USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 878 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 40 SER OG : rot -16:sc= -0.383 USER MOD Set 1.2: A 52 ASN : amide:sc= -0.667 K(o=-1,f=-3.8!) USER MOD Set 2.1: A 19 THR OG1 : rot 140:sc= -0.0571 USER MOD Set 2.2: A 31 ASN : amide:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.212 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -158:sc= -0.344 (180deg=-1.26) USER MOD Single : A -5 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.528 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -12.4! C(o=-12!,f=-21!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-2.9!) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.477 F(o=-1.2,f=-0.48) USER MOD Single : A 42 GLN : amide:sc= -1.05 K(o=-1.1,f=-6!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -20:sc= 0.0754 USER MOD Single : A 48 TYR OH : rot 120:sc= -0.101 USER MOD Single : A 49 THR OG1 : rot 140:sc= -2.22 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.7!) USER MOD Single : A 62 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.1!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 64 MET CE :methyl 169:sc= -1.15 (180deg=-1.58!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 106:sc= -1.84 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 70 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.1!) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= -0.154 (180deg=-1.27!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -147:sc= -0.226 (180deg=-1.64!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 96 THR OG1 : rot 88:sc= 0.553 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -167:sc= 0.719 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -16.994 5.553 6.143 1.00 0.00 N ATOM 2 CA THR A -5 -17.128 4.905 4.808 1.00 0.00 C ATOM 3 C THR A -5 -15.979 5.357 3.904 1.00 0.00 C ATOM 4 O THR A -5 -15.578 4.653 2.997 1.00 0.00 O ATOM 5 CB THR A -5 -18.463 5.309 4.177 1.00 0.00 C ATOM 6 OG1 THR A -5 -18.381 6.654 3.723 1.00 0.00 O ATOM 7 CG2 THR A -5 -19.579 5.185 5.215 1.00 0.00 C ATOM 0 H1 THR A -5 -17.512 4.997 6.853 1.00 0.00 H new ATOM 0 H2 THR A -5 -15.989 5.600 6.407 1.00 0.00 H new ATOM 0 H3 THR A -5 -17.387 6.515 6.103 1.00 0.00 H new ATOM 0 HA THR A -5 -17.094 3.822 4.925 1.00 0.00 H new ATOM 0 HB THR A -5 -18.681 4.653 3.334 1.00 0.00 H new ATOM 0 HG1 THR A -5 -19.234 6.915 3.317 1.00 0.00 H new ATOM 0 HG21 THR A -5 -20.529 5.473 4.764 1.00 0.00 H new ATOM 0 HG22 THR A -5 -19.640 4.154 5.562 1.00 0.00 H new ATOM 0 HG23 THR A -5 -19.365 5.840 6.060 1.00 0.00 H new ATOM 17 N GLU A -4 -15.445 6.524 4.145 1.00 0.00 N ATOM 18 CA GLU A -4 -14.322 7.023 3.303 1.00 0.00 C ATOM 19 C GLU A -4 -13.021 6.977 4.106 1.00 0.00 C ATOM 20 O GLU A -4 -13.025 7.072 5.318 1.00 0.00 O ATOM 21 CB GLU A -4 -14.607 8.466 2.876 1.00 0.00 C ATOM 22 CG GLU A -4 -15.900 8.512 2.061 1.00 0.00 C ATOM 23 CD GLU A -4 -16.142 9.940 1.568 1.00 0.00 C ATOM 24 OE1 GLU A -4 -15.426 10.825 2.005 1.00 0.00 O ATOM 25 OE2 GLU A -4 -17.040 10.123 0.763 1.00 0.00 O ATOM 0 H GLU A -4 -15.740 7.154 4.891 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.225 6.394 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -14.696 9.105 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -13.777 8.852 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -15.833 7.830 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -16.739 8.180 2.672 1.00 0.00 H new ATOM 32 N PHE A -3 -11.908 6.832 3.441 1.00 0.00 N ATOM 33 CA PHE A -3 -10.608 6.779 4.167 1.00 0.00 C ATOM 34 C PHE A -3 -10.240 8.178 4.667 1.00 0.00 C ATOM 35 O PHE A -3 -9.268 8.358 5.373 1.00 0.00 O ATOM 36 CB PHE A -3 -9.514 6.263 3.227 1.00 0.00 C ATOM 37 CG PHE A -3 -9.319 7.235 2.090 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.093 7.121 0.928 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.360 8.250 2.194 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.909 8.021 -0.128 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.176 9.150 1.138 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.950 9.037 -0.023 1.00 0.00 C ATOM 0 H PHE A -3 -11.843 6.748 2.427 1.00 0.00 H new ATOM 0 HA PHE A -3 -10.698 6.105 5.019 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -8.580 6.138 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -9.789 5.283 2.837 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -10.832 6.338 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -7.762 8.338 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.506 7.932 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.436 9.933 1.219 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.808 9.732 -0.837 1.00 0.00 H new ATOM 52 N LYS A -2 -11.008 9.171 4.303 1.00 0.00 N ATOM 53 CA LYS A -2 -10.704 10.560 4.756 1.00 0.00 C ATOM 54 C LYS A -2 -9.290 10.940 4.313 1.00 0.00 C ATOM 55 O LYS A -2 -8.312 10.387 4.776 1.00 0.00 O ATOM 56 CB LYS A -2 -10.805 10.636 6.284 1.00 0.00 C ATOM 57 CG LYS A -2 -10.641 12.089 6.751 1.00 0.00 C ATOM 58 CD LYS A -2 -11.963 12.845 6.578 1.00 0.00 C ATOM 59 CE LYS A -2 -11.857 14.214 7.251 1.00 0.00 C ATOM 60 NZ LYS A -2 -12.660 15.208 6.486 1.00 0.00 N ATOM 0 H LYS A -2 -11.834 9.080 3.711 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.421 11.253 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -11.769 10.247 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.037 10.011 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -10.333 12.112 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.854 12.578 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.190 12.965 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.781 12.274 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -12.216 14.154 8.279 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -10.815 14.529 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.588 16.139 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.298 15.272 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -13.656 14.908 6.466 1.00 0.00 H new ATOM 74 N ALA A -1 -9.176 11.879 3.415 1.00 0.00 N ATOM 75 CA ALA A -1 -7.829 12.295 2.934 1.00 0.00 C ATOM 76 C ALA A -1 -7.298 13.440 3.800 1.00 0.00 C ATOM 77 O ALA A -1 -7.777 13.682 4.890 1.00 0.00 O ATOM 78 CB ALA A -1 -7.935 12.766 1.483 1.00 0.00 C ATOM 0 H ALA A -1 -9.960 12.377 2.993 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.146 11.448 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -6.951 13.072 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.309 11.952 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.621 13.611 1.424 1.00 0.00 H new ATOM 84 N GLY A 1 -6.312 14.147 3.317 1.00 0.00 N ATOM 85 CA GLY A 1 -5.744 15.279 4.102 1.00 0.00 C ATOM 86 C GLY A 1 -4.884 16.151 3.185 1.00 0.00 C ATOM 87 O GLY A 1 -5.293 17.213 2.758 1.00 0.00 O ATOM 0 H GLY A 1 -5.875 13.988 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.547 15.873 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.144 14.898 4.928 1.00 0.00 H new ATOM 91 N SER A 2 -3.698 15.706 2.870 1.00 0.00 N ATOM 92 CA SER A 2 -2.814 16.499 1.976 1.00 0.00 C ATOM 93 C SER A 2 -1.998 15.544 1.103 1.00 0.00 C ATOM 94 O SER A 2 -1.083 14.893 1.566 1.00 0.00 O ATOM 95 CB SER A 2 -1.871 17.358 2.818 1.00 0.00 C ATOM 96 OG SER A 2 -1.857 16.870 4.153 1.00 0.00 O ATOM 0 H SER A 2 -3.304 14.823 3.196 1.00 0.00 H new ATOM 0 HA SER A 2 -3.419 17.148 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.865 17.332 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.196 18.398 2.802 1.00 0.00 H new ATOM 0 HG SER A 2 -1.252 17.418 4.695 1.00 0.00 H new ATOM 102 N ALA A 3 -2.324 15.456 -0.156 1.00 0.00 N ATOM 103 CA ALA A 3 -1.570 14.542 -1.060 1.00 0.00 C ATOM 104 C ALA A 3 -0.129 15.033 -1.199 1.00 0.00 C ATOM 105 O ALA A 3 0.758 14.289 -1.566 1.00 0.00 O ATOM 106 CB ALA A 3 -2.236 14.523 -2.436 1.00 0.00 C ATOM 0 H ALA A 3 -3.080 15.978 -0.599 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.571 13.536 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.685 13.855 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.263 14.171 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.235 15.529 -2.854 1.00 0.00 H new ATOM 112 N LYS A 4 0.110 16.284 -0.918 1.00 0.00 N ATOM 113 CA LYS A 4 1.492 16.822 -1.045 1.00 0.00 C ATOM 114 C LYS A 4 2.451 15.970 -0.211 1.00 0.00 C ATOM 115 O LYS A 4 3.434 15.458 -0.710 1.00 0.00 O ATOM 116 CB LYS A 4 1.505 18.257 -0.520 1.00 0.00 C ATOM 117 CG LYS A 4 0.522 19.101 -1.334 1.00 0.00 C ATOM 118 CD LYS A 4 0.081 20.311 -0.509 1.00 0.00 C ATOM 119 CE LYS A 4 -1.094 19.915 0.391 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.622 21.126 1.081 1.00 0.00 N ATOM 0 H LYS A 4 -0.591 16.956 -0.606 1.00 0.00 H new ATOM 0 HA LYS A 4 1.806 16.800 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.230 18.273 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.509 18.675 -0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.991 19.431 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.345 18.502 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.911 20.673 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.212 21.127 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.881 19.450 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.771 19.177 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.420 20.857 1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.870 21.551 1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.945 21.816 0.373 1.00 0.00 H new ATOM 134 N LYS A 5 2.172 15.809 1.053 1.00 0.00 N ATOM 135 CA LYS A 5 3.061 14.987 1.915 1.00 0.00 C ATOM 136 C LYS A 5 2.974 13.519 1.495 1.00 0.00 C ATOM 137 O LYS A 5 3.963 12.816 1.434 1.00 0.00 O ATOM 138 CB LYS A 5 2.621 15.131 3.369 1.00 0.00 C ATOM 139 CG LYS A 5 2.815 16.578 3.822 1.00 0.00 C ATOM 140 CD LYS A 5 2.482 16.697 5.312 1.00 0.00 C ATOM 141 CE LYS A 5 2.563 18.163 5.740 1.00 0.00 C ATOM 142 NZ LYS A 5 3.958 18.485 6.151 1.00 0.00 N ATOM 0 H LYS A 5 1.364 16.213 1.526 1.00 0.00 H new ATOM 0 HA LYS A 5 4.091 15.328 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.575 14.844 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.200 14.460 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.843 16.891 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.174 17.241 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.483 16.306 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.177 16.097 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.256 18.810 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.877 18.350 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.013 19.482 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.235 17.876 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.602 18.322 5.351 1.00 0.00 H new ATOM 156 N GLY A 6 1.790 13.051 1.213 1.00 0.00 N ATOM 157 CA GLY A 6 1.619 11.628 0.805 1.00 0.00 C ATOM 158 C GLY A 6 2.357 11.365 -0.507 1.00 0.00 C ATOM 159 O GLY A 6 2.902 10.300 -0.720 1.00 0.00 O ATOM 0 H GLY A 6 0.929 13.596 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.002 10.970 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.560 11.400 0.687 1.00 0.00 H new ATOM 163 N ALA A 7 2.371 12.319 -1.394 1.00 0.00 N ATOM 164 CA ALA A 7 3.066 12.108 -2.693 1.00 0.00 C ATOM 165 C ALA A 7 4.545 11.827 -2.442 1.00 0.00 C ATOM 166 O ALA A 7 5.107 10.891 -2.975 1.00 0.00 O ATOM 167 CB ALA A 7 2.924 13.362 -3.558 1.00 0.00 C ATOM 0 H ALA A 7 1.933 13.233 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 7 2.619 11.258 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.433 13.207 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.868 13.561 -3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.370 14.212 -3.042 1.00 0.00 H new ATOM 173 N THR A 8 5.180 12.623 -1.632 1.00 0.00 N ATOM 174 CA THR A 8 6.620 12.395 -1.350 1.00 0.00 C ATOM 175 C THR A 8 6.774 11.245 -0.353 1.00 0.00 C ATOM 176 O THR A 8 7.769 10.548 -0.348 1.00 0.00 O ATOM 177 CB THR A 8 7.226 13.667 -0.762 1.00 0.00 C ATOM 178 OG1 THR A 8 6.685 13.895 0.532 1.00 0.00 O ATOM 179 CG2 THR A 8 6.903 14.855 -1.669 1.00 0.00 C ATOM 0 H THR A 8 4.764 13.422 -1.153 1.00 0.00 H new ATOM 0 HA THR A 8 7.136 12.138 -2.275 1.00 0.00 H new ATOM 0 HB THR A 8 8.308 13.553 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.760 13.574 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.336 15.762 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.320 14.680 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.822 14.971 -1.746 1.00 0.00 H new ATOM 187 N LEU A 9 5.800 11.040 0.493 1.00 0.00 N ATOM 188 CA LEU A 9 5.905 9.933 1.483 1.00 0.00 C ATOM 189 C LEU A 9 6.124 8.622 0.729 1.00 0.00 C ATOM 190 O LEU A 9 6.962 7.816 1.084 1.00 0.00 O ATOM 191 CB LEU A 9 4.605 9.851 2.289 1.00 0.00 C ATOM 192 CG LEU A 9 4.787 8.888 3.465 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.587 9.574 4.577 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.414 8.482 4.007 1.00 0.00 C ATOM 0 H LEU A 9 4.941 11.589 0.540 1.00 0.00 H new ATOM 0 HA LEU A 9 6.738 10.113 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.330 10.840 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.790 9.510 1.650 1.00 0.00 H new ATOM 0 HG LEU A 9 5.325 8.003 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.714 8.885 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.565 9.865 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.052 10.461 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.542 7.796 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.879 9.370 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.843 7.990 3.219 1.00 0.00 H new ATOM 206 N PHE A 10 5.386 8.418 -0.324 1.00 0.00 N ATOM 207 CA PHE A 10 5.550 7.175 -1.126 1.00 0.00 C