USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= -2.53! USER MOD Set 1.2: A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.266 (180deg=-1.03) USER MOD Single : A 11 MET CE :methyl -177:sc= -1.63 (180deg=-1.64) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0324 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= -0.547 (180deg=-2.19!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.44) USER MOD Single : A 34 THR OG1 : rot -60:sc= -2.36! USER MOD Single : A 37 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-9.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -5.52! C(o=-5.5!,f=-7.4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -54:sc= -1.88! USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0892 F(o=-3.9!,f=-0.089) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 3.316 14.304 5.032 1.00 0.00 N ATOM 40 CA VAL A 4 2.746 13.099 5.626 1.00 0.00 C ATOM 41 C VAL A 4 2.943 11.898 4.701 1.00 0.00 C ATOM 42 O VAL A 4 2.750 12.001 3.491 1.00 0.00 O ATOM 43 CB VAL A 4 1.242 13.266 5.922 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.856 12.493 7.173 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.878 14.737 6.064 1.00 0.00 C ATOM 0 HA VAL A 4 3.269 12.929 6.567 1.00 0.00 H new ATOM 0 HB VAL A 4 0.681 12.859 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.209 12.622 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.072 11.435 7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.427 12.867 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.188 14.830 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.447 15.175 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.113 15.261 5.138 1.00 0.00 H new ATOM 55 N VAL A 5 3.325 10.761 5.275 1.00 0.00 N ATOM 56 CA VAL A 5 3.541 9.544 4.495 1.00 0.00 C ATOM 57 C VAL A 5 2.769 8.372 5.097 1.00 0.00 C ATOM 58 O VAL A 5 3.030 7.964 6.226 1.00 0.00 O ATOM 59 CB VAL A 5 5.048 9.192 4.409 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.273 7.684 4.335 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.682 9.884 3.213 1.00 0.00 C ATOM 0 H VAL A 5 3.491 10.656 6.276 1.00 0.00 H new ATOM 0 HA VAL A 5 3.172 9.731 3.486 1.00 0.00 H new ATOM 0 HB VAL A 5 5.525 9.550 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.342 7.478 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.861 7.210 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.777 7.285 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.741 9.629 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.187 9.557 2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.574 10.964 3.318 1.00 0.00 H new ATOM 71 N ALA A 6 1.813 7.840 4.341 1.00 0.00 N ATOM 72 CA ALA A 6 1.025 6.702 4.799 1.00 0.00 C ATOM 73 C ALA A 6 1.606 5.405 4.255 1.00 0.00 C ATOM 74 O ALA A 6 2.446 5.428 3.356 1.00 0.00 O ATOM 75 CB ALA A 6 -0.428 6.855 4.376 1.00 0.00 C ATOM 0 H ALA A 6 1.566 8.178 3.411 1.00 0.00 H new ATOM 0 HA ALA A 6 1.063 6.669 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.001 5.997 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.839 7.767 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.487 6.911 3.289 1.00 0.00 H new ATOM 81 N THR A 7 1.173 4.275 4.805 1.00 0.00 N ATOM 82 CA THR A 7 1.667 2.983 4.348 1.00 0.00 C ATOM 83 C THR A 7 0.565 1.929 4.333 1.00 0.00 C ATOM 84 O THR A 7 -0.183 1.758 5.307 1.00 0.00 O ATOM 85 CB THR A 7 2.835 2.516 5.210 1.00 0.00 C ATOM 86 OG1 THR A 7 3.816 3.530 5.308 1.00 0.00 O ATOM 87 CG2 THR A 7 3.509 1.271 4.675 1.00 0.00 C ATOM 0 H THR A 7 0.488 4.228 5.560 1.00 0.00 H new ATOM 0 HA THR A 7 2.016 3.113 3.324 1.00 0.00 H new ATOM 0 HB THR A 7 2.407 2.286 6.185 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.558 3.215 5.866 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.331 0.991 5.333 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.786 0.456 4.631 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.896 1.468 3.675 1.00 0.00 H new ATOM 95 N ILE A 8 0.506 1.215 3.213 1.00 0.00 N ATOM 96 CA ILE A 8 -0.493 0.183 2.981 1.00 0.00 C ATOM 97 C ILE A 8 0.179 -1.174 2.737 1.00 0.00 C ATOM 98 O ILE A 8 0.800 -1.382 1.698 1.00 0.00 O ATOM 99 CB ILE A 8 -1.353 0.555 1.758 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.633 2.067 1.734 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.639 -0.237 1.758 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.813 2.501 2.582 1.00 0.00 C ATOM 0 H ILE A 8 1.156 1.339 2.437 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.125 0.109 3.866 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.800 0.302 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.742 2.594 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.810 2.375 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.235 0.037 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.410 -1.302 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.201 -0.019 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.938 3.581 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.717 2.006 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.633 2.229 3.622 1.00 0.00 H new ATOM 114 N LYS A 9 0.106 -2.069 3.723 1.00 0.00 N ATOM 115 CA LYS A 9 0.758 -3.382 3.621 1.00 0.00 C ATOM 116 C LYS A 9 -0.198 -4.462 3.126 1.00 0.00 C ATOM 117 O LYS A 9 -0.887 -5.104 3.915 1.00 0.00 O ATOM 118 CB LYS A 9 1.338 -3.794 4.969 1.00 0.00 C ATOM 119 CG LYS A 9 1.500 -2.642 5.952 1.00 0.00 C ATOM 120 CD LYS A 9 2.955 -2.285 6.167 1.00 0.00 C ATOM 121 CE LYS A 9 3.635 -3.258 7.118 1.00 0.00 C ATOM 122 NZ LYS A 9 2.882 -3.402 8.394 1.00 0.00 N ATOM 0 H LYS A 9 -0.394 -1.913 4.598 1.00 0.00 H new ATOM 0 HA LYS A 9 1.560 -3.283 2.890 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.692 -4.550 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.310 -4.260 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.963 -1.769 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.048 -2.912 6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.476 -2.287 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.027 -1.274 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.726 -4.232 6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.647 -2.912 7.