USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 513 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 6 LYS NZ :NH3+ 164:sc= 0.0151 (180deg=0) USER MOD Single : A 7 MET CE :methyl -143:sc= -2.04 (180deg=-5.31!) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.156) USER MOD Single : A 18 THR OG1 : rot -19:sc= 0.622 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 47 TYR OH : rot 122:sc= 0.411 USER MOD Single : A 48 GLN : amide:sc= -0.0712 K(o=-0.071,f=-0.81) USER MOD Single : A 50 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.26) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 173:sc= -5.49! (180deg=-5.91!) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 2.32 (180deg=2.16) USER MOD Single : A 59 LYS NZ :NH3+ -149:sc= -0.349 (180deg=-2.21!) USER MOD Single : A 60 GLN : amide:sc= -0.954 K(o=-0.95,f=-6.1!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.607 7.275 8.397 1.00 0.00 N ATOM 26 CA VAL A 3 -3.257 7.809 8.262 1.00 0.00 C ATOM 27 C VAL A 3 -2.652 7.304 6.946 1.00 0.00 C ATOM 28 O VAL A 3 -3.089 6.292 6.395 1.00 0.00 O ATOM 29 CB VAL A 3 -2.405 7.392 9.479 1.00 0.00 C ATOM 30 CG1 VAL A 3 -0.942 7.840 9.335 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.952 8.001 10.778 1.00 0.00 C ATOM 0 HA VAL A 3 -3.280 8.898 8.236 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.454 6.304 9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.377 7.526 10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.509 7.386 8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.901 8.926 9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.330 7.688 11.617 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.940 9.088 10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.975 7.659 10.938 1.00 0.00 H new ATOM 41 N VAL A 4 -1.660 8.043 6.439 1.00 0.00 N ATOM 42 CA VAL A 4 -0.946 7.815 5.201 1.00 0.00 C ATOM 43 C VAL A 4 0.238 6.867 5.436 1.00 0.00 C ATOM 44 O VAL A 4 1.113 7.174 6.244 1.00 0.00 O ATOM 45 CB VAL A 4 -0.452 9.190 4.714 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.326 9.025 3.417 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.589 10.196 4.472 1.00 0.00 C ATOM 0 H VAL A 4 -1.319 8.872 6.925 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.591 7.349 4.456 1.00 0.00 H new ATOM 0 HB VAL A 4 0.178 9.588 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.674 10.000 3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.183 8.373 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.321 8.584 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.171 11.143 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.266 9.804 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.138 10.355 5.400 1.00 0.00 H new ATOM 57 N LEU A 5 0.302 5.765 4.682 1.00 0.00 N ATOM 58 CA LEU A 5 1.420 4.823 4.681 1.00 0.00 C ATOM 59 C LEU A 5 2.172 4.927 3.350 1.00 0.00 C ATOM 60 O LEU A 5 1.528 5.082 2.318 1.00 0.00 O ATOM 61 CB LEU A 5 0.884 3.405 4.884 1.00 0.00 C ATOM 62 CG LEU A 5 2.071 2.431 4.960 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.959 1.500 6.156 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.198 1.611 3.679 1.00 0.00 C ATOM 0 H LEU A 5 -0.444 5.499 4.039 1.00 0.00 H new ATOM 0 HA LEU A 5 2.109 5.060 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.294 3.352 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.223 3.130 4.062 1.00 0.00 H new ATOM 0 HG LEU A 5 2.968 3.038 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.816 0.827 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.939 2.088 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.042 0.917 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.046 0.932 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.286 1.034 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.352 2.280 2.832 1.00 0.00 H new ATOM 76 N LYS A 6 3.508 4.811 3.355 1.00 0.00 N ATOM 77 CA LYS A 6 4.353 4.693 2.167 1.00 0.00 C ATOM 78 C LYS A 6 5.035 3.318 2.175 1.00 0.00 C ATOM 79 O LYS A 6 5.687 2.966 3.165 1.00 0.00 O ATOM 80 CB LYS A 6 5.361 5.847 2.099 1.00 0.00 C ATOM 81 CG LYS A 6 5.138 6.721 0.848 1.00 0.00 C ATOM 82 CD LYS A 6 6.453 7.074 0.154 1.00 0.00 C ATOM 83 CE LYS A 6 6.641 8.572 -0.096 1.00 0.00 C ATOM 84 NZ LYS A 6 5.710 9.073 -1.131 1.00 0.00 N ATOM 0 H LYS A 6 4.046 4.797 4.222 1.00 0.00 H new ATOM 0 HA LYS A 6 3.743 4.766 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.272 6.462 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.374 5.446 2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.489 6.194 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.621 7.637 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.282 6.710 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.502 6.548 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.482 9.119 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.668 8.763 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.668 10.111 -1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.045 8.779 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.761 8.681 -0.964 1.00 0.00 H new ATOM 98 N MET A 7 4.842 2.538 1.108 1.00 0.00 N ATOM 99 CA MET A 7 5.404 1.214 0.932 1.00 0.00 C ATOM 100 C MET A 7 6.174 1.103 -0.386 1.00 0.00 C ATOM 101 O MET A 7 5.690 1.479 -1.453 1.00 0.00 O ATOM 102 CB MET A 7 4.298 0.159 1.008 1.00 0.00 C ATOM 103 CG MET A 7 3.127 0.424 0.054 1.00 0.00 C ATOM 104 SD MET A 7 2.204 -1.026 -0.508 1.00 0.00 S ATOM 105 CE MET A 7 3.544 -2.061 -1.121 1.00 0.00 C ATOM 0 H MET A 7 4.267 2.831 0.318 1.00 0.00 H new ATOM 0 HA MET A 7 6.115 1.036 1.739 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.724 -0.819 0.783 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.920 0.114 2.029 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.431 1.102 0.548 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.512 0.945 -0.823 1.00 0.00 H new ATOM 0 HE1 MET A 7 3.213 -2.595 -2.012 1.00 0.00 H new ATOM 0 HE2 MET A 7 4.402 -1.436 -1.370 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.830 -2.779 -0.352 1.00 0.00 H new ATOM 115 N LYS A 8 7.362 0.508 -0.324 1.00 0.00 N ATOM 116 CA LYS A 8 8.128 0.158 -1.499 1.00 0.00 C ATOM 117 C LYS A 8 7.429 -1.002 -2.214 1.00 0.00 C ATOM 118 O LYS A 8 7.118 -2.015 -1.583 1.00 0.00 O ATOM 119 CB LYS A 8 9.570 -0.202 -1.093 1.00 0.00 C ATOM 120 CG LYS A 8 10.581 0.799 -1.664 1.00 0.00 C ATOM 121 CD LYS A 8 10.500 0.832 -3.198 1.00 0.00 C ATOM 122 CE LYS A 8 11.822 0.638 -3.945 1.00 0.00 C ATOM 123 NZ LYS A 8 12.540 1.895 -4.215 1.00 0.00 N ATOM 0 H LYS A 8 7.817 0.257 0.554 1.00 0.00 H new ATOM 0 HA LYS A 8 8.185 1.002 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.649 -0.221 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.809 -1.205 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.384 1.793 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.589 0.524 -1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.806 0.057 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.073 1.789 -3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.466 -0.020 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.624 0.133 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.300 1.720 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.877 2.597 -4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.951 2.257 -3.331 1.00 0.00 H new ATOM 137 N VAL A 9 7.207 -0.852 -3.523 1.00 0.00 N ATOM 138 CA VAL A 9 6.701 -1.898 -4.398 1.00 0.00 C ATOM 139 C VAL A 9 7.846 -2.263 -5.350 1.00 0.00 C ATOM 140 O VAL A 9 7.839 -1.871 -6.516 1.00 0.00 O ATOM 141 CB VAL A 9 5.454 -1.409 -5.168 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.786 -2.598 -5.875 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.380 -0.738 -4.307 1.00 0.00 C ATOM 0 H VAL A 9 7.381 0.027 -4.011 1.00 0.00 H new ATOM 0 HA VAL A 9 6.385 -2.773 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 9 5.833 -0.657 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.907 -2.251 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.490 -3.048 -6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.486 -3.340 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.547 -0.430 -4.939 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.024 -1.442 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.803 0.137 -3.814 1.00 0.00 H new ATOM 153 N GLU A 10 8.858 -2.976 -4.846 1.00 0.00 N ATOM 154 CA GLU A 10 9.988 -3.369 -5.680 1.00 0.00 C ATOM 155 C GLU A 10 9.544 -4.317 -6.800 1.00 0.00 C ATOM 156 O GLU A 10 8.437 -4.861 -6.790 1.00 0.00 O ATOM 157 CB GLU A 10 11.103 -3.991 -4.825 1.00 0.00 C ATOM 158 CG GLU A 10 11.845 -2.946 -3.980 1.00 0.00 C ATOM 159 CD GLU A 10 12.960 -2.239 -4.748 1.00 0.00 C ATOM 160 OE1 GLU A 10 12.680 -1.763 -5.867 1.00 0.00 O ATOM 161 OE2 GLU A 10 14.054 -2.107 -4.163 1.00 0.00 O ATOM 0 H GLU A 10 8.915 -3.288 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 10 10.391 -2.473 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.674 -4.747 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.814 -4.500 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.132 -2.204 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.269 -3.432 -3.101 1.00 0.00 H new ATOM 168 N GLY A 11 10.404 -4.498 -7.805 1.00 0.00 N ATOM 169 CA GLY A 11 10.152 -5.409 -8.915 1.00 0.00 C ATOM 170 C GLY A 11 9.219 -4.807 -9.970 1.00 0.00 C ATOM 171 O GLY A 11 9.456 -4.985 -11.164 1.00 0.00 O ATOM 0 H GLY A 11 11.299 -4.012 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.099 -5.676 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.714 -6.331 -8.532 1.00 0.00 H new ATOM 256 N THR A 18 0.002 -1.591 -11.135 1.00 0.00 N ATOM 257 CA THR A 18 -0.447 -0.407 -10.418 1.00 0.00 C ATOM 258 C THR A 18 -1.941 -0.547 -10.177 1.00 0.00 C ATOM 259 O THR A 18 -2.360 -0.865 -9.073 1.00 0.00 O ATOM 260 CB THR A 18 -0.171 0.847 -11.262 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.484 0.569 -12.617 1.00 0.00 O ATOM 262 CG2 THR A 18 1.281 1.307 -11.166 1.00 0.00 C ATOM 0 HA THR A 18 0.084 -0.311 -9.471 1.00 0.00 H new ATOM 0 HB THR A 18 -0.795 1.652 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.509 -0.401 -12.754 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.422 2.196 -11.781 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.521 1.541 -10.129 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.938 0.513 -11.520 1.00 0.00 H new ATOM 270 N SER A 19 -2.748 -0.328 -11.217 1.00 0.00 N ATOM 271 CA SER A 19 -4.192 -0.189 -11.062 1.00 0.00 C ATOM 272 C SER A 19 -4.828 -1.395 -10.388 1.00 0.00 C ATOM 273 O SER A 19 -5.685 -1.244 -9.519 1.00 0.00 O ATOM 274 CB SER A 19 -4.843 0.165 -12.405 1.00 0.00 C ATOM 275 OG SER A 19 -6.116 0.743 -12.196 1.00 0.00 O ATOM 0 H SER A 19 -2.421 -0.243 -12.179 1.00 0.00 H new ATOM 0 HA SER A 19 -4.378 0.642 -10.381 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.207 0.859 -12.954 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.939 -0.731 -13.018 1.00 0.00 H new ATOM 0 HG SER A 19 -6.520 0.966 -13.061 1.00 0.00 H new ATOM 281 N THR A 20 -4.343 -2.585 -10.729 1.00 0.00 N ATOM 282 CA THR A 20 -4.648 -3.787 -9.988 1.00 0.00 C ATOM 283 C THR A 20 -4.476 -3.581 -8.484 1.00 0.00 C ATOM 284 O THR A 20 -5.420 -3.758 -7.718 1.00 0.00 O ATOM 285 CB THR A 20 -3.740 -4.904 -10.505 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.050 -5.159 -11.859 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.935 -6.156 -9.661 1.00 0.00 C ATOM 0 H THR A 20 -3.728 -2.735 -11.529 1.00 0.00 H new ATOM 0 HA THR A 20 -5.693 -4.057 -10.140 1.00 0.00 H new ATOM 0 HB THR A 20 -2.695 -4.601 -10.431 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.471 -5.873 -12.198 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.287 -6.950 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.684 -5.938 -8.623 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.974 -6.478 -9.723 1.00 0.00 H new ATOM 295 N ILE A 21 -3.258 -3.238 -8.065 1.00 0.00 N ATOM 296 CA ILE A 21 -2.930 -3.009 -6.677 1.00 0.00 C ATOM 297 C ILE A 21 -3.864 -1.924 -6.133 1.00 0.00 C ATOM 298 O ILE A 21 -4.493 -2.146 -5.106 1.00 0.00 O ATOM 299 CB ILE A 21 -1.418 -2.709 -6.566 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.588 -4.003 -6.552 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.015 -1.907 -5.335 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.323 -4.529 -7.955 1.00 0.00 C ATOM 0 H ILE A 21 -2.467 -3.112 -8.697 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.096 -3.884 -6.049 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.212 -2.105 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.361 -3.819 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.113 -4.763 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.063 -1.745 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.526 -0.944 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.293 -2.457 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.266 -5.444 -7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.271 -4.740 -8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.226 -3.781 -8.527 1.00 0.00 H new ATOM 314 N GLU A 22 -4.013 -0.797 -6.834 1.00 0.00 N ATOM 315 CA GLU A 22 -4.828 0.317 -6.386 1.00 0.00 C ATOM 316 C GLU A 22 -6.264 -0.109 -6.120 1.00 0.00 C ATOM 317 O GLU A 22 -6.737 -0.118 -4.991 1.00 0.00 O ATOM 318 CB GLU A 22 -4.774 1.491 -7.372 1.00 0.00 C ATOM 319 CG GLU A 22 -3.401 2.173 -7.358 1.00 0.00 C ATOM 320 CD GLU A 22 -3.439 3.605 -7.880 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.502 4.014 -8.393 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.394 4.271 -7.728 1.00 0.00 O ATOM 0 H GLU A 22 -3.564 -0.638 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.406 0.660 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.994 1.133 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.545 2.218 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.013 2.174 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.706 1.590 -7.963 1.00 0.00 H new ATOM 329 N GLY A 23 -6.952 -0.455 -7.193 1.00 0.00 N ATOM 330 CA GLY A 23 -8.317 -0.950 -7.202 1.00 0.00 C ATOM 331 C GLY A 23 -8.529 -2.052 -6.164 1.00 0.00 C ATOM 332 O GLY A 23 -9.495 -2.003 -5.403 1.00 0.00 O ATOM 0 H GLY A 23 -6.553 -0.395 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.003 -0.127 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.558 -1.334 -8.193 1.00 0.00 H new ATOM 336 N LYS A 24 -7.646 -3.057 -6.127 1.00 0.00 N ATOM 337 CA LYS A 24 -7.792 -4.163 -5.192 1.00 0.00 C ATOM 338 C LYS A 24 -7.680 -3.660 -3.754 1.00 0.00 C ATOM 339 O LYS A 24 -8.581 -3.894 -2.953 1.00 0.00 O ATOM 340 CB LYS A 24 -6.781 -5.281 -5.500 1.00 0.00 C ATOM 341 CG LYS A 24 -7.016 -6.537 -4.647 1.00 0.00 C ATOM 342 CD LYS A 24 -8.222 -7.354 -5.140 1.00 0.00 C ATOM 343 CE LYS A 24 -8.825 -8.158 -3.981 1.00 0.00 C ATOM 344 NZ LYS A 24 -9.948 -9.013 -4.418 1.00 0.00 N ATOM 0 H LYS A 24 -6.828 -3.121 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.785 -4.596 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.846 -5.545 