USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=10 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 95:sc= -2.24! USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 44 THR OG1 : rot 38:sc= 0.124 USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= -1.45 (180deg=-2.52) USER MOD Single : A 48 MET CE :methyl 177:sc= -1.49 (180deg=-1.64) USER MOD Single : A 49 THR OG1 : rot -170:sc= -8.84! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -80:sc= -0.198 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.036) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.114 (180deg=-0.422) 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 -6.167 4.841 8.046 1.00 0.00 N ATOM 9 CA LEU A 18 -5.285 4.127 7.130 1.00 0.00 C ATOM 10 C LEU A 18 -5.844 4.161 5.711 1.00 0.00 C ATOM 11 O LEU A 18 -6.598 3.259 5.301 1.00 0.00 O ATOM 12 CB LEU A 18 -5.098 2.679 7.587 1.00 0.00 C ATOM 13 CG LEU A 18 -5.273 2.437 9.088 1.00 0.00 C ATOM 14 CD1 LEU A 18 -6.720 2.096 9.413 1.00 0.00 C ATOM 15 CD2 LEU A 18 -4.341 1.330 9.562 1.00 0.00 C ATOM 0 HA LEU A 18 -4.315 4.624 7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.809 2.051 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.100 2.350 7.297 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.013 3.355 9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.822 1.928 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.365 2.922 9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.011 1.194 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.479 1.171 10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.569 0.408 9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.307 1.617 9.368 1.00 0.00 H new ATOM 27 N MET A 19 -5.435 5.184 4.954 1.00 0.00 N ATOM 28 CA MET A 19 -5.865 5.340 3.567 1.00 0.00 C ATOM 29 C MET A 19 -4.724 4.915 2.677 1.00 0.00 C ATOM 30 O MET A 19 -3.594 5.394 2.848 1.00 0.00 O ATOM 31 CB MET A 19 -6.258 6.790 3.279 1.00 0.00 C ATOM 32 CG MET A 19 -6.995 6.970 1.962 1.00 0.00 C ATOM 33 SD MET A 19 -7.962 8.490 1.910 1.00 0.00 S ATOM 34 CE MET A 19 -9.258 8.028 0.763 1.00 0.00 C ATOM 0 H MET A 19 -4.805 5.916 5.282 1.00 0.00 H new ATOM 0 HA MET A 19 -6.743 4.722 3.378 1.00 0.00 H new ATOM 0 HB2 MET A 19 -6.887 7.155 4.091 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.359 7.406 3.270 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.274 6.974 1.144 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.655 6.118 1.800 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.939 8.868 0.627 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.816 7.760 -0.197 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.808 7.175 1.160 1.00 0.00 H new ATOM 44 N VAL A 20 -4.959 3.980 1.776 1.00 0.00 N ATOM 45 CA VAL A 20 -3.879 3.487 0.956 1.00 0.00 C ATOM 46 C VAL A 20 -4.294 3.161 -0.472 1.00 0.00 C ATOM 47 O VAL A 20 -5.479 3.143 -0.812 1.00 0.00 O ATOM 48 CB VAL A 20 -3.312 2.206 1.605 1.00 0.00 C ATOM 49 CG1 VAL A 20 -3.166 2.380 3.111 1.00 0.00 C ATOM 50 CG2 VAL A 20 -4.190 0.996 1.305 1.00 0.00 C ATOM 0 H VAL A 20 -5.870 3.556 1.598 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.137 4.284 0.899 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.327 2.031 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.765 1.465 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.487 3.208 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.141 2.593 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.763 0.111 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.193 1.168 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.243 0.843 0.227 1.00 0.00 H new ATOM 60 N GLU A 21 -3.299 2.801 -1.266 1.00 0.00 N ATOM 61 CA GLU A 21 -3.511 2.330 -2.626 1.00 0.00 C ATOM 62 C GLU A 21 -3.006 0.901 -2.613 1.00 0.00 C ATOM 63 O GLU A 21 -1.858 0.659 -2.232 1.00 0.00 O ATOM 64 CB GLU A 21 -2.740 3.160 -3.656 1.00 0.00 C ATOM 65 CG GLU A 21 -3.634 4.018 -4.537 1.00 0.00 C ATOM 66 CD GLU A 21 -2.848 4.829 -5.550 1.00 0.00 C ATOM 67 OE1 GLU A 21 -2.088 5.727 -5.132 1.00 0.00 O ATOM 68 OE2 GLU A 21 -2.994 4.565 -6.762 1.00 0.00 O ATOM 0 H GLU A 21 -2.319 2.827 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.559 2.412 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.032 3.804 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.157 2.490 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.344 3.378 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.216 4.693 -3.910 1.00 0.00 H new ATOM 75 N VAL A 22 -3.850 -0.055 -2.957 1.00 0.00 N ATOM 76 CA VAL A 22 -3.430 -1.443 -2.871 1.00 0.00 C ATOM 77 C VAL A 22 -3.619 -2.247 -4.137 1.00 0.00 C ATOM 78 O VAL A 22 -4.713 -2.297 -4.707 1.00 0.00 O ATOM 79 CB VAL A 22 -4.198 -2.154 -1.746 1.00 0.00 C ATOM 80 CG1 VAL A 22 -3.651 -3.554 -1.514 1.00 0.00 C ATOM 81 CG2 VAL A 22 -4.139 -1.333 -0.468 1.00 0.00 C ATOM 0 H VAL A 22 -4.803 0.095 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.358 -1.397 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.241 -2.250 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.212 -4.036 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.749 -4.139 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.599 -3.492 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.687 -1.848 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.100 -1.206 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.588 -0.355 -0.643 1.00 0.00 H new ATOM 91 N VAL A 23 -2.568 -2.962 -4.519 1.00 0.00 N ATOM 92 CA VAL A 23 -2.661 -3.854 -5.644 1.00 0.00 C ATOM 93 C VAL A 23 -2.276 -5.263 -5.195 1.00 0.00 C ATOM 94 O VAL A 23 -1.134 -5.546 -4.813 1.00 0.00 O ATOM 95 CB VAL A 23 -1.744 -3.415 -6.802 1.00 0.00 C ATOM 96 CG1 VAL A 23 -2.330 -2.210 -7.520 1.00 0.00 C ATOM 97 CG2 VAL A 23 -0.345 -3.110 -6.290 1.00 0.00 C ATOM 0 H VAL A 23 -1.655 -2.936 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.688 -3.835 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.674 -4.236 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.669 -1.915 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.309 -2.468 -7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.433 -1.383 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.288 -2.802 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.394 -2.307 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.075 -4.002 -5.826 1.00 0.00 H new ATOM 107 N GLU A 24 -3.252 -6.146 -5.304 1.00 0.00 N ATOM 108 CA GLU A 24 -3.105 -7.544 -4.961 1.00 0.00 C ATOM 109 C GLU A 24 -4.003 -8.378 -5.860 1.00 0.00 C ATOM 110 O GLU A 24 -4.756 -7.837 -6.682 1.00 0.00 O ATOM 111 CB GLU A 24 -3.465 -7.779 -3.492 1.00 0.00 C ATOM 112 CG GLU A 24 -2.319 -7.494 -2.534 1.00 0.00 C ATOM 113 CD GLU A 24 -2.599 -6.324 -1.614 1.00 0.00 C ATOM 114 OE1 GLU A 24 -3.701 -6.280 -1.027 1.00 0.00 O ATOM 115 OE2 GLU A 24 -1.715 -5.454 -1.480 1.00 0.00 O ATOM 0 H GLU A 24 -4.185 -5.905 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.066 -7.840 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.314 -7.148 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.785 -8.813 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.123 -8.383 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.414 -7.291 -3.107 1.00 0.00 H new ATOM 122 N SER A 25 -3.920 -9.696 -5.719 1.00 0.00 N ATOM 123 CA SER A 25 -4.737 -10.614 -6.511 1.00 0.00 C ATOM 124 C SER A 25 -4.116 -11.034 -7.857 1.00 0.00 C ATOM 125 O SER A 25 -4.552 -12.040 -8.416 1.00 0.00 O ATOM 126 CB SER A 25 -6.132 -10.025 -6.745 1.00 0.00 C ATOM 127 OG SER A 25 -6.564 -9.271 -5.621 1.00 0.00 O ATOM 0 H SER A 25 -3.292 -10.157 -5.060 1.00 0.00 H new ATOM 0 HA SER A 25 -4.800 -11.524 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.118 -9.389 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.841 -10.829 -6.942 1.00 0.00 H new ATOM 0 HG SER A 25 -6.352 -8.324 -5.761 1.00 0.00 H new ATOM 205 N VAL A 31 -7.659 -7.519 -7.861 1.00 0.00 N ATOM 206 CA VAL A 31 -8.200 -6.451 -7.024 1.00 0.00 C ATOM 207 C VAL A 31 -7.135 -5.392 -6.774 1.00 0.00 C ATOM 208 O VAL A 31 -6.381 -5.461 -5.781 1.00 0.00 O ATOM 209 CB VAL A 31 -8.691 -6.984 -5.666 1.00 0.00 C ATOM 210 CG1 VAL A 31 -9.674 -6.022 -5.026 1.00 0.00 C ATOM 211 CG2 VAL A 31 -9.310 -8.369 -5.812 1.00 0.00 C ATOM 0 HA VAL A 31 -9.047 -6.020 -7.558 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.824 -7.068 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.005 -6.423 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.190 -5.058 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.535 -5.892 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.648 -8.721 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.159 -8.318 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.566 -9.060 -6.209 1.00 0.00 H new ATOM 221 N GLY A 32 -7.140 -4.353 -7.590 1.00 0.00 N ATOM 222 CA GLY A 32 -6.228 -3.258 -7.382 1.00 0.00 C ATOM 223 C GLY A 32 -7.012 -1.983 -7.485 1.00 0.00 C ATOM 224 O GLY A 32 -7.494 -1.600 -8.534 1.00 0.00 O ATOM 0 H GLY A 32 -7.761 -4.250 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.753 -3.337 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.431 -3.278 -8.126 1.00 0.00 H new ATOM 228 N ILE A 33 -7.103 -1.285 -6.402 1.00 0.00 N ATOM 229 CA ILE A 33 -7.848 -0.054 -6.390 1.00 0.00 C ATOM 230 C ILE A 33 -7.477 0.764 -5.209 1.00 0.00 C ATOM 231 O ILE A 33 -6.537 0.472 -4.465 1.00 0.00 O ATOM 232 CB ILE A 33 -9.398 -0.204 -6.463 1.00 0.00 C ATOM 233 CG1 ILE A 33 -9.773 -1.645 -6.713 1.00 0.00 C ATOM 234 CG2 ILE A 33 -9.980 0.715 -7.536 1.00 0.00 C ATOM 235 CD1 ILE A 33 -10.044 -2.015 -8.162 1.00 0.00 C ATOM 0 H ILE A 33 -6.675 -1.539 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.565 0.447 -7.316 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.824 0.095 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.970 -2.280 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -10.662 -1.877 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.063 0.594 -7.570 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.738 1.751 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.555 0.456 -8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.304 -3.072 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.870 -1.415 -8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.152 -1.824 -8.759 1.00 0.00 H new ATOM 247 N LYS A 34 -8.228 1.799 -5.087 1.00 0.00 N ATOM 248 CA LYS A 34 -8.084 2.706 -3.973 1.00 0.00 C ATOM 249 C LYS A 34 -8.807 2.010 -2.829 1.00 0.00 C ATOM 250 O LYS A 34 -9.972 1.640 -2.969 1.00 0.00 O ATOM 251 CB LYS A 34 -8.715 4.068 -4.274 1.00 0.00 C ATOM 252 CG LYS A 34 -7.716 5.108 -4.758 1.00 0.00 C ATOM 253 CD LYS A 34 -8.156 5.744 -6.068 1.00 0.00 C ATOM 254 CE LYS A 34 -7.198 6.840 -6.504 1.00 0.00 C ATOM 255 NZ LYS A 34 -7.359 8.075 -5.688 1.00 0.00 N ATOM 0 H LYS A 34 -8.962 2.053 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.039 2.913 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.490 3.941 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.206 4.439 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.600 5.882 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.740 4.641 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.214 4.980 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.158 6.159 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.172 