USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 404 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 Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -63:sc= -1.67 USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= -0.0684 (180deg=-0.608) USER MOD Single : A 44 THR OG1 : rot 10:sc= 0.501 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -178:sc= -1.05 (180deg=-1.07) USER MOD Single : A 49 THR OG1 : rot -161:sc= -4.08! USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.0238 (180deg=-0.207) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N LEU A 18 -5.979 4.800 7.864 1.00 0.00 N ATOM 9 CA LEU A 18 -5.275 3.915 6.944 1.00 0.00 C ATOM 10 C LEU A 18 -5.902 3.967 5.552 1.00 0.00 C ATOM 11 O LEU A 18 -6.633 3.044 5.147 1.00 0.00 O ATOM 12 CB LEU A 18 -5.294 2.484 7.478 1.00 0.00 C ATOM 13 CG LEU A 18 -4.381 2.231 8.681 1.00 0.00 C ATOM 14 CD1 LEU A 18 -5.199 2.105 9.958 1.00 0.00 C ATOM 15 CD2 LEU A 18 -3.537 0.984 8.464 1.00 0.00 C ATOM 0 HA LEU A 18 -4.242 4.252 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.317 2.230 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.006 1.808 6.673 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.711 3.084 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.532 1.925 10.801 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.756 3.027 10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.896 1.272 9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.896 0.823 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.190 0.121 8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.920 1.113 7.575 1.00 0.00 H new ATOM 27 N MET A 19 -5.579 5.033 4.811 1.00 0.00 N ATOM 28 CA MET A 19 -6.086 5.207 3.450 1.00 0.00 C ATOM 29 C MET A 19 -4.982 4.842 2.492 1.00 0.00 C ATOM 30 O MET A 19 -3.856 5.327 2.641 1.00 0.00 O ATOM 31 CB MET A 19 -6.541 6.649 3.218 1.00 0.00 C ATOM 32 CG MET A 19 -7.437 7.189 4.321 1.00 0.00 C ATOM 33 SD MET A 19 -7.121 8.926 4.687 1.00 0.00 S ATOM 34 CE MET A 19 -8.771 9.494 5.086 1.00 0.00 C ATOM 0 H MET A 19 -4.970 5.785 5.132 1.00 0.00 H new ATOM 0 HA MET A 19 -6.951 4.564 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.663 7.288 3.129 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.074 6.705 2.269 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.480 7.068 4.028 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.289 6.599 5.225 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.740 10.555 5.335 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.426 9.342 4.228 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.153 8.932 5.938 1.00 0.00 H new ATOM 44 N VAL A 20 -5.242 3.953 1.551 1.00 0.00 N ATOM 45 CA VAL A 20 -4.183 3.524 0.664 1.00 0.00 C ATOM 46 C VAL A 20 -4.642 3.292 -0.761 1.00 0.00 C ATOM 47 O VAL A 20 -5.838 3.273 -1.057 1.00 0.00 O ATOM 48 CB VAL A 20 -3.606 2.203 1.201 1.00 0.00 C ATOM 49 CG1 VAL A 20 -3.213 2.350 2.659 1.00 0.00 C ATOM 50 CG2 VAL A 20 -4.611 1.068 1.048 1.00 0.00 C ATOM 0 H VAL A 20 -6.153 3.525 1.385 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.444 4.325 0.640 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.719 1.962 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.807 1.406 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.459 3.131 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.091 2.618 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.179 0.145 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.517 1.306 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.857 0.939 -0.006 1.00 0.00 H new ATOM 60 N GLU A 21 -3.680 2.997 -1.616 1.00 0.00 N ATOM 61 CA GLU A 21 -3.960 2.614 -2.991 1.00 0.00 C ATOM 62 C GLU A 21 -3.335 1.242 -3.121 1.00 0.00 C ATOM 63 O GLU A 21 -2.143 1.090 -2.846 1.00 0.00 O ATOM 64 CB GLU A 21 -3.353 3.602 -3.995 1.00 0.00 C ATOM 65 CG GLU A 21 -3.103 3.014 -5.376 1.00 0.00 C ATOM 66 CD GLU A 21 -4.387 2.657 -6.100 1.00 0.00 C ATOM 67 OE1 GLU A 21 -5.167 1.847 -5.559 1.00 0.00 O ATOM 68 OE2 GLU A 21 -4.612 3.190 -7.207 1.00 0.00 O ATOM 0 H GLU A 21 -2.688 3.015 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.028 2.613 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.020 4.459 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.410 3.975 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.540 3.730 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.484 2.122 -5.280 1.00 0.00 H new ATOM 75 N VAL A 22 -4.111 0.226 -3.461 1.00 0.00 N ATOM 76 CA VAL A 22 -3.538 -1.110 -3.486 1.00 0.00 C ATOM 77 C VAL A 22 -3.815 -1.931 -4.723 1.00 0.00 C ATOM 78 O VAL A 22 -4.927 -1.961 -5.251 1.00 0.00 O ATOM 79 CB VAL A 22 -4.047 -1.915 -2.282 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.354 -3.268 -2.198 1.00 0.00 C ATOM 81 CG2 VAL A 22 -3.848 -1.121 -1.003 1.00 0.00 C ATOM 0 H VAL A 22 -5.097 0.292 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.463 -0.934 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.113 -2.099 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.733 -3.818 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.553 -3.836 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.279 -3.120 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.212 -1.700 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.788 -0.908 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.401 -0.184 -1.067 1.00 0.00 H new ATOM 91 N VAL A 23 -2.795 -2.697 -5.095 1.00 0.00 N ATOM 92 CA VAL A 23 -2.912 -3.643 -6.170 1.00 0.00 C ATOM 93 C VAL A 23 -2.529 -5.015 -5.612 1.00 0.00 C ATOM 94 O VAL A 23 -1.392 -5.254 -5.198 1.00 0.00 O ATOM 95 CB VAL A 23 -1.995 -3.290 -7.356 1.00 0.00 C ATOM 96 CG1 VAL A 23 -2.232 -4.241 -8.518 