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.771 -4.911 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.123 -7.161 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.176 -6.245 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.975 -6.687 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.912 -8.029 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.051 -8.780 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.172 -7.473 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.323 -9.537 -3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.699 -8.419 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.613 -9.686 -5.137 1.00 0.00 H new ATOM 358 N ILE A 25 -6.587 -2.978 -3.409 1.00 0.00 N ATOM 359 CA ILE A 25 -6.400 -2.349 -2.116 1.00 0.00 C ATOM 360 C ILE A 25 -7.612 -1.478 -1.764 1.00 0.00 C ATOM 361 O ILE A 25 -8.108 -1.539 -0.645 1.00 0.00 O ATOM 362 CB ILE A 25 -5.063 -1.584 -2.171 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.849 -2.518 -2.277 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.909 -0.610 -1.018 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.520 -3.121 -0.927 1.00 0.00 C ATOM 0 H ILE A 25 -5.795 -2.849 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.340 -3.079 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.094 -0.999 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.056 -3.312 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.989 -1.964 -2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.952 -0.096 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.717 0.121 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.948 -1.154 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.657 -3.780 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.291 -2.325 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.375 -3.693 -0.566 1.00 0.00 H new ATOM 377 N GLY A 26 -8.140 -0.741 -2.740 1.00 0.00 N ATOM 378 CA GLY A 26 -9.348 0.062 -2.645 1.00 0.00 C ATOM 379 C GLY A 26 -10.571 -0.705 -2.137 1.00 0.00 C ATOM 380 O GLY A 26 -11.505 -0.080 -1.640 1.00 0.00 O ATOM 0 H GLY A 26 -7.711 -0.688 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.159 0.905 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.575 0.476 -3.628 1.00 0.00 H new ATOM 384 N LYS A 27 -10.598 -2.037 -2.265 1.00 0.00 N ATOM 385 CA LYS A 27 -11.679 -2.861 -1.767 1.00 0.00 C ATOM 386 C LYS A 27 -11.351 -3.387 -0.371 1.00 0.00 C ATOM 387 O LYS A 27 -12.267 -3.794 0.342 1.00 0.00 O ATOM 388 CB LYS A 27 -11.955 -4.000 -2.763 1.00 0.00 C ATOM 389 CG LYS A 27 -13.058 -3.598 -3.749 1.00 0.00 C ATOM 390 CD LYS A 27 -13.385 -4.746 -4.715 1.00 0.00 C ATOM 391 CE LYS A 27 -14.670 -4.424 -5.496 1.00 0.00 C ATOM 392 NZ LYS A 27 -15.053 -5.505 -6.431 1.00 0.00 N ATOM 0 H LYS A 27 -9.857 -2.568 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.586 -2.263 -1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.043 -4.243 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.252 -4.899 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.956 -3.315 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.742 -2.722 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.557 -4.897 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.510 -5.676 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.485 -4.251 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.529 -3.498 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.925 -5.238 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.289 -5.654 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.215 -6.383 -5.898 1.00 0.00 H new ATOM 406 N LEU A 28 -10.077 -3.426 0.036 1.00 0.00 N ATOM 407 CA LEU A 28 -9.729 -3.976 1.316 1.00 0.00 C ATOM 408 C LEU A 28 -10.249 -3.114 2.459 1.00 0.00 C ATOM 409 O LEU A 28 -10.076 -1.894 2.506 1.00 0.00 O ATOM 410 CB LEU A 28 -8.225 -4.139 1.447 1.00 0.00 C ATOM 411 CG LEU A 28 -7.565 -5.248 0.616 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.033 -6.269 1.608 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.476 -6.015 -0.335 1.00 0.00 C ATOM 0 H LEU A 28 -9.287 -3.082 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.202 -4.956 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.758 -3.192 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.995 -4.321 2.497 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.822 -4.752 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.551 -7.084 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.308 -5.792 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.858 -6.664 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.896 -6.770 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.270 -6.500 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.915 -5.324 -1.055 1.00 0.00 H new ATOM 425 N GLN A 29 -10.837 -3.811 3.424 1.00 0.00 N ATOM 426 CA GLN A 29 -11.337 -3.252 4.659 1.00 0.00 C ATOM 427 C GLN A 29 -10.234 -2.452 5.359 1.00 0.00 C ATOM 428 O GLN A 29 -9.225 -3.010 5.784 1.00 0.00 O ATOM 429 CB GLN A 29 -11.943 -4.372 5.512 1.00 0.00 C ATOM 430 CG GLN A 29 -10.884 -5.381 5.958 1.00 0.00 C ATOM 431 CD GLN A 29 -11.464 -6.775 6.156 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.868 -7.419 5.192 1.00 0.00 O ATOM 433 NE2 GLN A 29 -11.509 -7.260 7.392 1.00 0.00 N ATOM 0 H GLN A 29 -10.981 -4.819 3.358 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.140 -2.539 4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.426 -3.941 6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.717 -4.885 4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.088 -5.423 5.214 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.431 -5.042 6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.165 -6.700 8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.887 -8.192 7.561 1.00 0.00 H new ATOM 442 N GLY A 30 -10.421 -1.136 5.453 1.00 0.00 N ATOM 443 CA GLY A 30 -9.510 -0.251 6.153 1.00 0.00 C ATOM 444 C GLY A 30 -8.920 0.804 5.236 1.00 0.00 C ATOM 445 O GLY A 30 -8.567 1.871 5.729 1.00 0.00 O ATOM 0 H GLY A 30 -11.220 -0.656 5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.037 0.236 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.705 -0.837 6.596 1.00 0.00 H new ATOM 449 N VAL A 31 -8.818 0.541 3.929 1.00 0.00 N ATOM 450 CA VAL A 31 -8.278 1.518 3.010 1.00 0.00 C ATOM 451 C VAL A 31 -9.318 2.596 2.748 1.00 0.00 C ATOM 452 O VAL A 31 -10.503 2.309 2.591 1.00 0.00 O ATOM 453 CB VAL A 31 -7.853 0.808 1.714 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.949 1.685 0.466 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.414 0.316 1.843 1.00 0.00 C ATOM 0 H VAL A 31 -9.103 -0.338 3.497 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.399 2.000 3.437 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.552 -0.018 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.632 1.113 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.980 2.013 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.304 2.556 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.117 -0.186 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.754 1.165 2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.342 -0.382 2.677 1.00 0.00 H new ATOM 465 N GLN A 32 -8.833 3.832 2.674 1.00 0.00 N ATOM 466 CA GLN A 32 -9.579 4.975 2.181 1.00 0.00 C ATOM 467 C GLN A 32 -9.113 5.320 0.765 1.00 0.00 C ATOM 468 O GLN A 32 -9.930 5.649 -0.092 1.00 0.00 O ATOM 469 CB GLN A 32 -9.414 6.142 3.146 1.00 0.00 C ATOM 470 CG GLN A 32 -10.497 6.219 4.219 1.00 0.00 C ATOM 471 CD GLN A 32 -11.830 6.777 3.732 