA LYS A 8 5.950 -3.221 -9.107 1.00 0.00 C ATOM 94 C LYS A 8 5.342 -1.899 -9.600 1.00 0.00 C ATOM 95 O LYS A 8 6.070 -0.978 -9.959 1.00 0.00 O ATOM 96 CB LYS A 8 5.988 -4.231 -10.260 1.00 0.00 C ATOM 97 CG LYS A 8 6.897 -5.426 -9.957 1.00 0.00 C ATOM 98 CD LYS A 8 6.918 -6.370 -11.166 1.00 0.00 C ATOM 99 CE LYS A 8 7.781 -7.611 -10.907 1.00 0.00 C ATOM 100 NZ LYS A 8 9.197 -7.266 -10.691 1.00 0.00 N ATOM 0 H LYS A 8 5.115 -4.777 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 8 6.968 -3.023 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.978 -4.588 -10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.336 -3.733 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.907 -5.081 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.538 -5.955 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.900 -6.679 -11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.301 -5.837 -12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.400 -8.141 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.699 -8.292 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.765 -8.137 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.531 -6.667 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.296 -6.751 -9.793 1.00 0.00 H new ATOM 114 N SER A 9 4.012 -1.794 -9.607 1.00 0.00 N ATOM 115 CA SER A 9 3.316 -0.585 -10.017 1.00 0.00 C ATOM 116 C SER A 9 3.578 0.559 -9.026 1.00 0.00 C ATOM 117 O SER A 9 3.942 1.676 -9.391 1.00 0.00 O ATOM 118 CB SER A 9 1.808 -0.884 -10.089 1.00 0.00 C ATOM 119 OG SER A 9 1.565 -2.217 -10.502 1.00 0.00 O ATOM 0 H SER A 9 3.390 -2.552 -9.326 1.00 0.00 H new ATOM 0 HA SER A 9 3.683 -0.273 -10.995 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.355 -0.716 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.331 -0.193 -10.784 1.00 0.00 H new ATOM 0 HG SER A 9 1.585 -2.810 -9.722 1.00 0.00 H new ATOM 125 N CYS A 10 3.382 0.248 -7.746 1.00 0.00 N ATOM 126 CA CYS A 10 3.447 1.141 -6.602 1.00 0.00 C ATOM 127 C CYS A 10 4.862 1.673 -6.403 1.00 0.00 C ATOM 128 O CYS A 10 5.029 2.774 -5.873 1.00 0.00 O ATOM 129 CB CYS A 10 2.966 0.409 -5.345 1.00 0.00 C ATOM 130 SG CYS A 10 1.616 -0.791 -5.544 1.00 0.00 S ATOM 0 H CYS A 10 3.157 -0.707 -7.466 1.00 0.00 H new ATOM 0 HA CYS A 10 2.794 1.994 -6.789 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.819 -0.112 -4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.647 1.158 -4.620 1.00 0.00 H new ATOM 135 N ILE A 11 5.877 0.904 -6.829 1.00 0.00 N ATOM 136 CA ILE A 11 7.271 1.343 -6.805 1.00 0.00 C ATOM 137 C ILE A 11 7.369 2.739 -7.418 1.00 0.00 C ATOM 138 O ILE A 11 8.134 3.568 -6.930 1.00 0.00 O ATOM 139 CB ILE A 11 8.199 0.351 -7.544 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.382 -0.912 -6.691 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.575 0.965 -7.860 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.268 -1.981 -7.338 1.00 0.00 C ATOM 0 H ILE A 11 5.749 -0.038 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 11 7.606 1.376 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 11 7.726 0.102 -8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.814 -0.630 -5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.402 -1.343 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.191 0.230 -8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.445 1.842 -8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.065 1.258 -6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.347 -2.840 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.827 -2.295 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.261 -1.570 -7.519 1.00 0.00 H new ATOM 154 N GLY A 12 6.578 3.008 -8.464 1.00 0.00 N ATOM 155 CA GLY A 12 6.550 4.299 -9.126 1.00 0.00 C ATOM 156 C GLY A 12 6.367 5.467 -8.153 1.00 0.00 C ATOM 157 O GLY A 12 6.863 6.557 -8.428 1.00 0.00 O ATOM 0 H GLY A 12 5.939 2.325 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.478 4.437 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.739 4.310 -9.855 1.00 0.00 H new ATOM 161 N CYS A 13 5.662 5.262 -7.030 1.00 0.00 N ATOM 162 CA CYS A 13 5.395 6.313 -6.060 1.00 0.00 C ATOM 163 C CYS A 13 6.219 6.103 -4.791 1.00 0.00 C ATOM 164 O CYS A 13 6.815 7.044 -4.276 1.00 0.00 O ATOM 165 CB CYS A 13 3.898 6.299 -5.735 1.00 0.00 C ATOM 166 SG CYS A 13 3.027 7.872 -5.969 1.00 0.00 S ATOM 0 H CYS A 13 5.264 4.358 -6.777 1.00 0.00 H new ATOM 0 HA CYS A 13 5.678 7.279 -6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.417 5.543 -6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.773 5.987 -4.698 1.00 0.00 H new ATOM 171 N HIS A 14 6.245 4.864 -4.286 1.00 0.00 N ATOM 172 CA HIS A 14 6.874 4.515 -3.016 1.00 0.00 C ATOM 173 C HIS A 14 8.362 4.163 -3.102 1.00 0.00 C ATOM 174 O HIS A 14 9.048 4.183 -2.081 1.00 0.00 O ATOM 175 CB HIS A 14 6.094 3.358 -2.398 1.00 0.00 C ATOM 176 CG HIS A 14 4.757 3.762 -1.852 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.635 4.444 -0.654 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.477 3.611 -2.322 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.324 4.553 -0.397 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.562 3.966 -1.323 1.00 0.00 N ATOM 0 H HIS A 14 5.821 4.066 -4.759 1.00 0.00 H new ATOM 0 HA HIS A 14 6.839 5.409 -2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.951 2.583 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.687 2.918 -1.596 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.398 4.797 -0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.215 3.270 -3.313 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.926 5.062 0.468 1.00 0.00 H new ATOM 188 N GLY A 15 8.884 3.838 -4.283 1.00 0.00 N ATOM 189 CA GLY A 15 10.285 3.475 -4.439 1.00 0.00 C ATOM 190 C GLY A 15 10.517 1.983 -4.209 1.00 0.00 C ATOM 191 O GLY A 15 9.686 1.290 -3.623 1.00 0.00 O ATOM 0 H GLY A 15 8.349 3.820 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.620 3.744 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.889 4.049 -3.736 1.00 0.00 H new ATOM 195 N ALA A 16 11.669 1.493 -4.681 1.00 0.00 N ATOM 196 CA ALA A 16 12.057 0.089 -4.615 1.00 0.00 C ATOM 197 C ALA A 16 11.806 -0.514 -3.233 1.00 0.00 C ATOM 198 O ALA A 16 11.058 -1.478 -3.107 1.00 0.00 O ATOM 199 CB ALA A 16 13.526 -0.060 -5.023 1.00 0.00 C ATOM 0 H ALA A 16 12.371 2.081 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 16 11.433 -0.467 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.813 -1.110 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.659 0.304 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.152 0.520 -4.345 1.00 0.00 H new ATOM 205 N ASP A 17 12.405 0.072 -2.194 1.00 0.00 N ATOM 206 CA ASP A 17 12.276 -0.416 -0.824 1.00 0.00 C ATOM 207 C ASP A 17 11.258 0.420 -0.046 1.00 0.00 C ATOM 208 O ASP A 17 11.516 0.799 1.093 1.00 0.00 O ATOM 209 CB ASP A 17 13.654 -0.426 -0.149 1.00 0.00 C ATOM 210 CG ASP A 17 14.671 -1.242 -0.938 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.702 -2.475 -0.741 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.394 -0.613 -1.743 1.00 0.00 O ATOM 0 H ASP A 17 12.994 0.900 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 17 11.900 -1.439 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.014 0.598 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.562 -0.836 0.857 1.00 0.00 H new ATOM 217 N GLY A 18 10.137 0.765 -0.691 1.00 0.00 N ATOM 218 CA GLY A 18 9.012 1.522 -0.142 1.00 0.00 C ATOM 219 C GLY A 18 9.390 2.702 0.756 1.00 0.00 C ATOM 220 O GLY A 18 8.671 3.010 1.707 1.00 0.00 O ATOM 0 H GLY A 18 9.985 0.507 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.409 1.896 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.382 0.840 0.429 1.00 0.00 H new ATOM 224 N SER A 19 10.500 3.371 0.443 1.00 0.00 N ATOM 225 CA SER A 19 11.107 4.408 1.251 1.00 0.00 C ATOM 226 C SER A 19 10.616 5.823 0.937 1.00 0.00 C ATOM 227 O SER A 19 10.778 6.718 1.765 1.00 0.00 O ATOM 228 CB SER A 19 12.623 4.313 1.027 1.00 0.00 C ATOM 229 OG SER A 19 12.994 3.032 0.538 1.00 0.00 O ATOM 0 H SER A 19 11.016 3.191 -0.418 1.00 0.00 H new ATOM 0 HA SER A 19 10.824 4.240 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.937 5.080 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.144 4.512 1.963 1.00 0.00 H new ATOM 0 HG SER A 19 13.964 3.002 0.403 1.00 0.00 H new ATOM 235 N LYS A 20 10.072 6.062 -0.258 1.00 0.00 N ATOM 236 CA LYS A 20 9.677 7.406 -0.651 1.00 0.00 C ATOM 237 C LYS