USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 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 Set 1.1: A 7 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= -6.73! C(o=-6!,f=-15!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -163:sc= 0.719 (180deg=0) USER MOD Set 3.1: A 11 SER OG : rot 102:sc= -1.13 USER MOD Set 3.2: A 59 GLN : amide:sc= -6.62! C(o=-6.5!,f=-20!) USER MOD Set 3.3: A 84 TYR OH : rot 105:sc= 1.25 USER MOD Set 4.1: A 5 HIS : no HE2:sc= -1.59 K(o=-2,f=-5.7!) USER MOD Set 4.2: A 50 ASN : amide:sc= -0.394 K(o=-2,f=-1.4) USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-0.0156) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0228 (180deg=-0.0971) USER MOD Single : A 3 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0549) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -131:sc= -0.752! USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 118:sc= 0.579 USER MOD Single : A 16 THR OG1 : rot -88:sc= -0.174! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.117 (180deg=-0.583) USER MOD Single : A 23 MET CE :methyl -142:sc= -3.92! (180deg=-10.1!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0675 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 49 GLN : amide:sc= 0.646 K(o=0.65,f=0) USER MOD Single : A 62 TYR OH : rot 102:sc= -2.71! USER MOD Single : A 63 MET CE :methyl 154:sc= -8.63! (180deg=-10.8!) USER MOD Single : A 68 GLN : amide:sc= 0.00359 K(o=0.0036,f=-3.1!) USER MOD Single : A 73 ASN : amide:sc= -1.98! C(o=-2!,f=-1.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= -2.64! (180deg=-2.93!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.196 K(o=-0.2,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.237 19.120 6.101 1.00 0.00 N ATOM 2 CA MET A 1 3.693 18.029 6.963 1.00 0.00 C ATOM 3 C MET A 1 4.048 16.652 6.362 1.00 0.00 C ATOM 4 O MET A 1 3.204 15.839 6.031 1.00 0.00 O ATOM 5 CB MET A 1 2.150 18.183 7.026 1.00 0.00 C ATOM 6 CG MET A 1 1.727 19.523 7.612 1.00 0.00 C ATOM 7 SD MET A 1 -0.035 19.605 8.143 1.00 0.00 S ATOM 8 CE MET A 1 0.107 18.729 9.699 1.00 0.00 C ATOM 0 H1 MET A 1 4.128 20.033 6.587 1.00 0.00 H new ATOM 0 H2 MET A 1 5.245 18.945 5.914 1.00 0.00 H new ATOM 0 H3 MET A 1 3.717 19.143 5.200 1.00 0.00 H new ATOM 0 HA MET A 1 4.124 18.096 7.962 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.736 18.080 6.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.731 17.377 7.628 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.362 19.747 8.469 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.906 20.302 6.871 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.728 18.036 9.804 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.044 18.173 9.719 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.091 19.444 10.522 1.00 0.00 H new ATOM 18 N GLU A 2 5.383 16.466 6.173 1.00 0.00 N ATOM 19 CA GLU A 2 5.978 15.312 5.456 1.00 0.00 C ATOM 20 C GLU A 2 6.226 14.139 6.405 1.00 0.00 C ATOM 21 O GLU A 2 5.530 13.991 7.417 1.00 0.00 O ATOM 22 CB GLU A 2 7.252 15.771 4.730 1.00 0.00 C ATOM 23 CG GLU A 2 8.363 16.174 5.664 1.00 0.00 C ATOM 24 CD GLU A 2 9.270 17.317 5.141 1.00 0.00 C ATOM 25 OE1 GLU A 2 8.751 18.505 5.278 1.00 0.00 O ATOM 26 OE2 GLU A 2 10.382 17.063 4.679 1.00 0.00 O ATOM 0 H GLU A 2 6.082 17.123 6.520 1.00 0.00 H new ATOM 0 HA GLU A 2 5.277 14.944 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.604 14.965 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.008 16.614 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.926 16.482 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.983 15.301 5.866 1.00 0.00 H new ATOM 33 N LYS A 3 7.097 13.189 5.989 1.00 0.00 N ATOM 34 CA LYS A 3 7.081 11.788 6.448 1.00 0.00 C ATOM 35 C LYS A 3 5.707 11.107 6.268 1.00 0.00 C ATOM 36 O LYS A 3 4.758 11.496 6.928 1.00 0.00 O ATOM 37 CB LYS A 3 7.536 11.670 7.910 1.00 0.00 C ATOM 38 CG LYS A 3 8.724 10.690 8.051 1.00 0.00 C ATOM 39 CD LYS A 3 8.476 9.572 9.103 1.00 0.00 C ATOM 40 CE LYS A 3 9.658 8.581 9.035 1.00 0.00 C ATOM 41 NZ LYS A 3 9.642 7.706 10.228 1.00 0.00 N ATOM 0 H LYS A 3 7.839 13.382 5.316 1.00 0.00 H new ATOM 0 HA LYS A 3 7.791 11.262 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.826 12.652 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.704 11.328 8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.924 10.231 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.617 11.250 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.395 10.000 10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.536 9.059 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.589 7.979 8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.600 9.126 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.614 7.422 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.228 8.221 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.073 6.859 10.029 1.00 0.00 H new ATOM 55 N LYS A 4 5.631 10.122 5.341 1.00 0.00 N ATOM 56 CA LYS A 4 4.382 9.650 4.769 1.00 0.00 C ATOM 57 C LYS A 4 4.025 8.208 5.121 1.00 0.00 C ATOM 58 O LYS A 4 4.886 7.405 5.565 1.00 0.00 O ATOM 59 CB LYS A 4 4.413 9.817 3.204 1.00 0.00 C ATOM 60 CG LYS A 4 4.595 11.333 2.876 1.00 0.00 C ATOM 61 CD LYS A 4 4.252 11.717 1.447 1.00 0.00 C ATOM 62 CE LYS A 4 5.537 11.787 0.581 1.00 0.00 C ATOM 63 NZ LYS A 4 5.842 13.184 0.224 1.00 0.00 N ATOM 0 H LYS A 4 6.452 9.639 4.977 1.00 0.00 H new ATOM 0 HA LYS A 4 3.604 10.269 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.230 9.235 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.489 9.441 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.971 11.915 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.630 11.613 3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.560 10.988 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.745 12.682 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.375 11.354 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.406 11.194 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.705 13.214 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.049 13.586 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.988 13.740 1.091 1.00 0.00 H new ATOM 77 N HIS A 5 2.750 7.844 4.987 1.00 0.00 N ATOM 78 CA HIS A 5 2.094 6.596 5.373 1.00 0.00 C ATOM 79 C HIS A 5 1.658 5.745 4.164 1.00 0.00 C ATOM 80 O HIS A 5 0.692 6.005 3.449 1.00 0.00 O ATOM 81 CB HIS A 5 0.792 7.005 6.199 1.00 0.00 C ATOM 82 CG HIS A 5 1.243 7.705 7.523 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.574 8.578 8.256 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.484 7.562 8.053 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.388 9.011 9.244 1.00 0.00 C ATOM 86 NE2 HIS A 5 2.518 8.329 9.163 1.00 0.00 N ATOM 0 H HIS A 5 2.081 8.485 4.560 1.00 0.00 H new ATOM 0 HA HIS A 5 2.797 5.992 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.165 7.675 5.611 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.193 6.122 6.422 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -0.390 8.874 8.102 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.287 6.954 7.663 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.157 9.777 9.970 1.00 0.00 H new ATOM 94 N ILE A 6 2.456 4.642 3.988 1.00 0.00 N ATOM 95 CA ILE A 6 2.332 3.647 2.890 1.00 0.00 C ATOM 96 C ILE A 6 1.642 2.393 3.383 1.00 0.00 C ATOM 97 O ILE A 6 2.202 1.327 3.564 1.00 0.00 O ATOM 98 CB ILE A 6 3.712 3.402 2.192 1.00 0.00 C ATOM 99 CG1 ILE A 6 4.124 4.563 1.326 1.00 0.00 C ATOM 100 CG2 ILE A 6 3.720 2.021 1.504 1.00 0.00 C ATOM 101 CD1 ILE A 6 5.327 4.359 0.365 1.00 0.00 C ATOM 0 H ILE A 6 3.220 4.423 4.627 1.00 0.00 H new ATOM 0 HA ILE A 6 1.688 4.047 2.107 1.00 0.00 H new ATOM 0 HB ILE A 6 4.500 3.360 2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.262 4.856 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.357 5.403 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.684 1.860 1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.553 1.243 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.929 1.983 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.507 5.278 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.216 4.106 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.104 3.550 -0.331 1.00 0.00 H new ATOM 113 N TYR A 7 0.281 2.545 3.603 1.00 0.00 N ATOM 114 CA TYR A 7 -0.615 1.462 3.993 1.00 0.00 C ATOM 115 C TYR A 7 -1.002 0.695 2.675 1.00 0.00 C ATOM 116 O TYR A 7 -1.013 1.258 1.589 1.00 0.00 O ATOM 117 CB TYR A 7 -1.859 1.935 4.730 1.00 0.00 C ATOM 118 CG TYR A 7 -1.594 2.668 6.068 1.00 0.00 C ATOM 119 CD1 TYR A 7 -0.624 2.170 6.944 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.358 3.787 6.355 1.00 0.00 C ATOM 121 CE1 TYR A 7 -0.349 2.875 8.131 1.00 0.00 C ATOM 122 CE2 TYR A 7 -2.045 4.532 7.528 1.00 0.00 C ATOM 123 CZ TYR A 7 -1.133 3.998 8.447 1.00 0.00 C ATOM 124 OH TYR A 7 -0.995 4.599 9.657 1.00 0.00 O ATOM 0 H TYR A 7 -0.194 3.442 3.505 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.101 0.815 4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.419 2.601 4.074 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.495 1.072 4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.094 1.258 6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.169 4.086 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.449 2.559 8.786 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.504 5.493 7.706 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.196 5.555 9.572 1.00 0.00 H new ATOM 134 N LEU A 8 -1.204 -0.583 2.885 1.00 0.00 N ATOM 135 CA LEU A 8 -1.358 -1.649 1.800 1.00 0.00 C ATOM 136 C LEU A 8 -2.103 -2.800 2.534 1.00 0.00 C ATOM 137 O LEU A 8 -1.753 -3.157 3.638 1.00 0.00 O ATOM 138 CB LEU A 8 0.167 -2.087 1.674 1.00 0.00 C ATOM 139 CG LEU A 8 0.444 -3.534 1.274 1.00 0.00 C ATOM 140 CD1 LEU A 8 1.866 -3.789 0.718 1.00 0.00 C ATOM 141 CD2 LEU A 8 0.086 -4.518 2.407 1.00 0.00 C ATOM 0 H LEU A 8 -1.275 -0.970 3.826 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.850 -1.379 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.647 -1.436 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.652 -1.902 2.632 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.223 -3.726 0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.972 -4.843 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.023 -3.180 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.605 -3.524 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.297 -5.537 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.681 -4.287 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.973 -4.426 2.648 1.00 0.00 H new ATOM 153 N PHE A 9 -3.163 -3.326 1.905 1.00 0.00 N ATOM 154 CA PHE A 9 -4.397 -3.863 2.574 1.00 0.00 C ATOM 155 C PHE A 9 -4.684 -5.245 2.019 1.00 0.00 C ATOM 156 O PHE A 9 -5.277 -5.386 0.960 1.00 0.00 O ATOM 157 CB PHE A 9 -5.512 -2.827 2.354 1.00 0.00 C ATOM 158 CG PHE A 9 -5.396 -1.544 3.202 1.00 0.00 C ATOM 159 CD1 PHE A 9 -4.388 -0.615 2.889 1.00 0.00 C ATOM 160 CD2 PHE A 9 -6.246 -1.323 4.303 1.00 0.00 C ATOM 161 CE1 PHE A 9 -4.275 0.568 3.629 1.00 0.00 C ATOM 162 CE2 PHE A 9 -5.942 -0.278 5.211 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.957 0.674 4.853 1.00 0.00 C ATOM 0 H PHE A 9 -3.205 -3.400 0.889 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.292 -3.998 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.522 -2.547 1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.471 -3.299 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.702 -0.814 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.118 -1.942 4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.673 1.387 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.453 -0.209 6.160 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.728 1.487 5.526 1.00 0.00 H new ATOM 173 N SER A 10 -4.135 -6.313 2.673 1.00 0.00 N ATOM 174 CA SER A 10 -4.516 -7.729 2.364 1.00 0.00 C ATOM 175 C SER A 10 -4.719 -7.923 0.874 1.00 0.00 C ATOM 176 O SER A 10 -3.908 -7.459 0.035 1.00 0.00 O ATOM 177 CB SER A 10 -5.677 -8.117 3.216 1.00 0.00 C ATOM 178 OG SER A 10 -6.296 -9.361 2.853 1.00 0.00 O ATOM 0 H SER A 10 -3.435 -6.223 3.409 1.00 0.00 H new ATOM 0 HA SER A 10 -3.707 -8.414 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.345 -8.180 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.426 -7.326 3.169 1.00 0.00 H new ATOM 0 HG SER A 10 -7.266 -9.238 2.792 1.00 0.00 H new ATOM 184 N SER A 11 -5.838 -8.592 0.508 1.00 0.00 N ATOM 185 CA