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.503 -3.814 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.553 -2.468 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.063 -4.026 8.245 1.00 0.00 H new ATOM 136 N VAL A 10 -0.205 -4.683 1.821 1.00 0.00 N ATOM 137 CA VAL A 10 -1.111 -5.656 1.210 1.00 0.00 C ATOM 138 C VAL A 10 -0.461 -7.036 1.087 1.00 0.00 C ATOM 139 O VAL A 10 0.700 -7.153 0.699 1.00 0.00 O ATOM 140 CB VAL A 10 -1.607 -5.170 -0.180 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.373 -3.673 -0.339 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.952 -5.937 -1.322 1.00 0.00 C ATOM 0 H VAL A 10 0.406 -4.203 1.160 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.972 -5.746 1.872 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.678 -5.367 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.727 -3.351 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.917 -3.135 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.308 -3.460 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.329 -5.564 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.128 -5.799 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.187 -6.997 -1.230 1.00 0.00 H new ATOM 152 N MET A 11 -1.215 -8.083 1.433 1.00 0.00 N ATOM 153 CA MET A 11 -0.701 -9.446 1.352 1.00 0.00 C ATOM 154 C MET A 11 -1.808 -10.460 1.004 1.00 0.00 C ATOM 155 O MET A 11 -2.753 -10.671 1.773 1.00 0.00 O ATOM 156 CB MET A 11 0.015 -9.820 2.665 1.00 0.00 C ATOM 157 CG MET A 11 -0.894 -10.330 3.774 1.00 0.00 C ATOM 158 SD MET A 11 -0.207 -11.756 4.638 1.00 0.00 S ATOM 159 CE MET A 11 -0.463 -13.046 3.423 1.00 0.00 C ATOM 0 H MET A 11 -2.175 -8.011 1.769 1.00 0.00 H new ATOM 0 HA MET A 11 0.023 -9.486 0.538 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.762 -10.584 2.448 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.552 -8.944 3.030 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.072 -9.528 4.490 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.862 -10.599 3.350 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.137 -14.002 3.833 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.522 -13.102 3.169 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.113 -12.820 2.526 1.00 0.00 H new ATOM 169 N PRO A 12 -1.706 -11.097 -0.181 1.00 0.00 N ATOM 170 CA PRO A 12 -2.674 -12.105 -0.638 1.00 0.00 C ATOM 171 C PRO A 12 -2.693 -13.331 0.266 1.00 0.00 C ATOM 172 O PRO A 12 -1.659 -13.950 0.517 1.00 0.00 O ATOM 173 CB PRO A 12 -2.178 -12.485 -2.040 1.00 0.00 C ATOM 174 CG PRO A 12 -1.292 -11.360 -2.443 1.00 0.00 C ATOM 175 CD PRO A 12 -0.646 -10.886 -1.173 1.00 0.00 C ATOM 0 HA PRO A 12 -3.693 -11.719 -0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.636 -13.431 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.009 -12.604 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.544 -11.688 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.863 -10.561 -2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.251 -11.458 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.350 -9.839 -1.234 1.00 0.00 H new ATOM 183 N GLU A 13 -3.876 -13.656 0.769 1.00 0.00 N ATOM 184 CA GLU A 13 -4.054 -14.799 1.654 1.00 0.00 C ATOM 185 C GLU A 13 -3.588 -16.090 0.994 1.00 0.00 C ATOM 186 O GLU A 13 -3.158 -17.024 1.671 1.00 0.00 O ATOM 187 CB GLU A 13 -5.523 -14.925 2.062 1.00 0.00 C ATOM 188 CG GLU A 13 -5.780 -14.597 3.523 1.00 0.00 C ATOM 189 CD GLU A 13 -7.258 -14.560 3.861 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.861 -15.643 4.008 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.813 -13.447 3.974 1.00 0.00 O ATOM 0 H GLU A 13 -4.734 -13.139 0.577 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.444 -14.632 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.122 -14.262 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.861 -15.942 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.286 -15.339 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.333 -13.631 3.759 1.00 0.00 H new ATOM 198 N SER A 14 -3.712 -16.150 -0.326 1.00 0.00 N ATOM 199 CA SER A 14 -3.317 -17.335 -1.076 1.00 0.00 C ATOM 200 C SER A 14 -1.805 -17.393 -1.259 1.00 0.00 C ATOM 201 O SER A 14 -1.140 -16.359 -1.317 1.00 0.00 O ATOM 202 CB SER A 14 -4.009 -17.352 -2.440 1.00 0.00 C ATOM 203 OG SER A 14 -4.833 -18.496 -2.582 1.00 0.00 O ATOM 0 H SER A 14 -4.083 -15.392 -0.899 1.00 0.00 H new ATOM 0 HA SER A 14 -3.625 -18.211 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.610 -16.451 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.259 -17.340 -3.231 1.00 0.00 H new ATOM 0 HG SER A 14 -5.265 -18.481 -3.462 1.00 0.00 H new ATOM 209 N PRO A 15 -1.238 -18.610 -1.363 1.00 0.00 N ATOM 210 CA PRO A 15 0.201 -18.790 -1.558 1.00 0.00 C ATOM 211 C PRO A 15 0.659 -18.274 -2.916 1.00 0.00 C ATOM 212 O PRO A 15 1.854 -18.243 -3.212 1.00 0.00 O ATOM 213 CB PRO A 15 0.392 -20.307 -1.467 1.00 0.00 C ATOM 214 CG PRO A 15 -0.937 -20.879 -1.821 1.00 0.00 C ATOM 215 CD PRO A 15 -1.955 -19.898 -1.313 1.00 0.00 C ATOM 0 HA PRO A 15 0.786 -18.235 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.166 -20.650 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.698 -20.608 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.029 -21.015 -2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.075 -21.858 -1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.848 -19.886 -1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.277 -20.140 -0.300 1.00 0.00 H new ATOM 223 N ASP A 16 -0.304 -17.876 -3.741 1.00 0.00 N ATOM 224 CA ASP A 16 -0.009 -17.345 -5.063 1.00 0.00 C ATOM 225 C ASP A 16 0.127 -15.828 -5.013 1.00 0.00 C ATOM 226 O ASP A 16 -0.223 -15.132 -5.966 1.00 0.00 O ATOM 227 CB ASP A 16 -1.104 -17.741 -6.053 1.00 0.00 C ATOM 228 CG ASP A 16 -1.394 -19.230 -6.029 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.428 -20.021 -5.972 1.00 0.00 O ATOM 230 OD2 ASP A 16 -2.584 -19.604 -6.068 1.00 0.00 O ATOM 0 H ASP A 16 -1.298 -17.912 -3.514 1.00 0.00 H new ATOM 0 HA ASP A 16 0.938 -17.769 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.016 -17.192 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.804 -17.448 -7.059 1.00 0.00 H new ATOM 235 N VAL A 17 0.627 -15.322 -3.889 1.00 0.00 N ATOM 236 CA VAL A 17 0.809 -13.886 -3.716 1.00 0.00 C ATOM 237 C VAL A 17 1.889 -13.374 -4.674 1.00 0.00 C ATOM 238 O VAL A 17 3.081 -13.368 -4.361 1.00 0.00 O ATOM 239 CB VAL A 17 1.125 -13.504 -2.242 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.646 -14.699 -1.469 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.082 -12.318 -2.136 1.00 0.00 C ATOM 0 H VAL A 17 0.912 -15.884 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.134 -13.398 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 17 0.185 -13.188 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.859 -14.403 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.895 -15.489 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.559 -15.065 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.269 -12.094 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.023 -12.565 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.638 -11.448 -2.620 1.00 0.00 H new ATOM 251 N ASP A 18 1.463 -13.060 -5.890 1.00 0.00 N ATOM 252 CA ASP A 18 2.364 -12.542 -6.911 1.00 0.00 C ATOM 253 C ASP A 18 2.795 -11.124 -6.564 1.00 0.00 C ATOM 254 O ASP A 18 2.016 -10.183 -6.691 1.00 0.00 O ATOM 255 CB ASP A 18 1.686 -12.571 -8.280 1.00 0.00 C ATOM 256 CG ASP A 18 1.804 -13.923 -8.956 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.926 -14.471 -8.995 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.776 -14.435 -9.445 1.00 0.00 O ATOM 0 H ASP A 18 0.494 -13.156 -6.195 1.00 0.00 H new ATOM 0 HA ASP A 18 3.250 -13.176 -6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.632 -12.316 -8.166 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.131 -11.808 -8.919 1.00 0.00 H new ATOM 263 N LEU A 19 4.025 -10.987 -6.089 1.00 0.00 N ATOM 264 CA LEU A 19 4.552 -9.688 -5.691 1.00 0.00 C ATOM 265 C LEU A 19 4.595 -8.723 -6.873 1.00 0.00 C ATOM 266 O LEU A 19 4.087 -7.606 -6.787 1.00 