ATOM 208 C PHE A 10 6.925 7.169 -1.788 1.00 0.00 C ATOM 209 O PHE A 10 7.622 6.173 -1.795 1.00 0.00 O ATOM 210 CB PHE A 10 4.473 7.131 -2.212 1.00 0.00 C ATOM 211 CG PHE A 10 4.733 5.967 -3.141 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.712 6.079 -4.137 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.999 4.781 -3.013 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.957 5.006 -5.003 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.244 3.709 -3.881 1.00 0.00 C ATOM 216 CZ PHE A 10 5.224 3.823 -4.876 1.00 0.00 C ATOM 0 H PHE A 10 4.672 9.062 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 10 5.456 6.308 -0.472 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.488 7.032 -1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.472 8.065 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.278 6.993 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.244 4.693 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.713 5.093 -5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.678 2.795 -3.783 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.413 2.996 -5.545 1.00 0.00 H new ATOM 226 N LYS A 11 7.310 8.271 -2.367 1.00 0.00 N ATOM 227 CA LYS A 11 8.623 8.333 -3.059 1.00 0.00 C ATOM 228 C LYS A 11 9.773 8.100 -2.076 1.00 0.00 C ATOM 229 O LYS A 11 10.778 7.508 -2.418 1.00 0.00 O ATOM 230 CB LYS A 11 8.789 9.712 -3.698 1.00 0.00 C ATOM 231 CG LYS A 11 7.708 9.926 -4.757 1.00 0.00 C ATOM 232 CD LYS A 11 7.965 11.242 -5.492 1.00 0.00 C ATOM 233 CE LYS A 11 6.816 11.520 -6.462 1.00 0.00 C ATOM 234 NZ LYS A 11 6.783 12.974 -6.788 1.00 0.00 N ATOM 0 H LYS A 11 6.768 9.135 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 11 8.649 7.553 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.721 10.487 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.777 9.796 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.708 9.097 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.724 9.945 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.055 12.059 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.908 11.189 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.945 10.935 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.869 11.214 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.002 13.164 -7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.641 13.522 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.683 13.252 -7.228 1.00 0.00 H new ATOM 248 N THR A 12 9.654 8.582 -0.874 1.00 0.00 N ATOM 249 CA THR A 12 10.760 8.412 0.104 1.00 0.00 C ATOM 250 C THR A 12 10.506 7.209 1.016 1.00 0.00 C ATOM 251 O THR A 12 11.222 7.001 1.974 1.00 0.00 O ATOM 252 CB THR A 12 10.861 9.677 0.955 1.00 0.00 C ATOM 253 OG1 THR A 12 9.652 9.854 1.681 1.00 0.00 O ATOM 254 CG2 THR A 12 11.099 10.887 0.052 1.00 0.00 C ATOM 0 H THR A 12 8.839 9.087 -0.526 1.00 0.00 H new ATOM 0 HA THR A 12 11.689 8.240 -0.440 1.00 0.00 H new ATOM 0 HB THR A 12 11.694 9.580 1.652 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.960 10.207 1.083 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.171 11.788 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.027 10.750 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.269 10.988 -0.648 1.00 0.00 H new ATOM 262 N ARG A 13 9.496 6.422 0.747 1.00 0.00 N ATOM 263 CA ARG A 13 9.227 5.252 1.635 1.00 0.00 C ATOM 264 C ARG A 13 8.928 3.992 0.816 1.00 0.00 C ATOM 265 O ARG A 13 9.692 3.046 0.820 1.00 0.00 O ATOM 266 CB ARG A 13 8.019 5.557 2.521 1.00 0.00 C ATOM 267 CG ARG A 13 8.261 6.836 3.332 1.00 0.00 C ATOM 268 CD ARG A 13 9.291 6.572 4.435 1.00 0.00 C ATOM 269 NE ARG A 13 9.296 7.717 5.390 1.00 0.00 N ATOM 270 CZ ARG A 13 10.009 8.778 5.131 1.00 0.00 C ATOM 271 NH1 ARG A 13 10.717 8.839 4.037 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.014 9.779 5.968 1.00 0.00 N ATOM 0 H ARG A 13 8.854 6.536 -0.038 1.00 0.00 H new ATOM 0 HA ARG A 13 10.115 5.075 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.128 5.673 1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.834 4.721 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.615 7.631 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.325 7.180 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.050 5.647 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.282 6.443 4.000 1.00 0.00 H new ATOM 0 HE ARG A 13 8.742 7.671 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.713 8.056 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.274 9.669 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.461 9.731 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.571 10.609 5.767 1.00 0.00 H new ATOM 286 N CYS A 14 7.813 3.954 0.141 1.00 0.00 N ATOM 287 CA CYS A 14 7.462 2.734 -0.641 1.00 0.00 C ATOM 288 C CYS A 14 8.419 2.563 -1.824 1.00 0.00 C ATOM 289 O CYS A 14 8.691 1.461 -2.257 1.00 0.00 O ATOM 290 CB CYS A 14 6.024 2.842 -1.153 1.00 0.00 C ATOM 291 SG CYS A 14 4.984 3.788 0.005 1.00 0.00 S ATOM 0 H CYS A 14 7.131 4.712 0.096 1.00 0.00 H new ATOM 0 HA CYS A 14 7.551 1.865 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.018 3.325 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.607 1.844 -1.289 1.00 0.00 H new ATOM 296 N LEU A 15 8.929 3.638 -2.356 1.00 0.00 N ATOM 297 CA LEU A 15 9.862 3.523 -3.516 1.00 0.00 C ATOM 298 C LEU A 15 11.045 2.622 -3.152 1.00 0.00 C ATOM 299 O LEU A 15 11.562 1.899 -3.980 1.00 0.00 O ATOM 300 CB LEU A 15 10.378 4.911 -3.893 1.00 0.00 C ATOM 301 CG LEU A 15 11.273 4.813 -5.133 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.433 4.405 -6.346 1.00 0.00 C ATOM 303 CD2 LEU A 15 11.918 6.175 -5.400 1.00 0.00 C ATOM 0 H LEU A 15 8.742 4.590 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 15 9.328 3.087 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.540 5.579 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.938 5.339 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 15 12.047 4.065 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.073 4.337 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.969 3.437 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.657 5.151 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.556 6.109 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.140 6.919 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.519 6.468 -4.539 1.00 0.00 H new ATOM 315 N GLN A 16 11.489 2.670 -1.927 1.00 0.00 N ATOM 316 CA GLN A 16 12.653 1.829 -1.524 1.00 0.00 C ATOM 317 C GLN A 16 12.364 0.349 -1.794 1.00 0.00 C ATOM 318 O GLN A 16 13.238 -0.391 -2.201 1.00 0.00 O ATOM 319 CB GLN A 16 12.927 2.027 -0.032 1.00 0.00 C ATOM 320 CG GLN A 16 13.355 3.474 0.222 1.00 0.00 C ATOM 321 CD GLN A 16 13.582 3.684 1.720 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.149 2.888 2.530 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.250 4.730 2.126 1.00 0.00 N ATOM 0 H GLN A 16 11.098 3.254 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 16 13.524 2.130 -2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.033 1.794 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.708 1.342 0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.268 3.696 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.589 4.160 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.614 5.398 1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.408 4.879 3.123 1.00 0.00 H new ATOM 332 N CYS A 17 11.153 -0.094 -1.566 1.00 0.00 N ATOM 333 CA CYS A 17 10.829 -1.533 -1.806 1.00 0.00 C ATOM 334 C CYS A 17 9.884 -1.678 -2.997 1.00 0.00 C ATOM 335 O CYS A 17 10.069 -2.525 -3.849 1.00 0.00 O ATOM 336 CB CYS A 17 10.160 -2.121 -0.563 1.00 0.00 C ATOM 337 SG CYS A 17 11.311 -2.070 0.839 1.00 0.00 S ATOM 0 H CYS A 17 10.378 0.476 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 17 11.755 -2.066 -2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.257 -1.559 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.853 -3.149 -0.756 1.00 0.00 H new ATOM 342 N HIS A 18 8.865 -0.873 -3.060 1.00 0.00 N ATOM 343 CA HIS A 18 7.905 -0.986 -4.193 1.00 0.00 C ATOM 344 C HIS A 18 8.279 -0.011 -5.301 1.00 0.00 C ATOM 345 O HIS A 18 8.892 1.009 -5.070 1.00 0.00 O ATOM 346 CB HIS A 18 6.496 -0.628 -3.727 1.00 0.00 C ATOM 347 CG HIS A 18 6.038 -1.567 -2.653 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.704 -2.891 -2.911 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.798 -1.366 -1.322 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.268 -3.426 -1.752 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.308 -2.532 -0.762 1.00 0.00 N ATOM 0 H HIS A 18 8.654 -0.143 -2.380 1.00 0.00 H new ATOM 0 HA HIS A 18 7.940 -2.012 -4.558 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.481 0.396 -3.353 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.807 -0.669 -4.571 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.775 -3.369 -3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.965 -0.441 -0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.930 -4.446 -1.640 1.00 0.00 H new ATOM 359 N THR A 19 7.874 -0.311 -6.499 1.00 0.00 N ATOM 360 CA THR A 19 8.152 0.601 -7.638 1.00 0.00 C ATOM 361 C THR A 19 6.812 1.049 -8.214 1.00 0.00 C ATOM 362 O THR A 19 5.872 0.284 -8.285 1.00 0.00 O ATOM 363 CB THR A 19 8.935 -0.129 -8.719 1.00 0.00 C ATOM 364 OG1 THR A 19 9.988 -0.874 -8.125 1.00 0.00 O ATOM 365 CG2 THR A 19 9.519 0.889 -9.700 1.00 0.00 C ATOM 0 H THR A 19 7.357 -1.157 -6.740 1.00 0.00 H new ATOM 0 HA THR A 19 8.739 1.453 -7.296 1.00 0.00 H new ATOM 0 HB THR A 19 8.269 -0.808 -9.252 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.067 -1.742 -8.572 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.080 0.367 -10.475 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.710 1.458 -10.159 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.183 1.569 -9.166 1.00 0.00 H new ATOM 373 N VAL A 20 6.706 2.278 -8.616 1.00 0.00 N ATOM 374 CA VAL A 20 5.417 2.763 -9.173 1.00 0.00 C ATOM 375 C VAL A 20 5.054 1.946 -10.413 1.00 0.00 C ATOM 376 O VAL A 20 3.911 1.604 -10.625 1.00 0.00 O ATOM 377 CB VAL A 20 5.564 4.232 -9.551 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.211 4.789 -9.997 1.00 0.00 C ATOM 379 CG2 VAL A 20 6.076 5.006 -8.340 1.00 0.00 C ATOM 0 H VAL A 20 7.455 2.970 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 20 4.628 2.651 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 20 6.272 4.333 -10.374 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.321 5.839 -10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.854 4.228 -10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.493 4.697 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.185 6.059 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.367 4.907 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.043 4.606 -8.035 1.00 0.00 H new ATOM 389 N GLU A 21 6.010 1.624 -11.235 1.00 0.00 N ATOM 390 CA GLU A 21 5.692 0.825 -12.450 1.00 0.00 C ATOM 391 C GLU A 21 4.976 -0.459 -12.029 1.00 0.00 C ATOM 392 O GLU A 21 5.284 -1.046 -11.010 1.00 0.00 O ATOM 393 CB GLU A 21 6.984 0.472 -13.187 1.00 0.00 C ATOM 394 CG GLU A 21 7.662 1.756 -13.667 1.00 0.00 C ATOM 395 CD GLU A 21 8.928 1.404 -14.451 1.00 0.00 C ATOM 396 OE1 GLU A 21 9.303 0.244 -14.444 1.00 0.00 O ATOM 397 OE2 GLU A 21 9.499 2.303 -15.048 1.00 0.00 O ATOM 0 H GLU A 21 6.992 1.877 -11.121 1.00 0.00 H new ATOM 0 HA GLU A 21 5.050 1.405 -13.113 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.653 -0.081 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.766 -0.176 -14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.979 2.327 -14.296 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.913 2.387 -12.815 1.00 0.00 H new ATOM 404 N LYS A 22 4.025 -0.902 -12.802 1.00 0.00 N ATOM 405 CA LYS A 22 3.296 -2.149 -12.438 1.00 0.00 C ATOM 406 C LYS A 22 4.308 -3.280 -12.261 1.00 0.00 C ATOM 407 O LYS A 22 4.138 -4.160 -11.442 1.00 0.00 O ATOM 408 CB LYS A 22 2.314 -2.516 -13.553 1.00 0.00 C ATOM 409 CG LYS A 22 1.244 -1.429 -13.672 1.00 0.00 C ATOM 410 CD LYS A 22 0.193 -1.856 -14.699 1.00 0.00 C ATOM 411 CE LYS A 22 -0.815 -0.723 -14.901 1.00 0.00 C ATOM 412 NZ LYS A 22 -1.903 -0.840 -13.890 1.00 0.00 N ATOM 0 H LYS A 22 3.721 -0.456 -13.668 1.00 0.00 H new ATOM 0 HA LYS A 22 2.744 -1.994 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.845 -2.623 -14.499 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.848 -3.478 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.773 -1.260 -12.703 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.700 -0.486 -13.974 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.674 -2.102 -15.646 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.319 -2.756 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.317 0.242 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.232 -0.768 -15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.588 -0.070 -14.