A 20 8.435 7.884 0.099 1.00 0.00 C ATOM 238 O LYS A 20 7.320 7.447 -0.191 1.00 0.00 O ATOM 239 CB LYS A 20 9.436 7.506 -2.163 1.00 0.00 C ATOM 240 CG LYS A 20 10.677 7.167 -2.994 1.00 0.00 C ATOM 241 CD LYS A 20 10.384 7.175 -4.504 1.00 0.00 C ATOM 242 CE LYS A 20 9.862 8.514 -5.041 1.00 0.00 C ATOM 243 NZ LYS A 20 10.769 9.631 -4.726 1.00 0.00 N ATOM 0 H LYS A 20 9.898 5.345 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 20 10.510 8.056 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.625 6.832 -2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.108 8.517 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.467 7.886 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.050 6.185 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.296 6.913 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.651 6.399 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.734 8.445 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.879 8.716 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.402 10.506 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.832 9.747 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.714 9.429 -5.110 1.00 0.00 H new ATOM 257 N ALA A 21 8.617 8.826 1.029 1.00 0.00 N ATOM 258 CA ALA A 21 7.514 9.522 1.678 1.00 0.00 C ATOM 259 C ALA A 21 7.017 10.559 0.666 1.00 0.00 C ATOM 260 O ALA A 21 7.233 11.757 0.824 1.00 0.00 O ATOM 261 CB ALA A 21 7.999 10.160 2.984 1.00 0.00 C ATOM 0 H ALA A 21 9.538 9.125 1.350 1.00 0.00 H new ATOM 0 HA ALA A 21 6.699 8.853 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.170 10.679 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.377 9.384 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.796 10.871 2.767 1.00 0.00 H new ATOM 267 N ALA A 22 6.410 10.055 -0.410 1.00 0.00 N ATOM 268 CA ALA A 22 5.991 10.798 -1.586 1.00 0.00 C ATOM 269 C ALA A 22 4.701 11.599 -1.375 1.00 0.00 C ATOM 270 O ALA A 22 4.690 12.506 -0.543 1.00 0.00 O ATOM 271 CB ALA A 22 6.028 9.825 -2.768 1.00 0.00 C ATOM 0 H ALA A 22 6.188 9.062 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 22 6.680 11.611 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.719 10.343 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.042 9.444 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.350 8.994 -2.576 1.00 0.00 H new ATOM 277 N MET A 23 3.634 11.329 -2.139 1.00 0.00 N ATOM 278 CA MET A 23 2.408 12.123 -2.062 1.00 0.00 C ATOM 279 C MET A 23 1.967 12.364 -0.612 1.00 0.00 C ATOM 280 O MET A 23 1.894 11.435 0.190 1.00 0.00 O ATOM 281 CB MET A 23 1.279 11.509 -2.899 1.00 0.00 C ATOM 282 CG MET A 23 1.550 11.638 -4.403 1.00 0.00 C ATOM 283 SD MET A 23 0.201 11.045 -5.458 1.00 0.00 S ATOM 284 CE MET A 23 0.938 11.314 -7.084 1.00 0.00 C ATOM 0 H MET A 23 3.599 10.567 -2.816 1.00 0.00 H new ATOM 0 HA MET A 23 2.638 13.098 -2.492 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.165 10.457 -2.639 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.337 12.001 -2.656 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.745 12.685 -4.637 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.456 11.083 -4.646 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.237 11.000 -7.858 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.167 12.372 -7.209 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.856 10.732 -7.168 1.00 0.00 H new ATOM 294 N GLY A 24 1.736 13.639 -0.282 1.00 0.00 N ATOM 295 CA GLY A 24 1.319 14.096 1.034 1.00 0.00 C ATOM 296 C GLY A 24 2.246 13.654 2.167 1.00 0.00 C ATOM 297 O GLY A 24 1.801 13.592 3.310 1.00 0.00 O ATOM 0 H GLY A 24 1.840 14.402 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.262 15.184 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.314 13.725 1.235 1.00 0.00 H new ATOM 301 N SER A 25 3.519 13.362 1.878 1.00 0.00 N ATOM 302 CA SER A 25 4.479 12.900 2.870 1.00 0.00 C ATOM 303 C SER A 25 3.997 11.609 3.533 1.00 0.00 C ATOM 304 O SER A 25 3.933 11.500 4.755 1.00 0.00 O ATOM 305 CB SER A 25 4.793 13.998 3.888 1.00 0.00 C ATOM 306 OG SER A 25 5.190 15.181 3.219 1.00 0.00 O ATOM 0 H SER A 25 3.909 13.443 0.939 1.00 0.00 H new ATOM 0 HA SER A 25 5.415 12.668 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.916 14.196 4.504 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.585 13.667 4.559 1.00 0.00 H new ATOM 0 HG SER A 25 5.387 15.879 3.878 1.00 0.00 H new ATOM 312 N ALA A 26 3.644 10.639 2.692 1.00 0.00 N ATOM 313 CA ALA A 26 3.177 9.320 3.091 1.00 0.00 C ATOM 314 C ALA A 26 4.114 8.658 4.107 1.00 0.00 C ATOM 315 O ALA A 26 5.326 8.687 3.912 1.00 0.00 O ATOM 316 CB ALA A 26 3.113 8.442 1.837 1.00 0.00 C ATOM 0 H ALA A 26 3.678 10.758 1.679 1.00 0.00 H new ATOM 0 HA ALA A 26 2.200 9.428 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.765 7.445 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.423 8.884 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.105 8.371 1.391 1.00 0.00 H new ATOM 322 N LYS A 27 3.577 8.042 5.170 1.00 0.00 N ATOM 323 CA LYS A 27 4.373 7.220 6.083 1.00 0.00 C ATOM 324 C LYS A 27 5.037 6.156 5.200 1.00 0.00 C ATOM 325 O LYS A 27 4.317 5.326 4.642 1.00 0.00 O ATOM 326 CB LYS A 27 3.486 6.540 7.142 1.00 0.00 C ATOM 327 CG LYS A 27 2.763 7.538 8.056 1.00 0.00 C ATOM 328 CD LYS A 27 3.671 8.075 9.170 1.00 0.00 C ATOM 329 CE LYS A 27 2.995 9.235 9.912 1.00 0.00 C ATOM 330 NZ LYS A 27 1.678 8.855 10.455 1.00 0.00 N ATOM 0 H LYS A 27 2.589 8.100 5.417 1.00 0.00 H new ATOM 0 HA LYS A 27 5.099 7.827 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.747 5.915 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.102 5.879 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.393 8.372 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.893 7.055 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.904 7.275 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.616 8.411 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.639 9.569 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.876 10.079 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.341 9.598 11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.000 8.741 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.762 7.958 10.974 1.00 0.00 H new ATOM 344 N PRO A 28 6.367 6.166 5.033 1.00 0.00 N ATOM 345 CA PRO A 28 7.026 5.323 4.056 1.00 0.00 C ATOM 346 C PRO A 28 6.834 3.835 4.342 1.00 0.00 C ATOM 347 O PRO A 28 7.449 3.297 5.255 1.00 0.00 O ATOM 348 CB PRO A 28 8.497 5.751 4.067 1.00 0.00 C ATOM 349 CG PRO A 28 8.693 6.313 5.474 1.00 0.00 C ATOM 350 CD PRO A 28 7.337 6.948 5.782 1.00 0.00 C ATOM 0 HA PRO A 28 6.593 5.452 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.162 4.909 3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.703 6.501 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.944 5.530 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.499 7.046 5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.124 6.920 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.315 7.995 5.480 1.00 0.00 H new ATOM 358 N VAL A 29 5.991 3.206 3.513 1.00 0.00 N ATOM 359 CA VAL A 29 5.617 1.796 3.463 1.00 0.00 C ATOM 360 C VAL A 29 6.638 0.872 4.107 1.00 0.00 C ATOM 361 O VAL A 29 6.245 0.023 4.905 1.00 0.00 O ATOM 362 CB VAL A 29 5.452 1.420 1.981 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.492 -0.087 1.697 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.112 1.949 1.463 1.00 0.00 C ATOM 0 H VAL A 29 5.506 3.733 2.786 1.00 0.00 H new ATOM 0 HA VAL A 29 4.696 1.668 4.031 1.00 0.00 H new ATOM 0 HB VAL A 29 6.305 1.871 1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.368 -0.259 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.450 -0.493 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.686 -0.581 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.997 1.682 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.299 1.509 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.085 3.034 1.566 1.00 0.00 H new ATOM 374 N LYS A 30 7.892 0.999 3.657 1.00 0.00 N ATOM 375 CA LYS A 30 9.071 0.242 4.057 1.00 0.00 C ATOM 376 C LYS A 30 8.879 -0.500 5.389 1.00 0.00 C ATOM 377 O LYS A 30 9.211 0.010 6.458 1.00 0.00 O ATOM 378 CB LYS A 30 10.255 1.212 4.111 1.00 0.00 C ATOM 379 CG LYS A 30 11.566 0.455 4.347 1.00 0.00 C ATOM 380 CD LYS A 30 12.787 1.378 4.329 1.00 0.00 C ATOM 381 CE LYS A 30 14.065 0.558 4.549 1.00 0.00 C ATOM 382 NZ LYS A 30 14.289 -0.422 3.468 1.00 0.00 N ATOM 0 