0.00 O ATOM 267 CB LEU A 19 5.948 -9.856 -5.072 1.00 0.00 C ATOM 268 CG LEU A 19 7.031 -8.904 -5.591 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.034 -7.611 -4.792 1.00 0.00 C ATOM 270 CD2 LEU A 19 8.398 -9.571 -5.534 1.00 0.00 C ATOM 0 H LEU A 19 4.678 -11.761 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 19 3.884 -9.260 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.864 -9.725 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.279 -10.880 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 19 6.808 -8.663 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.810 -6.948 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.063 -7.124 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.232 -7.832 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.155 -8.881 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.628 -9.841 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.391 -10.469 -6.152 1.00 0.00 H new ATOM 282 N GLU A 20 5.159 -9.176 -7.988 1.00 0.00 N ATOM 283 CA GLU A 20 5.292 -8.329 -9.169 1.00 0.00 C ATOM 284 C GLU A 20 3.938 -8.065 -9.809 1.00 0.00 C ATOM 285 O GLU A 20 3.691 -6.976 -10.327 1.00 0.00 O ATOM 286 CB GLU A 20 6.236 -8.977 -10.182 1.00 0.00 C ATOM 287 CG GLU A 20 6.275 -8.266 -11.528 1.00 0.00 C ATOM 288 CD GLU A 20 7.352 -7.200 -11.593 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.507 -6.452 -10.605 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.036 -7.112 -12.634 1.00 0.00 O ATOM 0 H GLU A 20 5.530 -10.120 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 20 5.711 -7.373 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.242 -8.999 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.932 -10.012 -10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.446 -8.998 -12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.305 -7.809 -11.722 1.00 0.00 H new ATOM 297 N ALA A 21 3.059 -9.056 -9.772 1.00 0.00 N ATOM 298 CA ALA A 21 1.718 -8.878 -10.312 1.00 0.00 C ATOM 299 C ALA A 21 0.934 -7.912 -9.437 1.00 0.00 C ATOM 300 O ALA A 21 0.130 -7.116 -9.924 1.00 0.00 O ATOM 301 CB ALA A 21 0.996 -10.209 -10.430 1.00 0.00 C ATOM 0 H ALA A 21 3.245 -9.979 -9.380 1.00 0.00 H new ATOM 0 HA ALA A 21 1.799 -8.458 -11.315 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.003 -10.047 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.555 -10.868 -11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.917 -10.669 -9.445 1.00 0.00 H new ATOM 307 N LEU A 22 1.183 -7.995 -8.136 1.00 0.00 N ATOM 308 CA LEU A 22 0.550 -7.109 -7.167 1.00 0.00 C ATOM 309 C LEU A 22 1.029 -5.681 -7.376 1.00 0.00 C ATOM 310 O LEU A 22 0.321 -4.724 -7.074 1.00 0.00 O ATOM 311 CB LEU A 22 0.877 -7.578 -5.741 1.00 0.00 C ATOM 312 CG LEU A 22 -0.228 -7.394 -4.686 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.606 -7.273 -5.325 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.209 -8.546 -3.695 1.00 0.00 C ATOM 0 H LEU A 22 1.825 -8.673 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.530 -7.138 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.137 -8.636 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.765 -7.044 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.025 -6.463 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.358 -7.144 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.623 -6.411 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.824 -8.177 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.996 -8.402 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.376 -9.484 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.759 -8.579 -3.194 1.00 0.00 H new ATOM 326 N LYS A 23 2.240 -5.559 -7.906 1.00 0.00 N ATOM 327 CA LYS A 23 2.837 -4.260 -8.189 1.00 0.00 C ATOM 328 C LYS A 23 1.932 -3.447 -9.104 1.00 0.00 C ATOM 329 O LYS A 23 1.681 -2.267 -8.862 1.00 0.00 O ATOM 330 CB LYS A 23 4.207 -4.442 -8.851 1.00 0.00 C ATOM 331 CG LYS A 23 5.384 -4.089 -7.957 1.00 0.00 C ATOM 332 CD LYS A 23 5.947 -5.315 -7.260 1.00 0.00 C ATOM 333 CE LYS A 23 7.458 -5.396 -7.410 1.00 0.00 C ATOM 334 NZ LYS A 23 8.083 -4.048 -7.522 1.00 0.00 N ATOM 0 H LYS A 23 2.833 -6.352 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 23 2.961 -3.726 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.308 -5.479 -9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.249 -3.825 -9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.166 -3.618 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.069 -3.359 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.686 -5.285 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.490 -6.213 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.879 -5.920 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.703 -5.983 -8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.077 -4.100 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.038 -3.725 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.571 -3.376 -6.915 1.00 0.00 H new ATOM 348 N LYS A 24 1.450 -4.092 -10.161 1.00 0.00 N ATOM 349 CA LYS A 24 0.567 -3.439 -11.117 1.00 0.00 C ATOM 350 C LYS A 24 -0.759 -3.071 -10.466 1.00 0.00 C ATOM 351 O LYS A 24 -1.303 -1.994 -10.712 1.00 0.00 O ATOM 352 CB LYS A 24 0.318 -4.351 -12.323 1.00 0.00 C ATOM 353 CG LYS A 24 1.507 -5.227 -12.682 1.00 0.00 C ATOM 354 CD LYS A 24 1.268 -5.989 -13.975 1.00 0.00 C ATOM 355 CE LYS A 24 1.182 -7.487 -13.730 1.00 0.00 C ATOM 356 NZ LYS A 24 2.357 -8.209 -14.292 1.00 0.00 N ATOM 0 H LYS A 24 1.657 -5.067 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 24 1.054 -2.525 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.542 -4.988 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.057 -3.736 -13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.399 -4.608 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.698 -5.932 -11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.345 -5.641 -14.438 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.075 -5.780 -14.677 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.118 -7.677 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.268 -7.876 -14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.261 -9.227 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.404 -8.049 -15.