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.384 -1.755 -14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.497 -0.776 -12.934 1.00 0.00 H new ATOM 426 N GLY A 23 5.365 -3.251 -13.021 1.00 0.00 N ATOM 427 CA GLY A 23 6.404 -4.312 -12.902 1.00 0.00 C ATOM 428 C GLY A 23 7.574 -3.781 -12.077 1.00 0.00 C ATOM 429 O GLY A 23 7.753 -4.139 -10.931 1.00 0.00 O ATOM 0 H GLY A 23 5.556 -2.536 -13.723 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.983 -5.199 -12.428 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.748 -4.613 -13.891 1.00 0.00 H new ATOM 433 N GLY A 24 8.368 -2.920 -12.651 1.00 0.00 N ATOM 434 CA GLY A 24 9.527 -2.352 -11.904 1.00 0.00 C ATOM 435 C GLY A 24 10.356 -3.480 -11.294 1.00 0.00 C ATOM 436 O GLY A 24 9.965 -4.630 -11.304 1.00 0.00 O ATOM 0 H GLY A 24 8.264 -2.584 -13.608 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.146 -1.756 -12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.173 -1.684 -11.119 1.00 0.00 H new ATOM 440 N PRO A 25 11.494 -3.144 -10.754 1.00 0.00 N ATOM 441 CA PRO A 25 12.402 -4.129 -10.109 1.00 0.00 C ATOM 442 C PRO A 25 11.895 -4.545 -8.724 1.00 0.00 C ATOM 443 O PRO A 25 11.366 -3.743 -7.981 1.00 0.00 O ATOM 444 CB PRO A 25 13.727 -3.377 -9.995 1.00 0.00 C ATOM 445 CG PRO A 25 13.356 -1.932 -9.931 1.00 0.00 C ATOM 446 CD PRO A 25 12.041 -1.778 -10.701 1.00 0.00 C ATOM 0 HA PRO A 25 12.480 -5.054 -10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.277 -3.682 -9.104 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.370 -3.580 -10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.238 -1.609 -8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.137 -1.313 -10.372 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.360 -1.095 -10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.209 -1.377 -11.700 1.00 0.00 H new ATOM 454 N HIS A 26 12.051 -5.791 -8.372 1.00 0.00 N ATOM 455 CA HIS A 26 11.576 -6.258 -7.039 1.00 0.00 C ATOM 456 C HIS A 26 12.746 -6.239 -6.053 1.00 0.00 C ATOM 457 O HIS A 26 12.927 -7.156 -5.277 1.00 0.00 O ATOM 458 CB HIS A 26 11.045 -7.684 -7.166 1.00 0.00 C ATOM 459 CG HIS A 26 9.938 -7.711 -8.172 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.733 -7.057 -7.968 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.845 -8.306 -9.396 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.969 -7.272 -9.055 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.604 -8.028 -9.955 1.00 0.00 N ATOM 0 H HIS A 26 12.488 -6.508 -8.951 1.00 0.00 H new ATOM 0 HA HIS A 26 10.783 -5.602 -6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.846 -8.357 -7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.683 -8.037 -6.200 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.473 -6.513 -7.145 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.618 -8.902 -9.859 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.970 -6.883 -9.183 1.00 0.00 H new ATOM 472 N LYS A 27 13.550 -5.207 -6.096 1.00 0.00 N ATOM 473 CA LYS A 27 14.727 -5.114 -5.187 1.00 0.00 C ATOM 474 C LYS A 27 14.416 -5.740 -3.827 1.00 0.00 C ATOM 475 O LYS A 27 14.536 -6.934 -3.636 1.00 0.00 O ATOM 476 CB LYS A 27 15.082 -3.642 -4.983 1.00 0.00 C ATOM 477 CG LYS A 27 15.446 -3.017 -6.323 1.00 0.00 C ATOM 478 CD LYS A 27 15.956 -1.592 -6.104 1.00 0.00 C ATOM 479 CE LYS A 27 16.199 -0.922 -7.458 1.00 0.00 C ATOM 480 NZ LYS A 27 17.508 -1.374 -8.008 1.00 0.00 N ATOM 0 H LYS A 27 13.437 -4.417 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 27 15.560 -5.652 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.239 -3.112 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.917 -3.551 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.210 -3.615 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.575 -3.005 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.229 -1.019 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.879 -1.610 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.395 -1.174 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.195 0.162 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.674 -0.919 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.270 -1.112 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.495 -2.407 -8.130 1.00 0.00 H new ATOM 494 N VAL A 28 14.038 -4.935 -2.877 1.00 0.00 N ATOM 495 CA VAL A 28 13.739 -5.470 -1.517 1.00 0.00 C ATOM 496 C VAL A 28 12.488 -6.348 -1.552 1.00 0.00 C ATOM 497 O VAL A 28 12.470 -7.438 -1.017 1.00 0.00 O ATOM 498 CB VAL A 28 13.501 -4.307 -0.560 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.401 -4.833 0.872 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.656 -3.314 -0.670 1.00 0.00 C ATOM 0 H VAL A 28 13.922 -3.927 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 28 14.586 -6.069 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 28 12.569 -3.805 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.231 -4.000 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.572 -5.536 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.329 -5.338 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.487 -2.482 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.590 -3.812 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.716 -2.938 -1.691 1.00 0.00 H new ATOM 510 N GLY A 29 11.435 -5.877 -2.161 1.00 0.00 N ATOM 511 CA GLY A 29 10.184 -6.690 -2.202 1.00 0.00 C ATOM 512 C GLY A 29 9.434 -6.467 -3.512 1.00 0.00 C ATOM 513 O GLY A 29 9.773 -5.606 -4.299 1.00 0.00 O ATOM 0 H GLY A 29 11.385 -4.972 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.428 -7.747 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.544 -6.423 -1.361 1.00 0.00 H new ATOM 517 N PRO A 30 8.409 -7.246 -3.726 1.00 0.00 N ATOM 518 CA PRO A 30 7.568 -7.151 -4.943 1.00 0.00 C ATOM 519 C PRO A 30 7.208 -5.703 -5.259 1.00 0.00 C ATOM 520 O PRO A 30 7.268 -4.840 -4.406 1.00 0.00 O ATOM 521 CB PRO A 30 6.300 -7.942 -4.607 1.00 0.00 C ATOM 522 CG PRO A 30 6.560 -8.686 -3.331 1.00 0.00 C ATOM 523 CD PRO A 30 7.953 -8.303 -2.820 1.00 0.00 C ATOM 0 HA PRO A 30 8.090 -7.539 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.448 -7.271 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.055 -8.635 -5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.803 -8.439 -2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.501 -9.761 -3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.913 -7.950 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.629 -9.158 -2.838 1.00 0.00 H new ATOM 531 N ASN A 31 6.842 -5.427 -6.475 1.00 0.00 N ATOM 532 CA ASN A 31 6.490 -4.031 -6.840 1.00 0.00 C ATOM 533 C ASN A 31 4.970 -3.866 -6.830 1.00 0.00 C ATOM 534 O ASN A 31 4.233 -4.715 -7.292 1.00 0.00 O ATOM 535 CB ASN A 31 7.070 -3.723 -8.213 1.00 0.00 C ATOM 536 CG ASN A 31 8.579 -3.946 -8.148 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.214 -4.210 -9.147 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.181 -3.858 -6.991 1.00 0.00 N ATOM 0 H ASN A 31 6.771 -6.107 -7.232 1.00 0.00 H new ATOM 0 HA ASN A 31 6.908 -3.331 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.622 -4.367 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.849 -2.695 -8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.187 -4.011 -6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.644 -3.636 -6.152 1.00 0.00 H new ATOM 545 N LEU A 32 4.505 -2.792 -6.259 1.00 0.00 N ATOM 546 CA LEU A 32 3.038 -2.558 -6.149 1.00 0.00 C ATOM 547 C LEU A 32 2.492 -1.830 -7.388 1.00 0.00 C ATOM 548 O LEU A 32 2.855 -2.125 -8.508 1.00 0.00 O ATOM 549 CB LEU A 32 2.790 -1.707 -4.901 1.00 0.00 C ATOM 550 CG LEU A 32 1.455 -2.090 -4.268 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.548 -3.512 -3.706 1.00 0.00 C ATOM 552 CD2 LEU A 32 1.141 -1.114 -3.131 1.00 0.00 C ATOM 0 H LEU A 32 5.086 -2.056 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 32 2.524 -3.517 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.598 -1.853 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.787 -0.650 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 32 0.666 -2.047 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.595 -3.787 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.781 -4.207 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.334 -3.554 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.188 -1.382 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.930 -1.164 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.081 -0.101 -3.528 1.00 0.00 H new ATOM 564 N HIS A 33 1.606 -0.889 -7.173 1.00 0.00 N ATOM 565 CA HIS A 33 0.992 -0.118 -8.294 1.00 0.00 C ATOM 566 C HIS A 33 0.058 -1.014 -9.112 1.00 0.00 C ATOM 567 O HIS A 33 0.487 -1.946 -9.763 1.00 0.00 O ATOM 568 CB HIS A 33 2.074 0.451 -9.215 1.00 0.00 C ATOM 569 CG HIS A 33 1.460 1.521 -10.078 1.00 0.00 C ATOM 570 ND1 HIS A 33 0.988 2.715 -9.551 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.232 1.591 -11.430 1.00 0.00 C ATOM 572 CE1 HIS A 33 0.506 3.446 -10.573 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.631 2.806 -11.736 1.00 0.00 N ATOM 0 H HIS A 33 1.277 -0.619 -6.246 1.00 0.00 H new ATOM 0 HA HIS A 33 0.420 0.703 -7.861 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.893 0.864 -8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.496 -0.339 -9.836 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.481 0.821 -12.145 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.072 4.429 -10.465 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.345 3.138 -12.657 1.00 0.00 H new ATOM 582 N GLY A 34 -1.216 -0.718 -9.105 1.00 0.00 N ATOM 583 CA GLY A 34 -2.175 -1.530 -9.906 1.00 0.00 C ATOM 584 C GLY A 34 -2.922 -2.542 -9.029 1.00 0.00 C ATOM 585 O GLY A 34 -3.684 -3.346 -9.528 1.00 0.00 O ATOM 0 H GLY A 34 -1.632 0.051 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.892 -0.871 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.638 -2.057 -10.695 1.00 0.00 H new ATOM 589 N ILE A 35 -2.724 -2.525 -7.737 1.00 0.00 N ATOM 590 CA ILE A 35 -3.447 -3.511 -6.882 1.00 0.00 C ATOM 591 C ILE A 35 -4.747 -2.909 -6.344 1.00 0.00 C ATOM 592 O ILE A 35 -5.544 -3.592 -5.736 1.00 0.00 O ATOM 593 CB ILE A 35 -2.559 -3.954 -5.712 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.396 -2.818 -4.690 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.184 -4.352 -6.244 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.653 -3.353 -3.469 1.00 0.00 C ATOM 0 H ILE A 35 -2.104 -1.883 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.689 -4.379 -7.495 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.032 -4.803 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.845 -1.989 -5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.372 -2.431 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.550 -4.667 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.292 -5.174 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.727 -3.499 -6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.532 -2.554 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.223 -4.169 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.672 -3.719 -3.772 1.00 0.00 H new ATOM 608 N PHE A 36 -4.968 -1.642 -6.546 1.00 0.00 N ATOM 609 CA PHE A 36 -6.216 -1.020 -6.020 1.00 0.00 C ATOM 610 C PHE A 36 -7.441 -1.756 -6.571 1.00 0.00 C ATOM 611 O PHE A 36 -8.541 -1.590 -6.084 1.00 0.00 O ATOM 612 CB PHE A 36 -6.268 0.455 -6.427 1.00 0.00 C ATOM 613 CG PHE A 36 -5.704 1.302 -5.308 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.428 1.029 -4.796 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.457 2.358 -4.781 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.908 1.812 -3.758 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.936 3.141 -3.744 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.662 2.867 -3.232 1.00 0.00 C ATOM 0 H PHE A 36 -4.344 -1.012 -7.049 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.220 -1.093 -4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.696 0.612 -7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.296 0.750 -6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.846 0.215 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.440 2.569 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.925 1.602 -3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.517 3.956 -3.339 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.261 3.470 -2.431 1.00 0.00 H new ATOM 628 N GLY A 37 -7.261 -2.570 -7.579 1.00 0.00 N ATOM 629 CA GLY A 37 -8.419 -3.318 -8.153 1.00 0.00 C ATOM 630 C GLY A 37 -8.074 -4.805 -8.266 1.00 0.00 C ATOM 631 O GLY A 37 -8.516 -5.485 -9.170 1.00 0.00 O ATOM 0 H GLY A 37 -6.363 -2.749 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.297 -3.187 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.670 -2.918 -9.135 1.00 0.00 H new ATOM 635 N ARG A 38 -7.284 -5.314 -7.358 1.00 0.00 N ATOM 636 CA ARG A 38 -6.910 -6.758 -7.421 1.00 0.00 C ATOM 637 C ARG A 38 -6.969 -7.380 -6.030 1.00 0.00 C ATOM 638 O ARG A 38 -7.162 -6.707 -5.036 1.00 0.00 O ATOM 639 CB ARG A 38 -5.482 -6.906 -7.951 1.00 0.00 C ATOM 640 CG ARG A 38 -5.400 -6.425 -9.399 1.00 0.00 C ATOM 641 CD ARG A 38 -5.943 -7.509 -10.336 1.00 0.00 C ATOM 642 NE ARG A 38 -5.645 -7.138 -11.749 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.153 -7.835 -12.727 1.00 0.00 C ATOM 644 NH1 ARG A 38 -6.923 -8.858 -12.470 1.00 0.00 N ATOM 645 NH2 ARG A 38 -5.892 -7.510 -13.964 1.00 0.00 N ATOM 0 H ARG A 38 -6.882 -4.794 -6.578 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.612 -7.263 -8.084 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.795 -6.331 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.170 -7.949 -7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.973 -5.506 -9.520 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.367 -6.192 -9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.490 -8.471 -10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.018 -7.620 -10.197 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.044 -6.339 -11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.127 -9.112 -11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.320 -9.403 -13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.291 -6.711 -14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.289 -8.055 -14.729 1.00 0.00 H new ATOM 659 N HIS A 39 -6.783 -8.668 -5.960 1.00 0.00 N ATOM 660 CA HIS A 39 -6.800 -9.363 -4.648 1.00 0.00 C ATOM 661 C HIS A 39 -5.383 -9.366 -4.078 1.00 0.00 C ATOM 662 O HIS A 39 -4.412 -9.393 -4.808 1.00 0.00 O ATOM 663 CB HIS A 39 -7.280 -10.799 -4.841 1.00 0.00 C ATOM 664 CG HIS A 39 -8.780 -10.827 -4.907 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.731 -11.302 -4.036 1.00 