1.00 0.00 C ATOM 97 CG2 VAL A 23 -2.212 -1.846 -7.785 1.00 0.00 C ATOM 0 H VAL A 23 -1.875 -2.671 -4.656 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.934 -3.633 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.959 -3.399 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.575 -3.975 -9.346 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.021 -5.262 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.270 -4.169 -8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.556 -1.613 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.250 -1.708 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.985 -1.181 -6.952 1.00 0.00 H new ATOM 107 N GLU A 24 -3.487 -5.914 -5.650 1.00 0.00 N ATOM 108 CA GLU A 24 -3.324 -7.268 -5.183 1.00 0.00 C ATOM 109 C GLU A 24 -4.193 -8.209 -6.003 1.00 0.00 C ATOM 110 O GLU A 24 -4.966 -7.781 -6.880 1.00 0.00 O ATOM 111 CB GLU A 24 -3.685 -7.374 -3.698 1.00 0.00 C ATOM 112 CG GLU A 24 -4.932 -6.589 -3.311 1.00 0.00 C ATOM 113 CD GLU A 24 -6.061 -7.480 -2.829 1.00 0.00 C ATOM 114 OE1 GLU A 24 -5.793 -8.651 -2.490 1.00 0.00 O ATOM 115 OE2 GLU A 24 -7.215 -7.003 -2.788 1.00 0.00 O ATOM 0 H GLU A 24 -4.419 -5.718 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.279 -7.553 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.834 -8.423 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.844 -7.018 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.678 -5.876 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.273 -6.011 -4.170 1.00 0.00 H new ATOM 122 N SER A 25 -4.041 -9.497 -5.736 1.00 0.00 N ATOM 123 CA SER A 25 -4.781 -10.527 -6.444 1.00 0.00 C ATOM 124 C SER A 25 -5.026 -10.162 -7.916 1.00 0.00 C ATOM 125 O SER A 25 -6.102 -10.426 -8.442 1.00 0.00 O ATOM 126 CB SER A 25 -6.118 -10.781 -5.741 1.00 0.00 C ATOM 127 OG SER A 25 -6.178 -10.109 -4.490 1.00 0.00 O ATOM 0 H SER A 25 -3.403 -9.855 -5.025 1.00 0.00 H new ATOM 0 HA SER A 25 -4.175 -11.433 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.936 -10.444 -6.377 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.254 -11.852 -5.588 1.00 0.00 H new ATOM 0 HG SER A 25 -5.486 -10.465 -3.894 1.00 0.00 H new ATOM 205 N VAL A 31 -7.963 -7.455 -7.900 1.00 0.00 N ATOM 206 CA VAL A 31 -8.444 -6.534 -6.873 1.00 0.00 C ATOM 207 C VAL A 31 -7.460 -5.389 -6.717 1.00 0.00 C ATOM 208 O VAL A 31 -6.664 -5.359 -5.756 1.00 0.00 O ATOM 209 CB VAL A 31 -8.610 -7.222 -5.502 1.00 0.00 C ATOM 210 CG1 VAL A 31 -9.689 -6.534 -4.682 1.00 0.00 C ATOM 211 CG2 VAL A 31 -8.912 -8.708 -5.655 1.00 0.00 C ATOM 0 HA VAL A 31 -9.420 -6.173 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.663 -7.132 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.789 -7.035 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.415 -5.491 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.638 -6.581 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.023 -9.160 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.836 -8.835 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.093 -9.193 -6.187 1.00 0.00 H new ATOM 221 N GLY A 32 -7.549 -4.396 -7.578 1.00 0.00 N ATOM 222 CA GLY A 32 -6.687 -3.255 -7.439 1.00 0.00 C ATOM 223 C GLY A 32 -7.513 -2.012 -7.573 1.00 0.00 C ATOM 224 O GLY A 32 -8.004 -1.670 -8.633 1.00 0.00 O ATOM 0 H GLY A 32 -8.198 -4.360 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.187 -3.274 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.907 -3.275 -8.201 1.00 0.00 H new ATOM 228 N ILE A 33 -7.606 -1.278 -6.516 1.00 0.00 N ATOM 229 CA ILE A 33 -8.349 -0.069 -6.537 1.00 0.00 C ATOM 230 C ILE A 33 -7.944 0.803 -5.403 1.00 0.00 C ATOM 231 O ILE A 33 -7.023 0.492 -4.636 1.00 0.00 O ATOM 232 CB ILE A 33 -9.881 -0.267 -6.560 1.00 0.00 C ATOM 233 CG1 ILE A 33 -10.513 -0.194 -5.171 1.00 0.00 C ATOM 234 CG2 ILE A 33 -10.278 -1.559 -7.239 1.00 0.00 C ATOM 235 CD1 ILE A 33 -11.662 0.789 -5.089 1.00 0.00 C ATOM 0 H ILE A 33 -7.172 -1.499 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.107 0.418 -7.481 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.269 0.567 -7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.870 -1.184 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.750 0.088 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.364 -1.655 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.921 -1.553 -8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.835 -2.401 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -12.066 0.793 -4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -11.305 1.788 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -12.443 0.495 -5.790 1.00 0.00 H new ATOM 247 N LYS A 34 -8.646 1.889 -5.303 1.00 0.00 N ATOM 248 CA LYS A 34 -8.433 2.777 -4.188 1.00 0.00 C ATOM 249 C LYS A 34 -9.082 2.013 -3.038 1.00 0.00 C ATOM 250 O LYS A 34 -10.249 1.639 -3.129 1.00 0.00 O ATOM 251 CB LYS A 34 -9.104 4.135 -4.406 1.00 0.00 C ATOM 252 CG LYS A 34 -8.296 5.080 -5.282 1.00 0.00 C ATOM 253 CD LYS A 34 -8.082 6.425 -4.606 1.00 0.00 C ATOM 254 CE LYS A 34 -6.712 6.999 -4.929 1.00 0.00 C ATOM 255 NZ LYS A 34 -5.668 6.514 -3.983 1.00 0.00 N ATOM 0 H LYS A 34 -9.363 2.185 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.383 3.015 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.082 3.979 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.274 4.606 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.330 4.629 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.811 5.227 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.855 7.123 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.185 6.312 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.435 6.725 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.757 