6.480 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.368 7.074 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.724 8.815 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.344 8.404 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.122 7.869 -4.696 1.00 0.00 H new ATOM 269 N GLY A 35 -8.112 1.761 -1.733 1.00 0.00 N ATOM 270 CA GLY A 35 -8.723 1.020 -0.653 1.00 0.00 C ATOM 271 C GLY A 35 -8.309 1.440 0.738 1.00 0.00 C ATOM 272 O GLY A 35 -7.463 2.317 0.928 1.00 0.00 O ATOM 0 H GLY A 35 -7.148 2.054 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.806 1.116 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.486 -0.036 -0.781 1.00 0.00 H new ATOM 276 N GLU A 36 -8.927 0.777 1.709 1.00 0.00 N ATOM 277 CA GLU A 36 -8.658 1.023 3.119 1.00 0.00 C ATOM 278 C GLU A 36 -7.920 -0.167 3.730 1.00 0.00 C ATOM 279 O GLU A 36 -8.126 -1.320 3.309 1.00 0.00 O ATOM 280 CB GLU A 36 -9.963 1.276 3.875 1.00 0.00 C ATOM 281 CG GLU A 36 -10.638 2.585 3.500 1.00 0.00 C ATOM 282 CD GLU A 36 -11.733 2.403 2.467 1.00 0.00 C ATOM 283 OE1 GLU A 36 -11.464 1.777 1.420 1.00 0.00 O ATOM 284 OE2 GLU A 36 -12.861 2.883 2.706 1.00 0.00 O ATOM 0 H GLU A 36 -9.627 0.055 1.540 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.029 1.909 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.651 0.453 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.759 1.275 4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.061 3.041 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.890 3.277 3.113 1.00 0.00 H new ATOM 291 N VAL A 37 -7.054 0.120 4.716 1.00 0.00 N ATOM 292 CA VAL A 37 -6.274 -0.932 5.376 1.00 0.00 C ATOM 293 C VAL A 37 -6.478 -0.962 6.889 1.00 0.00 C ATOM 294 O VAL A 37 -6.256 0.029 7.582 1.00 0.00 O ATOM 295 CB VAL A 37 -4.767 -0.779 5.108 1.00 0.00 C ATOM 296 CG1 VAL A 37 -4.467 -0.871 3.624 1.00 0.00 C ATOM 297 CG2 VAL A 37 -4.246 0.530 5.680 1.00 0.00 C ATOM 0 H VAL A 37 -6.880 1.061 5.068 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.641 -1.864 4.947 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.253 -1.599 5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.395 -0.760 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.792 -1.840 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.998 -0.079 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.178 0.616 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.771 1.365 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.414 0.549 6.757 1.00 0.00 H new ATOM 307 N VAL A 38 -6.861 -2.129 7.398 1.00 0.00 N ATOM 308 CA VAL A 38 -7.061 -2.319 8.832 1.00 0.00 C ATOM 309 C VAL A 38 -6.269 -3.528 9.338 1.00 0.00 C ATOM 310 O VAL A 38 -6.340 -4.610 8.753 1.00 0.00 O ATOM 311 CB VAL A 38 -8.551 -2.517 9.169 1.00 0.00 C ATOM 312 CG1 VAL A 38 -8.764 -2.514 10.675 1.00 0.00 C ATOM 313 CG2 VAL A 38 -9.398 -1.445 8.501 1.00 0.00 C ATOM 0 H VAL A 38 -7.040 -2.961 6.836 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.702 -1.417 9.328 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.865 -3.487 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.823 -2.655 10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.190 -3.324 11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.433 -1.561 11.087 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.447 -1.602 8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.084 -0.462 8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.270 -1.502 7.420 1.00 0.00 H new ATOM 395 N THR A 44 -1.234 -9.178 10.361 1.00 0.00 N ATOM 396 CA THR A 44 -1.800 -9.424 9.044 1.00 0.00 C ATOM 397 C THR A 44 -2.665 -8.232 8.679 1.00 0.00 C ATOM 398 O THR A 44 -3.376 -7.706 9.537 1.00 0.00 O ATOM 399 CB THR A 44 -2.630 -10.709 9.036 1.00 0.00 C ATOM 400 OG1 THR A 44 -1.869 -11.798 9.527 1.00 0.00 O ATOM 401 CG2 THR A 44 -3.139 -11.086 7.663 1.00 0.00 C ATOM 0 HA THR A 44 -1.000 -9.551 8.315 1.00 0.00 H new ATOM 0 HB THR A 44 -3.487 -10.504 9.677 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.306 -11.495 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.719 -12.006 7.730 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.771 -10.286 7.277 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.294 -11.238 6.991 1.00 0.00 H new ATOM 409 N LEU A 45 -2.596 -7.775 7.435 1.00 0.00 N ATOM 410 CA LEU A 45 -3.377 -6.609 7.053 1.00 0.00 C ATOM 411 C LEU A 45 -4.481 -6.951 6.071 1.00 0.00 C ATOM 412 O LEU A 45 -4.221 -7.475 4.987 1.00 0.00 O ATOM 413 CB LEU A 45 -2.460 -5.542 6.449 1.00 0.00 C ATOM 414 CG LEU A 45 -2.694 -4.119 6.958 1.00 0.00 C ATOM 415 CD1 LEU A 45 -4.157 -3.732 6.817 1.00 0.00 C ATOM 416 CD2 LEU A 45 -2.233 -3.981 8.401 1.00 0.00 C ATOM 0 H LEU A 45 -2.025 -8.181 6.694 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.850 -6.226 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.425 -5.818 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.585 -5.549 5.366 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.103 -3.436 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.302 -2.716 7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.447 -3.783 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.773 -4.419 7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.409 -2.961 8.743 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.791 -4.676 9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.169 -4.207 8.466 1.00 0.00 H new ATOM 427 N LYS A 46 -5.710 -6.613 6.431 1.00 0.00 N ATOM 428 CA LYS A 46 -6.840 -6.841 5.554 1.00 0.00 C ATOM 429 C LYS A 46 -7.070 -5.569 4.761 1.00 0.00 C ATOM 430 O LYS A 46 -7.227 -4.490 5.342 1.00 0.00 O ATOM 431 CB LYS A 46 -8.089 -7.210 6.358 1.00 