0.00 N flip ATOM 666 CD2 HIS A 39 -9.478 -10.324 -5.993 1.00 0.00 C flip ATOM 667 CE1 HIS A 39 -10.995 -11.097 -4.576 1.00 0.00 C flip ATOM 668 NE2 HIS A 39 -10.789 -10.506 -5.754 1.00 0.00 N flip ATOM 0 H HIS A 39 -6.619 -9.273 -6.765 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.474 -8.851 -3.961 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.858 -11.214 -5.757 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.931 -11.423 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.047 -9.868 -6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.945 -11.361 -4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.533 -10.227 -6.394 1.00 0.00 H new ATOM 677 N SER A 40 -5.251 -9.325 -2.784 1.00 0.00 N ATOM 678 CA SER A 40 -3.891 -9.308 -2.180 1.00 0.00 C ATOM 679 C SER A 40 -3.117 -10.551 -2.603 1.00 0.00 C ATOM 680 O SER A 40 -3.615 -11.657 -2.559 1.00 0.00 O ATOM 681 CB SER A 40 -4.004 -9.284 -0.657 1.00 0.00 C ATOM 682 OG SER A 40 -3.009 -8.420 -0.125 1.00 0.00 O ATOM 0 H SER A 40 -6.024 -9.303 -2.119 1.00 0.00 H new ATOM 0 HA SER A 40 -3.364 -8.418 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.995 -8.942 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.880 -10.290 -0.256 1.00 0.00 H new ATOM 0 HG SER A 40 -2.328 -8.246 -0.808 1.00 0.00 H new ATOM 688 N GLY A 41 -1.891 -10.373 -2.991 1.00 0.00 N ATOM 689 CA GLY A 41 -1.067 -11.537 -3.399 1.00 0.00 C ATOM 690 C GLY A 41 -1.014 -11.653 -4.921 1.00 0.00 C ATOM 691 O GLY A 41 -0.381 -12.541 -5.455 1.00 0.00 O ATOM 0 H GLY A 41 -1.422 -9.469 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.057 -11.431 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.483 -12.450 -2.974 1.00 0.00 H new ATOM 695 N GLN A 42 -1.663 -10.769 -5.631 1.00 0.00 N ATOM 696 CA GLN A 42 -1.622 -10.854 -7.119 1.00 0.00 C ATOM 697 C GLN A 42 -0.647 -9.816 -7.675 1.00 0.00 C ATOM 698 O GLN A 42 -0.824 -8.625 -7.503 1.00 0.00 O ATOM 699 CB GLN A 42 -3.019 -10.608 -7.689 1.00 0.00 C ATOM 700 CG GLN A 42 -3.947 -11.733 -7.230 1.00 0.00 C ATOM 701 CD GLN A 42 -5.355 -11.490 -7.776 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.676 -10.397 -8.198 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.215 -12.471 -7.786 1.00 0.00 N ATOM 0 H GLN A 42 -2.214 -10.000 -5.250 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.285 -11.849 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.400 -9.644 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.981 -10.572 -8.778 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.571 -12.694 -7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.971 -11.777 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.946 -13.389 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.157 -12.320 -8.148 1.00 0.00 H new ATOM 712 N ALA A 43 0.376 -10.263 -8.349 1.00 0.00 N ATOM 713 CA ALA A 43 1.365 -9.315 -8.932 1.00 0.00 C ATOM 714 C ALA A 43 1.897 -9.890 -10.246 1.00 0.00 C ATOM 715 O ALA A 43 1.998 -11.089 -10.414 1.00 0.00 O ATOM 716 CB ALA A 43 2.527 -9.113 -7.957 1.00 0.00 C ATOM 0 H ALA A 43 0.570 -11.249 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 43 0.882 -8.355 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.248 -8.418 -8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.149 -8.707 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.014 -10.070 -7.768 1.00 0.00 H new ATOM 722 N GLU A 44 2.240 -9.045 -11.178 1.00 0.00 N ATOM 723 CA GLU A 44 2.767 -9.542 -12.479 1.00 0.00 C ATOM 724 C GLU A 44 4.292 -9.621 -12.418 1.00 0.00 C ATOM 725 O GLU A 44 4.892 -10.585 -12.847 1.00 0.00 O ATOM 726 CB GLU A 44 2.348 -8.589 -13.596 1.00 0.00 C ATOM 727 CG GLU A 44 0.827 -8.626 -13.750 1.00 0.00 C ATOM 728 CD GLU A 44 0.383 -10.028 -14.174 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.222 -10.775 -14.650 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.789 -10.329 -14.018 1.00 0.00 O ATOM 0 H GLU A 44 2.178 -8.030 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 44 2.362 -10.534 -12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.677 -7.575 -13.367 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.827 -8.876 -14.532 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.350 -8.353 -12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.510 -7.894 -14.492 1.00 0.00 H new ATOM 737 N GLY A 45 4.922 -8.607 -11.892 1.00 0.00 N ATOM 738 CA GLY A 45 6.408 -8.616 -11.809 1.00 0.00 C ATOM 739 C GLY A 45 6.870 -9.771 -10.919 1.00 0.00 C ATOM 740 O GLY A 45 7.672 -10.591 -11.320 1.00 0.00 O ATOM 0 H GLY A 45 4.471 -7.773 -11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.836 -8.719 -12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.765 -7.668 -11.405 1.00 0.00 H new ATOM 744 N TYR A 46 6.375 -9.844 -9.713 1.00 0.00 N ATOM 745 CA TYR A 46 6.798 -10.951 -8.808 1.00 0.00 C ATOM 746 C TYR A 46 5.617 -11.442 -7.979 1.00 0.00 C ATOM 747 O TYR A 46 4.825 -10.666 -7.484 1.00 0.00 O ATOM 748 CB TYR A 46 7.911 -10.461 -7.879 1.00 0.00 C ATOM 749 CG TYR A 46 8.053 -11.404 -6.703 1.00 0.00 C ATOM 750 CD1 TYR A 46 8.147 -12.787 -6.913 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.086 -10.891 -5.401 1.00 0.00 C ATOM 752 CE1 TYR A 46 8.274 -13.653 -5.820 1.00 0.00 C ATOM 753 CE2 TYR A 46 8.213 -11.758 -4.307 1.00 0.00 C ATOM 754 CZ TYR A 46 8.308 -13.138 -4.517 1.00 0.00 C ATOM 755 OH TYR A 46 8.432 -13.993 -3.441 1.00 0.00 O ATOM 0 H TYR A 46 5.700 -9.189 -9.317 1.00 0.00 H new ATOM 0 HA TYR A 46 7.168 -11.777 -9.415 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.853 -10.402 -8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.685 -9.455 -7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.121 -13.184 -7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.014 -9.826 -5.239 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.346 -14.718 -5.981 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.238 -11.361 -3.303 1.00 0.00 H new ATOM 0 HH TYR A 46 8.440 -13.474 -2.610 1.00 0.00 H new ATOM 765 N SER A 47 5.504 -12.730 -7.811 1.00 0.00 N ATOM 766 CA SER A 47 4.385 -13.269 -6.999 1.00 0.00 C ATOM 767 C SER A 47 4.696 -13.032 -5.524 1.00 0.00 C ATOM 768 O SER A 47 5.818 -13.178 -5.083 1.00 0.00 O ATOM 769 CB SER A 47 4.238 -14.769 -7.260 1.00 0.00 C ATOM 770 OG SER A 47 5.267 -15.468 -6.571 1.00 0.00 O ATOM 0 H SER A 47 6.137 -13.428 -8.201 1.00 0.00 H new ATOM 0 HA SER A 47 3.454 -12.770 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.260 -15.114 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.298 -14.972 -8.329 1.00 0.00 H new ATOM 0 HG SER A 47 5.996 -14.849 -6.357 1.00 0.00 H new ATOM 776 N TYR A 48 3.714 -12.660 -4.761 1.00 0.00 N ATOM 777 CA TYR A 48 3.946 -12.402 -3.314 1.00 0.00 C ATOM 778 C TYR A 48 4.374 -13.684 -2.601 1.00 0.00 C ATOM 779 O TYR A 48 4.533 -14.727 -3.205 1.00 0.00 O ATOM 780 CB TYR A 48 2.657 -11.889 -2.689 1.00 0.00 C ATOM 781 CG TYR A 48 2.364 -10.503 -3.210 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.733 -10.334 -4.447 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.718 -9.386 -2.448 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.455 -9.047 -4.922 1.00 0.00 C ATOM 785 CE2 TYR A 48 2.444 -8.099 -2.922 1.00 0.00 C ATOM 786 CZ TYR A 48 1.812 -7.929 -4.159 1.00 0.00 C ATOM 787 OH TYR A 48 1.537 -6.660 -4.624 1.00 0.00 O ATOM 0 H TYR A 48 2.754 -12.522 -5.076 1.00 0.00 H new ATOM 0 HA TYR A 48 4.739 -11.661 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.832 -12.561 -2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.749 -11.869 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.460 -11.197 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.204 -9.517 -1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.966 -8.917 -5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.720 -7.237 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 48 0.948 -6.200 -3.990 1.00 0.00 H new ATOM 797 N THR A 49 4.558 -13.606 -1.311 1.00 0.00 N ATOM 798 CA THR A 49 4.971 -14.804 -0.531 1.00 0.00 C ATOM 799 C THR A 49 3.819 -15.809 -0.499 1.00 0.00 C ATOM 800 O THR A 49 2.661 -15.440 -0.465 1.00 0.00 O ATOM 801 CB THR A 49 5.317 -14.379 0.898 1.00 0.00 C ATOM 802 OG1 THR A 49 6.300 -13.354 0.859 1.00 0.00 O ATOM 803 CG2 THR A 49 5.860 -15.578 1.677 1.00 0.00 C ATOM 0 H THR A 49 4.438 -12.755 -0.761 1.00 0.00 H new ATOM 0 HA THR A 49 5.842 -15.265 -0.997 1.00 0.00 H new ATOM 0 HB THR A 49 4.419 -14.007 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.096 -12.679 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.105 -15.271 2.694 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.106 -16.364 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.757 -15.955 1.186 1.00 0.00 H new ATOM 811 N ASP A 50 4.124 -17.077 -0.517 1.00 0.00 N ATOM 812 CA ASP A 50 3.044 -18.102 -0.495 1.00 0.00 C ATOM 813 C ASP A 50 2.067 -17.797 0.644 1.00 0.00 C ATOM 814 O ASP A 50 0.874 -17.984 0.513 1.00 0.00 O ATOM 815 CB ASP A 50 3.660 -19.487 -0.281 1.00 0.00 C ATOM 816 CG ASP A 50 2.586 -20.558 -0.475 1.00 0.00 C ATOM 817 OD1 ASP A 50 1.478 -20.200 -0.837 1.00 0.00 O ATOM 818 OD2 ASP A 50 2.890 -21.720 -0.258 1.00 0.00 O ATOM 0 H ASP A 50 5.074 -17.447 -0.546 1.00 0.00 H new ATOM 0 HA ASP A 50 2.509 -18.083 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.478 -19.646 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.083 -19.558 0.721 1.00 0.00 H new ATOM 823 N ALA A 51 2.558 -17.330 1.760 1.00 0.00 N ATOM 824 CA ALA A 51 1.644 -17.020 2.894 1.00 0.00 C ATOM 825 C ALA A 51 0.683 -15.904 2.482 1.00 0.00 C ATOM 826 O ALA A 51 -0.519 -16.023 2.621 1.00 0.00 O ATOM 827 CB ALA A 51 2.465 -16.564 4.102 1.00 0.00 C ATOM 0 H ALA A 51 3.547 -17.151 1.934 1.00 0.00 H new ATOM 0 HA ALA A 51 1.076 -17.912 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.796 -16.337 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.152 -17.358 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.033 -15.672 3.840 1.00 0.00 H new ATOM 833 N ASN A 52 1.201 -14.826 1.965 1.00 0.00 N ATOM 834 CA ASN A 52 0.318 -13.707 1.530 1.00 0.00 C ATOM 835 C ASN A 52 -0.635 -14.202 0.445 1.00 0.00 C ATOM 836 O ASN A 52 -1.804 -13.875 0.432 1.00 0.00 O ATOM 837 CB ASN A 52 1.173 -12.566 0.973 1.00 0.00 C ATOM 838 CG ASN A 52 0.263 -11.424 0.516 1.00 0.00 C ATOM 839 OD1 ASN A 52 -0.913 -11.411 0.824 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.757 -10.458 -0.210 1.00 0.00 N ATOM 0 H ASN A 52 2.199 -14.670 1.824 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.257 -13.347 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.866 -12.210 1.736 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.775 -12.923 0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.156 -9.693 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.744 -10.468 -0.469 1.00 0.00 H new ATOM 847 N ILE A 53 -0.142 -14.985 -0.470 1.00 0.00 N ATOM 848 CA ILE A 53 -1.015 -15.500 -1.559 1.00 0.00 C ATOM 849 C ILE A 53 -2.117 -16.380 -0.966 1.00 0.00 C ATOM 850 O ILE A 53 -3.244 -16.363 -1.419 1.00 0.00 O ATOM 851 CB ILE A 53 -0.173 -16.305 -2.540 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.894 -15.390 -3.148 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.066 -16.862 -3.650 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.840 -16.215 -4.023 1.00 0.00 C ATOM 0 H ILE A 53 0.830 -15.292 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.478 -14.664 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 53 0.306 -17.134 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.421 -14.608 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.455 -14.893 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.460 -17.437 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.828 -17.508 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.547 -16.038 -4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.599 -15.562 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.323 -16.980 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.273 -16.691 -4.823 1.00 0.00 H new ATOM 866 N LYS A 54 -1.810 -17.143 0.048 1.00 0.00 N ATOM 867 CA LYS A 54 -2.856 -18.008 0.660 1.00 0.00 C ATOM 868 C LYS A 54 -4.015 -17.128 1.125 1.00 0.00 C ATOM 869 O LYS A 54 -5.170 -17.430 0.901 1.00 0.00 O ATOM 870 CB LYS A 54 -2.268 -18.752 1.858 1.00 0.00 C ATOM 871 CG LYS A 54 -3.325 -19.684 2.448 1.00 0.00 C ATOM 872 CD LYS A 54 -2.757 -20.386 3.682 1.00 0.00 C ATOM 873 CE LYS A 54 -3.755 -21.433 4.179 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.342 -22.782 3.697 1.00 0.00 N ATOM 0 H LYS A 54 -0.886 -17.204 0.476 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.211 -18.733 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.394 -19.325 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.933 -18.041 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.216 -19.116 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.630 -20.421 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.807 -20.861 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.557 -19.658 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.798 -21.422 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.756 -21.197 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.021 -23.494 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.323 -22.788 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.394 -23.006 4.062 1.00 0.00 H new ATOM 888 N LYS A 55 -3.709 -16.029 1.757 1.00 0.00 N ATOM 889 CA LYS A 55 -4.775 -15.108 2.225 1.00 0.00 C ATOM 890 C LYS A 55 -4.901 -13.962 1.220 1.00 0.00 C ATOM 891 O LYS A 55 -3.950 -13.255 0.959 1.00 0.00 O ATOM 892 CB LYS A 55 -4.381 -14.548 3.591 1.00 0.00 C ATOM 893 CG LYS A 55 -4.391 -15.673 4.628 1.00 0.00 C ATOM 894 CD LYS A 55 -4.103 -15.091 6.014 1.00 0.00 C ATOM 895 CE LYS A 55 -4.010 -16.225 7.037 1.00 0.00 C ATOM 896 NZ LYS A 55 -5.333 -16.411 7.696 1.00 0.00 N ATOM 0 H LYS A 55 -2.757 -15.730 1.970 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.726 -15.635 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.390 -14.097 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.075 -13.761 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.358 -16.175 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.642 -16.423 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.171 -14.526 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.892 -14.395 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.704 -17.148 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.250 -15.994 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.269 -17.182 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.607 -15.531 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.047 -16.650 6.979 1.00 0.00 H new ATOM 910 N ASN A 56 -6.055 -13.772 0.641 1.00 0.00 N ATOM 911 CA ASN A 56 -6.191 -12.672 -0.352 1.00 0.00 C ATOM 912 C ASN A 56 -7.607 -12.094 -0.333 1.00 0.00 C ATOM 913 O ASN A 56 -8.577 -12.792 -0.114 1.00 0.00 O ATOM 914 CB ASN A 56 -5.877 -13.218 -1.742 1.00 0.00 C ATOM 915 CG ASN A 56 -7.026 -14.112 -2.215 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.841 -14.544 -1.423 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.126 -14.411 -3.480 1.00 0.00 N ATOM 0 H ASN A 56 -6.897 -14.322 0.810 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.494 -11.874 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.731 -12.396 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.947 -13.786 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.888 -15.007 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.443 -14.049 -4.145 1.00 0.00 H new ATOM 924 N VAL A 57 -7.725 -10.815 -0.568 1.00 0.00 N ATOM 925 CA VAL A 57 -9.063 -10.164 -0.578 1.00 0.00 C ATOM 926 C VAL A 57 -9.086 -9.061 -1.638 1.00 0.00 C ATOM 927 O VAL A 57 -8.118 -8.350 -1.822 1.00 0.00 O ATOM 928 CB VAL A 57 -9.341 -9.554 0.795 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.735 -8.924 0.808 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.266 -10.645 1.866 1.00 0.00 C ATOM 0 H VAL A 57 -6.942 -10.189 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.827 -10.907 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.595 -8.787 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.929 -8.490 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.789 -8.143 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.482 -9.689 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.464 -10.208 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.009 -11.414 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.271 -11.091 1.863 1.00 0.00 H new ATOM 940 N LEU A 58 -10.181 -8.896 -2.331 1.00 0.00 N ATOM 941 CA LEU A 58 -10.240 -7.819 -3.359 1.00 0.00 C ATOM 942 C LEU A 58 -9.788 -6.516 -2.711 1.00 0.00 C ATOM 943 O LEU A 58 -10.004 -6.295 -1.536 1.00 0.00 O ATOM 944 CB LEU A 58 -11.670 -7.663 -3.874 1.00 0.00 C ATOM 945 CG LEU A 58 -11.721 -6.543 -4.918 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.906 -6.949 -6.149 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.175 -6.303 -5.332 1.00 0.00 C ATOM 0 H LEU A 58 -11.029 -9.454 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.593 -8.072 -4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.013 -8.600 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.342 -7.434 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.304 -5.631 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.944 -6.151 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.870 -7.125 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.323 -7.861 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.215 -5.506 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.588 -7.218 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.759 -6.014 -4.458 1.00 0.00 H new ATOM 959 N TRP A 59 -9.147 -5.659 -3.456 1.00 0.00 N ATOM 960 CA TRP A 59 -8.668 -4.386 -2.864 1.00 0.00 C ATOM 961 C TRP A 59 -9.550 -3.211 -3.280 1.00 0.00 C ATOM 962 O TRP A 59 -10.084 -3.163 -4.371 1.00 0.00 O ATOM 963 CB TRP A 59 -7.232 -4.131 -3.310 1.00 0.00 C ATOM 964 CG TRP A 59 -6.304 -4.909 -2.439 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.412 -5.826 -2.879 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.171 -4.867 -0.988 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.729 -6.336 -1.789 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.164 -5.782 -0.605 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.814 -4.129 0.028 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.809 -5.961 0.730 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.460 -4.310 1.372 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.458 -5.226 1.722 1.00 0.00 C ATOM 0 H TRP A 59 -8.936 -5.787 -4.446 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.714 -4.474 -1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.104 -4.425 -4.352 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.002 -3.067 -3.248 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.259 -6.112 -3.909 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.992 -7.038 -1.854 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.585 -3.419 -0.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.035 -6.666 0.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.961 -3.741 2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.189 -5.362 2.759 1.00 0.00 H new ATOM 983 N ASP A 60 -9.688 -2.258 -2.401 1.00 0.00 N ATOM 984 CA ASP A 60 -10.512 -1.056 -2.695 1.00 0.00 C ATOM 985 C ASP A 60 -9.885 0.138 -1.973 1.00 0.00 C ATOM 986 O ASP A 60 -9.055 -0.026 -1.101 1.00 0.00 O ATOM 987 CB ASP A 60 -11.941 -1.273 -2.189 1.00 0.00 C ATOM 988 CG ASP A 60 -12.837 -0.138 -2.688 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.357 0.673 -3.462 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.988 -0.101 -2.287 1.00 0.00 O ATOM 0 H ASP A 60 -9.257 -2.263 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.545 -0.874 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.321 -2.232 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.951 -1.306 -1.100 1.00 0.00 H new ATOM 995 N GLU A 61 -10.257 1.335 -2.325 1.00 0.00 N ATOM 996 CA GLU A 61 -9.656 2.517 -1.647 1.00 0.00 C ATOM 997 C GLU A 61 -9.885 2.413 -0.138 1.00 0.00 C ATOM 998 O GLU A 61 -9.034 2.764 0.655 1.00 0.00 O ATOM 999 CB GLU A 61 -10.313 3.795 -2.174 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.994 3.956 -3.660 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.610 5.257 -4.178 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.348 5.878 -3.430 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.336 5.608 -5.313 1.00 0.00 O ATOM 0 H GLU A 61 -10.946 1.547 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.586 2.546 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.392 3.750 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.950 4.659 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.915 3.967 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.386 3.107 -4.221 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.029 1.938 0.267 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.310 1.815 1.725 1.00 0.00 C ATOM 1012 C ASN A 62 -10.599 0.585 2.302 1.00 0.00 C ATOM 1013 O ASN A 62 -10.029 0.635 3.374 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.819 1.674 1.941 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.523 2.951 1.479 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.896 3.982 1.324 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.807 2.928 1.251 1.00 0.00 N ATOM 0 H ASN A 62 -11.782 1.629 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.943 2.707 2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.198 0.816 1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.031 1.490 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.285 3.774 0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.333 2.064 1.381 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.641 -0.522 1.608 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.982 -1.754 2.127 1.00 0.00 C ATOM 1026 C ASN A 63 -8.473 -1.539 2.260 1.00 0.00 C ATOM 1027 O ASN A 63 -7.865 -1.924 3.241 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.248 -2.906 1.160 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.746 -3.216 1.133 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.475 -2.826 2.023 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.239 -3.907 0.142 1.00 0.00 N ATOM 0 H ASN A 63 -11.103 -0.625 0.705 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.389 -1.988 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.903 -2.642 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.689 -3.789 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.236 -4.120 0.115 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.627 -4.235 -0.605 1.00 0.00 H new ATOM 1038 N MET A 64 -7.861 -0.933 1.284 1.00 0.00 N ATOM 1039 CA MET A 64 -6.395 -0.702 1.360 1.00 0.00 C ATOM 1040 C MET A 64 -6.074 0.216 2.538 1.00 0.00 C ATOM 1041 O MET A 64 -5.046 0.086 3.173 1.00 0.00 O ATOM 1042 CB MET A 64 -5.906 -0.075 0.055 1.00 0.00 C ATOM 1043 CG MET A 64 -5.986 -1.110 -1.066 1.00 0.00 C ATOM 1044 SD MET A 64 -4.994 -0.548 -2.468 1.00 0.00 S ATOM 1045 CE MET A 64 -3.369 -0.772 -1.698 1.00 0.00 C ATOM 0 H MET A 64 -8.313 -0.588 0.437 1.00 0.00 H new ATOM 0 HA MET A 64 -5.887 -1.655 1.509 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.514 0.795 -0.194 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.880 0.275 0.169 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.623 -2.075 -0.712 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.022 -1.252 -1.372 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.591 -0.669 -2.454 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.226 -0.017 -0.925 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.312 -1.765 -1.252 1.00 0.00 H new ATOM 1055 N SER A 65 -6.942 1.141 2.844 1.00 0.00 N ATOM 1056 CA SER A 65 -6.668 2.052 3.989 1.00 0.00 C ATOM 1057 C SER A 65 -6.402 1.210 5.237 1.00 0.00 C ATOM 1058 O SER A 65 -5.523 1.506 6.025 1.00 0.00 O ATOM 1059 CB SER A 65 -7.883 2.951 4.230 1.00 0.00 C ATOM 1060 OG SER A 65 -7.546 3.948 5.185 1.00 0.00 O ATOM 0 H SER A 65 -7.822 1.304 2.355 1.00 0.00 H new ATOM 0 HA SER A 65 -5.800 2.673 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.196 3.417 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.724 2.357 4.588 1.00 0.00 H new ATOM 0 HG SER A 65 -8.321 4.527 5.341 1.00 0.00 H new ATOM 1066 N GLU A 66 -7.144 0.152 5.414 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.924 -0.717 6.600 1.00 0.00 C ATOM 1068 C GLU A 66 -5.531 -1.340 6.509 1.00 0.00 C ATOM 1069 O GLU A 66 -4.838 -1.485 7.496 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.980 -1.824 6.624 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.365 -1.208 6.829 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.412 -2.319 6.912 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -10.062 -3.456 6.643 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.546 -2.014 7.241 1.00 0.00 O ATOM 0 H GLU A 66 -7.892 -0.147 4.788 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.003 -0.125 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.955 -2.385 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.763 -2.530 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.378 -0.613 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.600 -0.534 6.006 1.00 0.00 H new ATOM 1081 N TYR A 67 -5.115 -1.709 5.326 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.764 -2.320 5.172 1.00 0.00 C ATOM 1083 C TYR A 67 -2.689 -1.305 5.557 1.00 0.00 C ATOM 1084 O TYR A 67 -1.726 -1.629 6.222 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.544 -2.736 3.721 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.200 -3.413 3.612 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.054 -2.645 3.377 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -2.096 -4.803 3.754 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.196 -3.263 3.285 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.844 -5.422 3.660 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.302 -4.651 3.425 1.00 0.00 C ATOM 1092 OH TYR A 67 1.535 -5.258 3.333 1.00 0.00 O ATOM 0 H TYR A 67 -5.651 -1.614 4.463 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.700 -3.193 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.335 -3.412 3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.582 -1.864 3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.136 -1.574 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.980 -5.396 3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.080 -2.669 3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.761 -6.493 3.769 1.00 0.00 H new ATOM 0 HH TYR A 67 1.830 -5.536 4.225 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.837 -0.081 5.135 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.816 0.943 5.468 1.00 0.00 C ATOM 1104 C LEU A 68 -1.594 0.969 6.979 1.00 0.00 C ATOM 1105 O LEU A 68 -0.489 1.158 7.447 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.305 2.311 4.993 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.524 2.290 3.476 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.907 3.691 2.999 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.234 1.858 2.772 1.00 0.00 C ATOM 0 H LEU A 68 -3.621 0.252 4.574 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.876 0.701 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.235 2.570 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.575 