SER A 11 -5.958 -9.395 -0.727 1.00 0.00 C ATOM 186 C SER A 11 -5.588 -10.866 -0.424 1.00 0.00 C ATOM 187 O SER A 11 -6.361 -11.805 -0.783 1.00 0.00 O ATOM 188 CB SER A 11 -5.075 -8.820 -1.810 1.00 0.00 C ATOM 189 OG SER A 11 -3.681 -9.272 -1.625 1.00 0.00 O ATOM 0 H SER A 11 -6.690 -8.588 1.069 1.00 0.00 H new ATOM 0 HA SER A 11 -6.987 -9.364 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.439 -9.131 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.118 -7.731 -1.785 1.00 0.00 H new ATOM 0 HG SER A 11 -3.484 -9.993 -2.259 1.00 0.00 H new ATOM 195 N ALA A 12 -4.454 -11.073 0.240 1.00 0.00 N ATOM 196 CA ALA A 12 -3.834 -12.345 0.535 1.00 0.00 C ATOM 197 C ALA A 12 -2.775 -12.252 1.632 1.00 0.00 C ATOM 198 O ALA A 12 -1.721 -12.904 1.533 1.00 0.00 O ATOM 199 CB ALA A 12 -3.270 -13.021 -0.720 1.00 0.00 C ATOM 0 H ALA A 12 -3.911 -10.293 0.610 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.634 -12.977 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.815 -13.973 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.076 -13.195 -1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.518 -12.376 -1.174 1.00 0.00 H new ATOM 205 N GLY A 13 -3.022 -11.422 2.650 1.00 0.00 N ATOM 206 CA GLY A 13 -2.237 -11.301 3.884 1.00 0.00 C ATOM 207 C GLY A 13 -0.752 -11.479 3.709 1.00 0.00 C ATOM 208 O GLY A 13 0.033 -10.463 3.761 1.00 0.00 O ATOM 0 H GLY A 13 -3.817 -10.783 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.422 -10.320 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.595 -12.041 4.600 1.00 0.00 H new ATOM 212 N MET A 14 -0.256 -12.698 3.543 1.00 0.00 N ATOM 213 CA MET A 14 1.154 -13.123 3.605 1.00 0.00 C ATOM 214 C MET A 14 2.070 -12.358 2.679 1.00 0.00 C ATOM 215 O MET A 14 3.321 -12.407 2.803 1.00 0.00 O ATOM 216 CB MET A 14 1.261 -14.654 3.354 1.00 0.00 C ATOM 217 CG MET A 14 2.117 -15.341 4.408 1.00 0.00 C ATOM 218 SD MET A 14 1.771 -17.146 4.612 1.00 0.00 S ATOM 219 CE MET A 14 3.440 -17.785 4.713 1.00 0.00 C ATOM 0 H MET A 14 -0.872 -13.486 3.345 1.00 0.00 H new ATOM 0 HA MET A 14 1.501 -12.889 4.612 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.263 -15.093 3.354 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.688 -14.832 2.367 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.167 -15.212 4.147 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.963 -14.843 5.365 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.408 -18.867 4.838 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.979 -17.541 3.797 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.951 -17.336 5.565 1.00 0.00 H new ATOM 229 N SER A 15 1.488 -11.642 1.676 1.00 0.00 N ATOM 230 CA SER A 15 2.178 -10.938 0.593 1.00 0.00 C ATOM 231 C SER A 15 2.009 -9.406 0.672 1.00 0.00 C ATOM 232 O SER A 15 2.429 -8.653 -0.202 1.00 0.00 O ATOM 233 CB SER A 15 1.618 -11.435 -0.763 1.00 0.00 C ATOM 234 OG SER A 15 0.675 -12.499 -0.556 1.00 0.00 O ATOM 0 H SER A 15 0.475 -11.545 1.611 1.00 0.00 H new ATOM 0 HA SER A 15 3.242 -11.154 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.136 -10.611 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.435 -11.782 -1.396 1.00 0.00 H new ATOM 0 HG SER A 15 -0.205 -12.225 -0.888 1.00 0.00 H new ATOM 240 N THR A 16 1.419 -8.947 1.801 1.00 0.00 N ATOM 241 CA THR A 16 1.539 -7.646 2.453 1.00 0.00 C ATOM 242 C THR A 16 2.961 -7.476 3.086 1.00 0.00 C ATOM 243 O THR A 16 3.814 -6.762 2.636 1.00 0.00 O ATOM 244 CB THR A 16 0.533 -7.371 3.570 1.00 0.00 C ATOM 245 OG1 THR A 16 0.640 -8.327 4.669 1.00 0.00 O ATOM 246 CG2 THR A 16 -0.875 -7.065 3.150 1.00 0.00 C ATOM 0 H THR A 16 0.784 -9.551 2.322 1.00 0.00 H new ATOM 0 HA THR A 16 1.343 -6.940 1.646 1.00 0.00 H new ATOM 0 HB THR A 16 0.849 -6.406 3.965 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.076 -9.106 4.481 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.488 -6.889 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.882 -6.175 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.279 -7.908 2.590 1.00 0.00 H new ATOM 254 N SER A 17 3.082 -8.193 4.247 1.00 0.00 N ATOM 255 CA SER A 17 4.068 -7.868 5.314 1.00 0.00 C ATOM 256 C SER A 17 5.452 -7.690 4.711 1.00 0.00 C ATOM 257 O SER A 17 6.243 -6.812 5.146 1.00 0.00 O ATOM 258 CB SER A 17 4.057 -9.033 6.312 1.00 0.00 C ATOM 259 OG SER A 17 3.178 -8.779 7.409 1.00 0.00 O ATOM 0 H SER A 17 2.502 -9.004 4.462 1.00 0.00 H new ATOM 0 HA SER A 17 3.807 -6.936 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.749 -9.946 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.067 -9.202 6.686 1.00 0.00 H new ATOM 0 HG SER A 17 3.194 -9.542 8.024 1.00 0.00 H new ATOM 265 N LEU A 18 5.750 -8.496 3.652 1.00 0.00 N ATOM 266 CA LEU A 18 7.072 -8.715 3.069 1.00 0.00 C ATOM 267 C LEU A 18 7.252 -7.856 1.815 1.00 0.00 C ATOM 268 O LEU A 18 8.362 -7.756 1.272 1.00 0.00 O ATOM 269 CB LEU A 18 7.174 -10.211 2.746 1.00 0.00 C ATOM 270 CG LEU A 18 8.236 -11.062 3.549 1.00 0.00 C ATOM 271 CD1 LEU A 18 7.647 -12.110 4.449 1.00 0.00 C ATOM 272 CD2 LEU A 18 9.380 -11.489 2.628 1.00 0.00 C ATOM 0 H LEU A 18 5.026 -9.029 3.170 1.00 0.00 H new ATOM 0 HA LEU A 18 7.863 -8.425 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.193 -10.658 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.397 -10.311 1.684 1.00 0.00 H new ATOM 0 HG LEU A 18 8.699 -10.420 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.449 -12.644 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.001 -11.635 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.063 -12.813 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.104 -12.074 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.984 -12.093 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.868 -10.604 2.220 1.00 0.00 H new ATOM 284 N LEU A 19 6.172 -7.183 1.323 1.00 0.00 N ATOM 285 CA LEU A 19 6.182 -5.940 0.557 1.00 0.00 C ATOM 286 C LEU A 19 6.597 -4.774 1.504 1.00 0.00 C ATOM 287 O LEU A 19 7.560 -4.101 1.268 1.00 0.00 O ATOM 288 CB LEU A 19 4.652 -5.699 0.212 1.00 0.00 C ATOM 289 CG LEU A 19 4.078 -6.624 -0.892 1.00 0.00 C ATOM 290 CD1 LEU A 19 3.264 -5.930 -1.978 1.00 0.00 C ATOM 291 CD2 LEU A 19 5.171 -7.546 -1.497 1.00 0.00 C ATOM 0 H LEU A 19 5.224 -7.530 1.469 1.00 0.00 H new ATOM 0 HA LEU A 19 6.847 -5.986 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.064 -5.834 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.524 -4.662 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 19 3.350 -7.242 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.911 -6.669 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.409 -5.427 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.889 -5.197 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.728 -8.178 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.959 -6.935 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.594 -8.172 -0.712 1.00 0.00 H new ATOM 303 N VAL A 20 5.750 -4.531 2.557 1.00 0.00 N ATOM 304 CA VAL A 20 5.887 -3.450 3.527 1.00 0.00 C ATOM 305 C VAL A 20 7.242 -3.586 4.271 1.00 0.00 C ATOM 306 O VAL A 20 7.837 -2.608 4.697 1.00 0.00 O ATOM 307 CB VAL A 20 4.663 -3.527 4.481 1.00 0.00 C ATOM 308 CG1 VAL A 20 4.898 -2.940 5.883 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.383 -2.976 3.822 1.00 0.00 C ATOM 0 H VAL A 20 4.934 -5.116 2.738 1.00 0.00 H new ATOM 0 HA VAL A 20 5.896 -2.470 3.049 1.00 0.00 H new ATOM 0 HB VAL A 20 4.514 -4.592 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.989 -3.039 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.710 -3.478 6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.162 -1.886 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.552 -3.049 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.536 -1.932 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.155 -3.557 2.928 1.00 0.00 H new ATOM 319 N SER A 21 7.690 -4.873 4.455 1.00 0.00 N ATOM 320 CA SER A 21 8.872 -5.215 5.270 1.00 0.00 C ATOM 321 C SER A 21 10.144 -5.333 4.401 1.00 0.00 C ATOM 322 O SER A 21 11.246 -5.095 4.892 1.00 0.00 O ATOM 323 CB SER A 21 8.658 -6.522 6.028 1.00 0.00 C ATOM 324 OG SER A 21 8.685 -6.329 7.459 1.00 0.00 O ATOM 0 H SER A 21 7.234 -5.685 4.039 1.00 0.00 H new ATOM 0 HA SER A 21 9.008 -4.404 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.701 -6.956 5.739 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.431 -7.236 5.744 1.00 0.00 H new ATOM 0 HG SER A 21 8.543 -7.189 7.908 1.00 0.00 H new ATOM 330 N LYS A 22 9.918 -5.679 3.118 1.00 0.00 N ATOM 331 CA LYS A 22 11.002 -5.619 2.106 1.00 0.00 C ATOM 332 C LYS A 22 11.171 -4.082 1.693 1.00 0.00 C ATOM 333 O LYS A 22 12.231 -3.617 1.554 1.00 0.00 O ATOM 334 CB LYS A 22 10.610 -6.400 0.839 1.00 0.00 C ATOM 335 CG LYS A 22 11.704 -6.148 -0.268 1.00 0.00 C ATOM 336 CD LYS A 22 11.818 -7.343 -1.250 1.00 0.00 C ATOM 337 CE LYS A 22 12.647 -8.438 -0.593 1.00 0.00 C ATOM 338 NZ LYS A 22 14.058 -8.052 -0.424 1.00 0.00 N ATOM 0 H LYS A 22 9.018 -5.997 2.759 1.00 0.00 H new ATOM 0 HA LYS A 22 11.915 -6.047 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.534 -7.465 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.631 -6.077 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.457 -5.244 -0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.669 -5.976 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.827 -7.720 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.285 -7.023 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.220 -8.678 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.591 -9.344 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.647 -8.907 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.360 -7.476 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.164 -7.500 0.451 1.00 0.00 H new ATOM 352 N MET A 23 9.955 -3.499 1.494 1.00 0.00 N ATOM 353 CA MET A 23 9.800 -2.037 1.255 1.00 0.00 C ATOM 354 C MET A 23 10.485 -1.270 2.429 1.00 0.00 C ATOM 355 O MET A 23 11.405 -0.534 2.264 1.00 0.00 O ATOM 356 CB MET A 23 8.336 -1.637 1.176 1.00 0.00 C ATOM 357 CG MET A 23 7.718 -1.828 -0.228 1.00 0.00 C ATOM 358 SD MET A 23 6.554 -0.474 -0.686 1.00 0.00 S ATOM 359 CE MET A 23 5.520 -0.418 0.770 1.00 0.00 C ATOM 0 H MET A 23 9.075 -4.015 1.494 1.00 0.00 H new ATOM 0 HA MET A 23 10.265 -1.786 0.302 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.768 -2.225 1.897 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.237 -0.592 1.468 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.517 -1.880 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.190 -2.781 -0.261 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.487 -0.230 0.476 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.580 -1.371 1.296 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.861 0.381 1.428 1.00 0.00 H new ATOM 369 N ARG A 24 9.854 -1.458 3.631 1.00 0.00 N ATOM 370 CA ARG A 24 10.255 -0.786 4.885 1.00 0.00 C ATOM 371 C ARG A 24 11.816 -0.692 4.927 1.00 0.00 C ATOM 372 O ARG A 24 12.367 0.320 5.296 1.00 0.00 O ATOM 373 CB ARG A 24 9.776 -1.606 6.098 1.00 0.00 C ATOM 374 CG ARG A 24 8.647 -0.899 6.898 1.00 0.00 C ATOM 375 CD ARG A 24 7.822 -1.962 7.674 1.00 0.00 C ATOM 376 NE ARG A 24 6.814 -1.277 8.519 1.00 0.00 N ATOM 377 CZ ARG A 24 6.371 -1.687 9.723 1.00 0.00 C ATOM 378 NH1 ARG A 24 6.776 -2.858 10.269 1.00 0.00 N ATOM 379 NH2 ARG A 24 5.560 -0.894 10.477 1.00 0.00 N ATOM 0 H ARG A 24 9.055 -2.082 3.744 1.00 0.00 H new ATOM 0 HA ARG A 24 9.809 0.208 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.418 -2.577 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.621 -1.793 6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.076 -0.177 7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.999 -0.343 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.329 -2.638 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.481 -2.570 8.294 1.00 0.00 H new ATOM 0 HE ARG A 24 6.418 -0.411 8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.433 -3.455 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.424 -3.143 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.280 0.024 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.232 -1.218 11.387 1.00 0.00 H new ATOM 393 N ALA A 25 12.436 -1.836 4.599 1.00 0.00 N ATOM 394 CA ALA A 25 13.861 -1.902 4.177 1.00 0.00 C ATOM 395 C ALA A 25 14.254 -0.673 3.336 1.00 0.00 C ATOM 396 O ALA A 25 14.874 0.252 3.867 1.00 0.00 O ATOM 397 CB ALA A 25 14.152 -3.187 3.419 1.00 0.00 C ATOM 0 H ALA A 25 11.973 -2.745 4.616 1.00 0.00 H new