8.087 -4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.734 6.573 -4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.675 7.104 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.866 5.526 -3.725 1.00 0.00 H new ATOM 269 N GLY A 35 -8.329 1.701 -2.009 1.00 0.00 N ATOM 270 CA GLY A 35 -8.872 0.879 -0.949 1.00 0.00 C ATOM 271 C GLY A 35 -8.462 1.269 0.444 1.00 0.00 C ATOM 272 O GLY A 35 -7.678 2.200 0.657 1.00 0.00 O ATOM 0 H GLY A 35 -7.361 1.995 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.960 0.908 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.570 -0.154 -1.123 1.00 0.00 H new ATOM 276 N GLU A 36 -9.016 0.529 1.395 1.00 0.00 N ATOM 277 CA GLU A 36 -8.736 0.767 2.812 1.00 0.00 C ATOM 278 C GLU A 36 -7.926 -0.378 3.409 1.00 0.00 C ATOM 279 O GLU A 36 -8.122 -1.541 3.035 1.00 0.00 O ATOM 280 CB GLU A 36 -10.043 0.942 3.588 1.00 0.00 C ATOM 281 CG GLU A 36 -9.964 1.995 4.683 1.00 0.00 C ATOM 282 CD GLU A 36 -11.308 2.262 5.331 1.00 0.00 C ATOM 283 OE1 GLU A 36 -12.330 2.236 4.613 1.00 0.00 O ATOM 284 OE2 GLU A 36 -11.340 2.498 6.557 1.00 0.00 O ATOM 0 H GLU A 36 -9.661 -0.240 1.216 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.148 1.681 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.836 1.213 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.322 -0.013 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.255 1.670 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.576 2.923 4.263 1.00 0.00 H new ATOM 291 N VAL A 37 -7.014 -0.055 4.336 1.00 0.00 N ATOM 292 CA VAL A 37 -6.189 -1.094 4.962 1.00 0.00 C ATOM 293 C VAL A 37 -6.302 -1.093 6.477 1.00 0.00 C ATOM 294 O VAL A 37 -6.071 -0.082 7.138 1.00 0.00 O ATOM 295 CB VAL A 37 -4.704 -0.978 4.574 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.519 -1.217 3.086 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.143 0.374 4.979 1.00 0.00 C ATOM 0 H VAL A 37 -6.832 0.894 4.662 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.583 -2.036 4.580 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.150 -1.747 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.462 -1.131 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.873 -2.216 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.089 -0.476 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.092 0.432 4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.700 1.164 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.234 0.497 6.058 1.00 0.00 H new ATOM 307 N VAL A 38 -6.638 -2.258 7.016 1.00 0.00 N ATOM 308 CA VAL A 38 -6.768 -2.442 8.449 1.00 0.00 C ATOM 309 C VAL A 38 -5.946 -3.644 8.907 1.00 0.00 C ATOM 310 O VAL A 38 -5.942 -4.694 8.256 1.00 0.00 O ATOM 311 CB VAL A 38 -8.238 -2.649 8.863 1.00 0.00 C ATOM 312 CG1 VAL A 38 -9.045 -1.383 8.617 1.00 0.00 C ATOM 313 CG2 VAL A 38 -8.841 -3.827 8.113 1.00 0.00 C ATOM 0 H VAL A 38 -6.827 -3.099 6.470 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.397 -1.536 8.927 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.269 -2.871 9.930 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.080 -1.548 8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.625 -0.564 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.009 -1.128 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.879 -3.959 8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.799 -3.636 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.278 -4.731 8.343 1.00 0.00 H new ATOM 395 N THR A 44 -1.950 -9.691 10.663 1.00 0.00 N ATOM 396 CA THR A 44 -2.092 -9.868 9.223 1.00 0.00 C ATOM 397 C THR A 44 -2.595 -8.574 8.603 1.00 0.00 C ATOM 398 O THR A 44 -3.150 -7.724 9.301 1.00 0.00 O ATOM 399 CB THR A 44 -3.061 -11.012 8.916 1.00 0.00 C ATOM 400 OG1 THR A 44 -2.948 -12.038 9.886 1.00 0.00 O ATOM 401 CG2 THR A 44 -2.835 -11.637 7.557 1.00 0.00 C ATOM 0 HA THR A 44 -1.121 -10.120 8.798 1.00 0.00 H new ATOM 0 HB THR A 44 -4.054 -10.563 8.931 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.385 -11.728 10.626 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.555 -12.441 7.402 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.964 -10.881 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.824 -12.040 7.506 1.00 0.00 H new ATOM 409 N LEU A 45 -2.404 -8.410 7.299 1.00 0.00 N ATOM 410 CA LEU A 45 -2.851 -7.192 6.635 1.00 0.00 C ATOM 411 C LEU A 45 -4.063 -7.461 5.758 1.00 0.00 C ATOM 412 O LEU A 45 -4.020 -8.307 4.868 1.00 0.00 O ATOM 413 CB LEU A 45 -1.719 -6.603 5.790 1.00 0.00 C ATOM 414 CG LEU A 45 -0.345 -6.602 6.460 1.00 0.00 C ATOM 415 CD1 LEU A 45 0.753 -6.385 5.430 1.00 0.00 C ATOM 416 CD2 LEU A 45 -0.278 -5.543 7.549 1.00 0.00 C ATOM 0 H LEU A 45 -1.951 -9.091 6.690 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.136 -6.475 7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.652 -7.165 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.979 -5.578 5.526 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.191 -7.576 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.723 -6.387 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.722 -7.185 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.602 -5.426 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.708 -5.560 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.457 -4.560 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.037 -5.749 8.304 1.00 0.00 H new ATOM 427 N LYS A 46 -5.140 -6.726 6.001 1.00 0.00 N ATOM 428 CA LYS A 46 -6.356 -6.880 5.217 1.00 0.00 C ATOM 429 C LYS A 46 -6.562 -5.650 4.347 1.00 0.00 C ATOM 430 O LYS A 46 -6.595 -4.525 4.853 1.00 0.00 O ATOM 431 CB LYS A 46 -7.563 -7.082 6.135 1.00 0.00 C ATOM 432 CG LYS A 46 -8.649 -7.956 5.532 1.00 0.00 C