3.078 5.253 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.322 1.586 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.063 3.678 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.825 4.006 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.106 4.389 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.395 1.845 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.436 2.561 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.952 0.861 3.109 1.00 0.00 H new ATOM 1121 N THR A 69 -2.626 0.770 7.750 1.00 0.00 N ATOM 1122 CA THR A 69 -2.450 0.773 9.223 1.00 0.00 C ATOM 1123 C THR A 69 -1.359 -0.236 9.590 1.00 0.00 C ATOM 1124 O THR A 69 -0.513 0.021 10.424 1.00 0.00 O ATOM 1125 CB THR A 69 -3.767 0.373 9.885 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.814 1.197 9.388 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.651 0.552 11.393 1.00 0.00 C ATOM 0 H THR A 69 -3.578 0.606 7.423 1.00 0.00 H new ATOM 0 HA THR A 69 -2.161 1.766 9.567 1.00 0.00 H new ATOM 0 HB THR A 69 -3.987 -0.670 9.660 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.660 0.941 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.590 0.267 11.867 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.847 -0.078 11.773 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.432 1.596 11.620 1.00 0.00 H new ATOM 1135 N ASN A 70 -1.367 -1.376 8.957 1.00 0.00 N ATOM 1136 CA ASN A 70 -0.327 -2.406 9.243 1.00 0.00 C ATOM 1137 C ASN A 70 -0.037 -3.182 7.959 1.00 0.00 C ATOM 1138 O ASN A 70 -0.937 -3.536 7.223 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.830 -3.371 10.315 1.00 0.00 C ATOM 1140 CG ASN A 70 0.361 -4.085 10.957 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.499 -3.778 10.662 1.00 0.00 O ATOM 1142 ND2 ASN A 70 0.146 -5.032 11.828 1.00 0.00 N ATOM 0 H ASN A 70 -2.053 -1.641 8.250 1.00 0.00 H new ATOM 0 HA ASN A 70 0.580 -1.919 9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.394 -2.828 11.073 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.510 -4.100 9.874 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.933 -5.515 12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.809 -5.290 12.076 1.00 0.00 H new ATOM 1149 N HIS A 71 1.204 -3.447 7.677 1.00 0.00 N ATOM 1150 CA HIS A 71 1.533 -4.192 6.432 1.00 0.00 C ATOM 1151 C HIS A 71 0.787 -5.525 6.409 1.00 0.00 C ATOM 1152 O HIS A 71 0.914 -6.295 5.478 1.00 0.00 O ATOM 1153 CB HIS A 71 3.040 -4.450 6.360 1.00 0.00 C ATOM 1154 CG HIS A 71 3.630 -3.614 5.259 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.974 -2.282 5.451 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.921 -3.893 3.943 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.446 -1.813 4.283 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.432 -2.752 3.339 1.00 0.00 N ATOM 0 H HIS A 71 2.004 -3.182 8.252 1.00 0.00 H new ATOM 0 HA HIS A 71 1.228 -3.593 5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.510 -4.203 7.312 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.232 -5.507 6.174 1.00 0.00 H new ATOM 0 HD1 HIS A 71 3.885 -1.756 6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.775 -4.847 3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.793 -0.802 4.130 1.00 0.00 H new ATOM 1166 N ALA A 72 0.019 -5.818 7.422 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.709 -7.117 7.430 1.00 0.00 C ATOM 1168 C ALA A 72 -1.853 -7.085 8.444 1.00 0.00 C ATOM 1169 O ALA A 72 -2.077 -8.034 9.169 1.00 0.00 O ATOM 1170 CB ALA A 72 0.270 -8.218 7.815 1.00 0.00 C ATOM 0 H ALA A 72 -0.135 -5.222 8.235 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.126 -7.302 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.247 -9.177 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.083 -8.252 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.676 -8.014 8.806 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.581 -6.009 8.502 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.711 -5.929 9.471 1.00 0.00 C ATOM 1178 C LYS A 73 -4.720 -7.045 9.182 1.00 0.00 C ATOM 1179 O LYS A 73 -5.256 -7.656 10.086 1.00 0.00 O ATOM 1180 CB LYS A 73 -4.411 -4.574 9.341 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.455 -4.435 10.451 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.193 -3.105 10.296 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.117 -2.890 11.496 1.00 0.00 C ATOM 1184 NZ LYS A 73 -8.529 -2.818 11.029 1.00 0.00 N ATOM 0 H LYS A 73 -2.445 -5.181 7.922 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.319 -6.042 10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.681 -3.767 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.888 -4.491 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.163 -5.263 10.405 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.972 -4.483 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.477 -2.286 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.772 -3.104 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.000 -3.706 12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.847 -1.971 12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.014 -2.034 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.547 -2.658 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.013 -3.712 11.249 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.991 -7.309 7.929 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.975 -8.377 7.579 1.00 0.00 C ATOM 1200 C TYR A 74 -5.285 -9.512 6.814 1.00 0.00 C ATOM 1201 O TYR A 74 -5.927 -10.440 6.366 1.00 0.00 O ATOM 1202 CB TYR A 74 -7.069 -7.780 6.691 1.00 0.00 C ATOM 1203 CG TYR A 74 -8.250 -7.371 7.536 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -8.176 -6.232 8.347 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -9.425 -8.131 7.502 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -9.277 -5.854 9.125 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -10.525 -7.754 8.280 1.00 0.00 C ATOM 1208 CZ TYR A 74 -10.452 -6.616 9.091 1.00 0.00 C ATOM 1209 OH TYR A 74 -11.538 -6.243 9.859 1.00 0.00 O ATOM 0 H TYR A 74 -4.572 -6.830 7.132 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.404 -8.774 8.499 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.680 -6.916 6.151 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.381 -8.509 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.270 -5.645 8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.482 -9.009 6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.220 -4.976 9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.431 -8.342 8.255 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.271 -6.878 9.718 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.992 -9.446 6.649 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.289 -10.526 5.896 1.00 0.00 C ATOM 1221 C ILE A 75 -1.972 -10.881 6.589 1.00 0.00 C ATOM 1222 O ILE A 75 -0.910 -10.537 6.118 1.00 0.00 O ATOM 1223 CB ILE A 75 -3.001 -10.034 4.477 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -4.244 -9.332 3.924 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.647 -11.223 3.583 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -4.140 -9.232 2.401 1.00 0.00 C ATOM 0 H ILE A 75 -3.395 -8.697 7.000 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.920 -11.414 5.864 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.164 -9.336 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.141 -9.885 4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.336 -8.337 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.442 -10.870 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.764 -11.725 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.482 -11.923 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.025 -8.732 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.252 -8.660 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.069 -10.233 1.975 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.043 -11.569 7.695 1.00 0.00 N ATOM 1239 CA PRO A 76 -0.830 -11.979 8.463 1.00 0.00 C ATOM 1240 C PRO A 76 0.202 -12.689 7.585 1.00 0.00 C ATOM 1241 O PRO A 76 1.390 -12.614 7.824 1.00 0.00 O ATOM 1242 CB PRO A 76 -1.372 -12.931 9.531 1.00 0.00 C ATOM 1243 CG PRO A 76 -2.818 -12.585 9.682 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.282 -12.033 8.333 1.00 0.00 C ATOM 0 HA PRO A 76 -0.307 -11.117 8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.247 -13.971 9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.839 -12.807 10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.399 -13.464 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.959 -11.846 10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.776 -12.800 7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.996 -11.219 8.459 1.00 0.00 H new ATOM 1252 N GLY A 77 -0.238 -13.367 6.564 1.00 0.00 N ATOM 1253 CA GLY A 77 0.725 -14.064 5.668 1.00 0.00 C ATOM 1254 C GLY A 77 1.715 -13.040 5.112 1.00 0.00 C ATOM 1255 O GLY A 77 2.813 -13.372 4.713 1.00 0.00 O ATOM 0 H GLY A 77 -1.221 -13.469 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.256 -14.842 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.194 -14.556 4.853 1.00 0.00 H new ATOM 1259 N THR A 78 1.325 -11.796 5.075 1.00 0.00 N ATOM 1260 CA THR A 78 2.229 -10.741 4.537 1.00 0.00 C ATOM 1261 C THR A 78 3.391 -10.494 5.500 1.00 0.00 C ATOM 1262 O THR A 78 3.241 -10.540 6.705 1.00 0.00 O ATOM 1263 CB THR A 78 1.438 -9.445 4.345 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.714 -9.511 3.124 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.392 -8.248 4.318 1.00 0.00 C ATOM 0 H THR A 78 0.416 -11.463 5.395 1.00 0.00 H new ATOM 0 HA THR A 78 2.631 -11.073 3.580 1.00 0.00 H new ATOM 0 HB THR A 78 0.742 -9.322 5.175 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.206 -8.682 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.820 -7.330 4.181 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.939 -8.198 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.097 -8.363 3.494 1.00 0.00 H new ATOM 1273 N LYS A 79 4.553 -10.226 4.966 1.00 0.00 N ATOM 1274 CA LYS A 79 5.741 -9.968 5.828 1.00 0.00 C ATOM 1275 C LYS A 79 5.660 -8.539 6.372 1.00 0.00 C ATOM 1276 O LYS A 79 5.153 -7.647 5.719 1.00 0.00 O ATOM 1277 CB LYS A 79 7.010 -10.105 4.984 1.00 0.00 C ATOM 1278 CG LYS A 79 7.063 -11.495 4.346 1.00 0.00 C ATOM 1279 CD LYS A 79 8.354 -11.630 3.535 1.00 0.00 C ATOM 1280 CE LYS A 79 8.299 -12.900 2.684 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.459 -13.773 3.017 1.00 0.00 N ATOM 0 H LYS A 79 4.730 -10.175 3.963 1.00 0.00 H new ATOM 0 HA LYS A 79 5.763 -10.681 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.026 -9.339 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.890 -9.947 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.023 -12.264 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.197 -11.645 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.486 -10.757 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.213 -11.667 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.366 -13.432 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.317 -12.642 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.421 -14.636 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.344 -13.264 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.423 -14.030 4.024 1.00 0.00 H new ATOM 1295 N MET A 80 6.158 -8.308 7.556 1.00 0.00 N ATOM 1296 CA MET A 80 6.110 -6.930 8.127 1.00 0.00 C ATOM 1297 C MET A 80 7.491 -6.284 8.000 1.00 0.00 C ATOM 1298 O MET A 80 8.503 -6.915 8.234 1.00 0.00 O ATOM 1299 CB MET A 80 5.716 -7.005 9.604 1.00 0.00 C ATOM 1300 CG MET A 80 4.297 -7.560 9.727 1.00 0.00 C ATOM 1301 SD MET A 80 3.762 -7.474 11.454 1.00 0.00 S ATOM 1302 CE MET A 80 5.071 -8.513 12.149 1.00 0.00 C ATOM 0 H MET A 80 6.595 -9.011 8.152 1.00 0.00 H new ATOM 0 HA MET A 80 5.376 -6.334 7.586 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.415 -7.642 10.146 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.771 -6.015 10.056 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.616 -6.989 9.096 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.267 -8.592 9.377 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.679 -9.071 12.999 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.425 -9.210 11.389 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.898 -7.884 12.478 1.00 0.00 H new ATOM 1312 N ALA A 81 7.548 -5.032 7.628 1.00 0.00 N ATOM 1313 CA ALA A 81 8.876 -4.366 7.488 1.00 0.00 C ATOM 1314 C ALA A 81 8.713 -2.842 7.444 1.00 0.00 C ATOM 1315 O ALA A 81 9.640 -2.128 7.113 1.00 0.00 O ATOM 1316 CB ALA A 81 9.545 -4.840 6.197 1.00 0.00 C ATOM 0 H ALA A 81 6.740 -4.446 7.417 1.00 0.00 H new ATOM 0 HA ALA A 81 9.493 -4.628 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.516 -4.356 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.681 -5.921 6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.916 -4.582 5.345 1.00 0.00 H new ATOM 1322 N PHE A 82 7.555 -2.331 7.778 1.00 0.00 N ATOM 1323 CA PHE A 82 7.362 -0.849 7.753 1.00 0.00 C ATOM 1324 C PHE A 82 7.327 -0.315 9.190 1.00 0.00 C ATOM 1325 O PHE A 82 6.831 -0.962 10.090 1.00 0.00 O ATOM 1326 CB PHE A 82 6.050 -0.498 7.050 1.00 0.00 C ATOM 1327 CG PHE A 82 5.983 0.995 6.888 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.735 1.621 5.888 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.184 1.754 7.742 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.685 3.010 5.745 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.132 3.143 7.599 1.00 0.00 C ATOM 1332 CZ PHE A 82 5.884 3.772 6.602 1.00 0.00 C ATOM 0 H PHE A 82 6.739 -2.872 8.065 1.00 0.00 H new ATOM 0 HA PHE A 82 8.189 -0.394 7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.998 -0.988 