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.070 6.916 2.535 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.700 7.116 4.675 1.00 0.00 N ATOM 0 H GLN A 32 -7.884 4.068 2.964 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.642 4.741 2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.441 6.064 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.413 7.072 2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.662 5.220 4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.135 6.840 5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.463 6.985 5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.606 7.508 4.416 1.00 0.00 H new ATOM 482 N ARG A 33 -7.800 5.269 0.499 1.00 0.00 N ATOM 483 CA ARG A 33 -7.259 5.660 -0.794 1.00 0.00 C ATOM 484 C ARG A 33 -5.870 5.044 -0.987 1.00 0.00 C ATOM 485 O ARG A 33 -5.245 4.612 -0.016 1.00 0.00 O ATOM 486 CB ARG A 33 -7.239 7.200 -0.865 1.00 0.00 C ATOM 487 CG ARG A 33 -7.327 7.743 -2.296 1.00 0.00 C ATOM 488 CD ARG A 33 -7.783 9.211 -2.258 1.00 0.00 C ATOM 489 NE ARG A 33 -7.666 9.871 -3.570 1.00 0.00 N ATOM 490 CZ ARG A 33 -8.446 9.641 -4.641 1.00 0.00 C ATOM 491 NH1 ARG A 33 -9.447 8.758 -4.565 1.00 0.00 N ATOM 492 NH2 ARG A 33 -8.216 10.300 -5.783 1.00 0.00 N ATOM 0 H ARG A 33 -7.097 4.958 1.170 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.881 5.288 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.072 7.594 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.323 7.566 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.357 7.665 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.029 7.148 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.819 9.258 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.186 9.755 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.926 10.565 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.620 8.257 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.037 8.585 -5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.452 10.973 -5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.805 10.129 -6.598 1.00 0.00 H new ATOM 506 N ILE A 34 -5.390 5.019 -2.234 1.00 0.00 N ATOM 507 CA ILE A 34 -4.066 4.542 -2.609 1.00 0.00 C ATOM 508 C ILE A 34 -3.569 5.349 -3.808 1.00 0.00 C ATOM 509 O ILE A 34 -4.386 5.840 -4.585 1.00 0.00 O ATOM 510 CB ILE A 34 -4.065 3.020 -2.863 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.645 2.611 -3.310 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.154 2.563 -3.856 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.348 1.111 -3.332 1.00 0.00 C ATOM 0 H ILE A 34 -5.935 5.342 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.371 4.698 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.322 2.507 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.473 3.009 -4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.926 3.093 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.096 1.483 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.137 2.829 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.000 3.055 -4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.322 0.948 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.477 0.700 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.033 0.614 -4.019 1.00 0.00 H new ATOM 525 N LYS A 35 -2.247 5.541 -3.898 1.00 0.00 N ATOM 526 CA LYS A 35 -1.549 6.159 -5.014 1.00 0.00 C ATOM 527 C LYS A 35 -0.238 5.387 -5.236 1.00 0.00 C ATOM 528 O LYS A 35 0.697 5.568 -4.458 1.00 0.00 O ATOM 529 CB LYS A 35 -1.256 7.637 -4.686 1.00 0.00 C ATOM 530 CG LYS A 35 -2.509 8.487 -4.422 1.00 0.00 C ATOM 531 CD LYS A 35 -3.025 8.366 -2.974 1.00 0.00 C ATOM 532 CE LYS A 35 -2.819 9.648 -2.158 1.00 0.00 C ATOM 533 NZ LYS A 35 -3.219 9.460 -0.746 1.00 0.00 N ATOM 0 H LYS A 35 -1.611 5.253 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.157 6.125 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.610 7.681 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.700 8.077 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.284 9.532 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.298 8.184 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.087 8.119 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.514 7.540 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.772 9.946 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.401 10.458 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.067 10.345 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.225 9.199 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.646 8.703 -0.321 1.00 0.00 H new ATOM 547 N VAL A 36 -0.160 4.517 -6.248 1.00 0.00 N ATOM 548 CA VAL A 36 1.040 3.755 -6.599 1.00 0.00 C ATOM 549 C VAL A 36 1.850 4.551 -7.627 1.00 0.00 C ATOM 550 O VAL A 36 1.285 5.064 -8.589 1.00 0.00 O ATOM 551 CB VAL A 36 0.655 2.363 -7.139 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.896 1.537 -7.500 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.140 1.542 -6.119 1.00 0.00 C ATOM 0 H VAL A 36 -0.951 4.319 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 36 1.654 3.599 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 36 0.045 2.557 -8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.587 0.562 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.469 2.058 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.515 1.403 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.387 0.570 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.459 1.400 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.059 2.070 -5.864 1.00 0.00 H new ATOM 563 N SER A 37 3.170 4.668 -7.428 1.00 0.00 N ATOM 564 CA SER A 37 4.045 5.511 -8.233 1.00 0.00 C ATOM 565 C SER A 37 5.168 4.676 -8.860 1.00 0.00 C ATOM 566 O SER A 37 6.138 4.329 -8.183 1.00 0.00 O ATOM 567 CB SER A 37 4.597 6.628 -7.343 1.00 0.00 C ATOM 568 OG SER A 37 5.090 7.694 -8.132 1.00 0.00 O ATOM 0 H SER A 37 3.662 4.168 -6.688 1.00 0.00 H new ATOM 0 HA SER A 37 3.486 5.957 -9.055 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.813 6.992 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.394 6.237 -6.711 1.00 0.00 H new ATOM 0 HG SER A 37 5.437 8.400 -7.548 1.00 0.00 H new ATOM 574 N LEU A 38 5.039 4.363 -10.155 1.00 0.00 N ATOM 575 CA LEU A 38 6.042 3.619 -10.911 1.00 0.00 C ATOM 576 C LEU A 38 7.411 4.280 -10.789 1.00 0.00 C ATOM 577 O LEU A 38 8.344 3.647 -10.304 1.00 0.00 O ATOM 578 CB LEU A 38 5.615 3.493 -12.380 1.00 0.00 C ATOM 579 CG LEU A 38 4.539 2.416 -12.536 1.00 0.00 C ATOM 580 CD1 LEU A 38 3.473 2.863 -13.535 1.00 0.00 C ATOM 581 CD2 LEU A 38 5.216 1.142 -13.043 1.00 0.00 C ATOM 0 H LEU A 38 4.224 4.624 -10.710 1.00 0.00 H new ATOM 0 HA LEU A 38 6.121 2.616 -10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.234 4.450 -12.737 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.479 3.244 -12.996 1.00 0.00 H new ATOM 0 HG LEU A 38 4.053 2.239 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.717 2.084 -13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.005 3.781 -13.181 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.936 3.043 -14.505 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.470 0.357 -13.163 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.692 1.340 -14.003 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.970 0.820 -12.324 1.00 0.00 H new ATOM 593 N ASP A 39 7.523 5.551 -11.189 1.00 0.00 N ATOM 594 CA ASP A 39 8.744 6.347 -11.130 1.00 0.00 C ATOM 595 C ASP A 39 9.476 6.122 -9.818 1.00 0.00 C ATOM 596 O ASP A 39 10.664 5.811 -9.782 1.00 0.00 O ATOM 597 CB ASP A 39 8.392 7.840 -11.202 