H LYS A 30 8.121 1.693 2.945 1.00 0.00 H new ATOM 0 HA LYS A 30 9.259 -0.542 3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.316 1.772 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.100 1.938 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.517 -0.059 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.682 -0.311 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.842 1.904 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.692 2.136 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.921 1.231 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.000 0.036 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.212 -0.882 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.537 -1.141 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.276 0.065 2.549 1.00 0.00 H new ATOM 396 N GLY A 31 8.307 -1.700 5.312 1.00 0.00 N ATOM 397 CA GLY A 31 8.066 -2.569 6.441 1.00 0.00 C ATOM 398 C GLY A 31 7.347 -1.924 7.633 1.00 0.00 C ATOM 399 O GLY A 31 7.822 -2.110 8.751 1.00 0.00 O ATOM 0 H GLY A 31 7.991 -2.099 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.476 -3.421 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.023 -2.961 6.786 1.00 0.00 H new ATOM 403 N GLN A 32 6.209 -1.221 7.450 1.00 0.00 N ATOM 404 CA GLN A 32 5.470 -0.689 8.617 1.00 0.00 C ATOM 405 C GLN A 32 5.231 -1.837 9.612 1.00 0.00 C ATOM 406 O GLN A 32 5.521 -1.760 10.802 1.00 0.00 O ATOM 407 CB GLN A 32 4.108 -0.017 8.305 1.00 0.00 C ATOM 408 CG GLN A 32 3.866 0.737 6.991 1.00 0.00 C ATOM 409 CD GLN A 32 4.388 2.171 6.884 1.00 0.00 C ATOM 410 OE1 GLN A 32 5.477 2.495 7.339 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.579 3.024 6.250 1.00 0.00 N ATOM 0 H GLN A 32 5.793 -1.014 6.542 1.00 0.00 H new ATOM 0 HA GLN A 32 6.100 0.104 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.349 -0.797 8.367 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.909 0.686 9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.314 0.157 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.791 0.758 6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.681 2.703 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.860 3.997 6.126 1.00 0.00 H new ATOM 420 N GLY A 33 4.678 -2.905 9.045 1.00 0.00 N ATOM 421 CA GLY A 33 4.380 -4.197 9.646 1.00 0.00 C ATOM 422 C GLY A 33 3.226 -4.833 8.873 1.00 0.00 C ATOM 423 O GLY A 33 2.272 -4.134 8.563 1.00 0.00 O ATOM 0 H GLY A 33 4.403 -2.884 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.258 -4.842 9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.112 -4.074 10.695 1.00 0.00 H new ATOM 427 N ALA A 34 3.287 -6.121 8.525 1.00 0.00 N ATOM 428 CA ALA A 34 2.232 -6.816 7.782 1.00 0.00 C ATOM 429 C ALA A 34 0.850 -6.501 8.349 1.00 0.00 C ATOM 430 O ALA A 34 -0.083 -6.275 7.588 1.00 0.00 O ATOM 431 CB ALA A 34 2.459 -8.333 7.789 1.00 0.00 C ATOM 0 H ALA A 34 4.081 -6.719 8.754 1.00 0.00 H new ATOM 0 HA ALA A 34 2.276 -6.457 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.661 -8.823 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.419 -8.559 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.458 -8.696 8.817 1.00 0.00 H new ATOM 437 N GLU A 35 0.728 -6.470 9.677 1.00 0.00 N ATOM 438 CA GLU A 35 -0.509 -6.137 10.356 1.00 0.00 C ATOM 439 C GLU A 35 -1.003 -4.754 9.917 1.00 0.00 C ATOM 440 O GLU A 35 -2.118 -4.623 9.415 1.00 0.00 O ATOM 441 CB GLU A 35 -0.345 -6.233 11.885 1.00 0.00 C ATOM 442 CG GLU A 35 0.969 -5.725 12.510 1.00 0.00 C ATOM 443 CD GLU A 35 2.092 -6.757 12.467 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.152 -7.580 13.405 1.00 0.00 O ATOM 445 OE2 GLU A 35 2.859 -6.710 11.480 1.00 0.00 O ATOM 0 H GLU A 35 1.499 -6.679 10.312 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.269 -6.865 10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.166 -5.682 12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.466 -7.279 12.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.290 -4.826 11.984 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.785 -5.440 13.546 1.00 0.00 H new ATOM 452 N GLU A 36 -0.162 -3.734 10.107 1.00 0.00 N ATOM 453 CA GLU A 36 -0.419 -2.360 9.771 1.00 0.00 C ATOM 454 C GLU A 36 -0.803 -2.277 8.301 1.00 0.00 C ATOM 455 O GLU A 36 -1.885 -1.817 7.945 1.00 0.00 O ATOM 456 CB GLU A 36 0.902 -1.623 10.025 1.00 0.00 C ATOM 457 CG GLU A 36 1.162 -1.280 11.489 1.00 0.00 C ATOM 458 CD GLU A 36 0.236 -0.172 11.984 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.347 0.945 11.432 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.576 -0.466 12.886 1.00 0.00 O ATOM 0 H GLU A 36 0.760 -3.868 10.522 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.231 -1.926 10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.723 -2.238 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.908 -0.702 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.023 -2.171 12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.199 -0.968 11.611 1.00 0.00 H new ATOM 467 N LEU A 37 0.112 -2.751 7.461 1.00 0.00 N ATOM 468 CA LEU A 37 0.003 -2.782 6.040 1.00 0.00 C ATOM 469 C LEU A 37 -1.352 -3.368 5.638 1.00 0.00 C ATOM 470 O LEU A 37 -2.166 -2.646 5.075 1.00 0.00 O ATOM 471 CB LEU A 37 1.214 -3.593 5.583 1.00 0.00 C ATOM 472 CG LEU A 37 2.547 -2.825 5.673 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.701 -3.775 5.345 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.574 -1.639 4.709 1.00 0.00 C ATOM 0 H LEU A 37 0.994 -3.142 7.792 1.00 0.00 H new ATOM 0 HA LEU A 37 0.021 -1.802 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.284 -4.496 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.058 -3.912 4.552 1.00 0.00 H new ATOM 0 HG LEU A 37 2.652 -2.440 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.646 -3.235 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.707 -4.600 6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.574 -4.167 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.528 -1.119 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.450 -1.998 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.763 -0.953 4.953 1.00 0.00 H new ATOM 486 N TYR A 38 -1.613 -4.642 5.948 1.00 0.00 N ATOM 487 CA TYR A 38 -2.860 -5.333 5.645 1.00 0.00 C ATOM 488 C TYR A 38 -4.056 -4.497 6.035 1.00 0.00 C ATOM 489 O TYR A 38 -4.934 -4.241 5.220 1.00 0.00 O ATOM 490 CB TYR A 38 -2.952 -6.665 6.395 1.00 0.00 C ATOM 491 CG TYR A 38 -4.076 -7.589 5.937 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.402 -7.725 4.570 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.834 -8.286 6.896 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.522 -8.477 4.177 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.922 -9.082 6.497 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.278 -9.161 5.141 1.00 0.00 C ATOM 497 OH TYR A 38 -7.384 -9.871 4.778 1.00 0.00 O ATOM 0 H TYR A 38 -0.938 -5.235 6.432 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.864 -5.511 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.003 -7.191 6.287 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.083 -6.458 7.457 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.787 -7.248 3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.579 -8.209 7.943 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.800 -8.528 3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.485 -9.634 7.235 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.551 -9.750 3.820 1.00 0.00 H new ATOM 507 N LYS A 39 -4.082 -4.110 7.304 1.00 0.00 N ATOM 508 CA LYS A 39 -5.169 -3.303 7.841 1.00 0.00 C ATOM 509 C LYS A 39 -5.428 -2.057 6.990 1.00 0.00 C ATOM 510 O LYS A 39 -6.573 -1.803 6.626 1.00 0.00 O ATOM 511 CB LYS A 39 -4.915 -2.946 9.311 1.00 0.00 C ATOM 512 CG LYS A 39 -5.067 -4.153 10.249 1.00 0.00 C ATOM 513 CD LYS A 39 -6.536 -4.516 10.502 1.00 0.00 C ATOM 514 CE LYS A 39 -6.626 -5.684 11.490 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.026 -6.065 11.745 1.00 0.00 N ATOM 0 H LYS A 39 -3.358 -4.344 7.983 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.077 -3.905 7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.910 -2.536 9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.610 -2.164 9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.552 -5.012 9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.581 -3.934 11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.069 -3.652 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.019 -4.786 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.081 -6.541 11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.146 -5.407 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.053 -6.858 12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.539 -5.254 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.476 -6.353 10.852 1.00 0.00 H new ATOM 529 N LYS A 40 -4.402 -1.276 6.651 1.00 0.00 N ATOM 530 CA LYS A 40 -4.565 -0.086 5.844 1.00 0.00 C ATOM 531 C LYS A 40 -4.922 -0.425 4.388 1.00 0.00 C ATOM 532 O LYS A 40 -5.820 0.213 3.842 1.00 0.00 O ATOM 533 CB LYS A 40 -3.270 0.719 5.946 1.00 0.00 C ATOM 534 CG LYS A 40 -3.225 1.651 7.167 1.00 0.00 C ATOM 535 CD LYS A 40 -2.697 1.003 8.450 1.00 0.00 C ATOM 536 CE LYS A 40 -2.593 2.015 9.597 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.713 3.150 9.255 1.00 0.00 N ATOM 0 H LYS A 40 -3.439 -1.458 6.932 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.401 0.507 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.426 0.031 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.148 1.313 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.600 2.511 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.230 2.030 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.357 0.187 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.716 0.567 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.587 2.388 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.211 1.516 10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.303 3.546 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.949 2.821 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.266 3.884 8.768 1.00 0.00 H new ATOM 551 N MET A 41 -4.262 -1.392 3.731 1.00 0.00 N ATOM 552 CA MET A 41 -4.636 -1.741 2.359 1.00 0.00 C ATOM 553 C MET A 41 -6.078 -2.263 2.317 1.00 0.00 C ATOM 554 O MET A 41 -6.818 -1.926 1.393 1.00 0.00 O ATOM 555 CB MET A 41 -3.579 -2.571 1.588 1.00 0.00 C ATOM 556 CG MET A 41 -2.797 -3.738 2.234 1.00 0.00 C ATOM 557 SD MET A 41 -1.008 -3.496 2.269 1.00 0.00 S ATOM 558 CE MET A 41 -0.785 -3.107 0.518 1.00 0.00 C ATOM 0 H MET A 41 -3.488 -1.931 4.118 1.00 0.00 H new ATOM 0 HA MET A 41 -4.633 -0.825 1.767 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.084 -2.982 0.714 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.835 -1.863 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.154 -3.880 3.254 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.018 -4.655 1.689 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.123 -3.586 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.642 -3.473 -0.048 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.701 -2.027 0.393 1.00 0.00 H new ATOM 568 N LYS A 42 -6.516 -3.007 3.339 1.00 0.00 N ATOM 569 CA LYS A 42 -7.909 -3.408 3.467 1.00 0.00 C ATOM 570 C LYS A 42 -8.743 -2.143 3.683 1.00 0.00 C ATOM 571 O LYS A 42 -9.782 -1.983 3.058 1.00 0.00 O ATOM 572 CB LYS A 42 -8.082 -4.419 4.606 1.00 0.00 C ATOM 573 CG LYS A 42 -9.537 -4.913 4.678 1.00 0.00 C ATOM 574 CD LYS A 42 -9.764 -5.951 5.785 1.00 0.00 C ATOM 575 CE LYS A 42 -8.926 -7.210 5.545 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.332 -8.318 6.426 1.00 0.00 N ATOM 0 H LYS A 42 -5.915 -3.343 4.092 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.249 -3.911 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.413 -5.265 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.802 -3.959 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.196 -4.061 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.815 -5.347 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.506 -5.518 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.820 -6.217 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.025 -7.519 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.873 -6.982 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.811 -9.179 6.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.119 -8.072 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.353 -8.486 6.324 1.00 0.00 H new ATOM 590 N GLY A 43 -8.277 -1.252 4.560 1.00 0.00 N ATOM 591 CA GLY A 43 -8.822 0.065 4.845 1.00 0.00 C ATOM 592 C GLY A 43 -9.272 0.769 3.571 1.00 0.00 C ATOM 593 O GLY A 43 -10.425 1.177 3.413 1.00 0.00 O ATOM 0 H GLY A 43 -7.452 -1.451 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.666 -0.029 5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.069 0.670 5.350 1.00 0.00 H new ATOM 597 N TYR A 44 -8.290 0.929 2.686 1.00 0.00 N ATOM 598 CA TYR A 44 -8.424 1.592 1.408 1.00 0.00 C ATOM 599 C TYR A 44 -9.330 0.781 0.486 1.00 0.00 C ATOM 600 O TYR A 44 -10.285 1.319 -0.069 1.00 0.00 O ATOM 601 CB TYR A 44 -7.031 1.775 0.800 1.00 0.00 C ATOM 602 CG TYR A 44 -6.115 2.763 1.507 1.00 0.00 C ATOM 603 CD1 TYR A 44 -6.527 4.091 1.721 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.800 2.390 1.849 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.640 5.025 2.280 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.903 3.336 2.373 1.00 0.00 C ATOM 607 CZ TYR A 44 -4.311 4.663 2.548 1.00 0.00 C ATOM 608 OH TYR A 44 -3.406 5.591 2.963 1.00 0.00 O ATOM 0 H TYR A 44 -7.345 0.584 2.855 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.884 2.571 1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.536 0.804 0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.148 2.096 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.529 4.393 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.479 1.369 1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.982 6.025 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.900 3.039 2.640 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.536 5.161 3.101 1.00 0.00 H new ATOM 618 N ALA A 45 -9.058 -0.517 0.325 1.00 0.00 N ATOM 619 CA ALA A 45 -9.868 -1.380 -0.527 1.00 0.00 C ATOM 620 C ALA A 45 -11.342 -1.369 -0.108 1.00 0.00 C ATOM 621 O ALA A 45 -12.229 -1.450 -0.953 1.00 0.00 O ATOM 622 CB ALA A 45 -9.303 -2.799 -0.515 1.00 0.00 C ATOM 0 H ALA A 45 -8.277 -0.992 0.778 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.825 -0.992 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.912 -3.439 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.278 -2.786 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.314 -3.187 0.504 1.00 0.00 H new ATOM 628 N ASP A 46 -11.603 -1.251 1.194 1.00 0.00 N ATOM 629 CA ASP A 46 -12.942 -1.206 1.764 1.00 0.00 C ATOM 630 C ASP A 46 -13.563 0.190 1.620 1.00 0.00 C ATOM 631 O ASP A 46 -14.750 0.367 1.876 1.00 0.00 O ATOM 632 CB ASP A 46 -12.845 -1.631 3.234 1.00 0.00 C ATOM 633 CG ASP A 46 -14.194 -1.630 3.944 1.00 0.00 C ATOM 634 OD1 ASP A 46 -15.066 -2.417 3.518 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.311 -0.858 4.921 1.00 0.00 O ATOM 0 H ASP A 46 -10.867 -1.183 1.897 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.599 -1.889 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.412 -2.630 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.165 -0.959 3.757 1.00 0.00 H new ATOM 640 N GLY A 47 -12.772 1.191 1.223 1.00 0.00 N ATOM 641 CA GLY A 47 -13.232 2.559 1.063 1.00 0.00 C ATOM 642 C GLY A 47 -13.578 3.210 2.402 1.00 0.00 C ATOM 643 O GLY A 47 -14.326 4.185 2.426 1.00 0.00 O ATOM 0 H GLY A 47 -11.784 1.065 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.460 3.145 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.109 2.573 0.416 1.00 0.00 H new ATOM 647 N SER A 48 -13.041 2.688 3.510 1.00 0.00 N ATOM 648 CA SER A 48 -13.256 3.242 4.838 1.00 0.00 C ATOM 649 C SER A 48 -12.060 4.125 5.172 1.00 0.00 C ATOM 650 O SER A 48 -12.213 5.291 5.528 1.00 0.00 O ATOM 651 CB SER A 48 -13.436 2.104 5.845 1.00 0.00 C ATOM 652 OG SER A 48 -12.499 1.073 5.600 1.00 0.00 O ATOM 0 H SER A 48 -12.441 1.863 3.503 1.00 0.00 H new ATOM 0 HA SER A 48 -14.162 3.847 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.310 2.484 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.449 1.707 5.777 1.00 0.00 H new ATOM 0 HG SER A 48 -12.974 0.249 5.364 1.00 0.00 H new ATOM 658 N TYR A 49 -10.858 3.560 5.054 1.00 0.00 N ATOM 659 CA TYR A 49 -9.630 4.307 5.250 1.00 0.00 C ATOM 660 C TYR A 49 -9.432 5.175 4.005 1.00 0.00 C ATOM 661 O TYR A 49 -9.586 4.676 2.893 1.00 0.00 O ATOM 662 CB TYR A 49 -8.466 3.327 5.428 1.00 0.00 C ATOM 663 CG TYR A 49 -7.217 3.919 6.014 1.00 0.00 C ATOM 664 CD1 TYR A 49 -7.231 4.378 7.340 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.995 