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.200 -0.855 7.632 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.353 1.031 5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.605 1.268 8.514 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.264 3.495 4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.511 3.731 8.259 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.846 4.846 6.494 1.00 0.00 H new ATOM 1342 N GLY A 83 7.860 0.858 9.413 1.00 0.00 N ATOM 1343 CA GLY A 83 7.868 1.431 10.793 1.00 0.00 C ATOM 1344 C GLY A 83 6.443 1.498 11.355 1.00 0.00 C ATOM 1345 O GLY A 83 6.208 1.165 12.500 1.00 0.00 O ATOM 0 H GLY A 83 8.291 1.445 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.493 0.819 11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.306 2.429 10.776 1.00 0.00 H new ATOM 1349 N GLY A 84 5.492 1.921 10.563 1.00 0.00 N ATOM 1350 CA GLY A 84 4.082 2.005 11.057 1.00 0.00 C ATOM 1351 C GLY A 84 3.583 3.453 10.983 1.00 0.00 C ATOM 1352 O GLY A 84 4.222 4.365 11.468 1.00 0.00 O ATOM 0 H GLY A 84 5.629 2.212 9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.440 1.360 10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.026 1.645 12.084 1.00 0.00 H new ATOM 1356 N LEU A 85 2.439 3.665 10.386 1.00 0.00 N ATOM 1357 CA LEU A 85 1.885 5.043 10.284 1.00 0.00 C ATOM 1358 C LEU A 85 0.991 5.305 11.498 1.00 0.00 C ATOM 1359 O LEU A 85 -0.220 5.316 11.400 1.00 0.00 O ATOM 1360 CB LEU A 85 1.056 5.156 9.002 1.00 0.00 C ATOM 1361 CG LEU A 85 1.851 4.615 7.805 1.00 0.00 C ATOM 1362 CD1 LEU A 85 0.918 4.469 6.606 1.00 0.00 C ATOM 1363 CD2 LEU A 85 2.976 5.586 7.423 1.00 0.00 C ATOM 0 H LEU A 85 1.863 2.937 9.963 1.00 0.00 H new ATOM 0 HA LEU A 85 2.694 5.773 10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.126 4.598 9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.785 6.197 8.827 1.00 0.00 H new ATOM 0 HG LEU A 85 2.280 3.652 8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.478 4.085 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.114 3.776 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.495 5.441 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.529 5.186 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.548 6.552 7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.652 5.711 8.269 1.00 0.00 H new ATOM 1375 N LYS A 86 1.583 5.512 12.642 1.00 0.00 N ATOM 1376 CA LYS A 86 0.775 5.769 13.867 1.00 0.00 C ATOM 1377 C LYS A 86 -0.102 7.001 13.650 1.00 0.00 C ATOM 1378 O LYS A 86 -1.220 7.070 14.119 1.00 0.00 O ATOM 1379 CB LYS A 86 1.710 6.010 15.054 1.00 0.00 C ATOM 1380 CG LYS A 86 0.885 6.140 16.336 1.00 0.00 C ATOM 1381 CD LYS A 86 1.813 6.442 17.514 1.00 0.00 C ATOM 1382 CE LYS A 86 1.012 6.417 18.816 1.00 0.00 C ATOM 1383 NZ LYS A 86 1.842 6.972 19.922 1.00 0.00 N ATOM 0 H LYS A 86 2.593 5.514 12.781 1.00 0.00 H new ATOM 0 HA LYS A 86 0.143 4.905 14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.417 5.186 15.146 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.295 6.915 14.892 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.148 6.936 16.227 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.334 5.218 16.521 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.616 5.707 17.555 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.280 7.418 17.381 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.099 7.001 18.704 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.711 5.396 19.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.297 6.955 20.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.701 6.397 20.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.108 7.952 19.698 1.00 0.00 H new ATOM 1397 N LYS A 87 0.396 7.975 12.942 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.411 9.201 12.697 1.00 0.00 C ATOM 1399 C LYS A 87 -1.354 8.962 11.518 1.00 0.00 C ATOM 1400 O LYS A 87 -0.942 8.542 10.455 1.00 0.00 O ATOM 1401 CB LYS A 87 0.521 10.371 12.376 1.00 0.00 C ATOM 1402 CG LYS A 87 1.401 10.672 13.591 1.00 0.00 C ATOM 1403 CD LYS A 87 2.253 11.912 13.310 1.00 0.00 C ATOM 1404 CE LYS A 87 3.220 12.141 14.473 1.00 0.00 C ATOM 1405 NZ LYS A 87 3.527 13.594 14.584 1.00 0.00 N ATOM 0 H LYS A 87 1.326 7.975 12.523 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.994 9.436 13.587 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.143 10.128 11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.063 11.252 12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.780 10.837 14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.043 9.818 13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.809 11.782 12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.613 12.784 13.178 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.780 11.779 15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.138 11.575 14.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.184 13.751 15.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.963 13.925 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.648 14.122 14.755 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.618 9.228 11.698 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.591 9.019 10.590 1.00 0.00 C ATOM 1421 C GLU A 88 -3.267 9.970 9.438 1.00 0.00 C ATOM 1422 O GLU A 88 -3.545 9.688 8.290 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.005 9.295 11.097 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.374 8.268 12.170 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.813 8.506 12.630 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.379 9.516 12.247 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.326 7.673 13.360 1.00 0.00 O ATOM 0 H GLU A 88 -3.020 9.582 12.566 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.525 7.989 10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.065 10.303 11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.715 9.245 10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.270 7.258 11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.692 8.350 13.016 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.691 11.102 9.736 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.363 12.078 8.663 1.00 0.00 C ATOM 1436 C LYS A 89 -1.474 11.421 7.607 1.00 0.00 C ATOM 1437 O LYS A 89 -1.675 11.596 6.421 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.624 13.264 9.280 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.563 14.016 10.224 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.860 15.269 10.753 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.754 15.957 11.787 1.00 0.00 C ATOM 1442 NZ LYS A 89 -2.336 17.380 11.934 1.00 0.00 N ATOM 0 H LYS A 89 -2.433 11.392 10.679 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.284 12.416 8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.746 12.916 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.268 13.932 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.477 14.293 9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.854 13.372 11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.905 15.000 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.644 15.952 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.797 15.903 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.681 15.444 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.943 17.849 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.346 17.420 12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.427 17.865 11.019 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.493 10.666 8.017 1.00 0.00 N ATOM 1457 CA ASP A 90 0.395 10.009 7.021 1.00 0.00 C ATOM 1458 C ASP A 90 -0.426 9.025 6.191 1.00 0.00 C ATOM 1459 O ASP A 90 -0.379 9.028 4.976 1.00 0.00 O ATOM 1460 CB ASP A 90 1.500 9.247 7.750 1.00 0.00 C ATOM 1461 CG ASP A 90 2.361 10.230 8.547 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.282 11.415 8.269 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.084 9.780 9.421 1.00 0.00 O ATOM 0 H ASP A 90 -0.269 10.477 8.994 1.00 0.00 H new ATOM 0 HA ASP A 90 0.838 10.764 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.064 8.505 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.117 8.706 7.033 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.177 8.179 6.840 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.002 7.189 6.094 1.00 0.00 C ATOM 1470 C ARG A 91 -2.975 7.904 5.152 1.00 0.00 C ATOM 1471 O ARG A 91 -3.130 7.526 4.007 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.797 6.345 7.089 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.654 5.338 6.326 1.00 0.00 C ATOM 1474 CD ARG A 91 -4.328 4.384 7.314 1.00 0.00 C ATOM 1475 NE ARG A 91 -5.342 5.130 8.111 1.00 0.00 N ATOM 1476 CZ ARG A 91 -6.346 4.493 8.649 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -6.462 3.203 8.488 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -7.233 5.146 9.348 1.00 0.00 N ATOM 0 H ARG A 91 -1.255 8.131 7.856 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.342 6.553 5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.119 5.824 7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.429 6.986 7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.408 5.860 5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.036 4.776 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.804 3.563 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.583 3.942 7.976 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.252 6.138 8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.768 2.693 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.247 2.705 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.142 6.154 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.018 4.648 9.769 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.636 8.925 5.618 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.601 9.647 4.742 1.00 0.00 C ATOM 1494 C ASN A 92 -3.864 10.290 3.568 1.00 0.00 C ATOM 1495 O ASN A 92 -4.317 10.252 2.442 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.307 10.735 5.548 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.237 10.093 6.578 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.381 8.888 6.618 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.891 10.857 7.408 1.00 0.00 N ATOM 0 H ASN A 92 -3.551 9.291 6.566 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.333 8.935 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.572 11.364 6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.878 11.382 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.524 10.442 8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.769 11.869 7.374 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.735 10.884 3.825 1.00 0.00 N ATOM 1507 CA ASP A 93 -1.972 11.535 2.726 1.00 0.00 C ATOM 1508 C ASP A 93 -1.569 10.484 1.690 1.00 0.00 C ATOM 1509 O ASP A 93 -1.609 10.721 0.500 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.719 12.196 3.303 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.128 13.339 4.233 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.284 13.726 4.192 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.277 13.810 4.970 1.00 0.00 O ATOM 0 H ASP A 93 -2.307 10.947 4.749 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.594 12.291 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.127 11.462 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.091 12.576 2.497 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.182 9.323 2.138 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.773 8.250 1.188 1.00 0.00 C ATOM 1520 C LEU A 94 -1.898 7.964 0.203 1.00 0.00 C ATOM 1521 O LEU A 94 -1.762 8.144 -0.990 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.480 6.970 1.963 1.00 0.00 C ATOM 1523 CG LEU A 94 1.017 6.688 1.946 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.336 5.623 2.994 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.425 6.182 0.561 1.00 0.00 C ATOM 0 H LEU A 94 -1.131 9.069 3.125 1.00 0.00 H new ATOM 0 HA LEU A 94 0.114 8.582 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.829 7.068 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.022 6.134 1.521 1.00 0.00 H new ATOM 0 HG LEU A 94 1.567 7.602 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.406 5.416 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.042 5.983 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.788 4.710 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.496 5.980 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.880 5.266 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.190 6.939 -0.187 1.00 0.00 H new ATOM 1537 N ILE A 95 -3.003 7.496 0.699 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.138 7.160 -0.185 1.00 0.00 C ATOM 1539 C ILE A 95 -4.479 8.350 -1.074 1.00 0.00 C ATOM 1540 O ILE A 95 -4.806 8.193 -2.234 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.326 6.779 0.683 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.909 5.612 1.577 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.489 6.358 -0.207 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -6.114 5.124 2.385 1.00 0.00 C ATOM 0 H ILE A 95 -3.167 7.331 1.692 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.876 6.323 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.638 7.626 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.514 4.799 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.110 5.924 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.342 6.084 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.766 7.186 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.192 5.502 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.813 4.292 3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.490 5.938 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.899 4.795 