0.00 C ATOM 432 CG LYS A 46 -8.553 -8.642 6.140 1.00 0.00 C ATOM 433 CD LYS A 46 -10.043 -8.707 5.845 1.00 0.00 C ATOM 434 CE LYS A 46 -10.386 -7.993 4.549 1.00 0.00 C ATOM 435 NZ LYS A 46 -10.432 -8.929 3.392 1.00 0.00 N ATOM 0 H LYS A 46 -5.946 -6.181 7.324 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.633 -7.675 4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.886 -7.060 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.898 -6.530 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.998 -9.083 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.330 -9.236 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.357 -9.749 5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.598 -8.256 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.351 -7.497 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.647 -7.215 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.296 -8.397 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.677 -9.638 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.355 -9.407 3.369 1.00 0.00 H new ATOM 449 N ILE A 47 -7.056 -5.674 3.443 1.00 0.00 N ATOM 450 CA ILE A 47 -7.226 -4.497 2.606 1.00 0.00 C ATOM 451 C ILE A 47 -8.302 -4.690 1.559 1.00 0.00 C ATOM 452 O ILE A 47 -8.402 -5.751 0.943 1.00 0.00 O ATOM 453 CB ILE A 47 -5.913 -4.132 1.894 1.00 0.00 C ATOM 454 CG1 ILE A 47 -4.722 -4.306 2.842 1.00 0.00 C ATOM 455 CG2 ILE A 47 -5.980 -2.707 1.364 1.00 0.00 C ATOM 456 CD1 ILE A 47 -3.386 -4.004 2.198 1.00 0.00 C ATOM 0 H ILE A 47 -6.931 -6.549 2.934 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.526 -3.690 3.274 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.774 -4.806 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.856 -3.653 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.713 -5.330 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.044 -2.461 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.805 -2.620 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.139 -2.018 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.589 -4.148 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.230 -4.674 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.376 -2.972 1.849 1.00 0.00 H new ATOM 468 N MET A 48 -9.095 -3.653 1.337 1.00 0.00 N ATOM 469 CA MET A 48 -10.149 -3.723 0.323 1.00 0.00 C ATOM 470 C MET A 48 -9.952 -2.591 -0.675 1.00 0.00 C ATOM 471 O MET A 48 -9.880 -1.427 -0.257 1.00 0.00 O ATOM 472 CB MET A 48 -11.530 -3.610 0.978 1.00 0.00 C ATOM 473 CG MET A 48 -12.678 -3.489 -0.015 1.00 0.00 C ATOM 474 SD MET A 48 -14.202 -2.906 0.753 1.00 0.00 S ATOM 475 CE MET A 48 -14.705 -4.364 1.663 1.00 0.00 C ATOM 0 H MET A 48 -9.035 -2.764 1.834 1.00 0.00 H new ATOM 0 HA MET A 48 -10.092 -4.682 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 48 -11.696 -4.486 1.605 1.00 0.00 H new ATOM 0 HB3 MET A 48 -11.539 -2.741 1.636 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.392 -2.803 -0.813 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.857 -4.460 -0.478 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.607 -4.143 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.908 -5.177 0.965 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.907 -4.661 2.344 1.00 0.00 H new ATOM 485 N THR A 49 -9.843 -2.894 -1.983 1.00 0.00 N ATOM 486 CA THR A 49 -9.632 -1.832 -2.947 1.00 0.00 C ATOM 487 C THR A 49 -10.941 -1.414 -3.613 1.00 0.00 C ATOM 488 O THR A 49 -11.433 -0.306 -3.401 1.00 0.00 O ATOM 489 CB THR A 49 -8.617 -2.290 -3.982 1.00 0.00 C ATOM 490 OG1 THR A 49 -9.120 -3.388 -4.720 1.00 0.00 O ATOM 491 CG2 THR A 49 -7.294 -2.707 -3.376 1.00 0.00 C ATOM 0 H THR A 49 -9.897 -3.835 -2.373 1.00 0.00 H new ATOM 0 HA THR A 49 -9.246 -0.956 -2.426 1.00 0.00 H new ATOM 0 HB THR A 49 -8.446 -1.427 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.403 -3.770 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.615 -3.023 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.858 -1.865 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.455 -3.534 -2.685 1.00 0.00 H new ATOM 499 N GLU A 50 -11.495 -2.307 -4.417 1.00 0.00 N ATOM 500 CA GLU A 50 -12.748 -2.049 -5.119 1.00 0.00 C ATOM 501 C GLU A 50 -13.185 -3.304 -5.856 1.00 0.00 C ATOM 502 O GLU A 50 -14.356 -3.680 -5.807 1.00 0.00 O ATOM 503 CB GLU A 50 -12.605 -0.877 -6.093 1.00 0.00 C ATOM 504 CG GLU A 50 -13.842 0.003 -6.175 1.00 0.00 C ATOM 505 CD GLU A 50 -13.702 1.108 -7.205 1.00 0.00 C ATOM 506 OE1 GLU A 50 -12.683 1.829 -7.167 1.00 0.00 O ATOM 507 OE2 GLU A 50 -14.611 1.251 -8.050 1.00 0.00 O ATOM 0 H GLU A 50 -11.094 -3.226 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.508 -1.778 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.755 -0.266 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.380 -1.266 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.706 -0.613 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.035 0.444 -5.197 1.00 0.00 H new ATOM 514 N LYS A 51 -12.234 -3.987 -6.501 1.00 0.00 N ATOM 515 CA LYS A 51 -12.558 -5.225 -7.186 1.00 0.00 C ATOM 516 C LYS A 51 -12.859 -6.303 -6.147 1.00 0.00 C ATOM 517 O LYS A 51 -13.339 -7.388 -6.475 1.00 0.00 O ATOM 518 CB LYS A 51 -11.403 -5.659 -8.092 1.00 0.00 C ATOM 519 CG LYS A 51 -11.787 -5.774 -9.557 1.00 0.00 C ATOM 520 CD LYS A 51 -12.833 -6.854 -9.778 1.00 0.00 C ATOM 521 CE LYS A 51 -13.164 -7.016 -11.253 1.00 0.00 C ATOM 522 NZ LYS A 51 -13.332 -8.447 -11.631 1.00 0.00 N ATOM 0 H LYS A 51 -11.256 -3.705 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.435 -5.072 -7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.587 -4.943 -7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.025 -6.622 