1.00 0.00 C ATOM 598 CG ASP A 39 7.535 8.186 -12.413 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.440 7.582 -12.503 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.986 9.032 -13.213 1.00 0.00 O ATOM 0 H ASP A 39 6.734 6.069 -11.576 1.00 0.00 H new ATOM 0 HA ASP A 39 9.374 6.047 -11.967 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.863 8.128 -10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.312 8.424 -11.234 1.00 0.00 H new ATOM 605 N ASN A 40 8.735 6.332 -8.728 1.00 0.00 N ATOM 606 CA ASN A 40 9.305 6.337 -7.398 1.00 0.00 C ATOM 607 C ASN A 40 9.527 4.903 -6.890 1.00 0.00 C ATOM 608 O ASN A 40 10.290 4.675 -5.952 1.00 0.00 O ATOM 609 CB ASN A 40 8.417 7.167 -6.459 1.00 0.00 C ATOM 610 CG ASN A 40 9.250 8.020 -5.504 1.00 0.00 C ATOM 611 OD1 ASN A 40 9.804 7.525 -4.529 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.327 9.323 -5.762 1.00 0.00 N ATOM 0 H ASN A 40 7.729 6.502 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 40 10.288 6.807 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.765 7.812 -7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.772 6.502 -5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.857 9.935 -5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.857 9.710 -6.580 1.00 0.00 H new ATOM 619 N GLN A 41 8.836 3.931 -7.507 1.00 0.00 N ATOM 620 CA GLN A 41 8.815 2.503 -7.166 1.00 0.00 C ATOM 621 C GLN A 41 8.172 2.276 -5.798 1.00 0.00 C ATOM 622 O GLN A 41 8.344 1.245 -5.148 1.00 0.00 O ATOM 623 CB GLN A 41 10.217 1.899 -7.292 1.00 0.00 C ATOM 624 CG GLN A 41 10.788 2.313 -8.643 1.00 0.00 C ATOM 625 CD GLN A 41 12.164 1.716 -8.905 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.290 0.657 -9.505 1.00 0.00 O ATOM 627 NE2 GLN A 41 13.218 2.396 -8.456 1.00 0.00 N ATOM 0 H GLN A 41 8.240 4.137 -8.308 1.00 0.00 H new ATOM 0 HA GLN A 41 8.187 1.973 -7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.858 2.251 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.173 0.813 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.105 2.002 -9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.853 3.400 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.083 3.276 -7.959 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.160 2.036 -8.609 1.00 0.00 H new ATOM 636 N GLU A 42 7.427 3.291 -5.380 1.00 0.00 N ATOM 637 CA GLU A 42 6.835 3.465 -4.062 1.00 0.00 C ATOM 638 C GLU A 42 5.326 3.636 -4.229 1.00 0.00 C ATOM 639 O GLU A 42 4.848 3.916 -5.330 1.00 0.00 O ATOM 640 CB GLU A 42 7.497 4.673 -3.368 1.00 0.00 C ATOM 641 CG GLU A 42 8.234 4.301 -2.071 1.00 0.00 C ATOM 642 CD GLU A 42 7.317 4.062 -0.879 1.00 0.00 C ATOM 643 OE1 GLU A 42 6.087 4.209 -1.051 1.00 0.00 O ATOM 644 OE2 GLU A 42 7.873 3.797 0.208 1.00 0.00 O ATOM 0 H GLU A 42 7.205 4.070 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 42 7.005 2.595 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.202 5.138 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.733 5.417 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.825 3.402 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.934 5.099 -1.822 1.00 0.00 H new ATOM 651 N ALA A 43 4.568 3.474 -3.146 1.00 0.00 N ATOM 652 CA ALA A 43 3.120 3.577 -3.170 1.00 0.00 C ATOM 653 C ALA A 43 2.618 4.096 -1.834 1.00 0.00 C ATOM 654 O ALA A 43 3.039 3.629 -0.778 1.00 0.00 O ATOM 655 CB ALA A 43 2.487 2.232 -3.515 1.00 0.00 C ATOM 0 H ALA A 43 4.949 3.266 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 43 2.828 4.284 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.402 2.333 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.832 1.908 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.774 1.492 -2.768 1.00 0.00 H new ATOM 661 N THR A 44 1.710 5.069 -1.888 1.00 0.00 N ATOM 662 CA THR A 44 1.206 5.791 -0.754 1.00 0.00 C ATOM 663 C THR A 44 -0.210 5.275 -0.528 1.00 0.00 C ATOM 664 O THR A 44 -1.117 5.665 -1.267 1.00 0.00 O ATOM 665 CB THR A 44 1.293 7.297 -1.056 1.00 0.00 C ATOM 666 OG1 THR A 44 2.651 7.699 -1.016 1.00 0.00 O ATOM 667 CG2 THR A 44 0.552 8.112 -0.001 1.00 0.00 C ATOM 0 H THR A 44 1.297 5.378 -2.768 1.00 0.00 H new ATOM 0 HA THR A 44 1.777 5.641 0.163 1.00 0.00 H new ATOM 0 HB THR A 44 0.848 7.469 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.714 8.658 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.630 9.173 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.498 7.820 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.994 7.927 0.978 1.00 0.00 H new ATOM 675 N ILE A 45 -0.393 4.380 0.448 1.00 0.00 N ATOM 676 CA ILE A 45 -1.709 3.891 0.829 1.00 0.00 C ATOM 677 C ILE A 45 -2.244 4.809 1.937 1.00 0.00 C ATOM 678 O ILE A 45 -1.484 5.591 2.509 1.00 0.00 O ATOM 679 CB ILE A 45 -1.647 2.408 1.238 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.098 1.621 0.043 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.044 1.856 1.583 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.779 0.175 0.386 1.00 0.00 C ATOM 0 H ILE A 45 0.371 3.978 0.992 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.401 3.925 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.015 2.310 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.826 1.645 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.196 2.110 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.961 0.807 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.465 2.424 2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.696 1.946 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.394 -0.332 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.029 0.145 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.685 -0.327 0.727 1.00 0.00 H new ATOM 694 N VAL A 46 -3.539 4.745 2.248 1.00 0.00 N ATOM 695 CA VAL A 46 -4.148 5.501 3.325 1.00 0.00 C ATOM 696 C VAL A 46 -5.150 4.571 4.020 1.00 0.00 C ATOM 697 O VAL A 46 -6.044 4.049 3.348 1.00 0.00 O ATOM 698 CB VAL A 46 -4.742 6.788 2.712 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.177 7.076 3.127 1.00 0.00 C ATOM 700 CG2 VAL A 46 -3.887 8.002 3.039 1.00 0.00 C ATOM 0 H VAL A 46 -4.200 4.153 1.745 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.453 5.832 4.097 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.746 6.601 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.515 7.997 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.818 6.251 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.227 7.187 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.332 8.891 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.831 8.127 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.883 7.859 2.638 1.00 0.00 H new ATOM 710 N TYR A 47 -4.971 4.312 5.325 1.00 0.00 N ATOM 711 CA TYR A 47 -5.777 3.350 6.081 1.00 0.00 C ATOM 712 C TYR A 47 -5.756 3.648 7.582 1.00 0.00 C ATOM 713 O TYR A 47 -5.006 4.527 8.002 1.00 0.00 O ATOM 714 CB TYR A 47 -5.274 1.924 5.819 1.00 0.00 C ATOM 715 CG TYR A 47 -3.886 1.621 6.361 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.697 1.367 7.732 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.797 1.480 5.484 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.425 1.057 8.226 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.576 0.974 5.955 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.383 0.779 7.333 1.00 0.00 C ATOM 721 OH TYR A 47 -0.252 0.187 7.800 1.00 0.00 O ATOM 0 H TYR A 47 -4.254 4.771 5.887 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.809 3.440 5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.981 1.220 6.258 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.274 