3.738 5.351 1.00 0.00 C ATOM 666 CE1 TYR A 49 -6.030 4.722 7.974 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.804 4.157 5.953 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.819 4.677 7.259 1.00 0.00 C ATOM 669 OH TYR A 49 -3.644 4.976 7.880 1.00 0.00 O ATOM 0 H TYR A 49 -10.716 2.577 4.821 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.676 4.935 6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.796 2.508 6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.224 2.895 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.167 4.466 7.871 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.973 3.275 4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.034 5.022 9.012 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.871 4.081 5.414 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.906 4.894 7.240 1.00 0.00 H new ATOM 679 N GLY A 50 -9.105 6.461 4.158 1.00 0.00 N ATOM 680 CA GLY A 50 -8.919 7.337 3.014 1.00 0.00 C ATOM 681 C GLY A 50 -8.762 8.787 3.460 1.00 0.00 C ATOM 682 O GLY A 50 -8.696 9.069 4.656 1.00 0.00 O ATOM 0 H GLY A 50 -8.965 6.911 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.037 7.027 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.772 7.249 2.341 1.00 0.00 H new ATOM 686 N GLY A 51 -8.670 9.698 2.490 1.00 0.00 N ATOM 687 CA GLY A 51 -8.505 11.130 2.676 1.00 0.00 C ATOM 688 C GLY A 51 -7.969 11.701 1.366 1.00 0.00 C ATOM 689 O GLY A 51 -7.510 10.931 0.526 1.00 0.00 O ATOM 0 H GLY A 51 -8.711 9.438 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.455 11.595 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.815 11.334 3.495 1.00 0.00 H new ATOM 693 N GLU A 52 -7.998 13.027 1.189 1.00 0.00 N ATOM 694 CA GLU A 52 -7.567 13.691 -0.042 1.00 0.00 C ATOM 695 C GLU A 52 -6.215 13.163 -0.537 1.00 0.00 C ATOM 696 O GLU A 52 -6.120 12.599 -1.625 1.00 0.00 O ATOM 697 CB GLU A 52 -7.526 15.211 0.168 1.00 0.00 C ATOM 698 CG GLU A 52 -8.917 15.789 0.462 1.00 0.00 C ATOM 699 CD GLU A 52 -8.853 17.304 0.627 1.00 0.00 C ATOM 700 OE1 GLU A 52 -8.432 17.734 1.723 1.00 0.00 O ATOM 701 OE2 GLU A 52 -9.211 18.001 -0.347 1.00 0.00 O ATOM 0 H GLU A 52 -8.325 13.674 1.906 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.296 13.463 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.854 15.445 0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.116 15.689 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.599 15.536 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.319 15.337 1.369 1.00 0.00 H new ATOM 708 N ARG A 53 -5.173 13.309 0.287 1.00 0.00 N ATOM 709 CA ARG A 53 -3.827 12.839 -0.034 1.00 0.00 C ATOM 710 C ARG A 53 -3.802 11.343 -0.366 1.00 0.00 C ATOM 711 O ARG A 53 -2.936 10.888 -1.109 1.00 0.00 O ATOM 712 CB ARG A 53 -2.868 13.164 1.124 1.00 0.00 C ATOM 713 CG ARG A 53 -3.187 12.381 2.409 1.00 0.00 C ATOM 714 CD ARG A 53 -2.488 12.976 3.639 1.00 0.00 C ATOM 715 NE ARG A 53 -1.064 12.611 3.718 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.592 11.509 4.320 1.00 0.00 C ATOM 717 NH1 ARG A 53 -1.408 10.508 4.660 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.708 11.412 4.600 1.00 0.00 N ATOM 0 H ARG A 53 -5.243 13.759 1.200 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.494 13.364 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.846 12.943 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.913 14.232 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.265 12.377 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.880 11.343 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.579 14.062 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.996 12.635 4.541 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.389 13.240 3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.406 10.574 4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.033 9.677 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.340 12.174 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.070 10.575 5.058 1.00 0.00 H new ATOM 732 N LYS A 54 -4.750 10.584 0.191 1.00 0.00 N ATOM 733 CA LYS A 54 -4.849 9.149 0.025 1.00 0.00 C ATOM 734 C LYS A 54 -5.785 8.771 -1.129 1.00 0.00 C ATOM 735 O LYS A 54 -6.026 7.588 -1.325 1.00 0.00 O ATOM 736 CB LYS A 54 -5.336 8.505 1.333 1.00 0.00 C ATOM 737 CG LYS A 54 -4.856 9.203 2.615 1.00 0.00 C ATOM 738 CD LYS A 54 -5.183 8.367 3.863 1.00 0.00 C ATOM 739 CE LYS A 54 -5.030 9.129 5.184 1.00 0.00 C ATOM 740 NZ LYS A 54 -6.037 10.194 5.330 1.00 0.00 N ATOM 0 H LYS A 54 -5.485 10.970 0.784 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.856 8.773 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.426 8.491 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.004 7.467 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.780 9.371 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.328 10.182 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.206 8.000 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.532 7.493 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.118 8.431 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.032 9.565 5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.031 10.546 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.814 10.974 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.979 9.815 5.105 1.00 0.00 H new ATOM 754 N ALA A 55 -6.337 9.716 -1.895 1.00 0.00 N ATOM 755 CA ALA A 55 -7.292 9.380 -2.951 1.00 0.00 C ATOM 756 C ALA A 55 -6.671 8.488 -4.032 1.00 0.00 C ATOM 757 O ALA A 55 -7.173 7.399 -4.321 1.00 0.00 O ATOM 758 CB ALA A 55 -7.876 10.664 -3.547 1.00 0.00 C ATOM 0 H ALA A 55 -6.140 10.713 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.100 8.799 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.587 10.410 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.385 11.229 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.072 11.269 -3.967 1.00 0.00 H new ATOM 764 N MET A 56 -5.569 8.959 -4.621 1.00 0.00 N ATOM 765 CA MET A 56 -4.833 8.252 -5.663 1.00 0.00 C ATOM 766 C MET A 56 -4.488 6.852 -5.149 1.00 0.00 C ATOM 767 O MET A 56 -4.809 5.840 -5.769 1.00 0.00 O ATOM 768 CB MET A 56 -3.559 9.033 -6.031 1.00 0.00 C ATOM 769 CG MET A 56 -3.820 10.348 -6.788 1.00 0.00 C ATOM 770 SD MET A 56 -4.596 11.726 -5.894 1.00 0.00 S ATOM 771 CE MET A 56 -3.289 12.175 -4.731 1.00 0.00 C ATOM 0 H MET A 56 -5.158 9.861 -4.380 1.00 0.00 H new ATOM 0 HA MET A 56 -5.442 8.166 -6.563 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.007 9.256 -5.118 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.920 8.396 -6.642 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.865 10.701 -7.177 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.448 10.116 -7.648 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.615 13.021 -4.126 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.072 11.326 -4.082 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.390 12.449 -5.282 1.00 0.00 H new ATOM 781 N MET A 57 -3.857 6.836 -3.975 1.00 0.00 N ATOM 782 CA MET A 57 -3.472 5.663 -3.215 1.00 0.00 C ATOM 783 C MET A 57 -4.646 4.683 -3.132 1.00 0.00 C ATOM 784 O MET A 57 -4.533 3.528 -3.544 1.00 0.00 O ATOM 785 CB MET A 57 -3.015 6.170 -1.837 1.00 0.00 C ATOM 786 CG MET A 57 -2.850 5.088 -0.775 1.00 0.00 C ATOM 787 SD MET A 57 -1.802 3.720 -1.298 1.00 0.00 S ATOM 788 CE MET A 57 -2.621 2.303 -0.553 1.00 0.00 C ATOM 0 H MET A 57 -3.587 7.701 -3.506 1.00 0.00 H new ATOM 0 HA MET A 57 -2.659 5.111 -3.686 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.065 6.690 -1.955 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.737 6.903 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.428 5.535 0.125 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.833 4.700 -0.507 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.381 1.404 -1.121 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.280 2.185 0.475 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.700 2.460 -0.561 1.00 0.00 H new ATOM 798 N THR A 58 -5.785 5.166 -2.625 1.00 0.00 N ATOM 799 CA THR A 58 -6.995 4.373 -2.471 1.00 0.00 C ATOM 800 C THR A 58 -7.352 3.696 -3.789 1.00 0.00 C ATOM 801 O THR A 58 -7.467 2.473 -3.834 1.00 0.00 O ATOM 802 CB THR A 58 -8.166 5.209 -1.924 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.846 5.719 -0.649 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.436 4.370 -1.756 1.00 0.00 C ATOM 0 H THR A 58 -5.887 6.130 -2.308 1.00 0.00 H new ATOM 0 HA THR A 58 -6.798 3.598 -1.730 1.00 0.00 H new ATOM 0 HB THR A 58 -8.339 6.008 -2.645 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.355 6.561 -0.747 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.238 4.998 -1.368 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.731 3.960 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.244 3.555 -1.059 1.00 0.00 H new ATOM 812 N ASN A 59 -7.519 4.468 -4.867 1.00 0.00 N ATOM 813 CA ASN A 59 -7.889 3.862 -6.142 1.00 0.00 C ATOM 814 C ASN A 59 -6.819 2.875 -6.606 1.00 0.00 C ATOM 815 O ASN A 59 -7.160 1.820 -7.140 1.00 0.00 O ATOM 816 CB ASN A 59 -8.147 4.921 -7.217 1.00 0.00 C ATOM 817 CG ASN A 59 -8.957 4.410 -8.419 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.559 5.217 -9.118 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.028 3.106 -8.700 1.00 0.00 N ATOM 0 H ASN A 59 -7.407 5.482 -4.882 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.819 3.316 -5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.677 5.760 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.190 5.303 -7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.582 2.785 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.528 2.431 -8.121 1.00 0.00 H new ATOM 826 N ALA A 60 -5.539 3.203 -6.413 1.00 0.00 N ATOM 827 CA ALA A 60 -4.453 2.340 -6.848 1.00 0.00 C ATOM 828 C ALA A 60 -4.580 0.962 -6.199 1.00 0.00 C ATOM 829 O ALA A 60 -4.559 -0.055 -6.889 1.00 0.00 O ATOM 830 CB ALA A 60 -3.099 2.994 -6.551 1.00 0.00 C ATOM 0 H ALA A 60 -5.235 4.063 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.516 2.200 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.296 2.335 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.030 3.945 -7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.006 3.168 -5.479 1.00 0.00 H new ATOM 836 N VAL A 61 -4.733 0.921 -4.874 1.00 0.00 N ATOM 837 CA VAL A 61 -4.824 -0.348 -4.162 1.00 0.00 C ATOM 838 C VAL A 61 -6.199 -1.014 -4.308 1.00 0.00 C ATOM 839 O VAL A 61 -6.281 -2.240 -4.272 1.00 0.00 O ATOM 840 CB VAL A 61 -4.388 -0.156 -2.706 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.406 0.644 -1.893 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.136 -1.493 -2.008 1.00 0.00 C ATOM 0 H VAL A 61 -4.796 1.747 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.134 -1.054 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.457 0.409 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.050 0.752 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.533 1.631 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.362 0.121 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.829 -1.313 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.051 -2.086 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.349 -2.034 -2.532 1.00 0.00 H new ATOM 852 N LYS A 62 -7.274 -0.235 -4.498 1.00 0.00 N ATOM 853 CA LYS A 62 -8.640 -0.738 -4.656 1.00 0.00 C ATOM 854 C LYS A 62 -8.714 -1.836 -5.721 1.00 0.00 C ATOM 855 O LYS A 62 -9.571 -2.712 -5.650 1.00 0.00 O ATOM 856 CB LYS A 62 -9.575 0.440 -4.993 1.00 0.00 C ATOM 857 CG LYS A 62 -11.043 0.091 -5.300 1.00 0.00 C ATOM 858 CD LYS A 62 -11.856 -0.439 -4.107 1.00 0.00 C ATOM 859 CE LYS A 62 -12.582 0.662 -3.318 1.00 0.00 C ATOM 860 NZ LYS A 62 -11.664 1.547 -2.582 1.00 0.00 N ATOM 0 H LYS A 62 -7.213 0.782 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.963 -1.192 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.559 1.138 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.163 0.966 -5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.537 0.981 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.063 -0.656 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.590 -1.158 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.188 -0.977 -3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.180 1.260 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.274 0.200 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.208 2.145 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.986 0.972 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.149 2.150 -3.255 1.00 0.00 H new ATOM 874 N LYS A 63 -7.825 -1.785 -6.716 1.00 0.00 N ATOM 875 CA LYS A 63 -7.797 -2.762 -7.789 1.00 0.00 C ATOM 876 C LYS A 63 -7.512 -4.193 -7.283 1.00 0.00 C ATOM 877 O LYS A 63 -7.868 -5.161 -7.952 1.00 0.00 O ATOM 878 CB LYS A 63 -6.754 -2.355 -8.842 1.00 0.00 C ATOM 879 CG LYS A 63 -6.818 -0.884 -9.288 1.00 0.00 C ATOM 880 CD LYS A 63 -8.216 -0.380 -9.678 1.00 0.00 C ATOM 881 CE LYS A 63 -8.845 -1.158 -10.841 1.00 0.00 C ATOM 882 NZ LYS A 63 -8.018 -1.092 -12.059 1.00 0.00 N ATOM 0 H LYS A 63 -7.108 -1.063 -6.794 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.790 -2.775 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.760 -2.555 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.878 -2.990 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.436 -0.259 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.150 -0.749 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.872 -0.446 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.151 0.674 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.980 -2.200 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.836 -0.756 -11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.518 -1.558 -12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.840 -0.097 -12.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.112 -1.575 -11.890 1.00 0.00 H new ATOM 896 N ALA A 64 -6.839 -4.336 -6.134 1.00 0.00 N ATOM 897 CA ALA A 64 -6.421 -5.609 -5.561 1.00 0.00 C ATOM 898 C ALA A 64 -7.536 -6.274 -4.745 1.00 0.00 C ATOM 899 O ALA A 64 -8.259 -5.604 -4.011 1.00 0.00 O ATOM 900 CB ALA A 64 -5.202 -5.340 -4.673 1.00 0.00 C ATOM 0 H ALA A 64 -6.564 -3.537 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.176 -6.300 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.863 -6.275 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.400 -4.913 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.474 -4.640 -3.883 1.00 0.00 H new ATOM 906 N SER A 65 -7.653 -7.603 -4.857 1.00 0.00 N ATOM 907 CA SER A 65 -8.618 -8.400 -4.094 1.00 0.00 C ATOM 908 C SER A 65 -8.013 -8.803 -2.744 1.00 0.00 C ATOM 909 O SER A 65 -6.847 -8.533 -2.480 1.00 0.00 O ATOM 910 CB SER A 65 -9.068 -9.628 -4.895 1.00 0.00 C ATOM 911 OG SER A 65 -10.108 -10.293 -4.198 1.00 0.00 O ATOM 0 H SER A 65 -7.074 -8.159 -5.486 1.00 0.00 H new ATOM 0 HA SER A 65 -9.504 -7.794 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.414 -9.324 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.227 -10.305 -5.047 1.00 0.00 H new ATOM 0 HG SER A 65 -9.755 -11.108 -3.784 1.00 0.00 H new ATOM 917 N ASP A 66 -8.776 -9.492 -1.896 1.00 0.00 N ATOM 918 CA ASP A 66 -8.336 -9.856 -0.549 1.00 0.00 C ATOM 919 C ASP A 66 -7.021 -10.639 -0.545 1.00 0.00 C ATOM 920 O ASP A 66 -6.101 -10.308 0.199 1.00 0.00 O ATOM 921 CB ASP A 66 -9.453 -10.599 0.194 1.00 0.00 C ATOM 922 CG ASP A 66 -9.104 -10.865 1.658 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.409 -10.017 2.263 1.00 0.00 O ATOM 924 OD2 ASP A 66 -9.546 -11.921 2.159 1.00 0.00 O ATOM 0 H ASP A 66 -9.717 -9.814 -2.123 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.126 -8.931 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.371 -10.014 0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.651 -11.546 -0.307 1.00 0.00 H new ATOM 929 N GLU A 67 -6.918 -11.671 -1.381 1.00 0.00 N ATOM 930 CA GLU A 67 -5.752 -12.506 -1.503 1.00 0.00 C ATOM 931 C GLU A 67 -4.521 -11.650 -1.802 1.00 0.00 C ATOM 932 O GLU A 67 -3.491 -11.730 -1.131 1.00 0.00 O ATOM 933 CB GLU A 67 -6.049 -13.495 -2.634 1.00 0.00 C ATOM 934 CG GLU A 67 -7.107 -14.560 -2.286 1.00 0.00 C ATOM 935 CD GLU A 67 -8.545 -14.044 -2.244 1.00 0.00 C ATOM 936 OE1 GLU A 67 -8.808 -13.016 -2.908 1.00 0.00 O ATOM 937 OE2 GLU A 67 -9.355 -14.679 -1.535 1.00 0.00 O ATOM 0 H GLU A 67 -7.675 -11.947 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.536 -13.043 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.386 -12.938 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.123 -13.998 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.046 -15.365 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.862 -14.992 -1.316 1.00 0.00 H new ATOM 944 N GLU A 68 -4.670 -10.801 -2.813 1.00 0.00 N ATOM 945 CA GLU A 68 -3.675 -9.888 -3.270 1.00 0.00 C ATOM 