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.171 -4.817 -9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.900 -5.999 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.469 -7.801 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.739 -6.603 -9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.079 -6.470 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.370 -6.573 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.557 -8.514 -12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.450 -8.963 -11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.107 -8.864 -11.076 1.00 0.00 H new ATOM 536 N GLY A 52 -12.571 -5.981 -4.881 1.00 0.00 N ATOM 537 CA GLY A 52 -12.809 -6.904 -3.794 1.00 0.00 C ATOM 538 C GLY A 52 -11.914 -6.634 -2.594 1.00 0.00 C ATOM 539 O GLY A 52 -11.087 -5.712 -2.606 1.00 0.00 O ATOM 0 H GLY A 52 -12.173 -5.086 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.853 -6.837 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.644 -7.923 -4.144 1.00 0.00 H new ATOM 543 N LEU A 53 -12.083 -7.454 -1.563 1.00 0.00 N ATOM 544 CA LEU A 53 -11.297 -7.339 -0.344 1.00 0.00 C ATOM 545 C LEU A 53 -10.642 -8.678 -0.019 1.00 0.00 C ATOM 546 O LEU A 53 -11.295 -9.720 -0.058 1.00 0.00 O ATOM 547 CB LEU A 53 -12.179 -6.887 0.825 1.00 0.00 C ATOM 548 CG LEU A 53 -12.955 -8.004 1.530 1.00 0.00 C ATOM 549 CD1 LEU A 53 -13.640 -7.472 2.781 1.00 0.00 C ATOM 550 CD2 LEU A 53 -13.971 -8.624 0.584 1.00 0.00 C ATOM 0 H LEU A 53 -12.765 -8.212 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.520 -6.590 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.550 -6.384 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.891 -6.149 0.457 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.249 -8.778 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.186 -8.280 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.890 -7.076 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.335 -6.679 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.513 -9.416 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.674 -7.859 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.455 -9.042 -0.281 1.00 0.00 H new ATOM 562 N LYS A 54 -9.358 -8.647 0.304 1.00 0.00 N ATOM 563 CA LYS A 54 -8.639 -9.864 0.631 1.00 0.00 C ATOM 564 C LYS A 54 -7.637 -9.640 1.761 1.00 0.00 C ATOM 565 O LYS A 54 -7.407 -8.510 2.196 1.00 0.00 O ATOM 566 CB LYS A 54 -7.922 -10.406 -0.609 1.00 0.00 C ATOM 567 CG LYS A 54 -8.331 -11.824 -0.976 1.00 0.00 C ATOM 568 CD LYS A 54 -8.847 -11.907 -2.404 1.00 0.00 C ATOM 569 CE LYS A 54 -8.347 -13.160 -3.106 1.00 0.00 C ATOM 570 NZ LYS A 54 -6.963 -12.991 -3.625 1.00 0.00 N ATOM 0 H LYS A 54 -8.797 -7.796 0.346 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.369 -10.597 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.126 -9.748 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.846 -10.380 -0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.477 -12.491 -0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.103 -12.170 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.937 -11.902 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.527 -11.025 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.374 -14.000 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.016 -13.406 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.660 -13.867 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.941 -12.206 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.319 -12.782 -2.835 1.00 0.00 H new ATOM 584 N VAL A 55 -7.040 -10.736 2.222 1.00 0.00 N ATOM 585 CA VAL A 55 -6.053 -10.684 3.291 1.00 0.00 C ATOM 586 C VAL A 55 -4.647 -10.848 2.727 1.00 0.00 C ATOM 587 O VAL A 55 -4.381 -11.764 1.950 1.00 0.00 O ATOM 588 CB VAL A 55 -6.303 -11.776 4.348 1.00 0.00 C ATOM 589 CG1 VAL A 55 -7.617 -11.528 5.072 1.00 0.00 C ATOM 590 CG2 VAL A 55 -6.293 -13.156 3.705 1.00 0.00 C ATOM 0 H VAL A 55 -7.226 -11.674 1.868 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.147 -9.709 3.769 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.497 -11.736 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.776 -12.310 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.582 -10.558 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.436 -11.538 4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.471 -13.914 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.076 -13.211 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.324 -13.333 3.237 1.00 0.00 H new ATOM 600 N VAL A 56 -3.757 -9.944 3.111 1.00 0.00 N ATOM 601 CA VAL A 56 -2.386 -9.974 2.633 1.00 0.00 C ATOM 602 C VAL A 56 -1.371 -9.779 3.761 1.00 0.00 C ATOM 603 O VAL A 56 -1.676 -9.232 4.826 1.00 0.00 O ATOM 604 CB VAL A 56 -2.148 -8.897 1.560 1.00 0.00 C ATOM 605 CG1 VAL A 56 -2.897 -9.242 0.282 1.00 0.00 C ATOM 606 CG2 VAL A 56 -2.561 -7.528 2.077 1.00 0.00 C ATOM 0 H VAL A 56 -3.963 -9.179 3.754 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.239 -10.964 2.202 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.083 -8.866 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.717 -8.469 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.547 -10.202 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.965 -9.302 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.385 -6.779 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.620 -7.541 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.974 -7.281 2.962 1.00 0.00 H new ATOM 679 N ARG A 61 2.953 -9.624 -3.655 1.00 0.00 N ATOM 680 CA ARG A 61 1.908 -8.608 -3.861 1.00 0.00 C ATOM 681 C ARG A 61 2.500 -7.226 -3.609 1.00 0.00 C ATOM 682 O ARG A 61 3.562 -7.118 -2.990 1.00 0.00 O ATOM 