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.227 -7.855 -13.846 1.00 0.00 H new ATOM 370 N GLU A 25 -1.289 -3.981 -9.653 1.00 0.00 N ATOM 371 CA GLU A 25 -2.551 -3.738 -8.964 1.00 0.00 C ATOM 372 C GLU A 25 -2.391 -2.618 -7.945 1.00 0.00 C ATOM 373 O GLU A 25 -3.329 -1.884 -7.648 1.00 0.00 O ATOM 374 CB GLU A 25 -3.033 -5.014 -8.272 1.00 0.00 C ATOM 375 CG GLU A 25 -3.281 -6.169 -9.229 1.00 0.00 C ATOM 376 CD GLU A 25 -4.055 -7.304 -8.587 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.291 -7.181 -8.458 1.00 0.00 O ATOM 378 OE2 GLU A 25 -3.424 -8.315 -8.213 1.00 0.00 O ATOM 0 H GLU A 25 -0.866 -4.888 -9.456 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.295 -3.437 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.292 -5.318 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.954 -4.798 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.831 -5.805 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.325 -6.546 -9.592 1.00 0.00 H new ATOM 385 N ILE A 26 -1.194 -2.516 -7.395 1.00 0.00 N ATOM 386 CA ILE A 26 -0.889 -1.493 -6.410 1.00 0.00 C ATOM 387 C ILE A 26 -1.022 -0.102 -7.012 1.00 0.00 C ATOM 388 O ILE A 26 -1.513 0.820 -6.366 1.00 0.00 O ATOM 389 CB ILE A 26 0.532 -1.683 -5.835 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.491 -2.651 -4.652 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.137 -0.351 -5.413 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.737 -3.497 -4.521 1.00 0.00 C ATOM 0 H ILE A 26 -0.413 -3.133 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.609 -1.594 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 26 1.165 -2.103 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.349 -2.083 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.374 -3.306 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.137 -0.516 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.197 0.311 -6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.511 0.107 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.638 -4.160 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.869 -4.092 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.603 -2.850 -4.383 1.00 0.00 H new ATOM 404 N GLN A 27 -0.542 0.051 -8.238 1.00 0.00 N ATOM 405 CA GLN A 27 -0.592 1.335 -8.920 1.00 0.00 C ATOM 406 C GLN A 27 -2.030 1.787 -9.136 1.00 0.00 C ATOM 407 O GLN A 27 -2.334 2.978 -9.049 1.00 0.00 O ATOM 408 CB GLN A 27 0.132 1.249 -10.266 1.00 0.00 C ATOM 409 CG GLN A 27 1.592 0.846 -10.145 1.00 0.00 C ATOM 410 CD GLN A 27 2.537 1.924 -10.636 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.284 2.572 -11.652 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.635 2.122 -9.915 1.00 0.00 N ATOM 0 H GLN A 27 -0.113 -0.699 -8.780 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.092 2.069 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.384 0.529 -10.901 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.071 2.216 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.817 0.618 -9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.761 -0.068 -10.715 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.805 1.562 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.309 2.834 -10.197 1.00 0.00 H new ATOM 421 N GLU A 28 -2.899 0.841 -9.469 1.00 0.00 N ATOM 422 CA GLU A 28 -4.298 1.160 -9.733 1.00 0.00 C ATOM 423 C GLU A 28 -5.079 1.369 -8.445 1.00 0.00 C ATOM 424 O GLU A 28 -6.140 1.994 -8.444 1.00 0.00 O ATOM 425 CB GLU A 28 -4.941 0.061 -10.566 1.00 0.00 C ATOM 426 CG GLU A 28 -5.065 -1.258 -9.838 1.00 0.00 C ATOM 427 CD GLU A 28 -6.501 -1.610 -9.497 1.00 0.00 C ATOM 428 OE1 GLU A 28 -7.321 -0.680 -9.350 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.803 -2.815 -9.377 1.00 0.00 O ATOM 0 H GLU A 28 -2.663 -0.147 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.324 2.095 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.932 0.388 -10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.353 -0.088 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.639 -2.049 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.478 -1.218 -8.920 1.00 0.00 H new ATOM 436 N ARG A 29 -4.556 0.833 -7.352 1.00 0.00 N ATOM 437 CA ARG A 29 -5.218 0.943 -6.061 1.00 0.00 C ATOM 438 C ARG A 29 -4.795 2.214 -5.328 1.00 0.00 C ATOM 439 O ARG A 29 -5.396 2.588 -4.322 1.00 0.00 O ATOM 440 CB ARG A 29 -4.915 -0.290 -5.205 1.00 0.00 C ATOM 441 CG ARG A 29 -3.534 -0.277 -4.577 1.00 0.00 C ATOM 442 CD ARG A 29 -3.514 -0.995 -3.236 1.00 0.00 C ATOM 443 NE ARG A 29 -2.952 -0.151 -2.190 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.692 0.276 -2.185 1.00 0.00 C ATOM 445 NH1 ARG A 29 -0.864 -0.081 -3.157 1.00 0.00 N ATOM 446 NH2 ARG A 29 -1.259 1.055 -1.208 1.00 0.00 N ATOM 0 H ARG A 29 -3.676 0.318 -7.334 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.292 0.999 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.662 -0.364 -4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.014 -1.183 -5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.823 -0.751 -5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.206 0.754 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.528 -1.288 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.929 -1.911 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.558 0.128 -1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.193 -0.684 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.102 0.248 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.891 1.330 -0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.293 1.381 -1.206 1.00 0.00 H new ATOM 460 N ILE A 30 -3.747 2.868 -5.827 1.00 0.00 N ATOM 461 CA ILE A 30 -3.259 4.102 -5.211 1.00 0.00 C ATOM 462 C ILE A 30 -4.334 5.188 -5.229 1.00 0.00 C ATOM 463 O ILE A 30 -5.017 5.372 -6.237 1.00 0.00 O ATOM 464 CB ILE A 30 -1.997 4.637 -5.920 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.847 3.633 -5.791 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.594 5.999 -5.357 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.295 3.504 -4.386 1.00 0.00 C ATOM 0 H ILE A 30 -3.223 2.568 -6.649 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.006 3.855 -4.180 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.225 4.765 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.193 2.655 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.041 3.932 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.702 6.356 -5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.407 6.709 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.384 5.905 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.515 2.775 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.084 4.471 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.086 3.174 -3.713 1.00 0.00 H new ATOM 479 N PRO A 31 -4.482 5.944 -4.123 1.00 0.00 N ATOM 480 CA PRO A 31 -5.466 7.025 -4.028 1.00 0.00 C ATOM 481 C PRO A 31 -5.381 7.994 -5.199 1.00 0.00 C ATOM 482 O PRO A 31 -4.318 8.537 -5.501 1.00 0.00 O ATOM 483 CB PRO A 31 -5.110 7.741 -2.721 1.00 0.00 C ATOM 484 CG PRO A 31 -3.790 7.190 -2.306 1.00 0.00 C ATOM 485 CD PRO A 31 -3.721 5.808 -2.876 1.00 0.00 C ATOM 0 HA PRO A 31 -6.484 6.637 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.055 8.820 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.867 7.561 -1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.974 7.808 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.700 7.169 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.693 5.495 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.165 5.070 -2.208 1.00 0.00 H new ATOM 493 N GLU A 32 -6.510 8.183 -5.863 1.00 0.00 N ATOM 494 CA GLU A 32 -6.603 9.080 -7.012 1.00 0.00 C ATOM 495 C GLU A 32 -6.254 10.521 -6.644 1.00 0.00 C ATOM 496 O GLU A 32 -6.236 11.400 -7.506 1.00 0.00 O ATOM 497 CB GLU A 32 -8.011 9.026 -7.609 1.00 0.00 C ATOM 498 CG GLU A 32 -8.188 7.939 -8.656 1.00 0.00 C ATOM 499 CD GLU A 32 -7.798 6.565 -8.146 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.327 6.151 -7.092 1.00 0.00 O ATOM 501 OE2 GLU A 32 -6.965 5.903 -8.800 1.00 0.00 O ATOM 0 H GLU A 