ATOM 0 HA ALA A 25 14.469 -1.898 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.201 -3.206 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.940 -4.043 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.524 -3.235 2.529 1.00 0.00 H new ATOM 403 N GLN A 26 13.875 -0.676 2.045 1.00 0.00 N ATOM 404 CA GLN A 26 14.021 0.428 1.091 1.00 0.00 C ATOM 405 C GLN A 26 14.166 1.787 1.877 1.00 0.00 C ATOM 406 O GLN A 26 15.148 2.502 1.710 1.00 0.00 O ATOM 407 CB GLN A 26 12.772 0.520 0.221 1.00 0.00 C ATOM 408 CG GLN A 26 12.572 -0.510 -0.867 1.00 0.00 C ATOM 409 CD GLN A 26 13.355 -1.791 -0.721 1.00 0.00 C ATOM 410 OE1 GLN A 26 14.573 -1.870 -0.479 1.00 0.00 O ATOM 411 NE2 GLN A 26 12.668 -2.976 -0.807 1.00 0.00 N ATOM 0 H GLN A 26 13.436 -1.494 1.621 1.00 0.00 H new ATOM 0 HA GLN A 26 14.902 0.248 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.905 0.478 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.767 1.503 -0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.512 -0.759 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.834 -0.055 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.667 -2.972 -1.003 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.158 -3.861 -0.675 1.00 0.00 H new ATOM 420 N ALA A 27 13.112 2.139 2.638 1.00 0.00 N ATOM 421 CA ALA A 27 12.810 3.466 3.138 1.00 0.00 C ATOM 422 C ALA A 27 13.449 3.818 4.463 1.00 0.00 C ATOM 423 O ALA A 27 13.467 4.974 4.920 1.00 0.00 O ATOM 424 CB ALA A 27 11.276 3.733 3.185 1.00 0.00 C ATOM 0 H ALA A 27 12.416 1.453 2.930 1.00 0.00 H new ATOM 0 HA ALA A 27 13.271 4.131 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.093 4.738 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.860 3.644 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.800 3.004 3.841 1.00 0.00 H new ATOM 430 N GLU A 28 14.006 2.785 5.157 1.00 0.00 N ATOM 431 CA GLU A 28 15.069 2.909 6.167 1.00 0.00 C ATOM 432 C GLU A 28 16.456 2.740 5.546 1.00 0.00 C ATOM 433 O GLU A 28 17.340 3.628 5.692 1.00 0.00 O ATOM 434 CB GLU A 28 14.814 1.936 7.312 1.00 0.00 C ATOM 435 CG GLU A 28 13.612 2.416 8.194 1.00 0.00 C ATOM 436 CD GLU A 28 12.328 2.669 7.312 1.00 0.00 C ATOM 437 OE1 GLU A 28 11.616 1.647 7.161 1.00 0.00 O ATOM 438 OE2 GLU A 28 12.133 3.821 6.907 1.00 0.00 O ATOM 0 H GLU A 28 13.711 1.819 5.016 1.00 0.00 H new ATOM 0 HA GLU A 28 15.048 3.918 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.604 0.944 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.710 1.849 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.393 1.667 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.884 3.332 8.718 1.00 0.00 H new ATOM 445 N LYS A 29 16.707 1.578 4.956 1.00 0.00 N ATOM 446 CA LYS A 29 17.885 1.314 4.043 1.00 0.00 C ATOM 447 C LYS A 29 18.265 2.601 3.297 1.00 0.00 C ATOM 448 O LYS A 29 19.456 2.907 3.133 1.00 0.00 O ATOM 449 CB LYS A 29 17.355 0.237 2.996 1.00 0.00 C ATOM 450 CG LYS A 29 18.407 0.169 1.860 1.00 0.00 C ATOM 451 CD LYS A 29 18.496 -1.178 1.159 1.00 0.00 C ATOM 452 CE LYS A 29 17.057 -1.647 0.790 1.00 0.00 C ATOM 453 NZ LYS A 29 17.126 -2.774 -0.154 1.00 0.00 N ATOM 0 H LYS A 29 16.108 0.761 5.080 1.00 0.00 H new ATOM 0 HA LYS A 29 18.763 0.972 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.233 -0.737 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.380 0.525 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.173 0.934 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 29 19.385 0.414 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.108 -1.097 0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.977 -1.910 1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.521 -1.947 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.499 -0.823 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.202 -2.897 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.850 -2.579 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.374 -3.643 0.360 1.00 0.00 H new ATOM 467 N TYR A 30 17.247 3.309 2.781 1.00 0.00 N ATOM 468 CA TYR A 30 17.277 4.656 2.186 1.00 0.00 C ATOM 469 C TYR A 30 16.308 5.559 2.965 1.00 0.00 C ATOM 470 O TYR A 30 15.100 5.257 3.083 1.00 0.00 O ATOM 471 CB TYR A 30 16.699 4.499 0.693 1.00 0.00 C ATOM 472 CG TYR A 30 17.291 3.271 -0.008 1.00 0.00 C ATOM 473 CD1 TYR A 30 18.657 3.072 0.045 1.00 0.00 C ATOM 474 CD2 TYR A 30 16.437 2.329 -0.647 1.00 0.00 C ATOM 475 CE1 TYR A 30 19.250 2.049 -0.710 1.00 0.00 C ATOM 476 CE2 TYR A 30 17.007 1.166 -1.196 1.00 0.00 C ATOM 477 CZ TYR A 30 18.410 1.082 -1.289 1.00 0.00 C ATOM 478 OH TYR A 30 18.984 0.046 -1.942 1.00 0.00 O ATOM 0 H TYR A 30 16.303 2.922 2.768 1.00 0.00 H new ATOM 0 HA TYR A 30 18.282 5.078 2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.613 4.412 0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.928 5.395 0.116 1.00 0.00 H new ATOM 0 HD1 TYR A 30 19.270 3.705 0.669 1.00 0.00 H new ATOM 0 HD2 TYR A 30 15.373 2.503 -0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 30 20.321 2.006 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 30 16.382 0.355 -1.539 1.00 0.00 H new ATOM 0 HH TYR A 30 18.287 -0.547 -2.292 1.00 0.00 H new ATOM 488 N GLU A 31 16.847 6.656 3.490 1.00 0.00 N ATOM 489 CA GLU A 31 16.176 7.577 4.452 1.00 0.00 C ATOM 490 C GLU A 31 14.648 7.669 4.084 1.00 0.00 C ATOM 491 O GLU A 31 13.815 7.769 4.927 1.00 0.00 O ATOM 492 CB GLU A 31 16.806 8.939 4.420 1.00 0.00 C ATOM 493 CG GLU A 31 18.080 9.047 5.282 1.00 0.00 C ATOM 494 CD GLU A 31 17.839 9.725 6.660 1.00 0.00 C ATOM 495 OE1 GLU A 31 16.625 9.878 6.981 1.00 0.00 O ATOM 496 OE2 GLU A 31 18.830 10.067 7.361 1.00 0.00 O ATOM 0 H GLU A 31 17.795 6.954 3.260 1.00 0.00 H new ATOM 0 HA GLU A 31 16.289 7.186 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.052 9.193 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.080 9.675 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.486 8.048 5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.833 9.613 4.734 1.00 0.00 H new ATOM 503 N VAL A 32 14.434 7.719 2.749 1.00 0.00 N ATOM 504 CA VAL A 32 13.201 8.099 2.074 1.00 0.00 C ATOM 505 C VAL A 32 12.070 8.363 3.085 1.00 0.00 C ATOM 506 O VAL A 32 11.155 7.550 3.270 1.00 0.00 O ATOM 507 CB VAL A 32 12.831 6.990 1.029 1.00 0.00 C ATOM 508 CG1 VAL A 32 11.656 7.347 0.106 1.00 0.00 C ATOM 509 CG2 VAL A 32 14.043 6.542 0.217 1.00 0.00 C ATOM 0 H VAL A 32 15.171 7.478 2.086 1.00 0.00 H new ATOM 0 HA VAL A 32 13.347 9.038 1.539 1.00 0.00 H new ATOM 0 HB VAL A 32 12.487 6.152 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.471 6.523 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.764 7.526 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.899 8.246 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.741 5.773 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.454 7.395 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.801 6.138 0.888 1.00 0.00 H new ATOM 519 N PRO A 33 12.159 9.499 3.800 1.00 0.00 N ATOM 520 CA PRO A 33 11.329 9.855 4.972 1.00 0.00 C ATOM 521 C PRO A 33 9.808 9.566 4.897 1.00 0.00 C ATOM 522 O PRO A 33 8.950 10.445 4.780 1.00 0.00 O ATOM 523 CB PRO A 33 11.609 11.348 5.185 1.00 0.00 C ATOM 524 CG PRO A 33 13.147 11.366 4.968 1.00 0.00 C ATOM 525 CD PRO A 33 13.267 10.480 3.678 1.00 0.00 C ATOM 0 HA PRO A 33 11.611 9.208 5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.080 11.978 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.324 11.688 6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.532 12.374 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.689 10.942 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.169 11.080 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.235 9.982 3.627 1.00 0.00 H new ATOM 533 N VAL A 34 9.524 8.250 5.105 1.00 0.00 N ATOM 534 CA VAL A 34 8.180 7.706 5.120 1.00 0.00 C ATOM 535 C VAL A 34 8.095 6.321 5.780 1.00 0.00 C ATOM 536 O VAL A 34 9.101 5.644 6.076 1.00 0.00 O ATOM 537 CB VAL A 34 7.514 7.771 3.751 1.00 0.00 C ATOM 538 CG1 VAL A 34 7.876 8.972 2.883 1.00 0.00 C ATOM 539 CG2 VAL A 34 7.535 6.447 2.968 1.00 0.00 C ATOM 0 H VAL A 34 10.246 7.548 5.267 1.00 0.00 H new ATOM 0 HA VAL A 34 7.594 8.359 5.767 1.00 0.00 H new ATOM 0 HB VAL A 34 6.473 7.946 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.342 8.910 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.595 9.891 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.950 8.975 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.040 6.585 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.567 6.138 2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.013 5.679 3.538 1.00 0.00 H new ATOM 549 N ILE A 35 6.858 5.952 6.095 1.00 0.00 N ATOM 550 CA ILE A 35 6.403 4.791 6.909 1.00 0.00 C ATOM 551 C ILE A 35 5.432 3.904 6.071 1.00 0.00 C ATOM 552 O ILE A 35 4.923 4.327 5.043 1.00 0.00 O ATOM 553 CB ILE A 35 5.673 5.389 8.172 1.00 0.00 C ATOM 554 CG1 ILE A 35 6.660 5.943 9.187 1.00 0.00 C ATOM 555 CG2 ILE A 35 4.535 4.559 8.697 1.00 0.00 C ATOM 556 CD1 ILE A 35 6.592 5.431 10.613 1.00 0.00 C ATOM 0 H ILE A 35 6.062 6.498 5.765 1.00 0.00 H new ATOM 0 HA ILE A 35 7.238 4.159 7.212 1.00 0.00 H new ATOM 0 HB ILE A 35 5.122 6.268 7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.665 5.750 8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.534 7.025 9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.096 5.051 9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.777 4.448 7.921 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.905 3.575 8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.359 5.921 11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.609 5.649 11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.759 4.354 10.621 1.00 0.00 H new ATOM 568 N ILE A 36 5.254 2.675 6.548 1.00 0.00 N ATOM 569 CA ILE A 36 4.484 1.565 5.922 1.00 0.00 C ATOM 570 C ILE A 36 3.735 0.761 6.992 1.00 0.00 C ATOM 571 O ILE A 36 4.269 0.505 8.091 1.00 0.00 O ATOM 572 CB ILE A 36 5.505 0.684 5.100 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.644 1.540 4.549 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.796 -0.166 4.039 1.00 0.00 C ATOM 575 CD1 ILE A 36 7.776 0.812 3.829 1.00 0.00 C ATOM 0 H ILE A 36 5.664 2.393 7.439 1.00 0.00 H new ATOM 0 HA ILE A 36 3.719 1.946 5.245 1.00 0.00 H new ATOM 0 HB ILE A 36 5.967 -0.034 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.217 2.268 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.076 2.102 5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.532 -0.758 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.082 -0.832 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.269 0.486 3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.516 1.536 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.247 0.105 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.374 0.274 2.970 1.00 0.00 H new ATOM 587 N GLU A 37 2.491 0.400 6.739 1.00 0.00 N ATOM 588 CA GLU A 37 1.698 -0.663 7.396 1.00 0.00 C ATOM 589 C GLU A 37 0.623 -1.258 6.442 1.00 0.00 C ATOM 590 O GLU A 37 0.317 -0.698 5.409 1.00 0.00 O ATOM 591 CB GLU A 37 1.061 -0.199 8.695 1.00 0.00 C ATOM 592 CG GLU A 37 1.992 0.637 9.598 1.00 0.00 C ATOM 593 CD GLU A 37 2.905 -0.185 10.511 1.00 0.00 C ATOM 594 OE1 GLU A 37 2.820 -1.435 10.499 1.00 0.00 O ATOM 595 OE2 GLU A 37 3.663 0.501 11.276 1.00 0.00 O ATOM 0 H GLU A 37 1.951 0.871 6.013 1.00 0.00 H new ATOM 0 HA GLU A 37 2.406 -1.453 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.176 0.392 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.723 -1.073 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.611 1.275 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.381 1.296 10.215 1.00 0.00 H new ATOM 602 N ALA A 38 0.221 -2.499 6.777 1.00 0.00 N ATOM 603 CA ALA A 38 -0.397 -3.498 5.816 1.00 0.00 C ATOM 604 C ALA A 38 -1.486 -4.272 6.550 1.00 0.00 C ATOM 605 O ALA A 38 -1.248 -5.038 7.478 1.00 0.00 O ATOM 606 CB ALA A 38 0.746 -4.526 5.479 1.00 0.00 C ATOM 0 H ALA A 38 0.307 -2.862 7.726 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.807 -3.006 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.367 -5.278 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.584 -4.001 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.080 -5.012 6.396 1.00 0.00 H new ATOM 612 N PHE A 39 -2.763 -4.014 6.150 1.00 0.00 N ATOM 613 CA PHE A 39 -3.972 -4.237 6.930 1.00 0.00 C ATOM 614 C PHE A 39 -4.949 -5.175 6.297 1.00 0.00 C ATOM 615 O PHE A 39 -4.753 -5.630 5.164 1.00 0.00 O ATOM 616 CB