683 CB ARG A 61 0.709 -8.840 -2.933 1.00 0.00 C ATOM 684 CG ARG A 61 -0.400 -9.664 -3.571 1.00 0.00 C ATOM 685 CD ARG A 61 -1.114 -10.532 -2.547 1.00 0.00 C ATOM 686 NE ARG A 61 -0.921 -11.955 -2.808 1.00 0.00 N ATOM 687 CZ ARG A 61 -1.716 -12.913 -2.334 1.00 0.00 C ATOM 688 NH1 ARG A 61 -2.758 -12.603 -1.572 1.00 0.00 N ATOM 689 NH2 ARG A 61 -1.465 -14.183 -2.620 1.00 0.00 N ATOM 0 HA ARG A 61 1.551 -8.681 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.051 -9.344 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.304 -7.875 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.119 -8.999 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.020 -10.295 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.746 -10.293 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.180 -10.303 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.130 -12.233 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.953 -11.627 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.364 -13.340 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.664 -14.426 -3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.073 -14.917 -2.257 1.00 0.00 H new ATOM 703 N THR A 62 1.836 -6.160 -4.066 1.00 0.00 N ATOM 704 CA THR A 62 2.376 -4.822 -3.838 1.00 0.00 C ATOM 705 C THR A 62 1.366 -3.943 -3.120 1.00 0.00 C ATOM 706 O THR A 62 0.260 -3.736 -3.610 1.00 0.00 O ATOM 707 CB THR A 62 2.776 -4.177 -5.167 1.00 0.00 C ATOM 708 OG1 THR A 62 3.001 -5.167 -6.155 1.00 0.00 O ATOM 709 CG2 THR A 62 4.029 -3.333 -5.070 1.00 0.00 C ATOM 0 H THR A 62 0.955 -6.195 -4.578 1.00 0.00 H new ATOM 0 HA THR A 62 3.260 -4.918 -3.207 1.00 0.00 H new ATOM 0 HB THR A 62 1.942 -3.530 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.254 -4.736 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.256 -2.905 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.872 -2.530 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.862 -3.955 -4.744 1.00 0.00 H new ATOM 717 N PHE A 63 1.751 -3.402 -1.972 1.00 0.00 N ATOM 718 CA PHE A 63 0.853 -2.532 -1.221 1.00 0.00 C ATOM 719 C PHE A 63 1.554 -1.231 -0.803 1.00 0.00 C ATOM 720 O PHE A 63 2.714 -1.241 -0.392 1.00 0.00 O ATOM 721 CB PHE A 63 0.310 -3.254 0.021 1.00 0.00 C ATOM 722 CG PHE A 63 1.120 -4.448 0.447 1.00 0.00 C ATOM 723 CD1 PHE A 63 2.468 -4.319 0.736 1.00 0.00 C ATOM 724 CD2 PHE A 63 0.533 -5.699 0.553 1.00 0.00 C ATOM 725 CE1 PHE A 63 3.214 -5.415 1.127 1.00 0.00 C ATOM 726 CE2 PHE A 63 1.274 -6.797 0.941 1.00 0.00 C ATOM 727 CZ PHE A 63 2.618 -6.655 1.228 1.00 0.00 C ATOM 0 H PHE A 63 2.666 -3.546 -1.544 1.00 0.00 H new ATOM 0 HA PHE A 63 0.020 -2.278 -1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.266 -2.546 0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.712 -3.576 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.942 -3.352 0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.517 -5.816 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.264 -5.301 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.804 -7.766 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.201 -7.513 1.531 1.00 0.00 H new ATOM 737 N ARG A 64 0.836 -0.116 -0.886 1.00 0.00 N ATOM 738 CA ARG A 64 1.373 1.185 -0.483 1.00 0.00 C ATOM 739 C ARG A 64 0.437 1.789 0.552 1.00 0.00 C ATOM 740 O ARG A 64 -0.765 1.873 0.303 1.00 0.00 O ATOM 741 CB ARG A 64 1.504 2.115 -1.692 1.00 0.00 C ATOM 742 CG ARG A 64 2.811 1.945 -2.450 1.00 0.00 C ATOM 743 CD ARG A 64 2.583 1.877 -3.951 1.00 0.00 C ATOM 744 NE ARG A 64 3.797 1.498 -4.670 1.00 0.00 N ATOM 745 CZ ARG A 64 3.807 1.057 -5.926 1.00 0.00 C ATOM 746 NH1 ARG A 64 2.673 0.940 -6.604 1.00 0.00 N ATOM 747 NH2 ARG A 64 4.956 0.733 -6.505 1.00 0.00 N ATOM 0 H ARG A 64 -0.124 -0.084 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 64 2.368 1.056 -0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.672 1.932 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.420 3.149 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.476 2.777 -2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.310 1.036 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.794 1.156 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.236 2.846 -4.310 1.00 0.00 H new ATOM 0 HE ARG A 64 4.689 1.576 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.787 1.188 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.687 0.602 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.831 0.822 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.965 0.395 -7.467 1.00 0.00 H new ATOM 761 N VAL A 65 0.946 2.173 1.722 1.00 0.00 N ATOM 762 CA VAL A 65 0.072 2.706 2.766 1.00 0.00 C ATOM 763 C VAL A 65 0.446 4.107 3.260 1.00 0.00 C ATOM 764 O VAL A 65 1.616 4.421 3.482 1.00 0.00 O ATOM 765 CB VAL A 65 0.035 1.754 3.978 1.00 0.00 C ATOM 766 CG1 VAL A 65 -0.364 0.349 3.541 1.00 0.00 C ATOM 767 CG2 VAL A 65 1.380 1.735 4.692 1.00 0.00 C ATOM 0 H VAL A 65 1.935 2.127 1.968 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.907 2.787 2.294 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.714 2.121 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.385 -0.310 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.353 0.377 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.360 -0.027 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.330 1.057 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.153 1.396 4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.621 2.739 5.041 1.00 0.00 H new ATOM 777 N TRP A 66 -0.594 4.919 3.469 1.00 0.00 N ATOM 778 CA TRP A 66 -0.464 6.276 3.981 1.00 0.00 C ATOM 779 C TRP A 66 -1.318 6.440 5.246 1.00 0.00 C ATOM 780 O TRP A 66 -2.531 6.188 5.237 1.00 0.00 O ATOM 