32 -7.388 7.722 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.876 8.740 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.731 8.866 -6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.243 9.992 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.228 7.919 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.585 8.182 -9.531 1.00 0.00 H new ATOM 508 N GLY A 33 -5.983 10.763 -5.365 1.00 0.00 N ATOM 509 CA GLY A 33 -5.666 12.108 -4.919 1.00 0.00 C ATOM 510 C GLY A 33 -4.211 12.472 -5.132 1.00 0.00 C ATOM 511 O GLY A 33 -3.901 13.407 -5.871 1.00 0.00 O ATOM 0 H GLY A 33 -5.977 10.054 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.295 12.820 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.907 12.201 -3.860 1.00 0.00 H new ATOM 515 N THR A 34 -3.315 11.743 -4.475 1.00 0.00 N ATOM 516 CA THR A 34 -1.885 12.005 -4.590 1.00 0.00 C ATOM 517 C THR A 34 -1.177 10.879 -5.341 1.00 0.00 C ATOM 518 O THR A 34 -1.729 10.306 -6.280 1.00 0.00 O ATOM 519 CB THR A 34 -1.268 12.182 -3.199 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.273 12.451 -2.238 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.255 13.303 -3.131 1.00 0.00 C ATOM 0 H THR A 34 -3.554 10.967 -3.858 1.00 0.00 H new ATOM 0 HA THR A 34 -1.754 12.925 -5.159 1.00 0.00 H new ATOM 0 HB THR A 34 -0.758 11.242 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.746 13.274 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.142 13.373 -2.118 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.559 13.101 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.735 14.244 -3.398 1.00 0.00 H new ATOM 529 N GLU A 35 0.046 10.565 -4.919 1.00 0.00 N ATOM 530 CA GLU A 35 0.833 9.516 -5.555 1.00 0.00 C ATOM 531 C GLU A 35 1.462 8.604 -4.512 1.00 0.00 C ATOM 532 O GLU A 35 1.401 8.877 -3.313 1.00 0.00 O ATOM 533 CB GLU A 35 1.927 10.130 -6.430 1.00 0.00 C ATOM 534 CG GLU A 35 1.417 11.186 -7.396 1.00 0.00 C ATOM 535 CD GLU A 35 2.228 11.248 -8.675 1.00 0.00 C ATOM 536 OE1 GLU A 35 1.963 10.437 -9.587 1.00 0.00 O ATOM 537 OE2 GLU A 35 3.132 12.106 -8.764 1.00 0.00 O ATOM 0 H GLU A 35 0.513 11.025 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 35 0.164 8.923 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.687 10.575 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.414 9.337 -6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.376 10.976 -7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.440 12.160 -6.908 1.00 0.00 H new ATOM 544 N LEU A 36 2.074 7.525 -4.980 1.00 0.00 N ATOM 545 CA LEU A 36 2.716 6.564 -4.087 1.00 0.00 C ATOM 546 C LEU A 36 4.027 7.127 -3.542 1.00 0.00 C ATOM 547 O LEU A 36 4.367 8.282 -3.794 1.00 0.00 O ATOM 548 CB LEU A 36 2.979 5.236 -4.811 1.00 0.00 C ATOM 549 CG LEU A 36 2.855 5.279 -6.336 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.145 5.788 -6.962 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.502 3.904 -6.882 1.00 0.00 C ATOM 0 H LEU A 36 2.141 7.291 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 36 2.039 6.379 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.982 4.896 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.282 4.490 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 36 2.052 5.968 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.038 5.812 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.355 6.793 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.967 5.124 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.418 3.954 -7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.283 3.193 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.552 3.578 -6.459 1.00 0.00 H new ATOM 563 N HIS A 37 4.737 6.316 -2.761 1.00 0.00 N ATOM 564 CA HIS A 37 6.006 6.727 -2.167 1.00 0.00 C ATOM 565 C HIS A 37 7.081 5.673 -2.390 1.00 0.00 C ATOM 566 O HIS A 37 7.970 5.837 -3.226 1.00 0.00 O ATOM 567 CB HIS A 37 5.834 6.964 -0.668 1.00 0.00 C ATOM 568 CG HIS A 37 7.053 7.524 0.001 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.326 8.871 -0.014 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.027 6.881 0.688 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.454 9.018 0.658 1.00 0.00 C ATOM 572 NE2 HIS A 37 8.914 7.840 1.102 1.00 0.00 N ATOM 0 H HIS A 37 4.453 5.366 -2.524 1.00 0.00 H new ATOM 0 HA HIS A 37 6.317 7.653 -2.651 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.999 7.647 -0.511 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.569 6.021 -0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.092 5.819 0.873 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.943 9.966 0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.764 7.686 1.645 1.00 0.00 H new ATOM 580 N LYS A 38 6.962 4.574 -1.652 1.00 0.00 N ATOM 581 CA LYS A 38 7.923 3.478 -1.723 1.00 0.00 C ATOM 582 C LYS A 38 7.319 2.203 -1.146 1.00 0.00 C ATOM 583 O LYS A 38 6.803 2.201 -0.028 1.00 0.00 O ATOM 584 CB LYS A 38 9.194 3.833 -0.946 1.00 0.00 C ATOM 585 CG LYS A 38 10.182 4.684 -1.727 1.00 0.00 C ATOM 586 CD LYS A 38 10.720 3.948 -2.944 1.00 0.00 C ATOM 587 CE LYS A 38 12.053 4.520 -3.399 1.00 0.00 C ATOM 588 NZ LYS A 38 11.884 5.811 -4.123 1.00 0.00 N ATOM 0 H LYS A 38 6.201 4.418 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 38 8.175 3.314 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.914 4.363 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.688 2.911 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.696 5.606 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.010 4.968 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.839 2.891 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.998 4.013 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.698 4.671 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.554 3.802 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.815 6.169 -4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.289 5.663 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.429 6.504 -3.495 1.00 0.00 H new ATOM 602 N ILE A 39 7.375 1.122 -1.918 1.00 0.00 N ATOM 603 CA ILE A 39 6.803 -0.150 -1.495 1.00 0.00 C ATOM 604 C ILE A 39 7.841 -1.041 -0.814 1.00 0.00 C ATOM 605 O ILE A 39 9.040 -0.923 -1.068 1.00 0.00 O ATOM 606 CB ILE A 39 6.180 -0.904 -2.681 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.401 0.078 -3.566 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.276 -2.019 -2.173 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.450 -0.583 -4.539 1.00 0.00 C ATOM 0 H ILE A 39 7.811 1.102 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 39 6.021 0.085 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 39 6.970 -1.356 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.835 0.756 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.111 0.686 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.839 -2.548 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.860 -2.716 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.480 -1.592 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.940 0.181 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.010 -1.239 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.714 -1.168 -3.988 1.00 0.00 H new