ATOM 433 CD LYS A 46 -9.724 -8.292 6.553 1.00 0.00 C ATOM 434 CE LYS A 46 -10.618 -9.425 6.073 1.00 0.00 C ATOM 435 NZ LYS A 46 -10.864 -10.431 7.144 1.00 0.00 N ATOM 0 H LYS A 46 -5.196 -6.019 6.734 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.256 -7.759 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.226 -7.529 7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.987 -6.109 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.100 -7.444 4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.207 -8.877 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.256 -8.572 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.330 -7.407 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.570 -9.017 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.156 -9.914 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.477 -11.186 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.958 -10.839 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.328 -9.971 7.953 1.00 0.00 H new ATOM 449 N ILE A 47 -6.686 -5.853 3.043 1.00 0.00 N ATOM 450 CA ILE A 47 -6.873 -4.735 2.128 1.00 0.00 C ATOM 451 C ILE A 47 -8.088 -4.945 1.245 1.00 0.00 C ATOM 452 O ILE A 47 -8.299 -6.040 0.720 1.00 0.00 O ATOM 453 CB ILE A 47 -5.633 -4.537 1.235 1.00 0.00 C ATOM 454 CG1 ILE A 47 -5.880 -3.433 0.202 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.266 -5.841 0.544 1.00 0.00 C ATOM 456 CD1 ILE A 47 -6.408 -2.145 0.800 1.00 0.00 C ATOM 0 H ILE A 47 -6.661 -6.771 2.598 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.024 -3.845 2.739 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.799 -4.232 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.948 -3.224 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.590 -3.796 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.388 -5.686 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.046 -6.601 1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.100 -6.172 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.558 -1.411 0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.357 -2.338 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.689 -1.758 1.522 1.00 0.00 H new ATOM 468 N MET A 48 -8.891 -3.905 1.074 1.00 0.00 N ATOM 469 CA MET A 48 -10.081 -4.014 0.238 1.00 0.00 C ATOM 470 C MET A 48 -10.050 -2.987 -0.888 1.00 0.00 C ATOM 471 O MET A 48 -9.923 -1.772 -0.620 1.00 0.00 O ATOM 472 CB MET A 48 -11.343 -3.824 1.080 1.00 0.00 C ATOM 473 CG MET A 48 -11.319 -2.568 1.938 1.00 0.00 C ATOM 474 SD MET A 48 -12.861 -1.638 1.859 1.00 0.00 S ATOM 475 CE MET A 48 -12.399 -0.306 0.753 1.00 0.00 C ATOM 0 H MET A 48 -8.745 -2.988 1.496 1.00 0.00 H new ATOM 0 HA MET A 48 -10.093 -5.011 -0.202 1.00 0.00 H new ATOM 0 HB2 MET A 48 -12.209 -3.786 0.419 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.473 -4.693 1.726 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.120 -2.845 2.973 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.497 -1.929 1.615 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.241 0.376 0.633 1.00 0.00 H new ATOM 0 HE2 MET A 48 -11.550 0.235 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 48 -12.125 -0.718 -0.218 1.00 0.00 H new ATOM 485 N THR A 49 -10.168 -3.481 -2.147 1.00 0.00 N ATOM 486 CA THR A 49 -10.160 -2.619 -3.311 1.00 0.00 C ATOM 487 C THR A 49 -11.269 -3.001 -4.314 1.00 0.00 C ATOM 488 O THR A 49 -12.435 -2.664 -4.106 1.00 0.00 O ATOM 489 CB THR A 49 -8.787 -2.660 -3.979 1.00 0.00 C ATOM 490 OG1 THR A 49 -8.478 -3.973 -4.412 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.667 -2.196 -3.072 1.00 0.00 C ATOM 0 H THR A 49 -10.269 -4.473 -2.360 1.00 0.00 H new ATOM 0 HA THR A 49 -10.365 -1.601 -2.979 1.00 0.00 H new ATOM 0 HB THR A 49 -8.855 -1.974 -4.823 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.512 -4.050 -4.561 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.719 -2.250 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.851 -1.167 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.623 -2.837 -2.191 1.00 0.00 H new ATOM 499 N GLU A 50 -10.905 -3.664 -5.423 1.00 0.00 N ATOM 500 CA GLU A 50 -11.879 -4.031 -6.460 1.00 0.00 C ATOM 501 C GLU A 50 -12.691 -5.276 -6.106 1.00 0.00 C ATOM 502 O GLU A 50 -13.804 -5.171 -5.591 1.00 0.00 O ATOM 503 CB GLU A 50 -11.180 -4.236 -7.814 1.00 0.00 C ATOM 504 CG GLU A 50 -11.777 -3.404 -8.940 1.00 0.00 C ATOM 505 CD GLU A 50 -12.617 -4.230 -9.894 1.00 0.00 C ATOM 506 OE1 GLU A 50 -13.688 -4.717 -9.473 1.00 0.00 O ATOM 507 OE2 GLU A 50 -12.205 -4.391 -11.063 1.00 0.00 O ATOM 0 H GLU A 50 -9.948 -3.955 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.578 -3.198 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.124 -3.987 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.233 -5.290 -8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.392 -2.611 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.973 -2.921 -9.495 1.00 0.00 H new ATOM 514 N LYS A 51 -12.145 -6.454 -6.415 1.00 0.00 N ATOM 515 CA LYS A 51 -12.845 -7.714 -6.157 1.00 0.00 C ATOM 516 C LYS A 51 -13.505 -7.730 -4.783 1.00 0.00 C ATOM 517 O LYS A 51 -14.519 -8.398 -4.581 1.00 0.00 O ATOM 518 CB LYS A 51 -11.886 -8.897 -6.290 1.00 0.00 C ATOM 519 CG LYS A 51 -12.501 -10.099 -6.988 1.00 0.00 C ATOM 520 CD LYS A 51 -12.088 -11.402 -6.324 1.00 0.00 C ATOM 521 CE LYS A 51 -12.844 -12.587 -6.906 1.00 0.00 C ATOM 522 NZ LYS A 51 -12.758 -12.624 -8.392 1.00 0.00 N ATOM 0 H LYS A 51 -11.225 -6.562 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.633 -7.803 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.002 -8.578 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.550 -9.196 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.587 -10.012 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.194 -10.110 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.016 -11.554 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.275 -11.341 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.440 -13.512 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.890 -12.534 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.073 -13.554 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.367 -11.882 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.774 -12.462 -8.687 1.00 0.00 H new ATOM 536 N GLY A 52 -12.934 -6.989 -3.841 1.00 0.00 N ATOM 537 CA GLY A 52 -13.497 -6.936 -2.508 1.00 0.00 C ATOM 538 C GLY A 52 -12.443 -6.979 -1.422 1.00 0.00 C ATOM 539 O GLY A 52 -11.456 -6.231 -1.470 1.00 0.00 O ATOM 0 H GLY A 52 -12.094 -6.426 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.083 -6.023 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.183 -7.773 -2.375 1.00 0.00 H new ATOM 543 N LEU A 53 -12.663 -7.848 -0.439 1.00 0.00 N ATOM 544 CA LEU A 53 -11.747 -7.995 0.684 1.00 0.00 C ATOM 545 C LEU A 53 -10.816 -9.191 0.498 1.00 0.00 C ATOM 546 O LEU A 53 -11.263 -10.320 0.298 1.00 0.00 O ATOM 547 CB LEU A 53 -12.534 -8.146 1.989 1.00 0.00 C ATOM 548 CG LEU A 53 -12.578 -6.896 2.868 1.00 0.00 C ATOM 549 CD1 LEU A 53 -13.741 -6.001 2.468 1.00 0.00 C ATOM 550 CD2 LEU A 53 -12.677 -7.281 4.337 1.00 0.00 C ATOM 0 H LEU A 53 -13.475 -8.464 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.133 -7.096 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.556 -8.437 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.098 -8.962 2.566 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.653 -6.339 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.755 -5.117 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.625 -5.697 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.677 -6.547 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.707 -6.379 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.585 -7.861 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.809 -7.879 4.616 1.00 0.00 H new ATOM 562 N LYS A 54 -9.521 -8.923 0.586 1.00 0.00 N ATOM 563 CA LYS A 54 -8.500 -9.948 0.451 1.00 0.00 C ATOM 564 C LYS A 54 -7.540 -9.895 1.638 1.00 0.00 C ATOM 565 O LYS A 54 -7.136 -8.814 2.078 1.00 0.00 O ATOM 566 CB LYS A 54 -7.731 -9.767 -0.860 1.00 0.00 C ATOM 567 CG LYS A 54 -7.694 -11.019 -1.721 1.00 0.00 C ATOM 568 CD LYS A 54 -9.063 -11.333 -2.305 1.00 0.00 C ATOM 569 CE LYS A 54 -9.313 -12.833 -2.365 1.00 0.00 C ATOM 570 NZ LYS A 54 -9.193 -13.361 -3.752 1.00 0.00 N ATOM 0 H LYS A 54 -9.150 -7.988 0.753 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.987 -10.923 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.187 -8.957 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.710 -9.462 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.974 -10.886 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.350 -11.863 -1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.835 -10.858 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.138 -10.910 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.601 -13.346 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.309 -13.051 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.370 -14.386 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.890 -12.890 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.235 -13.176 -4.112 1.00 0.00 H new ATOM 584 N VAL A 55 -7.186 -11.068 2.157 1.00 0.00 N ATOM 585 CA VAL A 55 -6.282 -11.158 3.297 1.00 0.00 C ATOM 586 C VAL A 55 -4.918 -11.706 2.892 1.00 0.00 C ATOM 587 O VAL A 55 -4.818 -12.758 2.262 1.00 0.00 O ATOM 588 CB VAL A 55 -6.863 -12.045 4.410 1.00 0.00 C ATOM 589 CG1 VAL A 55 -8.043 -11.360 5.082 1.00 0.00 C ATOM 590 CG2 VAL A 55 -7.271 -13.403 3.856 1.00 0.00 C ATOM 0 H VAL A 55 -7.512 -11.968 1.805 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.162 -10.142 3.673 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.089 -12.202 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.439 -12.005 5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.716 -10.416 5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.821 -11.167 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.680 -14.016 4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.027 -13.268 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.399 -13.899 3.429 1.00 0.00 H new ATOM 600 N VAL A 56 -3.873 -10.982 3.269 1.00 0.00 N ATOM 601 CA VAL A 56 -2.506 -11.377 2.963 1.00 0.00 C ATOM 602 C VAL A 56 -1.638 -11.376 4.221 1.00 0.00 C ATOM 603 O VAL A 56 -1.721 -10.469 5.053 1.00 0.00 O ATOM 604 CB VAL A 56 -1.870 -10.442 1.916 1.00 0.00 C ATOM 605 CG1 VAL A 56 -0.507 -10.963 1.490 1.00 0.00 C ATOM 606 CG2 VAL A 56 -2.788 -10.285 0.711 1.00 0.00 C ATOM 0 H VAL A 56 -3.948 -10.110 3.792 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.554 -12.387 2.556 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.732 -9.461 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.075 -10.289 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.149 -11.018 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.617 -11.956 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.322 -9.621 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.960 -11.260 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.740 -9.861 1.031 1.00 0.00 H new ATOM 679 N ARG A 61 1.832 -9.316 -3.148 1.00 0.00 N ATOM 680 CA ARG A 61 1.279 -8.255 -3.987 1.00 0.00 C ATOM 681 C ARG A 61 2.014 -6.943 -3.740 1.00 0.00 C ATOM 682 O ARG A 61 3.010 -6.912 -3.014 1.00 0.00 O ATOM 683 CB ARG A 61 -0.215 -8.086 -3.713 1.00 