781 CB TRP A 66 -0.919 7.311 2.947 1.00 0.00 C ATOM 782 CG TRP A 66 -0.464 7.046 1.546 1.00 0.00 C ATOM 783 CD1 TRP A 66 0.802 7.171 1.053 1.00 0.00 C ATOM 784 CD2 TRP A 66 -1.286 6.638 0.446 1.00 0.00 C ATOM 785 NE1 TRP A 66 0.818 6.867 -0.289 1.00 0.00 N ATOM 786 CE2 TRP A 66 -0.454 6.536 -0.682 1.00 0.00 C ATOM 787 CE3 TRP A 66 -2.646 6.346 0.307 1.00 0.00 C ATOM 788 CZ2 TRP A 66 -0.940 6.159 -1.931 1.00 0.00 C ATOM 789 CZ3 TRP A 66 -3.126 5.971 -0.926 1.00 0.00 C ATOM 790 CH2 TRP A 66 -2.277 5.882 -2.033 1.00 0.00 C ATOM 0 H TRP A 66 -1.559 4.645 3.284 1.00 0.00 H new ATOM 0 HA TRP A 66 0.589 6.443 4.207 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.008 7.358 2.957 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.555 8.292 3.252 1.00 0.00 H new ATOM 0 HD1 TRP A 66 1.665 7.465 1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.640 6.885 -0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.310 6.414 1.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -0.286 6.088 -2.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.175 5.742 -1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -2.684 5.588 -2.989 1.00 0.00 H new ATOM 801 N TYR A 67 -0.674 6.870 6.324 1.00 0.00 N ATOM 802 CA TYR A 67 -1.356 7.080 7.594 1.00 0.00 C ATOM 803 C TYR A 67 -1.402 8.566 7.935 1.00 0.00 C ATOM 804 O TYR A 67 -0.823 9.391 7.227 1.00 0.00 O ATOM 805 CB TYR A 67 -0.646 6.315 8.713 1.00 0.00 C ATOM 806 CG TYR A 67 -0.843 4.817 8.648 1.00 0.00 C ATOM 807 CD1 TYR A 67 -0.438 4.092 7.535 1.00 0.00 C ATOM 808 CD2 TYR A 67 -1.431 4.129 9.702 1.00 0.00 C ATOM 809 CE1 TYR A 67 -0.614 2.722 7.474 1.00 0.00 C ATOM 810 CE2 TYR A 67 -1.610 2.760 9.648 1.00 0.00 C ATOM 811 CZ TYR A 67 -1.200 2.061 8.533 1.00 0.00 C ATOM 812 OH TYR A 67 -1.377 0.698 8.476 1.00 0.00 O ATOM 0 H TYR A 67 0.324 7.081 6.343 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.376 6.707 7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.421 6.534 8.670 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.007 6.678 9.675 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.022 4.606 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.753 4.673 10.578 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.294 2.172 6.601 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.069 2.240 10.476 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.172 0.493 7.940 1.00 0.00 H new ATOM 822 N LYS A 68 -2.086 8.901 9.021 1.00 0.00 N ATOM 823 CA LYS A 68 -2.197 10.289 9.450 1.00 0.00 C ATOM 824 C LYS A 68 -0.951 10.715 10.223 1.00 0.00 C ATOM 825 O LYS A 68 -1.033 11.108 11.386 1.00 0.00 O ATOM 826 CB LYS A 68 -3.446 10.480 10.315 1.00 0.00 C ATOM 827 CG LYS A 68 -4.735 10.546 9.511 1.00 0.00 C ATOM 828 CD LYS A 68 -5.703 11.564 10.092 1.00 0.00 C ATOM 829 CE LYS A 68 -6.827 11.881 9.119 1.00 0.00 C ATOM 830 NZ LYS A 68 -7.607 10.665 8.758 1.00 0.00 N ATOM 0 H LYS A 68 -2.571 8.233 9.620 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.284 10.916 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.514 9.659 11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.341 11.397 10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.507 10.807 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.206 9.563 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.123 11.180 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.165 12.479 10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.493 12.621 9.562 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.411 12.327 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.433 10.939 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.007 10.018 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.926 10.187 9.625 1.00 0.00 H new ATOM 844 N GLY A 69 0.202 10.631 9.566 1.00 0.00 N ATOM 845 CA GLY A 69 1.450 11.009 10.205 1.00 0.00 C ATOM 846 C GLY A 69 2.662 10.721 9.339 1.00 0.00 C ATOM 847 O GLY A 69 3.508 11.591 9.140 1.00 0.00 O ATOM 0 H GLY A 69 0.294 10.308 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.424 12.072 10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.547 10.473 11.149 1.00 0.00 H new ATOM 851 N LYS A 70 2.749 9.496 8.827 1.00 0.00 N ATOM 852 CA LYS A 70 3.873 9.100 7.982 1.00 0.00 C ATOM 853 C LYS A 70 3.410 8.216 6.828 1.00 0.00 C ATOM 854 O LYS A 70 2.300 7.679 6.848 1.00 0.00 O ATOM 855 CB LYS A 70 4.932 8.365 8.809 1.00 0.00 C ATOM 856 CG LYS A 70 4.352 7.475 9.899 1.00 0.00 C ATOM 857 CD LYS A 70 3.710 6.227 9.316 1.00 0.00 C ATOM 858 CE LYS A 70 3.145 5.331 10.407 1.00 0.00 C ATOM 859 NZ LYS A 70 2.365 6.106 11.411 1.00 0.00 N ATOM 0 H LYS A 70 2.057 8.762 8.982 1.00 0.00 H new ATOM 0 HA LYS A 70 4.312 10.007 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.542 7.756 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.596 9.099 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.141 7.189 10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.611 8.034 10.470 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.913 6.513 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.448 5.674 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.506 4.571 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.961 4.807 10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.779 5.456 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.018 6.615 12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.752 6.789 10.922 1.00 0.00 H new ATOM 873 N ILE A 71 4.265 8.069 5.819 1.00 0.00 N ATOM 874 CA ILE A 71 3.945 7.253 4.655 1.00 0.00 C ATOM 875 C ILE A 71 5.017 6.194 4.406 1.00 0.00 C ATOM 876 O ILE A 71 6.208 6.500 4.364 1.00 0.00 O ATOM 877 CB ILE A 71 3.791 8.119 3.389 1.00 0.00 