ATOM 621 N ASP A 40 7.362 -1.935 0.049 1.00 0.00 N ATOM 622 CA ASP A 40 8.231 -2.834 0.793 1.00 0.00 C ATOM 623 C ASP A 40 7.922 -4.293 0.475 1.00 0.00 C ATOM 624 O ASP A 40 6.788 -4.741 0.624 1.00 0.00 O ATOM 625 CB ASP A 40 8.041 -2.599 2.287 1.00 0.00 C ATOM 626 CG ASP A 40 8.439 -1.200 2.713 1.00 0.00 C ATOM 627 OD1 ASP A 40 7.891 -0.229 2.150 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.296 -1.074 3.612 1.00 0.00 O ATOM 0 H ASP A 40 6.369 -2.053 0.249 1.00 0.00 H new ATOM 0 HA ASP A 40 9.261 -2.628 0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.997 -2.771 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.632 -3.326 2.843 1.00 0.00 H new ATOM 633 N GLU A 41 8.934 -5.032 0.038 1.00 0.00 N ATOM 634 CA GLU A 41 8.770 -6.451 -0.257 1.00 0.00 C ATOM 635 C GLU A 41 9.040 -7.280 0.993 1.00 0.00 C ATOM 636 O GLU A 41 10.033 -8.003 1.071 1.00 0.00 O ATOM 637 CB GLU A 41 9.709 -6.877 -1.389 1.00 0.00 C ATOM 638 CG GLU A 41 9.575 -6.027 -2.642 1.00 0.00 C ATOM 639 CD GLU A 41 10.674 -6.297 -3.651 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.799 -5.794 -3.453 1.00 0.00 O ATOM 641 OE2 GLU A 41 10.408 -7.012 -4.641 1.00 0.00 O ATOM 0 H GLU A 41 9.876 -4.674 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 41 7.743 -6.622 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.738 -6.827 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.510 -7.918 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.607 -6.219 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.592 -4.973 -2.365 1.00 0.00 H new ATOM 648 N GLU A 42 8.172 -7.132 1.988 1.00 0.00 N ATOM 649 CA GLU A 42 8.337 -7.833 3.253 1.00 0.00 C ATOM 650 C GLU A 42 7.449 -9.066 3.333 1.00 0.00 C ATOM 651 O GLU A 42 6.357 -9.087 2.778 1.00 0.00 O ATOM 652 CB GLU A 42 8.042 -6.891 4.415 1.00 0.00 C ATOM 653 CG GLU A 42 9.294 -6.308 5.046 1.00 0.00 C ATOM 654 CD GLU A 42 10.431 -6.136 4.054 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.298 -5.298 3.139 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.453 -6.840 4.195 1.00 0.00 O ATOM 0 H GLU A 42 7.348 -6.533 1.942 1.00 0.00 H new ATOM 0 HA GLU A 42 9.372 -8.169 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.408 -6.077 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.476 -7.429 5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.055 -5.341 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.622 -6.958 5.858 1.00 0.00 H new ATOM 663 N PRO A 43 7.912 -10.114 4.035 1.00 0.00 N ATOM 664 CA PRO A 43 7.184 -11.365 4.163 1.00 0.00 C ATOM 665 C PRO A 43 6.283 -11.402 5.389 1.00 0.00 C ATOM 666 O PRO A 43 6.475 -10.647 6.342 1.00 0.00 O ATOM 667 CB PRO A 43 8.301 -12.401 4.279 1.00 0.00 C ATOM 668 CG PRO A 43 9.518 -11.656 4.759 1.00 0.00 C ATOM 669 CD PRO A 43 9.202 -10.178 4.728 1.00 0.00 C ATOM 0 HA PRO A 43 6.508 -11.533 3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.028 -13.191 4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.491 -12.878 3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.782 -11.968 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.375 -11.876 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.138 -9.761 5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.970 -9.615 4.198 1.00 0.00 H new ATOM 677 N ILE A 44 5.285 -12.278 5.341 1.00 0.00 N ATOM 678 CA ILE A 44 4.317 -12.402 6.421 1.00 0.00 C ATOM 679 C ILE A 44 4.193 -13.848 6.892 1.00 0.00 C ATOM 680 O ILE A 44 4.803 -14.242 7.886 1.00 0.00 O ATOM 681 CB ILE A 44 2.932 -11.893 5.980 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.088 -10.715 5.009 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.100 -11.494 7.190 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.703 -9.483 5.643 1.00 0.00 C ATOM 0 H ILE A 44 5.126 -12.915 4.560 1.00 0.00 H new ATOM 0 HA ILE A 44 4.679 -11.791 7.248 1.00 0.00 H new ATOM 0 HB ILE A 44 2.409 -12.698 5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.707 -11.028 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.109 -10.456 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.125 -11.137 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.968 -12.358 7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.610 -10.701 7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.782 -8.691 4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.074 -9.145 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.696 -9.726 6.022 1.00 0.00 H new ATOM 696 N ALA A 45 3.389 -14.629 6.177 1.00 0.00 N ATOM 697 CA ALA A 45 3.184 -16.033 6.513 1.00 0.00 C ATOM 698 C ALA A 45 4.463 -16.840 6.296 1.00 0.00 C ATOM 699 O ALA A 45 5.567 -16.312 6.419 1.00 0.00 O ATOM 700 CB ALA A 45 2.040 -16.606 5.689 1.00 0.00 C ATOM 0 H ALA A 45 2.868 -14.312 5.359 1.00 0.00 H new ATOM 0 HA ALA A 45 2.923 -16.100 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.895 -17.655 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.126 -16.051 5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.278 -16.523 4.629 1.00 0.00 H new ATOM 706 N PHE A 46 4.307 -18.119 5.966 1.00 0.00 N ATOM 707 CA PHE A 46 5.453 -18.987 5.729 1.00 0.00 C ATOM 708 C PHE A 46 6.138 -18.630 4.414 1.00 0.00 C ATOM 709 O PHE A 46 7.341 -18.834 4.255 1.00 0.00 O ATOM 710 CB PHE A 46 5.012 -20.452 5.710 1.00 0.00 C ATOM 711 CG PHE A 46 4.923 -21.070 7.078 1.00 0.00 C ATOM 712 CD1 PHE A 46 6.069 -21.461 7.751 1.00 0.00 C ATOM 713 CD2 PHE A 46 3.694 -21.255 7.689 1.00 0.00 C ATOM 714 CE1 PHE A 46 5.991 -22.028 9.009 1.00 0.00 C ATOM 715 CE2 PHE A 46 3.609 -21.822 8.947 1.00 0.00 C ATOM 716 CZ PHE A 46 4.759 -22.208 9.608 1.00 0.00 C ATOM 0 H PHE A 46 3.401 -18.575 5.857 1.00 0.00 H new ATOM 0 HA PHE A 46 6.166 -18.841 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.039 -20.524 5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.714 -21.027 5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.034 -21.321 7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.792 -20.953 7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.892 -22.330 9.523 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.645 -21.963 9.412 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.695 -22.650 10.591 1.00 0.00 H new ATOM 726 N GLY A 47 5.366 -18.080 3.480 1.00 0.00 N ATOM 727 CA GLY A 47 5.917 -17.699 2.192 1.00 0.00 C ATOM 728 C GLY A 47 5.125 -16.599 1.505 1.00 0.00 C ATOM 729 O GLY A 47 5.381 -16.279 0.344 1.00 0.00 O ATOM 0 H GLY A 47 4.370 -17.892 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.946 -17.366 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.948 -18.575 1.544 1.00 0.00 H new ATOM 733 N LEU A 48 4.156 -16.023 2.215 1.00 0.00 N ATOM 734 CA LEU A 48 3.335 -14.954 1.654 1.00 0.00 C ATOM 735 C LEU A 48 3.927 -13.586 1.979 1.00 0.00 C ATOM 736 O LEU A 48 3.822 -13.106 3.108 1.00 0.00 O ATOM 737 CB LEU A 48 1.897 -15.045 2.179 1.00 0.00 C ATOM 738 CG LEU A 48 1.304 -16.458 2.259 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.213 -16.392 2.372 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.709 -17.290 1.052 1.00 0.00 C ATOM 0 H LEU A 48 3.922 -16.278 3.175 1.00 0.00 H new ATOM 0 HA LEU A 48 3.320 -15.075 