1.747 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.539 1.412 8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.900 1.761 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.248 1.032 9.291 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.785 0.735 5.259 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.100 -0.653 7.319 1.00 0.00 H new ATOM 731 N GLN A 48 -6.517 2.892 8.395 1.00 0.00 N ATOM 732 CA GLN A 48 -6.461 2.943 9.850 1.00 0.00 C ATOM 733 C GLN A 48 -6.147 1.597 10.526 1.00 0.00 C ATOM 734 O GLN A 48 -6.705 0.573 10.124 1.00 0.00 O ATOM 735 CB GLN A 48 -7.752 3.520 10.415 1.00 0.00 C ATOM 736 CG GLN A 48 -8.987 3.173 9.603 1.00 0.00 C ATOM 737 CD GLN A 48 -10.256 3.615 10.331 1.00 0.00 C ATOM 738 OE1 GLN A 48 -10.205 4.441 11.238 1.00 0.00 O ATOM 739 NE2 GLN A 48 -11.404 3.048 9.972 1.00 0.00 N ATOM 0 H GLN A 48 -7.198 2.219 8.043 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.621 3.597 10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.885 3.157 11.434 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.659 4.605 10.472 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.934 3.657 8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.020 2.098 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.420 2.364 9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.268 3.297 10.453 1.00 0.00 H new ATOM 748 N PRO A 49 -5.314 1.596 11.589 1.00 0.00 N ATOM 749 CA PRO A 49 -5.015 0.419 12.396 1.00 0.00 C ATOM 750 C PRO A 49 -6.252 0.024 13.204 1.00 0.00 C ATOM 751 O PRO A 49 -6.415 0.418 14.357 1.00 0.00 O ATOM 752 CB PRO A 49 -3.855 0.831 13.309 1.00 0.00 C ATOM 753 CG PRO A 49 -4.089 2.327 13.507 1.00 0.00 C ATOM 754 CD PRO A 49 -4.641 2.762 12.150 1.00 0.00 C ATOM 0 HA PRO A 49 -4.743 -0.447 11.792 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.875 0.291 14.255 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.888 0.631 12.848 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.795 2.523 14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.167 2.852 13.756 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.335 3.595 12.261 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.839 3.101 11.494 1.00 0.00 H new ATOM 762 N HIS A 50 -7.144 -0.732 12.572 1.00 0.00 N ATOM 763 CA HIS A 50 -8.414 -1.146 13.145 1.00 0.00 C ATOM 764 C HIS A 50 -9.004 -2.220 12.239 1.00 0.00 C ATOM 765 O HIS A 50 -9.213 -3.352 12.664 1.00 0.00 O ATOM 766 CB HIS A 50 -9.330 0.084 13.293 1.00 0.00 C ATOM 767 CG HIS A 50 -10.815 -0.190 13.288 1.00 0.00 C ATOM 768 ND1 HIS A 50 -11.752 0.533 12.584 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.471 -1.207 13.930 1.00 0.00 C ATOM 770 CE1 HIS A 50 -12.947 -0.045 12.793 1.00 0.00 C ATOM 771 NE2 HIS A 50 -12.827 -1.109 13.604 1.00 0.00 N ATOM 0 H HIS A 50 -6.998 -1.081 11.625 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.293 -1.569 14.142 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.077 0.590 14.225 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.106 0.778 12.483 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.022 -1.950 14.572 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.878 0.299 12.367 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.577 -1.724 13.920 1.00 0.00 H new ATOM 779 N LEU A 51 -9.265 -1.858 10.983 1.00 0.00 N ATOM 780 CA LEU A 51 -9.808 -2.793 10.012 1.00 0.00 C ATOM 781 C LEU A 51 -8.689 -3.643 9.415 1.00 0.00 C ATOM 782 O LEU A 51 -8.959 -4.757 8.970 1.00 0.00 O ATOM 783 CB LEU A 51 -10.573 -2.028 8.929 1.00 0.00 C ATOM 784 CG LEU A 51 -11.933 -1.510 9.424 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.431 -0.386 8.512 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.986 -2.625 9.458 1.00 0.00 C ATOM 0 H LEU A 51 -9.107 -0.919 10.618 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.506 -3.468 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.970 -1.187 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.727 -2.679 8.069 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.789 -1.137 10.438 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.395 -0.026 8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.712 0.433 8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.541 -0.764 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.934 -2.220 9.813 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.118 -3.031 8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.656 -3.417 10.130 1.00 0.00 H new ATOM 798 N ILE A 52 -7.450 -3.131 9.399 1.00 0.00 N ATOM 799 CA ILE A 52 -6.306 -3.829 8.861 1.00 0.00 C ATOM 800 C ILE A 52 -5.277 -4.074 9.947 1.00 0.00 C ATOM 801 O ILE A 52 -5.257 -3.372 10.957 1.00 0.00 O ATOM 802 CB ILE A 52 -5.760 -3.052 7.670 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.769 -3.878 6.838 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.147 -1.732 8.114 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.457 -5.104 6.236 1.00 0.00 C ATOM 0 H ILE A 52 -7.226 -2.207 9.768 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.596 -4.815 8.497 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.605 -2.831 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.353 -3.261 6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.935 -4.194 7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.765 -1.197 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.907 -1.126 8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.330 -1.926 8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.736 -5.675 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.851 -5.730 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.275 -4.782 5.591 1.00 0.00 H new ATOM 817 N SER A 53 -4.378 -5.024 9.690 1.00 0.00 N ATOM 818 CA SER A 53 -3.321 -5.392 10.617 1.00 0.00 C ATOM 819 C SER A 53 -2.023 -4.643 10.338 1.00 0.00 C ATOM 820 O SER A 53 -0.941 -5.150 10.620 1.00 0.00 O ATOM 821 CB SER A 53 -3.099 -6.893 10.582 1.00 0.00 C ATOM 822 OG SER A 53 -4.307 -7.581 10.845 1.00 0.00 O ATOM 0 H SER A 53 -4.367 -5.562 8.823 1.00 0.00 H new ATOM 0 HA SER A 53 -3.642 -5.102 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.712 -7.186 9.606 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.347 -7.172 11.320 1.00 0.00 H new ATOM 0 HG SER A 53 -4.146 -8.547 10.817 1.00 0.00 H new ATOM 828 N VAL A 54 -2.155 -3.454 9.748 1.00 0.00 N ATOM 829 CA VAL A 54 -1.134 -2.492 9.375 1.00 0.00 C ATOM 830 C VAL A 54 -0.303 -3.020 8.208 1.00 0.00 C ATOM 831 O VAL A 54 -0.263 -2.427 7.129 1.00 0.00 O ATOM 832 CB VAL A 54 -0.336 -2.059 10.623 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.178 -1.992 10.399 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.837 -0.694 11.093 1.00 0.00 C ATOM 0 H VAL A 54 -3.082 -3.111 9.496 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.585 -1.575 8.995 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.503 -2.826 11.379 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.669 -1.681 11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.546 -2.975 10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.398 -1.272 9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.276 -0.384 11.975 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.697 0.038 10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.896 -0.761 11.342 1.00 0.00 H new ATOM 844 N GLU A 55 0.328 -4.163 8.438 1.00 0.00 N ATOM 845 CA GLU A 55 1.237 -4.813 7.529 1.00 0.00 C ATOM 846 C GLU A 55 0.445 -5.569 6.469 1.00 0.00 C ATOM 847 O GLU A 55 0.918 -5.685 5.341 1.00 0.00 O