0.00 C ATOM 684 CG ARG A 61 -0.984 -9.398 -3.718 1.00 0.00 C ATOM 685 CD ARG A 61 -0.831 -10.130 -5.044 1.00 0.00 C ATOM 686 NE ARG A 61 -1.031 -11.570 -4.901 1.00 0.00 N ATOM 687 CZ ARG A 61 -0.635 -12.466 -5.803 1.00 0.00 C ATOM 688 NH1 ARG A 61 -0.019 -12.073 -6.912 1.00 0.00 N ATOM 689 NH2 ARG A 61 -0.853 -13.757 -5.596 1.00 0.00 N ATOM 0 HA ARG A 61 1.412 -8.535 -5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.346 -7.600 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.641 -7.421 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.627 -10.033 -2.907 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.040 -9.203 -3.529 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.549 -9.734 -5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.163 -9.941 -5.450 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.501 -11.909 -4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.153 -11.081 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.282 -12.763 -7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.324 -14.065 -4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.549 -14.443 -6.287 1.00 0.00 H new ATOM 703 N THR A 62 1.523 -5.857 -4.330 1.00 0.00 N ATOM 704 CA THR A 62 2.156 -4.554 -4.145 1.00 0.00 C ATOM 705 C THR A 62 1.147 -3.548 -3.616 1.00 0.00 C ATOM 706 O THR A 62 0.104 -3.331 -4.230 1.00 0.00 O ATOM 707 CB THR A 62 2.742 -4.059 -5.467 1.00 0.00 C ATOM 708 OG1 THR A 62 3.673 -4.993 -5.984 1.00 0.00 O ATOM 709 CG2 THR A 62 3.446 -2.725 -5.347 1.00 0.00 C ATOM 0 H THR A 62 0.700 -5.851 -4.933 1.00 0.00 H new ATOM 0 HA THR A 62 2.962 -4.660 -3.419 1.00 0.00 H new ATOM 0 HB THR A 62 1.889 -3.942 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.036 -4.659 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.838 -2.432 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.740 -1.971 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.267 -2.810 -4.635 1.00 0.00 H new ATOM 717 N PHE A 63 1.449 -2.923 -2.485 1.00 0.00 N ATOM 718 CA PHE A 63 0.533 -1.942 -1.917 1.00 0.00 C ATOM 719 C PHE A 63 1.271 -0.674 -1.460 1.00 0.00 C ATOM 720 O PHE A 63 2.454 -0.714 -1.103 1.00 0.00 O ATOM 721 CB PHE A 63 -0.249 -2.534 -0.733 1.00 0.00 C ATOM 722 CG PHE A 63 0.226 -3.890 -0.282 1.00 0.00 C ATOM 723 CD1 PHE A 63 1.541 -4.086 0.102 1.00 0.00 C ATOM 724 CD2 PHE A 63 -0.650 -4.963 -0.239 1.00 0.00 C ATOM 725 CE1 PHE A 63 1.977 -5.327 0.523 1.00 0.00 C ATOM 726 CE2 PHE A 63 -0.220 -6.209 0.181 1.00 0.00 C ATOM 727 CZ PHE A 63 1.096 -6.390 0.562 1.00 0.00 C ATOM 0 H PHE A 63 2.305 -3.074 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.167 -1.670 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.186 -1.844 0.108 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.301 -2.606 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.235 -3.259 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.679 -4.825 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.006 -5.466 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.911 -7.038 0.211 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.435 -7.362 0.890 1.00 0.00 H new ATOM 737 N ARG A 64 0.550 0.442 -1.445 1.00 0.00 N ATOM 738 CA ARG A 64 1.090 1.727 -0.998 1.00 0.00 C ATOM 739 C ARG A 64 0.199 2.251 0.121 1.00 0.00 C ATOM 740 O ARG A 64 -1.017 2.341 -0.058 1.00 0.00 O ATOM 741 CB ARG A 64 1.138 2.728 -2.155 1.00 0.00 C ATOM 742 CG ARG A 64 2.435 2.684 -2.948 1.00 0.00 C ATOM 743 CD ARG A 64 3.118 4.042 -2.981 1.00 0.00 C ATOM 744 NE ARG A 64 2.716 4.828 -4.145 1.00 0.00 N ATOM 745 CZ ARG A 64 3.208 4.647 -5.368 1.00 0.00 C ATOM 746 NH1 ARG A 64 4.118 3.707 -5.592 1.00 0.00 N ATOM 747 NH2 ARG A 64 2.789 5.408 -6.370 1.00 0.00 N ATOM 0 H ARG A 64 -0.425 0.484 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 64 2.110 1.594 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.304 2.532 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.998 3.734 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.107 1.949 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.228 2.355 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.876 4.592 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.199 3.904 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 64 2.017 5.559 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.443 3.119 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.492 3.573 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.090 6.132 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.166 5.270 -7.308 1.00 0.00 H new ATOM 761 N VAL A 65 0.776 2.554 1.282 1.00 0.00 N ATOM 762 CA VAL A 65 -0.026 3.002 2.418 1.00 0.00 C ATOM 763 C VAL A 65 0.251 4.438 2.863 1.00 0.00 C ATOM 764 O VAL A 65 1.397 4.878 2.957 1.00 0.00 O ATOM 765 CB VAL A 65 0.179 2.062 3.626 1.00 0.00 C ATOM 766 CG1 VAL A 65 -0.663 2.505 4.816 1.00 0.00 C ATOM 767 CG2 VAL A 65 -0.145 0.626 3.243 1.00 0.00 C ATOM 0 H VAL A 65 1.779 2.499 1.460 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.057 2.973 2.065 1.00 0.00 H new ATOM 0 HB VAL A 65 1.227 2.114 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.498 1.825 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.376 3.515 5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.718 2.492 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.005 -0.023 4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.183 0.562 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.511 0.309 2.432 1.00 0.00 H new ATOM 777 N TRP A 66 -0.840 5.138 3.173 1.00 0.00 N ATOM 778 CA TRP A 66 -0.811 6.508 3.659 1.00 0.00 C ATOM 779 C TRP A 66 -1.546 6.600 5.003 1.00 0.00 C ATOM 780 O TRP A 66 -2.722 6.222 5.120 1.00 0.00 O ATOM 781 CB TRP A 66 -1.479 7.463 2.667 1.00 0.00 C ATOM 782 CG TRP A 66 -1.036 7.302 1.245 1.00 0.00 C ATOM 783 CD1 TRP A 66 0.203 7.552 0.732 1.00 0.00 C ATOM 784 CD2 TRP A 66 -1.845 6.874 0.147 1.00 0.00 C ATOM 785 NE1 TRP A 66 0.213 7.309 -0.621 1.00 0.00 N ATOM 786 CE2 TRP A 66 -1.036 6.891 -1.002 1.00 0.00 C ATOM 787 CE3 TRP A 66 -3.180 6.479 0.026 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -1.519 6.530 -2.257 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -3.659 6.119 -1.214 1.00 0.00 C ATOM 790 CH2 TRP A 66 -2.830 6.146 -2.343 1.00 0.00 C ATOM 0 H TRP A 66 -1.783 4.758 3.090 1.00 0.00 H new ATOM 0 HA TRP A 66 0.233 6.796 3.778 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.558 7.318 2.715 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.281 8.488 2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.053 7.892 1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.017 7.421 -1.239 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.826 6.456 0.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -0.883 6.552 -3.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.689 5.811 -1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -3.234 5.858 -3.302 1.00 0.00 H new ATOM 801 N TYR A 67 -0.840 7.116 6.004 1.00 0.00 N ATOM 802 CA TYR A 67 -1.397 7.278 7.340 1.00 0.00 C ATOM 803 C TYR A 67 -1.598 8.756 7.650 1.00 0.00 C ATOM 804 O TYR A 67 -1.213 9.622 6.865 1.00 0.00 O ATOM 805 CB TYR A 67 -0.468 6.657 8.385 1.00 0.00 C ATOM 806 CG TYR A 67 -0.433 5.146 8.358 1.00 0.00 C ATOM 807 CD1 TYR A 67 0.449 4.468 7.527 1.00 0.00 C ATOM 808 CD2 TYR A 67 -1.279 4.398 9.166 1.00 0.00 C ATOM 809 CE1 TYR A 67 0.487 3.086 7.503 1.00 0.00 C ATOM 810 CE2 TYR A 67 -1.248 3.017 9.148 1.00 0.00 C ATOM 811 CZ TYR A 67 -0.363 2.366 8.314 1.00 0.00 C ATOM 812 OH TYR A 67 -0.328 0.992 8.293 1.00 0.00 O ATOM 0 H TYR A 67 0.126 7.431 5.913 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.360 6.769 7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.542 7.036 8.229 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.782 6.985 9.376 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.116 5.029 6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.973 4.905 9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.180 2.573 6.852 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.913 2.450 9.783 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.582 0.645 9.174 1.00 0.00 H new ATOM 822 N LYS A 68 -2.191 9.043 8.802 1.00 0.00 N ATOM 823 CA LYS A 68 -2.427 10.421 9.210 1.00 0.00 C ATOM 824 C LYS A 68 -1.146 11.037 9.775 1.00 0.00 C ATOM 825 O LYS A 68 -1.110 11.482 10.922 1.00 0.00 O ATOM 826 CB LYS A 68 -3.556 10.483 10.246 1.00 0.00 C ATOM 827 CG LYS A 68 -4.760 11.288 9.786 1.00 0.00 C ATOM 828 CD LYS A 68 -4.471 12.780 9.802 1.00 0.00 C ATOM 829 CE LYS A 68 -4.610 13.360 11.199 1.00 0.00 C ATOM 830 NZ LYS A 68 -4.031 14.729 11.294 1.00 0.00 N ATOM 0 H LYS A 68 -2.516 8.342 9.468 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.728 10.997 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.877 9.469 10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.169 10.918 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.041 10.981 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.611 11.074 10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.462 12.960 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.155 13.291 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.664 13.392 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.113 12.705 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.146 15.088 12.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.019 14.695 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.522 15.361 10.630 1.00 0.00 H new ATOM 844 N GLY A 69 -0.094 11.057 8.960 1.00 0.00 N ATOM 845 CA GLY A 69 1.171 11.617 9.399 1.00 0.00 C ATOM 846 C GLY A 69 2.289 11.421 8.389 1.00 0.00 C ATOM 847 O GLY A 69 2.919 12.388 7.960 1.00 0.00 O ATOM 0 H GLY A 69 -0.096 10.696 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.044 12.683 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.458 11.156 10.344 1.00 0.00 H new ATOM 851 N LYS A 70 2.543 10.170 8.013 1.00 0.00 N ATOM 852 CA LYS A 70 3.602 9.864 7.054 1.00 0.00 C ATOM 853 C LYS A 70 3.115 8.904 5.968 1.00 0.00 C ATOM 854 O LYS A 70 2.071 8.264 6.109 1.00 0.00 O ATOM 855 CB LYS A 70 4.811 9.266 7.778 1.00 0.00 C ATOM 856 CG LYS A 70 5.893 10.287 8.096 1.00 0.00 C ATOM 857 CD LYS A 70 6.691 9.892 9.331 1.00 0.00 C ATOM 858 CE LYS A 70 6.528 10.908 10.450 1.00 0.00 C ATOM 859 NZ LYS A 70 7.607 10.790 11.470 1.00 0.00 N ATOM 0 H LYS A 70 2.033 9.356 8.355 1.00 0.00 H new ATOM 0 HA LYS A 70 3.894 10.796 6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.476 8.802 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.239 8.475 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.565 10.383 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.437 11.264 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.364 8.912 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.746 9.803 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.534 11.914 10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.559 10.768 10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.459 11.500 12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.586 9.838 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.530 10.949 11.019 1.00 0.00 H new ATOM 873 N ILE A 71 3.885 8.813 4.885 1.00 0.00 N ATOM 874 CA ILE A 71 3.544 7.938 3.767 1.00 0.00 C ATOM 875 C ILE A 71 4.691 6.981 3.442 1.00 0.00 C ATOM 876 O ILE A 71 5.835 7.402 3.279 1.00 0.00 O ATOM 877 CB ILE A 71 3.198 8.754 2.506 