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.865 -14.601 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.257 -14.438 1.538 1.00 0.00 H new ATOM 0 HG LEU A 48 1.702 -16.941 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.618 -17.402 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.487 -15.841 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.621 -15.885 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.275 -18.286 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.347 -16.811 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.795 -17.370 1.013 1.00 0.00 H new ATOM 752 N VAL A 49 4.532 -12.958 0.978 1.00 0.00 N ATOM 753 CA VAL A 49 5.170 -11.659 1.156 1.00 0.00 C ATOM 754 C VAL A 49 4.222 -10.509 0.824 1.00 0.00 C ATOM 755 O VAL A 49 3.675 -10.434 -0.277 1.00 0.00 O ATOM 756 CB VAL A 49 6.436 -11.545 0.280 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.899 -10.098 0.153 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.547 -12.419 0.841 1.00 0.00 C ATOM 0 H VAL A 49 4.594 -13.329 0.030 1.00 0.00 H new ATOM 0 HA VAL A 49 5.446 -11.585 2.208 1.00 0.00 H new ATOM 0 HB VAL A 49 6.185 -11.898 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.792 -10.055 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.109 -9.502 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.127 -9.701 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.433 -12.328 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.786 -12.098 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.219 -13.458 0.858 1.00 0.00 H new ATOM 768 N ALA A 50 4.110 -9.573 1.760 1.00 0.00 N ATOM 769 CA ALA A 50 3.261 -8.403 1.590 1.00 0.00 C ATOM 770 C ALA A 50 4.054 -7.218 1.067 1.00 0.00 C ATOM 771 O ALA A 50 5.234 -7.057 1.377 1.00 0.00 O ATOM 772 CB ALA A 50 2.629 -8.020 2.916 1.00 0.00 C ATOM 0 H ALA A 50 4.603 -9.605 2.653 1.00 0.00 H new ATOM 0 HA ALA A 50 2.488 -8.660 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.996 -7.144 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.025 -8.849 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.412 -7.792 3.640 1.00 0.00 H new ATOM 778 N LEU A 51 3.384 -6.371 0.300 1.00 0.00 N ATOM 779 CA LEU A 51 4.002 -5.170 -0.228 1.00 0.00 C ATOM 780 C LEU A 51 3.479 -3.947 0.511 1.00 0.00 C ATOM 781 O LEU A 51 2.294 -3.621 0.434 1.00 0.00 O ATOM 782 CB LEU A 51 3.724 -5.045 -1.728 1.00 0.00 C ATOM 783 CG LEU A 51 4.654 -5.867 -2.626 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.511 -7.351 -2.327 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.366 -5.585 -4.092 1.00 0.00 C ATOM 0 H LEU A 51 2.408 -6.497 0.030 1.00 0.00 H new ATOM 0 HA LEU A 51 5.080 -5.235 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.695 -5.350 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.803 -3.995 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 51 5.683 -5.574 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.179 -7.919 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.769 -7.539 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.482 -7.661 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.036 -6.178 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.333 -5.849 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.523 -4.526 -4.296 1.00 0.00 H new ATOM 797 N ASN A 52 4.367 -3.279 1.235 1.00 0.00 N ATOM 798 CA ASN A 52 3.995 -2.099 2.000 1.00 0.00 C ATOM 799 C ASN A 52 4.144 -0.856 1.140 1.00 0.00 C ATOM 800 O ASN A 52 5.212 -0.248 1.077 1.00 0.00 O ATOM 801 CB ASN A 52 4.863 -1.984 3.253 1.00 0.00 C ATOM 802 CG ASN A 52 5.067 -3.319 3.942 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.260 -4.237 3.797 1.00 0.00 O ATOM 804 ND2 ASN A 52 6.149 -3.432 4.704 1.00 0.00 N ATOM 0 H ASN A 52 5.351 -3.536 1.308 1.00 0.00 H new ATOM 0 HA ASN A 52 2.954 -2.192 2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.833 -1.566 2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.399 -1.286 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.337 -4.305 5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.792 -2.646 4.796 1.00 0.00 H new ATOM 811 N VAL A 53 3.051 -0.485 0.489 1.00 0.00 N ATOM 812 CA VAL A 53 3.045 0.648 -0.419 1.00 0.00 C ATOM 813 C VAL A 53 2.797 1.956 0.318 1.00 0.00 C ATOM 814 O VAL A 53 1.671 2.260 0.710 1.00 0.00 O ATOM 815 CB VAL A 53 1.966 0.476 -1.504 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.154 1.501 -2.612 1.00 0.00 C ATOM 817 CG2 VAL A 53 1.992 -0.939 -2.064 1.00 0.00 C ATOM 0 H VAL A 53 2.151 -0.958 0.575 1.00 0.00 H new ATOM 0 HA VAL A 53 4.030 0.685 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 53 0.990 0.643 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.382 1.364 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.079 2.505 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.136 1.369 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.223 -1.042 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.969 -1.139 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.802 -1.652 -1.261 1.00 0.00 H new ATOM 827 N MET A 54 3.855 2.745 0.457 1.00 0.00 N ATOM 828 CA MET A 54 3.765 4.042 1.111 1.00 0.00 C ATOM 829 C MET A 54 3.326 5.100 0.113 1.00 0.00 C ATOM 830 O MET A 54 3.344 4.868 -1.093 1.00 0.00 O ATOM 831 CB MET A 54 5.118 4.425 1.716 1.00 0.00 C ATOM 832 CG MET A 54 5.579 3.489 2.821 1.00 0.00 C ATOM 833 SD MET A 54 7.360 3.558 3.091 1.00 0.00 S ATOM 834 CE MET A 54 7.553 2.340 4.390 1.00 0.00 C ATOM 0 H MET A 54 4.789 2.507 0.123 1.00 0.00 H new ATOM 0 HA MET A 54 3.027 3.980 1.910 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.869 4.438 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.055 5.438 2.113 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.065 3.745 3.747 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.293 2.468 2.570 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.605 2.267 4.667 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.968 2.640 5.260 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.203 1.371 4.035 1.00 0.00 H new ATOM 844 N VAL A 55 2.890 6.247 0.621 1.00 0.00 N ATOM 845 CA VAL A 55 2.416 7.325 -0.237 1.00 0.00 C ATOM 846 C VAL A 55 2.866 8.689 0.285 1.00 0.00 C ATOM 847 O VAL A 55 2.822 8.950 1.488 1.00 0.00 O ATOM 848 CB VAL A 55 0.876 7.302 -0.364 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.377 5.879 -0.548 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.216 7.937 0.849 1.00 0.00 C ATOM 0 H VAL A 55 2.855 6.454 1.619 1.00 0.00 H new ATOM 0 HA VAL A 55 2.854 7.165 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 55 0.605 7.886 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.709 5.883 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.812 5.455 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.670 5.277 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.867 7.907 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.499 7.387 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.542 8.973 0.940 1.00 0.00 H new ATOM 860 N VAL A 56 3.319 9.549 -0.623 1.00 0.00 N ATOM 861 CA VAL A 56 3.751 10.892 -0.245 1.00 0.00 C ATOM 862 C VAL A 56 2.613 11.892 -0.414 1.00 0.00 C ATOM 863 O VAL A 