ATOM 848 CB GLU A 55 2.161 -5.746 8.327 1.00 0.00 C ATOM 849 CG GLU A 55 3.642 -5.536 7.984 1.00 0.00 C ATOM 850 CD GLU A 55 4.195 -4.272 8.627 1.00 0.00 C ATOM 851 OE1 GLU A 55 3.935 -3.187 8.071 1.00 0.00 O ATOM 852 OE2 GLU A 55 4.879 -4.435 9.658 1.00 0.00 O ATOM 0 H GLU A 55 0.208 -4.680 9.309 1.00 0.00 H new ATOM 0 HA GLU A 55 1.857 -4.078 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.010 -5.577 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.888 -6.782 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.219 -6.398 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.760 -5.476 6.902 1.00 0.00 H new ATOM 859 N GLU A 56 -0.739 -6.098 6.824 1.00 0.00 N ATOM 860 CA GLU A 56 -1.509 -6.955 5.930 1.00 0.00 C ATOM 861 C GLU A 56 -1.664 -6.340 4.539 1.00 0.00 C ATOM 862 O GLU A 56 -1.374 -6.990 3.535 1.00 0.00 O ATOM 863 CB GLU A 56 -2.866 -7.289 6.556 1.00 0.00 C ATOM 864 CG GLU A 56 -2.803 -8.601 7.346 1.00 0.00 C ATOM 865 CD GLU A 56 -2.588 -9.791 6.417 1.00 0.00 C ATOM 866 OE1 GLU A 56 -3.534 -10.090 5.659 1.00 0.00 O ATOM 867 OE2 GLU A 56 -1.468 -10.344 6.461 1.00 0.00 O ATOM 0 H GLU A 56 -1.178 -5.941 7.731 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.956 -7.884 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.175 -6.478 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.621 -7.368 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.993 -8.553 8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.728 -8.736 7.907 1.00 0.00 H new ATOM 874 N MET A 57 -2.065 -5.067 4.484 1.00 0.00 N ATOM 875 CA MET A 57 -2.148 -4.313 3.248 1.00 0.00 C ATOM 876 C MET A 57 -0.903 -4.522 2.377 1.00 0.00 C ATOM 877 O MET A 57 -1.009 -4.910 1.219 1.00 0.00 O ATOM 878 CB MET A 57 -2.394 -2.844 3.631 1.00 0.00 C ATOM 879 CG MET A 57 -3.879 -2.531 3.462 1.00 0.00 C ATOM 880 SD MET A 57 -4.503 -1.141 4.421 1.00 0.00 S ATOM 881 CE MET A 57 -6.249 -1.611 4.529 1.00 0.00 C ATOM 0 H MET A 57 -2.342 -4.534 5.308 1.00 0.00 H new ATOM 0 HA MET A 57 -2.973 -4.661 2.627 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.086 -2.666 4.661 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.796 -2.185 3.002 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.072 -2.335 2.407 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.451 -3.419 3.731 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.770 -0.925 5.197 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.700 -1.565 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.329 -2.626 4.917 1.00 0.00 H new ATOM 891 N LYS A 58 0.285 -4.299 2.930 1.00 0.00 N ATOM 892 CA LYS A 58 1.534 -4.458 2.202 1.00 0.00 C ATOM 893 C LYS A 58 1.884 -5.931 1.947 1.00 0.00 C ATOM 894 O LYS A 58 2.496 -6.267 0.929 1.00 0.00 O ATOM 895 CB LYS A 58 2.621 -3.705 2.970 1.00 0.00 C ATOM 896 CG LYS A 58 3.957 -3.688 2.221 1.00 0.00 C ATOM 897 CD LYS A 58 5.071 -4.349 3.031 1.00 0.00 C ATOM 898 CE LYS A 58 4.920 -5.846 3.193 1.00 0.00 C ATOM 899 NZ LYS A 58 5.014 -6.580 1.921 1.00 0.00 N ATOM 0 H LYS A 58 0.406 -4.002 3.898 1.00 0.00 H new ATOM 0 HA LYS A 58 1.439 -4.031 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.294 -2.681 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.760 -4.169 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.846 -4.204 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.234 -2.658 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.026 -4.142 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.107 -3.890 4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.690 -6.211 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.957 -6.059 3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.886 -7.597 2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.274 -6.245 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.949 -6.417 1.495 1.00 0.00 H new ATOM 913 N LYS A 59 1.594 -6.827 2.889 1.00 0.00 N ATOM 914 CA LYS A 59 1.806 -8.255 2.718 1.00 0.00 C ATOM 915 C LYS A 59 0.972 -8.793 1.556 1.00 0.00 C ATOM 916 O LYS A 59 1.415 -9.701 0.854 1.00 0.00 O ATOM 917 CB LYS A 59 1.484 -8.973 4.032 1.00 0.00 C ATOM 918 CG LYS A 59 2.711 -9.308 4.885 1.00 0.00 C ATOM 919 CD LYS A 59 3.750 -8.183 5.045 1.00 0.00 C ATOM 920 CE LYS A 59 4.833 -8.539 6.076 1.00 0.00 C ATOM 921 NZ LYS A 59 4.278 -8.793 7.421 1.00 0.00 N ATOM 0 H LYS A 59 1.203 -6.576 3.797 1.00 0.00 H new ATOM 0 HA LYS A 59 2.851 -8.442 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.809 -8.349 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.950 -9.896 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.369 -9.604 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.207 -10.174 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.219 -7.983 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.247 -7.266 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.374 -9.423 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.556 -7.725 6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.974 -8.514 8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.407 -8.239 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.062 -9.805 7.522 1.00 0.00 H new ATOM 935 N GLN A 60 -0.205 -8.216 1.296 1.00 0.00 N ATOM 936 CA GLN A 60 -1.031 -8.694 0.205 1.00 0.00 C ATOM 937 C GLN A 60 -0.304 -8.443 -1.115 1.00 0.00 C ATOM 938 O GLN A 60 -0.389 -9.254 -2.029 1.00 0.00 O ATOM 939 CB GLN A 60 -2.454 -8.122 0.287 1.00 0.00 C ATOM 940 CG GLN A 60 -2.704 -7.016 -0.735 1.00 0.00 C ATOM 941 CD GLN A 60 -4.079 -6.394 -0.571 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.379 -5.832 0.474 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.919 -6.468 -1.600 1.00 0.00 N ATOM 0 H GLN A 60 -0.594 -7.432 1.820 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.179 -9.771 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.174 -8.925 0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.627 -7.731 1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.941 -6.244 -0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.607 -7.423 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.636 -6.944 -2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.846 -6.048 -1.533 1.00 0.00 H new ATOM 952 N ILE A 61 0.437 -7.334 -1.207 1.00 0.00 N ATOM 953 CA ILE A 61 1.271 -7.075 -2.369 1.00 0.00 C ATOM 954 C ILE A 61 2.355 -8.156 -2.489 1.00 0.00 C ATOM 955 O ILE A 61 2.517 -8.703 -3.577 1.00 0.00 O ATOM 956 CB ILE A 61 1.817 -5.637 -2.387 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.753 -4.608 -2.828 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.943 -5.513 -3.422 1.00 0.00 C ATOM 959 CD1 ILE A 61 0.050 -3.960 -1.647 1.00 0.00 C ATOM 0 H ILE A 61 0.472 -6.609 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 61 0.655 -7.142 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 61 2.150 -5.435 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.227 -3.836 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.015 -5.101 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.322 -4.491 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.750 -6.199 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.557 -5.761 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.688 -3.245 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.449 -4.727 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.782 -3.442 -1.027 1.00 0.00 H new ATOM 971 N GLU A 62 3.067 -8.499 -1.402 1.00 0.00 N ATOM 972 CA GLU A 62 4.052 -9.582 -1.440 1.00 0.00 C ATOM 973 C GLU A 62 3.393 -10.823 -2.043 1.00 0.00 C ATOM 974 O GLU A 62 3.921 -11.447 -2.960 1.00 