1.704 1.00 0.00 H new ATOM 1556 N THR A 96 -4.391 9.539 -0.557 1.00 0.00 N ATOM 1557 CA THR A 96 -4.694 10.719 -1.395 1.00 0.00 C ATOM 1558 C THR A 96 -3.805 10.664 -2.639 1.00 0.00 C ATOM 1559 O THR A 96 -4.233 10.955 -3.739 1.00 0.00 O ATOM 1560 CB THR A 96 -4.394 11.987 -0.598 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.001 11.894 0.682 1.00 0.00 O ATOM 1562 CG2 THR A 96 -4.954 13.195 -1.339 1.00 0.00 C ATOM 0 H THR A 96 -4.123 9.742 0.406 1.00 0.00 H new ATOM 0 HA THR A 96 -5.744 10.723 -1.689 1.00 0.00 H new ATOM 0 HB THR A 96 -3.316 12.099 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.390 11.445 1.302 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.741 14.101 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.490 13.265 -2.323 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.032 13.084 -1.453 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.570 10.276 -2.467 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.643 10.183 -3.628 1.00 0.00 C ATOM 1572 C TYR A 97 -1.898 8.885 -4.397 1.00 0.00 C ATOM 1573 O TYR A 97 -2.011 8.883 -5.606 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.199 10.206 -3.124 1.00 0.00 C ATOM 1575 CG TYR A 97 0.738 9.934 -4.275 1.00 0.00 C ATOM 1576 CD1 TYR A 97 1.057 10.951 -5.181 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.287 8.658 -4.430 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.927 10.688 -6.247 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.156 8.394 -5.493 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.477 9.409 -6.403 1.00 0.00 C ATOM 1581 OH TYR A 97 3.334 9.150 -7.452 1.00 0.00 O ATOM 0 H TYR A 97 -2.163 10.019 -1.568 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.813 11.029 -4.294 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.027 11.175 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.062 9.457 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.633 11.937 -5.059 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.040 7.875 -3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.174 11.471 -6.949 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.580 7.408 -5.612 1.00 0.00 H new ATOM 0 HH TYR A 97 3.625 8.215 -7.413 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.984 7.779 -3.709 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.227 6.485 -4.412 1.00 0.00 C ATOM 1593 C LEU A 98 -3.520 6.591 -5.217 1.00 0.00 C ATOM 1594 O LEU A 98 -3.594 6.174 -6.356 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.370 5.358 -3.386 1.00 0.00 C ATOM 1596 CG LEU A 98 -1.144 5.324 -2.468 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.391 4.336 -1.326 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.076 4.870 -3.265 1.00 0.00 C ATOM 0 H LEU A 98 -1.897 7.714 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.389 6.269 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.273 5.507 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.478 4.401 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.968 6.320 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.519 4.311 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.264 4.651 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.565 3.341 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.949 4.846 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.103 3.873 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.255 5.566 -4.084 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.540 7.156 -4.633 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.831 7.300 -5.361 1.00 0.00 C ATOM 1612 C LYS A 99 -5.614 8.145 -6.617 1.00 0.00 C ATOM 1613 O LYS A 99 -6.173 7.877 -7.661 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.852 7.983 -4.453 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.199 8.073 -5.173 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.199 8.824 -4.291 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.578 8.809 -4.954 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.515 9.660 -4.168 1.00 0.00 N ATOM 0 H LYS A 99 -4.535 7.525 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.202 6.316 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.961 7.422 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.505 8.980 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.080 8.588 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.572 7.073 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.252 8.359 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.867 9.851 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.506 9.178 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.956 7.788 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.453 9.651 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.592 9.289 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.155 10.635 -4.137 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.805 9.162 -6.521 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.547 10.027 -7.707 1.00 0.00 C ATOM 1634 C LYS A 100 -3.958 9.177 -8.828 1.00 0.00 C ATOM 1635 O LYS A 100 -4.331 9.291 -9.979 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.540 11.110 -7.327 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.458 12.151 -8.445 1.00 0.00 C ATOM 1638 CD LYS A 100 -2.405 13.202 -8.089 1.00 0.00 C ATOM 1639 CE LYS A 100 -2.430 14.325 -9.127 1.00 0.00 C ATOM 1640 NZ LYS A 100 -1.238 15.200 -8.942 1.00 0.00 N ATOM 0 H LYS A 100 -4.310 9.433 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.479 10.485 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.839 11.587 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.559 10.665 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.201 11.668 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.429 12.627 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.601 13.606 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.416 12.745 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.433 13.905 -10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.344 14.910 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.255 15.964 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.254 15.611 -7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.372 14.637 -9.062 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.041 8.320 -8.490 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.416 7.444 -9.521 1.00 0.00 C ATOM 1656 C ALA A 101 -3.456 6.441 -10.005 1.00 0.00 C ATOM 1657 O ALA A 101 -3.688 6.287 -11.187 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.228 6.699 -8.909 1.00 0.00 C ATOM 0 H ALA A 101 -2.694 8.186 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.064 8.047 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.772 6.059 -9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.492 7.419 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.572 6.088 -8.075 1.00 0.00 H new ATOM 1664 N THR A 102 -4.102 5.771 -9.092 1.00 0.00 N ATOM 1665 CA THR A 102 -5.148 4.795 -9.490 1.00 0.00 C ATOM 1666 C THR A 102 -6.258 5.552 -10.212 1.00 0.00 C ATOM 1667 O THR A 102 -6.914 5.032 -11.093 1.00 0.00 O ATOM 1668 CB THR A 102 -5.716 4.110 -8.243 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.653 3.534 -7.496 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.699 3.016 -8.662 1.00 0.00 C ATOM 0 H THR A 102 -3.949 5.859 -8.087 1.00 0.00 H new ATOM 0 HA THR A 102 -4.724 4.034 -10.145 1.00 0.00 H new ATOM 0 HB THR A 102 -6.236 4.845 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.020 2.929 -6.818 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.102 2.530 -7.774 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.514 3.459 -9.235 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.183 2.279 -9.277 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.472 6.786 -9.840 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.539 7.591 -10.497 1.00 0.00 C ATOM 1680 C GLU A 103 -7.002 8.178 -11.805 1.00 0.00 C ATOM 1681 O GLU A 103 -6.929 7.507 -12.815 1.00 0.00 O ATOM 1682 CB GLU A 103 -7.970 8.725 -9.567 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.160 9.465 -10.180 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.530 10.659 -9.299 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.855 10.866 -8.304 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.480 11.346 -9.634 1.00 0.00 O ATOM 0 H GLU A 103 -5.952 7.271 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.396 6.953 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.241 8.325 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.141 9.415 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.911 9.805 -11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.012 8.791 -10.273 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.850 -2.655 1.283 1.00 0.00 FE HETATM 1695 CHA HEC A 104 2.958 -5.414 0.733 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.122 -0.698 0.852 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.726 0.106 1.869 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.592 -4.597 1.650 1.00 0.00 C HETATM 1699 NA HEC A 104 2.959 -2.982 0.882 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.324 -4.193 0.686 1.00 0.00 C HETATM 1701 C2A HEC A 104 0.900 -4.009 0.458 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.689 -2.678 0.448 1.00 0.00 C HETATM 1703 C4A HEC A 104 1.950 -2.053 0.747 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.578 -1.988 0.080 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.173 -5.051 0.490 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.848 -5.236 -0.870 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.588 -6.651 -1.386 1.00 0.00 C HETATM 1708 O1A HEC A 104 0.567 -6.984 -1.589 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.549 -7.378 -1.572 1.00 0.00 O HETATM 1710 NB HEC A 104 4.502 -0.721 1.333 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.308 -0.069 1.120 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.441 1.356 1.274 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.744 1.600 1.523 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.392 0.303 1.602 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.327 2.335 1.397 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.387 2.953 1.571 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.864 3.805 2.730 1.00 0.00 C HETATM 1718 NC HEC A 104 6.734 -2.320 1.688 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.353 -1.108 1.903 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.753 -1.266 2.173 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.025 -2.580 2.045 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.757 -3.238 1.796 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.664 -0.225 2.720 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.385 -3.173 1.943 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.103 -3.271 3.290 1.00 0.00 C HETATM 1726 ND HEC A 104 5.197 -4.582 1.224 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.404 -5.227 1.380 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.266 -6.656 1.260 1.00 0.00 C HETATM 1729 C3D HEC A 104 4.971 -6.901 0.963 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.300 -5.608 0.982 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.294 -7.672 1.612 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.408 -8.226 0.533 1.00 0.00 C HETATM 1733 CBD HEC A 104 4.539 -9.308 1.608 1.00 0.00 C HETATM 1734 CGD HEC A 104 5.293 -10.509 1.033 1.00 0.00 C HETATM 1735 O1D HEC A 104 4.797 -11.096 0.085 1.00 0.00 O HETATM 1736 O2D HEC A 104 6.353 -10.822 1.549 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.189 -7.507 1.012 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.545 -7.584 2.669 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.902 -8.670 1.414 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.685 0.631 2.045 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.306 0.094 3.699 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.669 -0.636 2.817 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.701 2.288 0.506 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.727 2.095 2.275 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.736 3.340 1.501 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.844 -2.238 -0.947 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.375 -2.310 0.750 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.444 -0.910 0.168 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 5.069 -8.913 2.474 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.551 -9.616 1.952 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.210 -2.275 3.718 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.522 -3.897 3.967 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.089 -3.712 3.145 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.789 3.947 2.621 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.070 3.301 3.674 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.361 4.775 2.721 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.920 -5.062 -0.781 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.464 -4.503 -1.580 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.356 -8.102 0.277 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.920 -8.556 -0.371 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.256 -6.000 0.812 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.923 -4.773 1.230 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.478 -5.223 1.758 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.333 0.989 2.070 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.243 -0.069 0.711 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.349 -6.301 0.559 1.00 0.00 H new