946 C GLU A 68 -3.261 -8.960 -2.131 1.00 0.00 C ATOM 947 O GLU A 68 -2.080 -8.845 -1.832 1.00 0.00 O ATOM 948 CB GLU A 68 -4.308 -9.107 -4.414 1.00 0.00 C ATOM 949 CG GLU A 68 -4.836 -9.910 -5.611 1.00 0.00 C ATOM 950 CD GLU A 68 -3.881 -10.987 -6.120 1.00 0.00 C ATOM 951 OE1 GLU A 68 -3.926 -12.096 -5.546 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.159 -10.695 -7.096 1.00 0.00 O ATOM 0 H GLU A 68 -5.536 -10.742 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.775 -10.401 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.135 -8.525 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.570 -8.396 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.778 -10.381 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.055 -9.221 -6.427 1.00 0.00 H new ATOM 959 N LEU A 69 -4.231 -8.296 -1.498 1.00 0.00 N ATOM 960 CA LEU A 69 -4.039 -7.388 -0.398 1.00 0.00 C ATOM 961 C LEU A 69 -3.215 -8.045 0.714 1.00 0.00 C ATOM 962 O LEU A 69 -2.244 -7.441 1.178 1.00 0.00 O ATOM 963 CB LEU A 69 -5.432 -6.952 0.063 1.00 0.00 C ATOM 964 CG LEU A 69 -6.141 -5.986 -0.905 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.636 -5.889 -0.579 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.575 -4.573 -0.818 1.00 0.00 C ATOM 0 H LEU A 69 -5.212 -8.391 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.466 -6.510 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.053 -7.838 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.347 -6.474 1.039 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.981 -6.390 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.116 -5.201 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.093 -6.875 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.763 -5.522 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.104 -3.925 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.701 -4.192 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.515 -4.590 -1.070 1.00 0.00 H new ATOM 978 N LYS A 70 -3.571 -9.273 1.124 1.00 0.00 N ATOM 979 CA LYS A 70 -2.794 -9.999 2.126 1.00 0.00 C ATOM 980 C LYS A 70 -1.350 -10.088 1.657 1.00 0.00 C ATOM 981 O LYS A 70 -0.432 -9.675 2.359 1.00 0.00 O ATOM 982 CB LYS A 70 -3.306 -11.433 2.329 1.00 0.00 C ATOM 983 CG LYS A 70 -4.689 -11.552 2.968 1.00 0.00 C ATOM 984 CD LYS A 70 -5.111 -13.029 2.933 1.00 0.00 C ATOM 985 CE LYS A 70 -6.632 -13.176 2.920 1.00 0.00 C ATOM 986 NZ LYS A 70 -7.250 -12.697 4.168 1.00 0.00 N ATOM 0 H LYS A 70 -4.387 -9.776 0.776 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.886 -9.458 3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.328 -11.933 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.590 -11.972 2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.665 -11.188 3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.410 -10.938 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.690 -13.508 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.702 -13.546 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.042 -12.619 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.892 -14.223 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.245 -12.998 4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.741 -13.095 4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.201 -11.659 4.203 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.158 -10.623 0.452 1.00 0.00 N ATOM 1001 CA ALA A 71 0.167 -10.817 -0.096 1.00 0.00 C ATOM 1002 C ALA A 71 0.945 -9.513 -0.233 1.00 0.00 C ATOM 1003 O ALA A 71 2.157 -9.508 -0.024 1.00 0.00 O ATOM 1004 CB ALA A 71 0.053 -11.541 -1.435 1.00 0.00 C ATOM 0 H ALA A 71 -1.914 -10.929 -0.160 1.00 0.00 H new ATOM 0 HA ALA A 71 0.737 -11.429 0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.048 -11.690 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.427 -12.508 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.544 -10.942 -2.123 1.00 0.00 H new ATOM 1010 N LEU A 72 0.277 -8.406 -0.571 1.00 0.00 N ATOM 1011 CA LEU A 72 0.938 -7.139 -0.744 1.00 0.00 C ATOM 1012 C LEU A 72 1.505 -6.742 0.616 1.00 0.00 C ATOM 1013 O LEU A 72 2.705 -6.498 0.741 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.093 -6.159 -1.309 1.00 0.00 C ATOM 1015 CG LEU A 72 0.361 -5.456 -2.593 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.811 -4.610 -3.092 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.624 -4.608 -2.411 1.00 0.00 C ATOM 0 H LEU A 72 -0.730 -8.378 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 72 1.771 -7.161 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.020 -6.696 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.317 -5.406 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 72 0.639 -6.212 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.523 -4.093 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.666 -5.255 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.081 -3.877 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.888 -4.140 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.439 -3.836 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.445 -5.244 -2.080 1.00 0.00 H new ATOM 1029 N ALA A 73 0.648 -6.739 1.644 1.00 0.00 N ATOM 1030 CA ALA A 73 1.087 -6.474 3.003 1.00 0.00 C ATOM 1031 C ALA A 73 2.236 -7.399 3.412 1.00 0.00 C ATOM 1032 O ALA A 73 3.268 -6.932 3.894 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.091 -6.653 3.958 1.00 0.00 C ATOM 0 H ALA A 73 -0.352 -6.918 1.552 1.00 0.00 H new ATOM 0 HA ALA A 73 1.453 -5.449 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.235 -6.455 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.886 -5.957 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.464 -7.675 3.888 1.00 0.00 H new ATOM 1039 N ASP A 74 2.055 -8.710 3.221 1.00 0.00 N ATOM 1040 CA ASP A 74 3.047 -9.707 3.600 1.00 0.00 C ATOM 1041 C ASP A 74 4.401 -9.379 2.979 1.00 0.00 C ATOM 1042 O ASP A 74 5.403 -9.357 3.688 1.00 0.00 O ATOM 1043 CB ASP A 74 2.600 -11.121 3.201 1.00 0.00 C ATOM 1044 CG ASP A 74 1.328 -11.587 3.908 1.00 0.00 C ATOM 1045 OD1 ASP A 74 1.141 -11.193 5.080 1.00 0.00 O ATOM 1046 OD2 ASP A 74 0.574 -12.352 3.267 1.00 0.00 O ATOM 0 H ASP A 74 1.214 -9.104 2.799 1.00 0.00 H new ATOM 0 HA ASP A 74 3.146 -9.682 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.437 -11.150 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.405 -11.822 3.421 1.00 0.00 H new ATOM 1051 N TYR A 75 4.432 -9.124 1.669 1.00 0.00 N ATOM 1052 CA TYR A 75 5.650 -8.783 0.950 1.00 0.00 C ATOM 1053 C TYR A 75 6.292 -7.526 1.543 1.00 0.00 C ATOM 1054 O TYR A 75 7.402 -7.558 2.078 1.00 0.00 O ATOM 1055 CB TYR A 75 5.305 -8.585 -0.534 1.00 0.00 C ATOM 1056 CG TYR A 75 6.469 -8.124 -1.388 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.562 -8.981 -1.607 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.502 -6.807 -1.883 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.684 -8.522 -2.318 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.636 -6.343 -2.570 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.727 -7.200 -2.789 1.00 0.00 C ATOM 1062 OH TYR A 75 9.824 -6.757 -3.464 1.00 0.00 O ATOM 0 H TYR A 75 3.602 -9.150 1.077 1.00 0.00 H new ATOM 0 HA TYR A 75 6.375 -9.591 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.925 -9.524 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.499 -7.855 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.539 -9.992 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.655 -6.153 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.515 -9.187 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.669 -5.325 -2.930 1.00 0.00 H new ATOM 0 HH TYR A 75 9.693 -5.821 -3.722 1.00 0.00 H new ATOM 1072 N MET A 76 5.575 -6.406 1.445 1.00 0.00 N ATOM 1073 CA MET A 76 6.037 -5.112 1.922 1.00 0.00 C ATOM 1074 C MET A 76 6.467 -5.117 3.389 1.00 0.00 C ATOM 1075 O MET A 76 7.287 -4.298 3.789 1.00 0.00 O ATOM 1076 CB MET A 76 4.952 -4.080 1.655 1.00 0.00 C ATOM 1077 CG MET A 76 4.709 -3.981 0.146 1.00 0.00 C ATOM 1078 SD MET A 76 3.883 -2.480 -0.398 1.00 0.00 S ATOM 1079 CE MET A 76 2.551 -2.433 0.795 1.00 0.00 C ATOM 0 H MET A 76 4.646 -6.377 1.026 1.00 0.00 H new ATOM 0 HA MET A 76 6.942 -4.853 1.372 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.031 -4.363 2.166 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.251 -3.110 2.051 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.668 -4.055 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.113 -4.839 -0.167 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.705 -1.889 0.375 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.244 -3.450 1.037 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.891 -1.931 1.701 1.00 0.00 H new ATOM 1089 N SER A 77 5.936 -6.033 4.198 1.00 0.00 N ATOM 1090 CA SER A 77 6.350 -6.161 5.588 1.00 0.00 C ATOM 1091 C SER A 77 7.837 -6.512 5.751 1.00 0.00 C ATOM 1092 O SER A 77 8.302 -6.490 6.890 1.00 0.00 O ATOM 1093 CB SER A 77 5.489 -7.195 6.312 1.00 0.00 C ATOM 1094 OG SER A 77 5.723 -7.130 7.711 1.00 0.00 O ATOM 0 H SER A 77 5.217 -6.697 3.911 1.00 0.00 H new ATOM 0 HA SER A 77 6.206 -5.179 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.435 -7.013 6.103 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.719 -8.194 5.943 1.00 0.00 H new ATOM 0 HG SER A 77 6.671 -6.944 7.876 1.00 0.00 H new ATOM 1100 N LYS A 78 8.560 -6.891 4.687 1.00 0.00 N ATOM 1101 CA LYS A 78 9.980 -7.214 4.755 1.00 0.00 C ATOM 1102 C LYS A 78 10.664 -6.484 3.602 1.00 0.00 C ATOM 1103 O LYS A 78 11.291 -7.106 2.746 1.00 0.00 O ATOM 1104 CB LYS A 78 10.193 -8.733 4.659 1.00 0.00 C ATOM 1105 CG LYS A 78 9.493 -9.532 5.768 1.00 0.00 C ATOM 1106 CD LYS A 78 8.163 -10.090 5.253 1.00 0.00 C ATOM 1107 CE LYS A 78 7.324 -10.689 6.384 1.00 0.00 C ATOM 1108 NZ LYS A 78 6.049 -11.214 5.864 1.00 0.00 N ATOM 0 H LYS A 78 8.166 -6.981 3.750 1.00 0.00 H new ATOM 0 HA LYS A 78 10.406 -6.896 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.831 -9.080 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.262 -8.943 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.135 -10.348 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.318 -8.892 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.600 -9.295 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.356 -10.854 4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.881 -11.489 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.129 -9.929 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.336 -11.205 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.724 -10.619 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.186 -12.189 5.529 1.00 0.00 H new ATOM 1122 N LEU A 79 10.514 -5.161 3.571 1.00 0.00 N ATOM 1123 CA LEU A 79 10.949 -4.306 2.507 1.00 0.00 C ATOM 1124 C LEU A 79 11.464 -3.019 3.142 1.00 0.00 C ATOM 1125 O LEU A 79 12.460 -2.464 2.630 1.00 0.00 O ATOM 1126 CB LEU A 79 9.662 -4.074 1.725 1.00 0.00 C ATOM 1127 CG LEU A 79 9.854 -3.345 0.413 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.795 -4.072 -0.556 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.481 -3.162 -0.234 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.836 -2.615 4.146 1.00 0.00 O ATOM 0 H LEU A 79 10.063 -4.648 4.329 1.00 0.00 H new ATOM 0 HA LEU A 79 11.744 -4.698 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.192 -5.037 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.971 -3.504 2.346 1.00 0.00 H new ATOM 0 HG LEU A 79 10.326 -2.386 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.887 -3.494 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.777 -4.182 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.390 -5.058 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.593 -2.638 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.029 -4.138 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.841 -2.579 0.429 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.536 3.894 -1.165 1.00 6.41 FE HETATM 1144 CHA HEC A 80 0.816 4.539 2.190 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.115 0.562 -0.450 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.518 3.257 -4.483 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.557 7.239 -1.728 1.00 10.53 C HETATM 1148 NA HEC A 80 0.592 2.772 0.503 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.784 3.213 1.795 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.791 2.104 2.709 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.359 1.030 2.013 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.340 1.418 0.620 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.009 -0.319 2.555 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.126 2.174 4.169 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.089 2.289 5.091 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.284 1.914 6.518 1.00 22.27 C HETATM 1157 O1A HEC A 80 0.585 2.813 7.297 1.00 18.65 O HETATM 1158 O2A HEC A 80 0.296 0.722 6.816 1.00 17.21 O HETATM 1159 NB HEC A 80 0.391 2.239 -2.253 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.193 0.949 -1.790 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.055 0.048 -2.898 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.179 0.778 -4.041 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.368 2.160 -3.633 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.161 -1.425 -2.731 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.154 0.271 -5.466 1.00 6.35 C HETATM 1166 CBB HEC A 80 -1.165 -0.386 -5.885 1.00 6.48 C HETATM 1167 NC HEC A 80 0.591 5.000 -2.750 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.575 4.590 -4.066 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.783 5.735 -4.931 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.253 6.724 -4.109 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.792 6.361 -2.789 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.636 5.684 -6.431 1.00 8.62 C HETATM 1173 CAC HEC A 80 2.110 7.943 -4.401 1.00 3.39 C HETATM 1174 CBC HEC A 80 3.120 8.215 -3.284 1.00 10.94 C HETATM 1175 ND HEC A 80 0.400 5.536 0.005 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.314 6.841 -0.416 1.00 5.02 C HETATM 1177 C2D HEC A 80 -0.055 7.687 0.709 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.046 6.923 1.833 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.456 5.606 1.383 1.00 9.05 C HETATM 1180 CMD HEC A 80 -0.509 9.122 0.628 1.00 5.28 C HETATM 1181 CAD HEC A 80 -0.303 7.351 3.249 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.496 6.795 4.442 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.272 7.679 5.660 1.00 6.46 C HETATM 1184 O1D HEC A 80 0.789 8.793 5.658 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.422 7.255 6.579 1.00 15.15 O HETATM 0 HMD3 HEC A 80 0.274 9.726 0.170 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -1.414 9.184 0.024 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 -0.716 9.495 1.631 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.339 4.959 -6.841 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.381 5.388 -6.687 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.844 6.668 -6.851 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.678 -1.856 -2.184 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.083 -1.597 -2.176 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.235 -1.895 -3.712 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.853 -0.757 3.058 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.829 -0.214 3.265 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.319 -0.968 1.736 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.183 5.774 4.658 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.557 6.758 4.197 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 2.589 8.389 -2.348 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 3.780 7.355 -3.173 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 3.711 9.096 -3.535 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.366 -1.242 -5.241 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.977 0.336 -5.792 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -1.093 -0.719 -6.920 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.476 3.308 5.066 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.886 1.637 4.734 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 -0.227 8.438 3.287 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -1.350 7.099 3.415 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.692 1.283 4.443 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.778 3.031 4.339 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.564 8.308 -1.942 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.597 3.059 -5.552 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.138 -0.475 -0.231 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.147 4.759 3.205 1.00 5.52 H new