PHE A 39 -4.614 -2.825 7.244 1.00 0.00 C ATOM 617 CG PHE A 39 -3.600 -1.846 7.888 1.00 0.00 C ATOM 618 CD1 PHE A 39 -2.600 -2.378 8.709 1.00 0.00 C ATOM 619 CD2 PHE A 39 -3.691 -0.463 7.664 1.00 0.00 C ATOM 620 CE1 PHE A 39 -1.765 -1.533 9.451 1.00 0.00 C ATOM 621 CE2 PHE A 39 -2.798 0.410 8.318 1.00 0.00 C ATOM 622 CZ PHE A 39 -1.873 -0.142 9.229 1.00 0.00 C ATOM 0 H PHE A 39 -2.965 -3.627 5.228 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.694 -4.745 7.854 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.999 -2.390 6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.464 -2.956 7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.471 -3.448 8.771 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.441 -0.070 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.063 -1.931 10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.821 1.473 8.127 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.223 0.524 9.777 1.00 0.00 H new ATOM 632 N PRO A 40 -6.004 -5.613 7.052 1.00 0.00 N ATOM 633 CA PRO A 40 -7.133 -6.394 6.588 1.00 0.00 C ATOM 634 C PRO A 40 -8.359 -5.690 5.963 1.00 0.00 C ATOM 635 O PRO A 40 -9.524 -5.930 6.353 1.00 0.00 O ATOM 636 CB PRO A 40 -7.530 -7.311 7.753 1.00 0.00 C ATOM 637 CG PRO A 40 -6.852 -6.787 8.965 1.00 0.00 C ATOM 638 CD PRO A 40 -6.028 -5.547 8.538 1.00 0.00 C ATOM 0 HA PRO A 40 -6.774 -6.916 5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.612 -7.317 7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.227 -8.339 7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.583 -6.518 9.727 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.203 -7.547 9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.490 -4.623 8.887 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.021 -5.577 8.953 1.00 0.00 H new ATOM 646 N GLU A 41 -8.079 -4.950 4.932 1.00 0.00 N ATOM 647 CA GLU A 41 -8.903 -3.915 4.319 1.00 0.00 C ATOM 648 C GLU A 41 -9.658 -3.035 5.269 1.00 0.00 C ATOM 649 O GLU A 41 -9.570 -1.756 5.123 1.00 0.00 O ATOM 650 CB GLU A 41 -9.818 -4.525 3.225 1.00 0.00 C ATOM 651 CG GLU A 41 -10.501 -5.795 3.674 1.00 0.00 C ATOM 652 CD GLU A 41 -9.745 -7.116 3.546 1.00 0.00 C ATOM 653 OE1 GLU A 41 -9.517 -7.556 2.401 1.00 0.00 O ATOM 654 OE2 GLU A 41 -9.381 -7.696 4.641 1.00 0.00 O ATOM 0 H GLU A 41 -7.190 -5.054 4.444 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.198 -3.226 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.574 -3.793 2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.224 -4.733 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.775 -5.671 4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.429 -5.889 3.110 1.00 0.00 H new ATOM 661 N THR A 42 -10.479 -3.563 6.194 1.00 0.00 N ATOM 662 CA THR A 42 -11.217 -2.951 7.286 1.00 0.00 C ATOM 663 C THR A 42 -11.080 -1.446 7.409 1.00 0.00 C ATOM 664 O THR A 42 -12.073 -0.703 7.527 1.00 0.00 O ATOM 665 CB THR A 42 -11.084 -3.602 8.645 1.00 0.00 C ATOM 666 OG1 THR A 42 -10.738 -2.667 9.695 1.00 0.00 O ATOM 667 CG2 THR A 42 -10.152 -4.837 8.617 1.00 0.00 C ATOM 0 H THR A 42 -10.656 -4.567 6.180 1.00 0.00 H new ATOM 0 HA THR A 42 -12.232 -3.160 6.949 1.00 0.00 H new ATOM 0 HB THR A 42 -12.079 -3.969 8.898 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.668 -3.144 10.548 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.090 -5.268 9.616 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.552 -5.579 7.926 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.157 -4.535 8.289 1.00 0.00 H new ATOM 675 N LEU A 43 -9.798 -0.966 7.465 1.00 0.00 N ATOM 676 CA LEU A 43 -9.331 0.315 7.813 1.00 0.00 C ATOM 677 C LEU A 43 -8.376 0.954 6.791 1.00 0.00 C ATOM 678 O LEU A 43 -7.449 1.692 7.194 1.00 0.00 O ATOM 679 CB LEU A 43 -8.762 0.396 9.219 1.00 0.00 C ATOM 680 CG LEU A 43 -7.625 -0.411 9.764 1.00 0.00 C ATOM 681 CD1 LEU A 43 -8.011 -1.212 11.069 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.959 -1.374 8.730 1.00 0.00 C ATOM 0 H LEU A 43 -9.018 -1.580 7.231 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.238 0.919 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.474 1.438 9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.603 0.205 9.886 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.881 0.343 10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.147 -1.778 11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.325 -0.514 11.845 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.828 -1.898 10.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.146 -1.918 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.701 -2.082 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.564 -0.795 7.895 1.00 0.00 H new ATOM 694 N ALA A 44 -8.562 0.699 5.488 1.00 0.00 N ATOM 695 CA ALA A 44 -8.017 1.628 4.409 1.00 0.00 C ATOM 696 C ALA A 44 -8.821 2.965 4.461 1.00 0.00 C ATOM 697 O ALA A 44 -8.266 4.009 4.348 1.00 0.00 O ATOM 698 CB ALA A 44 -8.171 0.949 3.078 1.00 0.00 C ATOM 0 H ALA A 44 -9.067 -0.112 5.132 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.961 1.850 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.786 1.598 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.613 0.013 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.225 0.743 2.895 1.00 0.00 H new ATOM 704 N GLY A 45 -10.142 2.816 4.746 1.00 0.00 N ATOM 705 CA GLY A 45 -10.987 3.915 5.269 1.00 0.00 C ATOM 706 C GLY A 45 -10.271 4.730 6.360 1.00 0.00 C ATOM 707 O GLY A 45 -10.068 5.963 6.175 1.00 0.00 O ATOM 0 H GLY A 45 -10.644 1.937 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.268 4.576 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.910 3.500 5.675 1.00 0.00 H new ATOM 711 N GLU A 46 -9.906 4.104 7.473 1.00 0.00 N ATOM 712 CA GLU A 46 -9.429 4.706 8.721 1.00 0.00 C ATOM 713 C GLU A 46 -7.916 4.862 8.832 1.00 0.00 C ATOM 714 O GLU A 46 -7.439 5.898 9.385 1.00 0.00 O ATOM 715 CB GLU A 46 -10.063 4.019 9.942 1.00 0.00 C ATOM 716 CG GLU A 46 -9.086 3.689 11.066 1.00 0.00 C ATOM 717 CD GLU A 46 -8.775 4.850 12.008 1.00 0.00 C ATOM 718 OE1 GLU A 46 -9.514 5.026 13.011 1.00 0.00 O ATOM 719 OE2 GLU A 46 -7.717 5.525 11.772 1.00 0.00 O ATOM 0 H GLU A 46 -9.937 3.086 7.535 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.777 5.739 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.847 4.664 10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.544 3.097 9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.493 2.864 11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.153 3.337 10.625 1.00 0.00 H new ATOM 726 N LYS A 47 -7.140 3.872 8.423 1.00 0.00 N ATOM 727 CA LYS A 47 -5.649 3.989 8.297 1.00 0.00 C ATOM 728 C LYS A 47 -5.263 4.786 7.036 1.00 0.00 C ATOM 729 O LYS A 47 -4.468 5.703 7.050 1.00 0.00 O ATOM 730 CB LYS A 47 -5.026 2.554 8.145 1.00 0.00 C ATOM 731 CG LYS A 47 -4.741 2.019 9.565 1.00 0.00 C ATOM 732 CD LYS A 47 -3.500 2.570 10.265 1.00 0.00 C ATOM 733 CE LYS A 47 -3.176 1.787 11.534 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.490 2.729 12.525 1.00 0.00 N ATOM 0 H LYS A 47 -7.500 2.954 8.163 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.278 4.496 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.712 1.892 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.108 2.595 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.608 2.232 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.648 0.934 9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.650 2.529 9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.658 3.619 10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.088 1.378 11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.527 0.943 11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.262 2.210 13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.614 3.099 12.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.127 3.520 12.750 1.00 0.00 H new ATOM 748 N GLY A 48 -5.890 4.334 5.904 1.00 0.00 N ATOM 749 CA GLY A 48 -5.927 5.150 4.663 1.00 0.00 C ATOM 750 C GLY A 48 -6.188 6.629 4.924 1.00 0.00 C ATOM 751 O GLY A 48 -5.599 7.516 4.236 1.00 0.00 O ATOM 0 H GLY A 48 -6.362 3.433 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.978 5.042 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.703 4.762 4.004 1.00 0.00 H new ATOM 755 N GLN A 49 -7.068 6.946 5.901 1.00 0.00 N ATOM 756 CA GLN A 49 -7.203 8.302 6.509 1.00 0.00 C ATOM 757 C GLN A 49 -5.855 8.820 7.000 1.00 0.00 C ATOM 758 O GLN A 49 -5.426 9.964 6.632 1.00 0.00 O ATOM 759 CB GLN A 49 -8.228 8.206 7.621 1.00 0.00 C ATOM 760 CG GLN A 49 -7.927 9.093 8.868 1.00 0.00 C ATOM 761 CD GLN A 49 -9.024 8.998 9.929 1.00 0.00 C ATOM 762 OE1 GLN A 49 -9.940 9.868 10.041 1.00 0.00 O ATOM 763 NE2 GLN A 49 -9.014 7.960 10.776 1.00 0.00 N ATOM 0 H GLN A 49 -7.714 6.264 6.298 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.544 9.025 5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.203 8.484 7.222 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.300 7.167 7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.975 8.790 9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.818 10.131 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.286 7.249 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.734 7.881 11.494 1.00 0.00 H new ATOM 772 N ASN A 50 -5.186 8.063 7.886 1.00 0.00 N ATOM 773 CA ASN A 50 -3.794 8.185 8.290 1.00 0.00 C ATOM 774 C ASN A 50 -2.780 7.780 7.237 1.00 0.00 C ATOM 775 O ASN A 50 -1.622 7.433 7.552 1.00 0.00 O ATOM 776 CB ASN A 50 -3.565 7.387 9.618 1.00 0.00 C ATOM 777 CG ASN A 50 -2.530 8.090 10.536 1.00 0.00 C ATOM 778 OD1 ASN A 50 -1.436 8.477 10.155 1.00 0.00 O ATOM 779 ND2 ASN A 50 -2.893 8.275 11.837 1.00 0.00 N ATOM 0 H ASN A 50 -5.649 7.294 8.370 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.618 9.250 8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.511 7.283 10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.219 6.380 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.253 8.734 12.485 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.805 7.955 12.163 1.00 0.00 H new ATOM 786 N ALA A 51 -3.226 7.642 5.961 1.00 0.00 N ATOM 787 CA ALA A 51 -2.366 7.377 4.789 1.00 0.00 C ATOM 788 C ALA A 51 -1.904 8.719 4.139 1.00 0.00 C ATOM 789 O ALA A 51 -2.461 9.768 4.447 1.00 0.00 O ATOM 790 CB ALA A 51 -3.149 6.563 3.728 1.00 0.00 C ATOM 0 H ALA A 51 -4.214 7.714 5.719 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.497 6.813 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.506 6.373 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.468 5.614 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.024 7.129 3.409 1.00 0.00 H new ATOM 796 N ASP A 52 -0.918 8.583 3.249 1.00 0.00 N ATOM 797 CA ASP A 52 -0.661 9.504 2.095 1.00 0.00 C ATOM 798 C ASP A 52 -0.949 8.760 0.764 1.00 0.00 C ATOM 799 O ASP A 52 -1.220 9.374 -0.264 1.00 0.00 O ATOM 800 CB ASP A 52 0.814 9.926 2.142 1.00 0.00 C ATOM 801 CG ASP A 52 1.760 9.062 1.270 1.00 0.00 C ATOM 802 OD1 ASP A 52 1.741 9.273 0.019 1.00 0.00 O ATOM 803 OD2 ASP A 52 2.502 8.231 1.829 1.00 0.00 O ATOM 0 H ASP A 52 -0.248 7.815 3.296 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.307 10.380 2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.892 10.964 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.157 9.886 3.176 1.00 0.00 H new ATOM 808 N VAL A 53 -0.683 7.417 0.766 1.00 0.00 N ATOM 809 CA VAL A 53 -1.058 6.479 -0.295 1.00 0.00 C ATOM 810 C VAL A 53 -1.316 5.078 0.224 1.00 0.00 C ATOM 811 O VAL A 53 -0.703 4.575 1.196 1.00 0.00 O ATOM 812 CB VAL A 53 -0.127 6.598 -1.488 1.00 0.00 C ATOM 813 CG1 VAL A 53 1.385 6.833 -1.140 1.00 0.00 C ATOM 814 CG2 VAL A 53 -0.305 5.646 -2.614 1.00 0.00 C ATOM 0 H VAL A 53 -0.188 6.964 1.534 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.034 6.766 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.506 7.534 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.964 6.904 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.489 7.759 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.755 6.000 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.432 5.857 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.171 4.626 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.307 5.755 -3.028 1.00 0.00 H new ATOM 824 N VAL A 54 -2.341 4.426 -0.347 1.00 0.00 N ATOM 825 CA VAL A 54 -2.903 3.098 0.051 1.00 0.00 C ATOM 826 C VAL A 54 -2.839 2.218 -1.235 1.00 0.00 C ATOM 827 O VAL A 54 -2.915 2.742 -2.333 1.00 0.00 O ATOM 828 CB VAL A 54 -4.397 3.358 0.469 1.00 0.00 C ATOM 829 CG1 VAL A 54 -5.084 2.201 1.137 1.00 0.00 C ATOM 830 CG2 VAL A 54 -4.568 4.698 1.195 1.00 0.00 C ATOM 0 H VAL A 54 -2.837 4.822 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.373 2.612 0.871 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.945 3.447 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.108 2.480 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.095 1.345 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.548 1.937 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.615 4.835 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.957 4.703 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.253 5.510 0.539 1.00 0.00 H new ATOM 840 N LEU A 55 -2.590 0.912 -1.041 1.00 0.00 N ATOM 841 CA LEU A 55 -2.893 -0.171 -1.981 1.00 0.00 C ATOM 842 C LEU A 55 -3.663 -1.277 -1.265 1.00 0.00 C ATOM 843 O LEU A 55 -3.397 -1.587 -0.102 1.00 0.00 O ATOM 844 CB LEU A 55 -1.523 -0.697 -2.496 1.00 0.00 C ATOM 845 CG LEU A 55 -0.334 0.282 -2.490 1.00 0.00 C ATOM 846 CD1 LEU A 55 0.843 -0.189 -1.621 1.00 0.00 C ATOM 847 CD2 LEU A 55 0.050 0.736 -3.885 1.00 0.00 C ATOM 0 H LEU A 55 -2.152 0.571 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.512 0.173 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.248 -1.563 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.662 -1.050 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.681 1.184 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.645 0.548 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.510 -0.304 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.210 -1.146 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.893 1.424 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.331 -0.130 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.797 1.240 -4.350 1.00 0.00 H new ATOM 859 N LEU A 56 -4.721 -1.826 -1.938 1.00 0.00 N ATOM 860 CA LEU A 56 -5.449 -3.052 -1.583 1.00 0.00 C ATOM 861 C LEU A 56 -5.189 -4.103 -2.693 1.00 0.00 C ATOM 862 O LEU A 56 -5.325 -3.758 -3.888 1.00 0.00 O ATOM 863 CB LEU A 56 -6.942 -2.703 -1.513 1.00 0.00 C ATOM 864 CG LEU A 56 -7.726 -2.889 -0.239 1.00 0.00 C ATOM 865 CD1 LEU A 56 -7.595 -1.744 0.824 1.00 0.00 C ATOM 866 CD2 LEU A 56 -9.216 -3.255 -0.449 1.00 0.00 C ATOM 0 H LEU A 56 -5.095 -1.392 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.123 -3.456 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.038 -1.655 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.443 -3.289 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.222 -3.757 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.202 -1.986 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.552 -1.643 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.940 -0.805 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.703 -3.370 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.710 -2.462 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.286 -4.191 -1.003 1.00 0.00 H new ATOM 878 N GLY A 57 -4.725 -5.297 -2.338 1.00 0.00 N ATOM 879 CA GLY A 57 -3.926 -6.206 -3.211 1.00 0.00 C ATOM 880 C GLY A 57 -4.771 -6.808 -4.341 1.00 0.00 C ATOM 881 O GLY A 57 -5.939 -6.422 -4.504 1.00 0.00 O ATOM 0 H GLY A 57 -4.890 -5.688 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.089 -5.654 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.503 -7.009 -2.607 1.00 0.00 H new ATOM 885 N PRO A 58 -4.181 -7.727 -5.107 1.00 0.00 N ATOM 886 CA PRO A 58 -4.593 -8.196 -6.437 1.00 0.00 C ATOM 887 C PRO A 58 -5.531 -9.420 -6.548 1.00 0.00 C ATOM 888 O PRO A 58 -6.006 -9.832 -7.618 1.00 0.00 O ATOM 889 CB PRO A 58 -3.323 -8.339 -7.241 1.00 0.00 C ATOM 890 CG PRO A 58 -2.223 -8.532 -6.236 1.00 0.00 C ATOM 891 CD PRO A 58 -2.834 -8.328 -4.852 1.00 0.00 C ATOM 0 HA PRO A 58 -5.275 -7.445 -6.836 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.384 -9.188 -7.922 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.144 -7.454 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.793 -9.530 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.415 -7.821 -6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.919 -9.273 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.217 -7.669 -4.242 1.00 0.00 H new ATOM 899 N GLN A 59 -5.948 -9.863 -5.333 1.00 0.00 N ATOM 900 CA GLN A 59 -7.282 -10.449 -5.045 1.00 0.00 C ATOM 901 C GLN A 59 -8.312 -9.359 -4.712 1.00 0.00 C ATOM 902 O GLN A 59 -9.465 -9.384 -5.193 1.00 0.00 O ATOM 903 CB GLN A 59 -7.097 -11.400 -3.846 1.00 0.00 C ATOM 904 CG GLN A 59 -6.015 -12.499 -4.106 1.00 0.00 C ATOM 905 CD GLN A 59 -4.635 -12.023 -3.663 1.00 0.00 C ATOM 906 OE1 GLN A 59 -4.427 -11.305 -2.674 1.00 0.00 O ATOM 907 NE2 GLN A 59 -3.564 -12.388 -4.445 1.00 0.00 N ATOM 0 H GLN A 59 -5.351 -9.821 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.661 -10.980 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.815 -10.819 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.049 -11.880 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.280 -13.409 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.994 -12.750 -5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.708 -12.978 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.625 -12.068 -4.206 1.00 0.00 H new ATOM 916 N ILE A 60 -7.965 -8.484 -3.752 1.00 0.00 N ATOM 917 CA ILE A 60 -8.856 -7.379 -3.215 1.00 0.00 C ATOM 918 C ILE A 60 -8.759 -6.161 -4.144 1.00 0.00 C ATOM 919 O ILE A 60 -8.401 -5.047 -3.761 1.00 0.00 O ATOM 920 CB ILE A 60 -8.560 -7.116 -1.727 1.00 0.00 C ATOM 921 CG1 ILE A 60 -9.698 -6.444 -0.932 1.00 0.00 C ATOM 922 CG2 ILE A 60 -7.182 -6.495 -1.458 1.00 0.00 C ATOM 923 CD1 ILE A 60 -10.487 -7.392 -0.005 1.00 0.00 C ATOM 0 H ILE A 60 -7.049 -8.504 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.905 -7.673 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.511 -8.123 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.276 -5.639 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -10.393 -5.986 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.055 -6.343 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.404 -7.164 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.108 -5.537 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -11.265 -6.831 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.944 -8.184 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.810 -7.832 0.727 1.00 0.00 H new ATOM 935 N ALA A 61 -9.043 -6.413 -5.437 1.00 0.00 N ATOM 936 CA ALA A 61 -9.234 -5.466 -6.518 1.00 0.00 C ATOM 937 C ALA A 61 -10.652 -4.980 -6.744 1.00 0.00 C ATOM 938 O ALA A 61 -10.848 -3.812 -7.254 1.00 0.00 O ATOM 939 CB ALA A 61 -8.669 -6.074 -7.850 1.00 0.00 C ATOM 0 H ALA A 61 -9.151 -7.373 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.686 -4.577 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.812 -5.363 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.606 -6.282 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.197 -7.000 -8.080 1.00 0.00 H new ATOM 945 N TYR A 62 -11.674 -5.786 -6.495 1.00 0.00 N ATOM 946 CA TYR A 62 -13.112 -5.422 -6.609 1.00 0.00 C ATOM 947 C TYR A 62 -13.381 -4.163 -5.757 1.00 0.00 C ATOM 948 O TYR A 62 -14.064 -3.209 -6.151 1.00 0.00 O ATOM 949 CB TYR A 62 -13.954 -6.646 -5.995 1.00 0.00 C ATOM 950 CG TYR A 62 -13.743 -6.763 -4.468 1.00 0.00 C ATOM 951 CD1 TYR A 62 -12.583 -7.343 -3.952 1.00 0.00 C ATOM 952 CD2 TYR A 62 -14.685 -6.127 -3.636 1.00 0.00 C ATOM 953 CE1 TYR A 62 -12.297 -7.214 -2.564 1.00 0.00 C ATOM 954 CE2 TYR A 62 -14.331 -5.864 -2.301 1.00 0.00 C ATOM 955 CZ TYR A 62 -13.245 -6.591 -1.739 1.00 0.00 C ATOM 956 OH TYR A 62 -13.095 -6.615 -0.400 1.00 0.00 O ATOM 0 H TYR A 62 -11.538 -6.752 -6.196 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.387 -5.227 -7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.014 -6.504 -6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.653 -7.576 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.909 -7.884 -4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.657 -5.848 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.370 -7.588 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -14.869 -5.131 -1.718 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.748 -5.751 -0.094 1.00 0.00 H new ATOM 966 N MET A 63 -12.866 -4.177 -4.513 1.00 0.00 N ATOM 967 CA MET A 63 -13.040 -3.284 -3.411 1.00 0.00 C ATOM 968 C MET A 63 -13.090 -1.805 -3.705 1.00 0.00 C ATOM 969 O MET A 63 -13.790 -1.037 -3.010 1.00 0.00 O ATOM 970 CB MET A 63 -11.858 -3.546 -2.359 1.00 0.00 C ATOM 971 CG MET A 63 -10.543 -3.702 -3.154 1.00 0.00 C ATOM 972 SD MET A 63 -9.492 -2.172 -3.184 1.00 0.00 S ATOM 973 CE MET A 63 -8.967 -2.214 -4.899 1.00 0.00 C ATOM 0 H MET A 63 -12.233 -4.932 -4.249 1.00 0.00 H new ATOM 0 HA MET A 63 -14.037 -3.516 -3.036 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.783 -2.717 -1.655 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.059 -4.443 -1.774 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.965 -4.519 -2.723 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.782 -3.986 -4.179 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.735 -1.203 -5.233 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.080 -2.840 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.767 -2.625 -5.515 1.00 0.00 H new ATOM 983 N LEU A 64 -12.258 -1.341 -4.675 1.00 0.00 N ATOM 984 CA LEU A 64 -11.882 0.044 -4.882 1.00 0.00 C ATOM 985 C LEU A 64 -13.037 0.989 -4.705 1.00 0.00 C ATOM 986 O LEU A 64 -12.841 2.178 -4.289 1.00 0.00 O ATOM 987 CB LEU A 64 -11.264 0.108 -6.304 1.00 0.00 C ATOM 988 CG LEU A 64 -10.444 1.390 -6.670 1.00 0.00 C ATOM 989 CD1 LEU A 64 -8.930 1.124 -6.715 1.00 0.00 C ATOM 990 CD2 LEU A 64 -11.015 2.032 -7.931 1.00 0.00 C ATOM 0 H LEU A 64 -11.823 -1.967 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.162 0.370 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.612 -0.757 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.072 0.005 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.555 2.124 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.406 2.044 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.593 0.776 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.717 0.363 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.439 2.923 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.960 1.323 -8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.055 2.309 -7.759 1.00 0.00 H new ATOM 1002 N PRO A 65 -14.268 0.577 -5.062 1.00 0.00 N ATOM 1003 CA PRO A 65 -15.528 1.329 -4.852 1.00 0.00 C ATOM 1004 C PRO A 65 -15.915 1.641 -3.348 1.00 0.00 C ATOM 1005 O PRO A 65 -16.223 2.736 -2.959 1.00 0.00 O ATOM 1006 CB PRO A 65 -16.597 0.618 -5.594 1.00 0.00 C ATOM 1007 CG PRO A 65 -15.849 -0.178 -6.695 1.00 0.00 C ATOM 1008 CD PRO A 65 -14.548 -0.593 -5.936 1.00 0.00 C ATOM 0 HA PRO A 65 -15.381 2.336 -5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.160 -0.046 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.311 1.318 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.419 -1.042 -7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.637 0.433 -7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.696 -1.503 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.725 -0.785 -6.625 1.00 0.00 H new ATOM 1016 N GLU A 66 -15.650 0.572 -2.576 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.796 0.507 -1.115 1.00 0.00 C ATOM 1018 C GLU A 66 -14.756 1.301 -0.354 1.00 0.00 C ATOM 1019 O GLU A 66 -15.084 2.068 0.594 1.00 0.00 O ATOM 1020 CB GLU A 66 -15.883 -0.961 -0.619 1.00 0.00 C ATOM 1021 CG GLU A 66 -16.369 -1.038 0.824 1.00 0.00 C ATOM 1022 CD GLU A 66 -17.867 -1.397 0.968 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -18.304 -2.178 0.061 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -18.533 -0.955 1.927 1.00 0.00 O ATOM 0 H GLU A 66 -15.314 -0.306 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.744 0.997 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.560 -1.523 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.903 -1.431 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.776 -1.781 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.188 -0.079 1.309 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.450 1.133 -0.676 1.00 0.00 N ATOM 1032 CA ILE A 67 -12.337 2.023 -0.273 1.00 0.00 C ATOM 1033 C ILE A 67 -12.715 3.486 -0.609 1.00 0.00 C ATOM 1034 O ILE A 67 -12.866 4.332 0.259 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.995 