C ATOM 878 CG1 ILE A 71 5.000 9.042 3.226 1.00 0.00 C ATOM 879 CG2 ILE A 71 2.505 8.928 3.457 1.00 0.00 C ATOM 880 CD1 ILE A 71 5.364 9.311 1.782 1.00 0.00 C ATOM 0 H ILE A 71 5.186 8.506 5.786 1.00 0.00 H new ATOM 0 HA ILE A 71 2.997 6.759 4.869 1.00 0.00 H new ATOM 0 HB ILE A 71 3.740 7.463 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.793 9.990 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.857 8.598 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.409 9.535 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.653 8.252 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.530 9.578 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.230 9.972 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.603 8.370 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.522 9.784 1.277 1.00 0.00 H new ATOM 892 N MET A 72 4.585 4.946 4.239 1.00 0.00 N ATOM 893 CA MET A 72 5.508 3.843 3.990 1.00 0.00 C ATOM 894 C MET A 72 5.039 2.998 2.808 1.00 0.00 C ATOM 895 O MET A 72 3.839 2.852 2.578 1.00 0.00 O ATOM 896 CB MET A 72 5.641 2.971 5.241 1.00 0.00 C ATOM 897 CG MET A 72 7.036 2.982 5.845 1.00 0.00 C ATOM 898 SD MET A 72 7.494 4.596 6.505 1.00 0.00 S ATOM 899 CE MET A 72 9.142 4.256 7.118 1.00 0.00 C ATOM 0 H MET A 72 3.602 4.674 4.272 1.00 0.00 H new ATOM 0 HA MET A 72 6.483 4.263 3.746 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.927 3.314 5.990 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.371 1.945 4.989 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.089 2.240 6.642 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.759 2.686 5.085 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.561 5.161 7.558 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.094 3.473 7.875 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.776 3.926 6.295 1.00 0.00 H new ATOM 909 N ARG A 73 5.988 2.439 2.064 1.00 0.00 N ATOM 910 CA ARG A 73 5.660 1.607 0.909 1.00 0.00 C ATOM 911 C ARG A 73 6.320 0.236 1.022 1.00 0.00 C ATOM 912 O ARG A 73 7.524 0.137 1.258 1.00 0.00 O ATOM 913 CB ARG A 73 6.106 2.295 -0.384 1.00 0.00 C ATOM 914 CG ARG A 73 5.531 3.694 -0.559 1.00 0.00 C ATOM 915 CD ARG A 73 6.612 4.762 -0.490 1.00 0.00 C ATOM 916 NE ARG A 73 6.502 5.723 -1.585 1.00 0.00 N ATOM 917 CZ ARG A 73 6.923 5.485 -2.825 1.00 0.00 C ATOM 918 NH1 ARG A 73 7.480 4.320 -3.133 1.00 0.00 N ATOM 919 NH2 ARG A 73 6.784 6.414 -3.761 1.00 0.00 N ATOM 0 H ARG A 73 6.987 2.546 2.238 1.00 0.00 H new ATOM 0 HA ARG A 73 4.579 1.470 0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.194 2.354 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.809 1.680 -1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.017 3.758 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.786 3.880 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.542 5.288 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.593 4.288 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 73 6.078 6.629 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.587 3.601 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.801 4.144 -4.085 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.355 7.310 -3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.106 6.232 -4.712 1.00 0.00 H new ATOM 933 N ILE A 74 5.529 -0.821 0.848 1.00 0.00 N ATOM 934 CA ILE A 74 6.054 -2.179 0.930 1.00 0.00 C ATOM 935 C ILE A 74 5.756 -2.969 -0.341 1.00 0.00 C ATOM 936 O ILE A 74 4.604 -3.098 -0.756 1.00 0.00 O ATOM 937 CB ILE A 74 5.472 -2.937 2.141 1.00 0.00 C ATOM 938 CG1 ILE A 74 5.508 -2.056 3.394 1.00 0.00 C ATOM 939 CG2 ILE A 74 6.239 -4.230 2.374 1.00 0.00 C ATOM 940 CD1 ILE A 74 4.144 -1.821 4.007 1.00 0.00 C ATOM 0 H ILE A 74 4.530 -0.763 0.651 1.00 0.00 H new ATOM 0 HA ILE A 74 7.134 -2.089 1.051 1.00 0.00 H new ATOM 0 HB ILE A 74 4.432 -3.186 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.156 -2.521 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.954 -1.094 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.817 -4.754 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.163 -4.862 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.287 -4.001 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.246 -1.190 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.499 -1.328 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.704 -2.776 4.293 1.00 0.00 H new ATOM 952 N LYS A 75 6.808 -3.503 -0.952 1.00 0.00 N ATOM 953 CA LYS A 75 6.673 -4.290 -2.172 1.00 0.00 C ATOM 954 C LYS A 75 7.328 -5.657 -2.012 1.00 0.00 C ATOM 955 O LYS A 75 8.480 -5.759 -1.590 1.00 0.00 O ATOM 956 CB LYS A 75 7.299 -3.544 -3.353 1.00 0.00 C ATOM 957 CG LYS A 75 7.188 -4.292 -4.673 1.00 0.00 C ATOM 958 CD LYS A 75 7.454 -3.373 -5.854 1.00 0.00 C ATOM 959 CE LYS A 75 7.725 -4.164 -7.124 1.00 0.00 C ATOM 960 NZ LYS A 75 8.424 -3.342 -8.151 1.00 0.00 N ATOM 0 H LYS A 75 7.768 -3.404 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 75 5.611 -4.439 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.817 -2.572 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.351 -3.358 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.899 -5.118 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.192 -4.726 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.596 -2.718 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.308 -2.733 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.330 -5.038 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.783 -4.530 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.591 -3.917 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.835 -2.521 -8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.335 -3.013 -7.772 1.00 0.00 H new