0.00 O ATOM 975 CB GLU A 62 4.571 -9.923 -0.036 1.00 0.00 C ATOM 976 CG GLU A 62 5.876 -9.184 0.231 1.00 0.00 C ATOM 977 CD GLU A 62 6.406 -9.499 1.620 1.00 0.00 C ATOM 978 OE1 GLU A 62 5.776 -8.968 2.561 1.00 0.00 O ATOM 979 OE2 GLU A 62 7.404 -10.237 1.716 1.00 0.00 O ATOM 0 H GLU A 62 2.977 -8.043 -0.494 1.00 0.00 H new ATOM 0 HA GLU A 62 4.899 -9.257 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.828 -9.647 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.728 -10.998 0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.617 -9.465 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.716 -8.110 0.134 1.00 0.00 H new ATOM 986 N ALA A 63 2.208 -11.144 -1.522 1.00 0.00 N ATOM 987 CA ALA A 63 1.415 -12.290 -1.929 1.00 0.00 C ATOM 988 C ALA A 63 1.057 -12.293 -3.424 1.00 0.00 C ATOM 989 O ALA A 63 0.780 -13.360 -3.966 1.00 0.00 O ATOM 990 CB ALA A 63 0.172 -12.366 -1.042 1.00 0.00 C ATOM 0 H ALA A 63 1.767 -10.594 -0.785 1.00 0.00 H new ATOM 0 HA ALA A 63 2.022 -13.185 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.434 -13.223 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.474 -12.476 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.412 -11.453 -1.155 1.00 0.00 H new ATOM 996 N MET A 64 1.077 -11.142 -4.111 1.00 0.00 N ATOM 997 CA MET A 64 0.897 -11.108 -5.561 1.00 0.00 C ATOM 998 C MET A 64 2.080 -11.776 -6.272 1.00 0.00 C ATOM 999 O MET A 64 1.925 -12.264 -7.389 1.00 0.00 O ATOM 1000 CB MET A 64 0.744 -9.666 -6.070 1.00 0.00 C ATOM 1001 CG MET A 64 -0.428 -8.918 -5.429 1.00 0.00 C ATOM 1002 SD MET A 64 -2.083 -9.554 -5.793 1.00 0.00 S ATOM 1003 CE MET A 64 -3.020 -8.702 -4.506 1.00 0.00 C ATOM 0 H MET A 64 1.216 -10.227 -3.683 1.00 0.00 H new ATOM 0 HA MET A 64 -0.016 -11.659 -5.787 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.666 -9.119 -5.873 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.608 -9.682 -7.151 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.289 -8.927 -4.348 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.384 -7.877 -5.748 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.072 -8.978 -4.579 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.637 -8.989 -3.527 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.918 -7.624 -4.634 1.00 0.00 H new ATOM 1013 N GLY A 65 3.264 -11.752 -5.650 1.00 0.00 N ATOM 1014 CA GLY A 65 4.503 -12.280 -6.203 1.00 0.00 C ATOM 1015 C GLY A 65 5.624 -11.246 -6.103 1.00 0.00 C ATOM 1016 O GLY A 65 6.787 -11.602 -5.933 1.00 0.00 O ATOM 0 H GLY A 65 3.383 -11.351 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.789 -13.186 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.352 -12.560 -7.246 1.00 0.00 H new ATOM 1020 N PHE A 66 5.281 -9.960 -6.224 1.00 0.00 N ATOM 1021 CA PHE A 66 6.249 -8.871 -6.230 1.00 0.00 C ATOM 1022 C PHE A 66 6.692 -8.584 -4.794 1.00 0.00 C ATOM 1023 O PHE A 66 5.852 -8.155 -4.005 1.00 0.00 O ATOM 1024 CB PHE A 66 5.618 -7.617 -6.846 1.00 0.00 C ATOM 1025 CG PHE A 66 5.358 -7.758 -8.332 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.376 -7.419 -9.243 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.203 -8.418 -8.790 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.256 -7.769 -10.597 1.00 0.00 C ATOM 1029 CE2 PHE A 66 4.097 -8.796 -10.139 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.120 -8.468 -11.045 1.00 0.00 C ATOM 0 H PHE A 66 4.315 -9.648 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 66 7.116 -9.156 -6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.679 -7.401 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.276 -6.765 -6.676 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.252 -6.888 -8.899 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.397 -8.634 -8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.036 -7.502 -11.295 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.228 -9.339 -10.480 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.034 -8.752 -12.083 1.00 0.00 H new ATOM 1040 N PRO A 67 7.968 -8.786 -4.426 1.00 0.00 N ATOM 1041 CA PRO A 67 8.424 -8.516 -3.074 1.00 0.00 C ATOM 1042 C PRO A 67 8.248 -7.025 -2.773 1.00 0.00 C ATOM 1043 O PRO A 67 8.779 -6.185 -3.496 1.00 0.00 O ATOM 1044 CB PRO A 67 9.887 -8.967 -3.028 1.00 0.00 C ATOM 1045 CG PRO A 67 10.345 -8.871 -4.483 1.00 0.00 C ATOM 1046 CD PRO A 67 9.078 -9.194 -5.276 1.00 0.00 C ATOM 0 HA PRO A 67 7.855 -9.049 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.483 -8.326 -2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.980 -9.983 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.725 -7.877 -4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.146 -9.578 -4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.062 -8.658 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.022 -10.257 -5.510 1.00 0.00 H new ATOM 1054 N ALA A 68 7.482 -6.693 -1.729 1.00 0.00 N ATOM 1055 CA ALA A 68 7.176 -5.321 -1.358 1.00 0.00 C ATOM 1056 C ALA A 68 7.434 -5.140 0.131 1.00 0.00 C ATOM 1057 O ALA A 68 7.500 -6.115 0.878 1.00 0.00 O ATOM 1058 CB ALA A 68 5.730 -5.016 -1.726 1.00 0.00 C ATOM 0 H ALA A 68 7.054 -7.385 -1.113 1.00 0.00 H new ATOM 0 HA ALA A 68 7.814 -4.621 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.493 -3.988 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.593 -5.145 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.067 -5.697 -1.192 1.00 0.00 H new ATOM 1064 N PHE A 69 7.529 -3.891 0.578 1.00 0.00 N ATOM 1065 CA PHE A 69 8.232 -3.483 1.785 1.00 0.00 C ATOM 1066 C PHE A 69 7.579 -2.224 2.358 1.00 0.00 C ATOM 1067 O PHE A 69 7.170 -1.362 1.593 1.00 0.00 O ATOM 1068 CB PHE A 69 9.713 -3.226 1.477 1.00 0.00 C ATOM 1069 CG PHE A 69 10.630 -3.724 2.572 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.827 -2.961 3.739 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.175 -5.018 2.481 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.575 -3.488 4.805 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.943 -5.535 3.537 1.00 0.00 C ATOM 1074 CZ PHE A 69 12.143 -4.770 4.700 1.00 0.00 C ATOM 0 H PHE A 69 7.100 -3.106 0.088 1.00 0.00 H new ATOM 0 HA PHE A 69 8.170 -4.283 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.975 -3.715 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.870 -2.157 1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.403 -1.971 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.002 -5.615 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.714 -2.908 5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.380 -6.519 3.456 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.733 -5.167 5.513 1.00 0.00 H new ATOM 1084 N VAL A 70 7.448 -2.120 3.680 1.00 0.00 N ATOM 1085 CA VAL A 70 6.871 -0.958 4.343 1.00 0.00 C ATOM 1086 C VAL A 70 8.002 0.013 4.678 1.00 0.00 C ATOM 1087 O VAL A 70 8.999 -0.393 5.273 1.00 0.00 O ATOM 1088 CB VAL A 70 6.062 -1.439 5.566 1.00 0.00 C ATOM 1089 CG1 VAL A 70 6.161 -0.533 6.795 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.587 -1.546 5.167 1.00 0.00 C ATOM 0 H VAL A 70 7.744 -2.851 4.326 1.00 0.00 H new ATOM 0 HA VAL A 70 6.171 -0.416 3.707 1.00 0.00 H new ATOM 0 HB VAL A 70 6.492 -2.398 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.561 -0.950 7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.201 -0.464 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.791 0.461 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.002 -1.885 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.225 -0.570 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.482 -2.260 4.350 1.00 0.00 H new