1.591 -0.917 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -10.492 0.226 -0.525 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.915 2.714 -0.740 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -10.877 -0.369 0.806 1.00 0.00 C ATOM 0 H ILE A 67 -13.133 0.347 -1.243 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.182 1.945 0.803 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.206 1.471 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.815 -0.472 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.403 0.260 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.979 2.394 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.260 3.629 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.754 2.900 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.421 -1.354 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.527 0.279 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.961 -0.464 0.862 1.00 0.00 H new ATOM 1050 N GLN A 68 -12.847 3.744 -1.938 1.00 0.00 N ATOM 1051 CA GLN A 68 -13.127 5.038 -2.566 1.00 0.00 C ATOM 1052 C GLN A 68 -14.386 5.689 -1.926 1.00 0.00 C ATOM 1053 O GLN A 68 -14.425 6.924 -1.730 1.00 0.00 O ATOM 1054 CB GLN A 68 -13.348 4.825 -4.061 1.00 0.00 C ATOM 1055 CG GLN A 68 -12.124 4.904 -4.941 1.00 0.00 C ATOM 1056 CD GLN A 68 -10.795 4.765 -4.161 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -10.176 3.721 -3.975 1.00 0.00 O ATOM 1058 NE2 GLN A 68 -10.317 5.919 -3.635 1.00 0.00 N ATOM 0 H GLN A 68 -12.753 3.001 -2.630 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.281 5.708 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.807 3.846 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.067 5.567 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.177 4.119 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.128 5.857 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.821 6.794 -3.782 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.453 5.913 -3.093 1.00 0.00 H new ATOM 1067 N ARG A 69 -15.409 4.878 -1.633 1.00 0.00 N ATOM 1068 CA ARG A 69 -16.737 5.294 -1.120 1.00 0.00 C ATOM 1069 C ARG A 69 -16.660 5.513 0.411 1.00 0.00 C ATOM 1070 O ARG A 69 -17.612 5.974 1.030 1.00 0.00 O ATOM 1071 CB ARG A 69 -17.803 4.252 -1.463 1.00 0.00 C ATOM 1072 CG ARG A 69 -18.025 3.168 -0.427 1.00 0.00 C ATOM 1073 CD ARG A 69 -19.142 3.493 0.561 1.00 0.00 C ATOM 1074 NE ARG A 69 -20.194 2.466 0.484 1.00 0.00 N ATOM 1075 CZ ARG A 69 -21.524 2.651 0.719 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -21.998 3.851 1.148 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -22.403 1.677 0.448 1.00 0.00 N ATOM 0 H ARG A 69 -15.340 3.867 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.021 6.231 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -18.748 4.768 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -17.530 3.777 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -18.260 2.233 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.098 3.007 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -18.741 3.540 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -19.562 4.474 0.338 1.00 0.00 H new ATOM 0 HE ARG A 69 -19.899 1.523 0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -21.356 4.629 1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -22.996 3.973 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -22.079 0.790 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -23.397 1.823 0.626 1.00 0.00 H new ATOM 1091 N LEU A 70 -15.490 5.097 0.988 1.00 0.00 N ATOM 1092 CA LEU A 70 -15.142 5.255 2.414 1.00 0.00 C ATOM 1093 C LEU A 70 -14.170 6.458 2.559 1.00 0.00 C ATOM 1094 O LEU A 70 -14.468 7.372 3.337 1.00 0.00 O ATOM 1095 CB LEU A 70 -14.394 3.959 2.795 1.00 0.00 C ATOM 1096 CG LEU A 70 -14.086 3.695 4.280 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -15.151 4.129 5.281 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -13.561 2.244 4.486 1.00 0.00 C ATOM 0 H LEU A 70 -14.756 4.634 0.452 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.017 5.427 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.979 3.118 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.448 3.952 2.254 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.277 4.381 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.819 3.891 6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.313 5.204 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.083 3.604 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.350 2.080 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.317 1.533 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.648 2.102 3.907 1.00 0.00 H new ATOM 1110 N LEU A 71 -13.014 6.384 1.917 1.00 0.00 N ATOM 1111 CA LEU A 71 -11.851 7.331 2.041 1.00 0.00 C ATOM 1112 C LEU A 71 -11.586 7.904 0.620 1.00 0.00 C ATOM 1113 O LEU A 71 -10.626 7.579 -0.039 1.00 0.00 O ATOM 1114 CB LEU A 71 -10.726 6.322 2.411 1.00 0.00 C ATOM 1115 CG LEU A 71 -9.276 6.629 1.936 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -8.775 8.032 2.442 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -8.280 5.541 2.264 1.00 0.00 C ATOM 0 H LEU A 71 -12.824 5.632 1.254 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.962 8.164 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.708 6.228 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.008 5.348 2.011 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.335 6.662 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.759 8.205 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.431 8.813 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.787 8.051 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.294 5.829 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.241 5.397 3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.586 4.611 1.784 1.00 0.00 H new ATOM 1129 N PRO A 72 -12.544 8.695 0.111 1.00 0.00 N ATOM 1130 CA PRO A 72 -12.743 9.006 -1.331 1.00 0.00 C ATOM 1131 C PRO A 72 -11.502 9.059 -2.262 1.00 0.00 C ATOM 1132 O PRO A 72 -11.301 8.265 -3.169 1.00 0.00 O ATOM 1133 CB PRO A 72 -13.528 10.327 -1.302 1.00 0.00 C ATOM 1134 CG PRO A 72 -14.448 10.144 -0.124 1.00 0.00 C ATOM 1135 CD PRO A 72 -13.745 9.167 0.828 1.00 0.00 C ATOM 0 HA PRO A 72 -13.258 8.170 -1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.870 11.186 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.082 10.488 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.641 11.096 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.413 9.749 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.474 9.659 1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.399 8.334 1.085 1.00 0.00 H new ATOM 1143 N ASN A 73 -10.642 10.038 -1.881 1.00 0.00 N ATOM 1144 CA ASN A 73 -9.673 10.682 -2.785 1.00 0.00 C ATOM 1145 C ASN A 73 -8.289 10.817 -2.181 1.00 0.00 C ATOM 1146 O ASN A 73 -7.555 11.781 -2.402 1.00 0.00 O ATOM 1147 CB ASN A 73 -10.249 11.980 -3.346 1.00 0.00 C ATOM 1148 CG ASN A 73 -9.691 13.277 -2.797 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -9.356 14.249 -3.523 1.00 0.00 O ATOM 1150 ND2 ASN A 73 -9.485 13.367 -1.466 1.00 0.00 N ATOM 0 H ASN A 73 -10.607 10.401 -0.928 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.512 10.020 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.099 11.978 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.325 11.975 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.067 14.209 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.748 12.593 -0.856 1.00 0.00 H new ATOM 1157 N LYS A 74 -7.950 9.827 -1.302 1.00 0.00 N ATOM 1158 CA LYS A 74 -6.502 9.437 -1.113 1.00 0.00 C ATOM 1159 C LYS A 74 -6.029 8.486 -2.198 1.00 0.00 C ATOM 1160 O LYS A 74 -6.839 7.923 -2.969 1.00 0.00 O ATOM 1161 CB LYS A 74 -6.314 8.864 0.289 1.00 0.00 C ATOM 1162 CG LYS A 74 -6.466 9.957 1.360 1.00 0.00 C ATOM 1163 CD LYS A 74 -5.498 9.802 2.563 1.00 0.00 C ATOM 1164 CE LYS A 74 -6.235 10.213 3.844 1.00 0.00 C ATOM 1165 NZ LYS A 74 -5.996 11.636 4.138 1.00 0.00 N ATOM 0 H LYS A 74 -8.616 9.302 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.877 10.325 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.046 8.075 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.328 8.407 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.301 10.930 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.492 9.949 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.153 8.771 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.614 10.424 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.304 10.033 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.896 9.600 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.501 11.900 5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.977 11.797 4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.341 12.217 3.347 1.00 0.00 H new ATOM 1179 N PRO A 75 -4.699 8.303 -2.303 1.00 0.00 N ATOM 1180 CA PRO A 75 -4.002 7.565 -3.378 1.00 0.00 C ATOM 1181 C PRO A 75 -3.903 6.012 -3.268 1.00 0.00 C ATOM 1182 O PRO A 75 -2.834 5.442 -3.289 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.687 8.234 -3.588 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.578 9.321 -2.543 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.678 9.020 -1.498 1.00 0.00 C ATOM 0 HA PRO A 75 -4.639 7.629 -4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.870 7.520 -3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.623 8.655 -4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.591 9.321 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.721 10.306 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.303 8.406 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.078 9.932 -1.055 1.00 0.00 H new ATOM 1193 N VAL A 76 -5.134 5.425 -3.339 1.00 0.00 N ATOM 1194 CA VAL A 76 -5.347 3.960 -3.273 1.00 0.00 C ATOM 1195 C VAL A 76 -5.041 3.360 -4.667 1.00 0.00 C ATOM 1196 O VAL A 76 -5.462 3.920 -5.715 1.00 0.00 O ATOM 1197 CB VAL A 76 -6.742 3.670 -2.739 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -6.999 2.151 -2.439 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -7.239 4.534 -1.618 1.00 0.00 C ATOM 0 H VAL A 76 -5.998 5.957 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.668 3.475 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.354 3.962 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.013 2.021 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.876 1.573 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.287 1.802 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.244 4.220 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.573 4.437 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.262 5.574 -1.943 1.00 0.00 H new ATOM 1209 N GLU A 77 -4.274 2.273 -4.702 1.00 0.00 N ATOM 1210 CA GLU A 77 -4.067 1.388 -5.874 1.00 0.00 C ATOM 1211 C GLU A 77 -3.983 -0.089 -5.468 1.00 0.00 C ATOM 1212 O GLU A 77 -3.260 -0.479 -4.534 1.00 0.00 O ATOM 1213 CB GLU A 77 -2.842 1.820 -6.671 1.00 0.00 C ATOM 1214 CG GLU A 77 -3.127 2.834 -7.764 1.00 0.00 C ATOM 1215 CD GLU A 77 -3.025 2.317 -9.209 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -3.548 1.210 -9.464 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -2.415 3.046 -10.057 1.00 0.00 O ATOM 0 H GLU A 77 -3.751 1.960 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.940 1.488 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.108 2.242 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.388 0.938 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.131 3.230 -7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.434 3.668 -7.648 1.00 0.00 H new ATOM 1224 N VAL A 78 -4.812 -0.941 -6.149 1.00 0.00 N ATOM 1225 CA VAL A 78 -4.618 -2.436 -6.131 1.00 0.00 C ATOM 1226 C VAL A 78 -3.143 -2.727 -6.360 1.00 0.00 C ATOM 1227 O VAL A 78 -2.452 -1.920 -7.047 1.00 0.00 O ATOM 1228 CB VAL A 78 -5.614 -3.083 -7.104 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -5.813 -4.611 -6.878 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -6.972 -2.348 -7.150 1.00 0.00 C ATOM 0 H VAL A 78 -5.607 -0.630 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.851 -2.894 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.146 -2.973 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.530 -4.996 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.860 -5.124 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.189 -4.784 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.634 -2.851 -7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.424 -2.356 -6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.817 -1.317 -7.470 1.00 0.00 H new ATOM 1240 N ILE A 79 -2.610 -3.817 -5.808 1.00 0.00 N ATOM 1241 CA ILE A 79 -1.249 -4.367 -6.018 1.00 0.00 C ATOM 1242 C ILE A 79 -1.275 -5.431 -7.153 1.00 0.00 C ATOM 1243 O ILE A 79 -2.348 -5.878 -7.560 1.00 0.00 O ATOM 1244 CB ILE A 79 -0.587 -4.862 -4.708 1.00 0.00 C ATOM 1245 CG1 ILE A 79 -0.671 -3.834 -3.581 1.00 0.00 C ATOM 1246 CG2 ILE A 79 0.792 -5.492 -4.882 1.00 0.00 C ATOM 1247 CD1 ILE A 79 -0.190 -4.328 -2.205 1.00 0.00 C ATOM 0 H ILE A 79 -3.147 -4.387 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.599 -3.557 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.199 -5.704 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.081 -2.961 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.706 -3.503 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.173 -5.807 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.716 -6.358 -5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.473 -4.762 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.290 -3.525 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.794 -5.180 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.855 -4.630 -2.272 1.00 0.00 H new ATOM 1259 N ASP A 80 -0.073 -5.800 -7.601 1.00 0.00 N ATOM 1260 CA ASP A 80 0.284 -6.969 -8.420 1.00 0.00 C ATOM 1261 C ASP A 80 0.606 -8.198 -7.487 1.00 0.00 C ATOM 1262 O ASP A 80 0.672 -8.034 -6.290 1.00 0.00 O ATOM 1263 CB ASP A 80 1.532 -6.670 -9.266 1.00 0.00 C ATOM 1264 CG ASP A 80 1.201 -6.279 -10.729 1.00 0.00 C ATOM 1265 OD1 ASP A 80 1.054 -7.211 -11.557 1.00 0.00 O ATOM 1266 OD2 ASP A 80 1.143 -5.042 -10.996 1.00 0.00 O ATOM 0 H ASP A 80 0.751 -5.241 -7.382 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.559 -7.197 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.094 -5.861 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.179 -7.547 -9.269 1.00 0.00 H new ATOM 1271 N SER A 81 0.508 -9.384 -8.126 1.00 0.00 N ATOM 1272 CA SER A 81 0.253 -10.681 -7.443 1.00 0.00 C ATOM 1273 C SER A 81 1.531 -11.555 -7.483 1.00 0.00 C ATOM 1274 O SER A 81 1.658 -12.541 -6.751 1.00 0.00 O ATOM 1275 CB SER A 81 -0.848 -11.389 -8.330 1.00 0.00 C ATOM 1276 OG SER A 81 -0.908 -12.764 -7.985 1.00 0.00 O ATOM 0 H SER A 81 0.604 -9.474 -9.138 1.00 0.00 H new ATOM 0 HA SER A 81 -0.045 -10.542 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.818 -10.919 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.609 -11.277 -9.387 1.00 0.00 H new ATOM 0 HG SER A 81 -1.590 -13.209 -8.530 1.00 0.00 H new ATOM 1282 N LEU A 82 2.480 -11.156 -8.350 1.00 0.00 N ATOM 1283 CA LEU A 82 3.813 -11.704 -8.562 1.00 0.00 C ATOM 1284 C LEU A 82 4.873 -10.816 -7.905 1.00 0.00 C ATOM 1285 O LEU A 82 5.894 -11.321 -7.428 1.00 0.00 O ATOM 1286 CB LEU A 82 3.997 -11.726 -10.121 1.00 0.00 C ATOM 1287 CG LEU A 82 3.448 -12.968 -10.853 1.00 0.00 C ATOM 1288 CD1 LEU A 82 2.186 -12.723 -11.663 1.00 0.00 C ATOM 1289 CD2 LEU A 82 4.514 -13.815 -11.527 1.00 0.00 C ATOM 0 H LEU A 82 2.307 -10.367 -8.973 1.00 0.00 H new ATOM 0 HA LEU A 82 3.924 -12.695 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.513 -10.842 -10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.061 -11.640 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 82 3.087 -13.617 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.875 -13.652 -12.141 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.393 -12.371 -11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.384 -11.970 -12.426 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.045 -14.667 -12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.041 -13.214 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.222 -14.172 -10.779 1.00 0.00 H new ATOM 1301 N LEU A 83 4.662 -9.480 -7.913 1.00 0.00 N ATOM 1302 CA LEU A 83 5.421 -8.455 -7.163 1.00 0.00 C ATOM 1303 C LEU A 83 5.023 -8.607 -5.654 1.00 0.00 C ATOM 1304 O LEU A 83 5.844 -8.446 -4.793 1.00 0.00 O ATOM 1305 CB LEU A 83 4.840 -7.090 -7.644 1.00 0.00 C ATOM 1306 CG LEU A 83 5.025 -6.661 -9.114 1.00 0.00 C ATOM 1307 CD1 LEU A 83 4.907 -5.143 -9.381 1.00 0.00 C ATOM 1308 CD2 LEU A 83 6.269 -7.321 -9.744 1.00 0.00 C ATOM 0 H LEU A 83 3.917 -9.066 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 83 6.499 -8.536 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.769 -7.100 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.277 -6.311 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 83 4.157 -7.054 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.053 -4.948 -10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.918 -4.797 -9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.667 -4.612 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.368 -6.996 -10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.158 -7.029 -9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.161 -8.405 -9.713 1.00 0.00 H new ATOM 1320 N TYR A 84 3.727 -8.824 -5.437 1.00 0.00 N ATOM 1321 CA TYR A 84 3.107 -9.288 -4.161 1.00 0.00 C ATOM 1322 C TYR A 84 3.859 -10.475 -3.605 1.00 0.00 C ATOM 1323 O TYR A 84 4.858 -10.329 -2.817 1.00 0.00 O ATOM 1324 CB TYR A 84 1.622 -9.507 -4.375 1.00 0.00 C ATOM 1325 CG TYR A 84 0.628 -9.352 -3.238 1.00 0.00 C ATOM 1326 CD1 TYR A 84 0.678 -8.241 -2.381 1.00 0.00 C ATOM 1327 CD2 TYR A 84 -0.339 -10.355 -3.084 1.00 0.00 C ATOM 1328 CE1 TYR A 84 -0.088 -8.255 -1.199 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -1.153 -10.333 -1.915 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.989 -9.299 -0.992 1.00 0.00 C ATOM 1331 OH TYR A 84 -1.758 -9.299 0.126 1.00 0.00 O ATOM 0 H TYR A 84 3.033 -8.679 -6.170 1.00 0.00 H new ATOM 0 HA TYR A 84 3.189 -8.525 -3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.311 -8.823 -5.164 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.503 -10.518 -4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.295 -7.388 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.464 -11.124 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.021 -7.470 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.887 -11.106 -1.745 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.676 -9.049 -0.109 1.00 0.00 H new ATOM 1341 N GLY A 85 3.454 -11.701 -3.982 1.00 0.00 N ATOM 1342 CA GLY A 85 3.922 -12.957 -3.358 1.00 0.00 C ATOM 1343 C GLY A 85 5.379 -13.274 -3.638 1.00 0.00 C ATOM 1344 O GLY A 85 5.904 -14.293 -3.108 1.00 0.00 O ATOM 0 H GLY A 85 2.785 -11.852 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.774 -12.893 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.305 -13.781 -3.716 1.00 0.00 H new ATOM 1348 N LYS A 86 6.048 -12.475 -4.481 1.00 0.00 N ATOM 1349 CA LYS A 86 7.511 -12.548 -4.733 1.00 0.00 C ATOM 1350 C LYS A 86 8.251 -11.305 -4.191 1.00 0.00 C ATOM 1351 O LYS A 86 9.441 -11.117 -4.378 1.00 0.00 O ATOM 1352 CB LYS A 86 7.825 -12.823 -6.195 1.00 0.00 C ATOM 1353 CG LYS A 86 6.735 -13.701 -6.839 1.00 0.00 C ATOM 1354 CD LYS A 86 7.266 -14.853 -7.702 1.00 0.00 C ATOM 1355 CE LYS A 86 6.136 -15.891 -7.901 1.00 0.00 C ATOM 1356 NZ LYS A 86 5.300 -15.527 -9.064 1.00 0.00 N ATOM 0 H LYS A 86 5.587 -11.743 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 86 7.890 -13.403 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.905 -11.881 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.792 -13.320 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.108 -14.116 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.095 -13.069 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.606 -14.476 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.126 -15.319 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.566 -16.882 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.519 -15.943 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.356 -15.951 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.211 -14.492 -9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.744 -15.881 -9.935 1.00 0.00 H new ATOM 1370 N VAL A 87 7.454 -10.436 -3.497 1.00 0.00 N ATOM 1371 CA VAL A 87 7.952 -9.507 -2.466 1.00 0.00 C ATOM 1372 C VAL A 87 9.056 -8.629 -3.044 1.00 0.00 C ATOM 1373 O VAL A 87 10.268 -8.809 -2.780 1.00 0.00 O ATOM 1374 CB VAL A 87 8.331 -10.294 -1.189 1.00 0.00 C ATOM 1375 CG1 VAL A 87 7.137 -11.118 -0.609 1.00 0.00 C ATOM 1376 CG2 VAL A 87 9.555 -11.185 -1.355 1.00 0.00 C ATOM 0 H VAL A 87 6.447 -10.370 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 87 7.172 -8.812 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 87 8.594 -9.521 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.462 -11.649 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.319 -10.444 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.795 -11.837 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.757 -11.703 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.369 -11.916 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.416 -10.574 -1.625 1.00 0.00 H new ATOM 1386 N ASP A 88 8.683 -7.692 -3.951 1.00 0.00 N ATOM 1387 CA ASP A 88 9.433 -6.619 -4.556 1.00 0.00 C ATOM 1388 C ASP A 88 9.149 -5.240 -3.973 1.00 0.00 C ATOM 1389 O ASP A 88 8.372 -4.437 -4.545 1.00 0.00 O ATOM 1390 CB ASP A 88 9.298 -6.628 -6.086 1.00 0.00 C ATOM 1391 CG ASP A 88 7.926 -6.271 -6.645 1.00 0.00 C ATOM 1392 OD1 ASP A 88 6.913 -6.522 -5.955 1.00 0.00 O ATOM 1393 OD2 ASP A 88 7.892 -5.750 -7.817 1.00 0.00 O ATOM 0 H ASP A 88 7.726 -7.692 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 88 10.473 -6.822 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.027 -5.930 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.567 -7.621 -6.447 1.00 0.00 H new ATOM 1398 N GLY A 89 9.623 -5.022 -2.739 1.00 0.00 N ATOM 1399 CA GLY A 89 9.485 -3.771 -1.947 1.00 0.00 C ATOM 1400 C GLY A 89 9.951 -2.525 -2.667 1.00 0.00 C ATOM 1401 O GLY A 89 9.278 -1.463 -2.646 1.00 0.00 O ATOM 0 H GLY A 89 10.139 -5.741 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.439 -3.645 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.052 -3.876 -1.022 1.00 0.00 H new ATOM 1405 N LEU A 90 11.157 -2.599 -3.310 1.00 0.00 N ATOM 1406 CA LEU A 90 11.683 -1.662 -4.309 1.00 0.00 C ATOM 1407 C LEU A 90 10.554 -1.179 -5.216 1.00 0.00 C ATOM 1408 O LEU A 90 10.145 -0.011 -5.168 1.00 0.00 O ATOM 1409 CB LEU A 90 12.721 -2.491 -5.142 1.00 0.00 C ATOM 1410 CG LEU A 90 14.179 -2.464 -4.703 1.00 0.00 C ATOM 1411 CD1 LEU A 90 15.070 -3.557 -5.341 1.00 0.00 C ATOM 1412 CD2 LEU A 90 14.812 -1.059 -4.840 1.00 0.00 C ATOM 0 H LEU A 90 11.809 -3.360 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 90 12.134 -0.782 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.393 -3.530 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.677 -2.141 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 90 14.142 -2.712 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.090 -3.458 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.682 -4.541 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.067 -3.442 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.851 -1.095 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.769 -0.741 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.262 -0.350 -4.221 1.00 0.00 H new ATOM 1424 N GLY A 91 10.070 -2.057 -6.138 1.00 0.00 N ATOM 1425 CA GLY A 91 8.937 -1.753 -7.046 1.00 0.00 C ATOM 1426 C GLY A 91 7.678 -1.283 -6.330 1.00 0.00 C ATOM 1427 O GLY A 91 6.818 -0.591 -6.912 1.00 0.00 O ATOM 0 H GLY A 91 10.456 -2.992 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.248 -0.985 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.701 -2.645 -7.627 1.00 0.00 H new ATOM 1431 N VAL A 92 7.530 -1.679 -5.037 1.00 0.00 N ATOM 1432 CA VAL A 92 6.323 -1.512 -4.225 1.00 0.00 C ATOM 1433 C VAL A 92 6.325 -0.128 -3.544 1.00 0.00 C ATOM 1434 O VAL A 92 5.286 0.470 -3.297 1.00 0.00 O ATOM 1435 CB VAL A 92 6.134 -2.716 -3.270 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.076 -2.500 -2.165 1.00 0.00 C ATOM 1437 CG2 VAL A 92 5.782 -4.033 -4.053 1.00 0.00 C ATOM 0 H VAL A 92 8.283 -2.139 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 92 5.437 -1.519 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 92 7.102 -2.814 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.011 -3.393 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.363 -1.649 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.106 -2.305 