1.00 0.00 C ATOM 878 CG1 ILE A 71 4.399 9.604 2.072 1.00 0.00 C ATOM 879 CG2 ILE A 71 1.984 9.633 2.762 1.00 0.00 C ATOM 880 CD1 ILE A 71 4.965 9.205 0.727 1.00 0.00 C ATOM 0 H ILE A 71 4.751 9.336 4.759 1.00 0.00 H new ATOM 0 HA ILE A 71 2.671 7.360 4.072 1.00 0.00 H new ATOM 0 HB ILE A 71 2.958 8.062 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.099 10.651 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.182 9.524 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.752 10.203 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.131 9.008 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.198 10.319 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.811 9.847 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.296 8.167 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.196 9.312 -0.038 1.00 0.00 H new ATOM 892 N MET A 72 4.374 5.692 3.341 1.00 0.00 N ATOM 893 CA MET A 72 5.380 4.679 3.029 1.00 0.00 C ATOM 894 C MET A 72 4.857 3.689 1.988 1.00 0.00 C ATOM 895 O MET A 72 3.647 3.532 1.818 1.00 0.00 O ATOM 896 CB MET A 72 5.790 3.931 4.300 1.00 0.00 C ATOM 897 CG MET A 72 7.054 4.477 4.945 1.00 0.00 C ATOM 898 SD MET A 72 7.011 4.380 6.745 1.00 0.00 S ATOM 899 CE MET A 72 7.431 2.659 7.001 1.00 0.00 C ATOM 0 H MET A 72 3.431 5.325 3.470 1.00 0.00 H new ATOM 0 HA MET A 72 6.252 5.185 2.614 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.974 3.981 5.020 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.940 2.878 4.060 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.916 3.921 4.575 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.192 5.515 4.644 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.445 2.443 8.069 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.689 2.027 6.513 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.415 2.458 6.577 1.00 0.00 H new ATOM 909 N ARG A 73 5.774 3.019 1.297 1.00 0.00 N ATOM 910 CA ARG A 73 5.401 2.042 0.276 1.00 0.00 C ATOM 911 C ARG A 73 5.942 0.661 0.631 1.00 0.00 C ATOM 912 O ARG A 73 7.109 0.521 1.000 1.00 0.00 O ATOM 913 CB ARG A 73 5.929 2.474 -1.093 1.00 0.00 C ATOM 914 CG ARG A 73 7.366 2.973 -1.063 1.00 0.00 C ATOM 915 CD ARG A 73 7.439 4.486 -1.203 1.00 0.00 C ATOM 916 NE ARG A 73 8.477 4.899 -2.143 1.00 0.00 N ATOM 917 CZ ARG A 73 9.772 4.950 -1.842 1.00 0.00 C ATOM 918 NH1 ARG A 73 10.193 4.617 -0.627 1.00 0.00 N ATOM 919 NH2 ARG A 73 10.651 5.336 -2.759 1.00 0.00 N ATOM 0 H ARG A 73 6.780 3.133 1.424 1.00 0.00 H new ATOM 0 HA ARG A 73 4.313 1.990 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.860 1.632 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.288 3.262 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.837 2.671 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.931 2.505 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.474 4.866 -1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.635 4.931 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 73 8.193 5.164 -3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.522 4.320 0.082 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.187 4.658 -0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.333 5.593 -3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.644 5.375 -2.529 1.00 0.00 H new ATOM 933 N ILE A 74 5.094 -0.359 0.519 1.00 0.00 N ATOM 934 CA ILE A 74 5.505 -1.722 0.837 1.00 0.00 C ATOM 935 C ILE A 74 5.206 -2.682 -0.315 1.00 0.00 C ATOM 936 O ILE A 74 4.113 -2.679 -0.881 1.00 0.00 O ATOM 937 CB ILE A 74 4.815 -2.228 2.122 1.00 0.00 C ATOM 938 CG1 ILE A 74 5.282 -3.647 2.463 1.00 0.00 C ATOM 939 CG2 ILE A 74 3.301 -2.182 1.973 1.00 0.00 C ATOM 940 CD1 ILE A 74 6.719 -3.712 2.935 1.00 0.00 C ATOM 0 H ILE A 74 4.125 -0.268 0.213 1.00 0.00 H new ATOM 0 HA ILE A 74 6.583 -1.697 0.999 1.00 0.00 H new ATOM 0 HB ILE A 74 5.097 -1.569 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.634 -4.058 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.168 -4.280 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.834 -2.543 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.985 -1.156 1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.998 -2.814 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.982 -4.746 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.376 -3.331 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.835 -3.106 3.833 1.00 0.00 H new ATOM 952 N LYS A 75 6.195 -3.506 -0.652 1.00 0.00 N ATOM 953 CA LYS A 75 6.052 -4.479 -1.727 1.00 0.00 C ATOM 954 C LYS A 75 6.516 -5.860 -1.270 1.00 0.00 C ATOM 955 O LYS A 75 7.444 -5.981 -0.471 1.00 0.00 O ATOM 956 CB LYS A 75 6.856 -4.038 -2.951 1.00 0.00 C ATOM 957 CG LYS A 75 8.328 -3.797 -2.658 1.00 0.00 C ATOM 958 CD LYS A 75 9.182 -4.984 -3.073 1.00 0.00 C ATOM 959 CE LYS A 75 10.501 -4.536 -3.682 1.00 0.00 C ATOM 960 NZ LYS A 75 11.417 -5.683 -3.929 1.00 0.00 N ATOM 0 H LYS A 75 7.106 -3.518 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 75 4.997 -4.538 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.768 -4.799 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.419 -3.123 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.663 -2.904 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.461 -3.607 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.376 -5.615 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.635 -5.592 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.309 -4.016 -4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.985 -3.822 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.305 -5.335 -4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.621 -6.164 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.966 -6.352 -4.585 1.00 0.00 H new