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.658 -4.854 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.856 -3.889 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.588 -4.270 -4.747 1.00 0.00 H new ATOM 1447 N LEU A 93 7.555 0.343 -3.200 1.00 0.00 N ATOM 1448 CA LEU A 93 7.826 1.717 -2.789 1.00 0.00 C ATOM 1449 C LEU A 93 7.572 2.679 -3.973 1.00 0.00 C ATOM 1450 O LEU A 93 6.845 3.642 -3.824 1.00 0.00 O ATOM 1451 CB LEU A 93 9.283 1.787 -2.354 1.00 0.00 C ATOM 1452 CG LEU A 93 9.813 3.186 -1.871 1.00 0.00 C ATOM 1453 CD1 LEU A 93 8.732 3.969 -1.092 1.00 0.00 C ATOM 1454 CD2 LEU A 93 11.100 2.979 -1.029 1.00 0.00 C ATOM 0 H LEU A 93 8.389 -0.245 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 93 7.172 2.012 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.431 1.070 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.903 1.459 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 93 10.057 3.794 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.137 4.930 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.867 4.133 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.429 3.396 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.473 3.946 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.873 2.355 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.860 2.491 -1.639 1.00 0.00 H new ATOM 1466 N LYS A 94 8.272 2.452 -5.114 1.00 0.00 N ATOM 1467 CA LYS A 94 8.246 3.308 -6.297 1.00 0.00 C ATOM 1468 C LYS A 94 6.970 3.167 -7.118 1.00 0.00 C ATOM 1469 O LYS A 94 6.684 3.970 -8.016 1.00 0.00 O ATOM 1470 CB LYS A 94 9.498 3.141 -7.174 1.00 0.00 C ATOM 1471 CG LYS A 94 10.062 4.486 -7.634 1.00 0.00 C ATOM 1472 CD LYS A 94 11.258 4.374 -8.611 1.00 0.00 C ATOM 1473 CE LYS A 94 12.524 3.999 -7.813 1.00 0.00 C ATOM 1474 NZ LYS A 94 13.675 3.909 -8.727 1.00 0.00 N ATOM 0 H LYS A 94 8.883 1.643 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 94 8.253 4.327 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.262 2.600 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.251 2.535 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.267 5.055 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.375 5.054 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.054 3.619 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.408 5.319 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.716 4.746 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.376 3.047 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.528 3.656 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.491 3.180 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.820 4.827 -9.194 1.00 0.00 H new ATOM 1488 N ALA A 95 6.206 2.093 -6.829 1.00 0.00 N ATOM 1489 CA ALA A 95 4.774 1.984 -7.126 1.00 0.00 C ATOM 1490 C ALA A 95 3.937 3.017 -6.352 1.00 0.00 C ATOM 1491 O ALA A 95 3.102 3.740 -6.933 1.00 0.00 O ATOM 1492 CB ALA A 95 4.254 0.565 -6.860 1.00 0.00 C ATOM 0 H ALA A 95 6.582 1.262 -6.372 1.00 0.00 H new ATOM 0 HA ALA A 95 4.661 2.200 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.190 0.518 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.793 -0.144 -7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.410 0.311 -5.812 1.00 0.00 H new ATOM 1498 N ALA A 96 4.163 3.078 -5.029 1.00 0.00 N ATOM 1499 CA ALA A 96 3.447 3.978 -4.086 1.00 0.00 C ATOM 1500 C ALA A 96 3.745 5.450 -4.444 1.00 0.00 C ATOM 1501 O ALA A 96 2.860 6.298 -4.486 1.00 0.00 O ATOM 1502 CB ALA A 96 3.923 3.714 -2.652 1.00 0.00 C ATOM 0 H ALA A 96 4.861 2.495 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 96 2.377 3.787 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.395 4.376 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.718 2.677 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.995 3.901 -2.584 1.00 0.00 H new ATOM 1508 N VAL A 97 5.039 5.716 -4.700 1.00 0.00 N ATOM 1509 CA VAL A 97 5.592 7.042 -5.093 1.00 0.00 C ATOM 1510 C VAL A 97 4.788 7.581 -6.308 1.00 0.00 C ATOM 1511 O VAL A 97 4.241 8.705 -6.284 1.00 0.00 O ATOM 1512 CB VAL A 97 7.099 6.864 -5.381 1.00 0.00 C ATOM 1513 CG1 VAL A 97 7.875 6.032 -4.302 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.422 6.346 -6.814 1.00 0.00 C ATOM 0 H VAL A 97 5.759 4.996 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 97 5.494 7.783 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 97 7.473 7.886 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.925 5.958 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.794 6.527 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.446 5.032 -4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.501 6.250 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.952 5.374 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.038 7.052 -7.551 1.00 0.00 H new ATOM 1524 N ALA A 98 4.777 6.789 -7.378 1.00 0.00 N ATOM 1525 CA ALA A 98 4.212 7.127 -8.705 1.00 0.00 C ATOM 1526 C ALA A 98 2.716 7.512 -8.579 1.00 0.00 C ATOM 1527 O ALA A 98 2.167 8.257 -9.310 1.00 0.00 O ATOM 1528 CB ALA A 98 4.355 5.939 -9.664 1.00 0.00 C ATOM 0 H ALA A 98 5.176 5.851 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 98 4.765 7.978 -9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.935 6.203 -10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.410 5.690 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.822 5.079 -9.260 1.00 0.00 H new ATOM 1534 N ALA A 99 2.078 6.863 -7.544 1.00 0.00 N ATOM 1535 CA ALA A 99 0.728 7.251 -7.085 1.00 0.00 C ATOM 1536 C ALA A 99 0.721 8.648 -6.433 1.00 0.00 C ATOM 1537 O ALA A 99 0.001 9.546 -6.819 1.00 0.00 O ATOM 1538 CB ALA A 99 0.184 6.197 -6.106 1.00 0.00 C ATOM 0 H ALA A 99 2.485 6.082 -7.030 1.00 0.00 H new ATOM 0 HA ALA A 99 0.079 7.300 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.811 6.490 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.129 5.230 -6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.848 6.123 -5.245 1.00 0.00 H new ATOM 1544 N ILE A 100 1.555 8.789 -5.355 1.00 0.00 N ATOM 1545 CA ILE A 100 1.750 10.025 -4.560 1.00 0.00 C ATOM 1546 C ILE A 100 1.643 11.253 -5.472 1.00 0.00 C ATOM 1547 O ILE A 100 0.814 12.160 -5.270 1.00 0.00 O ATOM 1548 CB ILE A 100 3.100 9.963 -3.782 1.00 0.00 C ATOM 1549 CG1 ILE A 100 2.844 9.924 -2.255 1.00 0.00 C ATOM 1550 CG2 ILE A 100 4.110 11.020 -4.203 1.00 0.00 C ATOM 1551 CD1 ILE A 100 2.212 11.203 -1.661 1.00 0.00 C ATOM 0 H ILE A 100 2.124 8.015 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 100 0.963 10.111 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 100 3.585 9.027 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.192 9.079 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.791 9.737 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.021 10.908 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.344 10.899 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.690 12.012 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.073 11.075 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.870 12.053 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.246 11.384 -2.133 1.00 0.00 H new ATOM 1563 N LYS A 101 2.504 11.264 -6.510 1.00 0.00 N ATOM 1564 CA LYS A 101 2.642 12.373 -7.467 1.00 0.00 C ATOM 1565 C LYS A 101 1.554 12.327 -8.578 1.00 0.00 C ATOM 1566 O LYS A 101 1.417 13.259 -9.345 1.00 0.00 O ATOM 1567 CB LYS A 101 4.016 12.396 -8.094 1.00 0.00 C ATOM 1568 CG LYS A 101 4.764 13.714 -7.838 1.00 0.00 C ATOM 1569 CD LYS A 101 6.079 13.890 -8.597 1.00 0.00 C ATOM 1570 CE LYS A 101 6.569 15.346 -8.432 1.00 0.00 C ATOM 1571 NZ LYS A 101 7.889 15.538 -9.048 1.00 0.00 N ATOM 0 H LYS A 101 3.133 10.486 -6.707 1.00 0.00 H new ATOM 0 HA LYS A 101 2.503 13.290 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.604 11.567 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 101 3.923 12.239 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.103 14.541 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.969 13.792 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.828 13.196 -8.216 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.937 13.659 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.850 16.028 -8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.620 15.597 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.191 16.525 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.578 14.904 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.833 15.321 -10.064 1.00 0.00 H new ATOM 1585 N LYS A 102 0.887 11.150 -8.655 1.00 0.00 N ATOM 1586 CA LYS A 102 -0.367 11.017 -9.461 1.00 0.00 C ATOM 1587 C LYS A 102 -1.625 11.336 -8.630 1.00 0.00 C ATOM 1588 O LYS A 102 -2.755 11.095 -9.074 1.00 0.00 O ATOM 1589 CB LYS A 102 -0.468 9.618 -10.073 1.00 0.00 C ATOM 1590 CG LYS A 102 -1.765 9.432 -10.854 1.00 0.00 C ATOM 1591 CD LYS A 102 -2.854 8.617 -10.129 1.00 0.00 C ATOM 1592 CE LYS A 102 -3.897 8.192 -11.190 1.00 0.00 C ATOM 1593 NZ LYS A 102 -5.033 7.510 -10.531 1.00 0.00 N ATOM 0 H LYS A 102 1.181 10.294 -8.184 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.314 11.751 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.382 9.449 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.410 8.870 -9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.169 10.415 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.534 8.941 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.420 7.742 -9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.323 9.214 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.252 9.067 -11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.436 7.527 -11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.731 7.226 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.688 6.666 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.479 8.158 -9.851 1.00 0.00 H new ATOM 1607 N ALA A 103 -1.381 11.845 -7.400 1.00 0.00 N ATOM 1608 CA ALA A 103 -2.418 12.198 -6.410 1.00 0.00 C ATOM 1609 C ALA A 103 -2.753 13.695 -6.459 1.00 0.00 C ATOM 1610 O ALA A 103 -3.926 14.102 -6.347 1.00 0.00 O ATOM 1611 CB ALA A 103 -1.992 11.789 -5.001 1.00 0.00 C ATOM 0 H ALA A 103 -0.435 12.025 -7.063 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.320 11.644 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.774 12.060 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.830 10.712 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.068 12.303 -4.737 1.00 0.00 H new ATOM 1617 N ALA A 104 -1.711 14.545 -6.519 1.00 0.00 N ATOM 1618 CA ALA A 104 -1.770 15.998 -6.636 1.00 0.00 C ATOM 1619 C ALA A 104 -0.666 16.578 -7.541 1.00 0.00 C ATOM 1620 O ALA A 104 0.501 16.678 -7.138 1.00 0.00 O ATOM 1621 CB ALA A 104 -1.742 16.697 -5.265 1.00 0.00 C ATOM 0 H ALA A 104 -0.750 14.206 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.730 16.203 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.788 17.777 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.598 16.372 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.821 16.438 -4.743 1.00 0.00 H new ATOM 1627 N ALA A 105 -1.043 16.940 -8.789 1.00 0.00 N ATOM 1628 CA ALA A 105 -0.156 17.505 -9.812 1.00 0.00 C ATOM 1629 C ALA A 105 -0.720 17.323 -11.233 1.00 0.00 C ATOM 1630 O ALA A 105 -1.897 16.987 -11.419 1.00 0.00 O ATOM 1631 CB ALA A 105 1.252 16.876 -9.719 1.00 0.00 C ATOM 0 H ALA A 105 -2.005 16.841 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 105 -0.086 18.575 -9.617 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.895 17.308 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.676 17.077 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.180 15.799 -9.870 1.00 0.00 H new ATOM 1637 N ASN A 106 0.137 17.607 -12.251 1.00 0.00 N ATOM 1638 CA ASN A 106 -0.146 17.409 -13.698 1.00 0.00 C ATOM 1639 C ASN A 106 -0.767 16.017 -13.931 1.00 0.00 C ATOM 1640 O ASN A 106 -0.677 15.133 -13.066 1.00 0.00 O ATOM 1641 CB ASN A 106 1.114 17.627 -14.525 1.00 0.00 C ATOM 1642 CG ASN A 106 1.907 18.906 -14.140 1.00 0.00 C ATOM 1643 OD1 ASN A 106 1.691 19.597 -13.144 1.00 0.00 O ATOM 1644 ND2 ASN A 106 2.891 19.275 -15.000 1.00 0.00 N ATOM 0 H ASN A 106 1.067 17.990 -12.083 1.00 0.00 H new ATOM 0 HA ASN A 106 -0.874 18.150 -14.028 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.765 16.760 -14.412 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.840 17.685 -15.578 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.440 20.115 -14.817 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.081 18.712 -15.829 1.00 0.00 H new TER 1651 ASN A 106