56 2.191 12.182 -1.534 1.00 0.00 O ATOM 864 CB VAL A 56 4.962 11.375 -1.072 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.052 11.905 -0.155 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.496 10.264 -1.961 1.00 0.00 C ATOM 0 H VAL A 56 3.396 9.343 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 56 4.049 10.835 0.802 1.00 0.00 H new ATOM 0 HB VAL A 56 4.630 12.187 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.899 12.242 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.663 12.741 0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.377 11.113 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.348 10.633 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.810 9.423 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.714 9.939 -2.647 1.00 0.00 H new ATOM 876 N VAL A 57 2.119 12.416 0.702 1.00 0.00 N ATOM 877 CA VAL A 57 1.030 13.384 0.673 1.00 0.00 C ATOM 878 C VAL A 57 1.362 14.609 1.518 1.00 0.00 C ATOM 879 O VAL A 57 1.999 14.498 2.565 1.00 0.00 O ATOM 880 CB VAL A 57 -0.290 12.766 1.171 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.703 11.604 0.281 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.164 12.317 2.619 1.00 0.00 C ATOM 0 H VAL A 57 2.455 12.187 1.637 1.00 0.00 H new ATOM 0 HA VAL A 57 0.905 13.688 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.066 13.530 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.638 11.179 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.842 11.959 -0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.074 10.840 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.108 11.884 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.626 11.571 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.081 13.175 3.246 1.00 0.00 H new ATOM 892 N GLY A 58 0.932 15.777 1.052 1.00 0.00 N ATOM 893 CA GLY A 58 1.194 17.006 1.779 1.00 0.00 C ATOM 894 C GLY A 58 0.567 18.214 1.112 1.00 0.00 C ATOM 895 O GLY A 58 -0.325 18.849 1.674 1.00 0.00 O ATOM 0 H GLY A 58 0.407 15.895 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.809 16.914 2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.271 17.156 1.859 1.00 0.00 H new ATOM 899 N ASP A 59 1.034 18.530 -0.092 1.00 0.00 N ATOM 900 CA ASP A 59 0.506 19.662 -0.843 1.00 0.00 C ATOM 901 C ASP A 59 -0.780 19.273 -1.560 1.00 0.00 C ATOM 902 O ASP A 59 -1.469 20.120 -2.129 1.00 0.00 O ATOM 903 CB ASP A 59 1.540 20.160 -1.856 1.00 0.00 C ATOM 904 CG ASP A 59 2.387 21.292 -1.310 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.917 22.448 -1.329 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.524 21.022 -0.867 1.00 0.00 O ATOM 0 H ASP A 59 1.777 18.018 -0.568 1.00 0.00 H new ATOM 0 HA ASP A 59 0.286 20.466 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.188 19.333 -2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.028 20.496 -2.758 1.00 0.00 H new ATOM 911 N ALA A 60 -1.090 17.984 -1.526 1.00 0.00 N ATOM 912 CA ALA A 60 -2.292 17.462 -2.162 1.00 0.00 C ATOM 913 C ALA A 60 -3.551 17.955 -1.454 1.00 0.00 C ATOM 914 O ALA A 60 -3.588 19.073 -0.937 1.00 0.00 O ATOM 915 CB ALA A 60 -2.245 15.943 -2.178 1.00 0.00 C ATOM 0 H ALA A 60 -0.521 17.276 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.328 17.829 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.146 15.556 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.369 15.612 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.187 15.570 -1.155 1.00 0.00 H new ATOM 921 N GLU A 61 -4.582 17.115 -1.430 1.00 0.00 N ATOM 922 CA GLU A 61 -5.842 17.465 -0.787 1.00 0.00 C ATOM 923 C GLU A 61 -6.508 16.231 -0.197 1.00 0.00 C ATOM 924 O GLU A 61 -5.871 15.188 -0.035 1.00 0.00 O ATOM 925 CB GLU A 61 -6.783 18.135 -1.791 1.00 0.00 C ATOM 926 CG GLU A 61 -6.571 17.679 -3.226 1.00 0.00 C ATOM 927 CD GLU A 61 -7.127 18.662 -4.238 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.367 18.781 -4.331 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.323 19.310 -4.941 1.00 0.00 O ATOM 0 H GLU A 61 -4.568 16.185 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.628 18.164 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.814 17.929 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.647 19.215 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.505 17.542 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.046 16.708 -3.369 1.00 0.00 H new ATOM 936 N GLY A 62 -7.797 16.345 0.103 1.00 0.00 N ATOM 937 CA GLY A 62 -8.529 15.220 0.648 1.00 0.00 C ATOM 938 C GLY A 62 -8.951 14.254 -0.436 1.00 0.00 C ATOM 939 O GLY A 62 -9.762 13.357 -0.202 1.00 0.00 O ATOM 0 H GLY A 62 -8.346 17.195 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.908 14.700 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.410 15.581 1.178 1.00 0.00 H new ATOM 943 N GLY A 63 -8.390 14.437 -1.628 1.00 0.00 N ATOM 944 CA GLY A 63 -8.712 13.569 -2.744 1.00 0.00 C ATOM 945 C GLY A 63 -8.153 12.172 -2.572 1.00 0.00 C ATOM 946 O GLY A 63 -8.479 11.268 -3.341 1.00 0.00 O ATOM 0 H GLY A 63 -7.717 15.173 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.795 13.512 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.319 14.003 -3.663 1.00 0.00 H new ATOM 950 N THR A 64 -7.314 11.990 -1.556 1.00 0.00 N ATOM 951 CA THR A 64 -6.727 10.684 -1.284 1.00 0.00 C ATOM 952 C THR A 64 -7.762 9.760 -0.661 1.00 0.00 C ATOM 953 O THR A 64 -7.500 8.578 -0.437 1.00 0.00 O ATOM 954 CB THR A 64 -5.515 10.809 -0.360 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.907 10.726 0.998 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.750 12.102 -0.541 1.00 0.00 C ATOM 0 H THR A 64 -7.027 12.727 -0.911 1.00 0.00 H new ATOM 0 HA THR A 64 -6.394 10.260 -2.231 1.00 0.00 H new ATOM 0 HB THR A 64 -4.861 9.981 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.117 10.806 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.904 12.123 0.146 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.387 12.169 -1.567 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.408 12.946 -0.333 1.00 0.00 H new ATOM 964 N GLU A 65 -8.940 10.312 -0.382 1.00 0.00 N ATOM 965 CA GLU A 65 -10.040 9.535 0.170 1.00 0.00 C ATOM 966 C GLU A 65 -10.335 8.342 -0.721 1.00 0.00 C ATOM 967 O GLU A 65 -10.868 7.325 -0.276 1.00 0.00 O ATOM 968 CB GLU A 65 -11.290 10.404 0.285 1.00 0.00 C ATOM 969 CG GLU A 65 -11.688 11.072 -1.021 1.00 0.00 C ATOM 970 CD GLU A 65 -13.169 11.389 -1.087 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.984 10.455 -0.932 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.514 12.571 -1.294 1.00 0.00 O ATOM 0 H GLU A 65 -9.155 11.298 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.754 9.182 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.119 9.789 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.120 11.172 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.118 11.993 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.422 10.421 -1.854 1.00 0.00 H new ATOM 979 N ALA A 66 -9.958 8.481 -1.984 1.00 0.00 N ATOM 980 CA ALA A 66 -10.175 7.437 -2.977 1.00 0.00 C ATOM 981 C ALA A 66 -9.526 6.130 -2.544 1.00 0.00 C ATOM 982 O ALA A 66 -10.011 5.051 -2.873 1.00 0.00 O ATOM 983 CB ALA A 66 -9.631 7.873 -4.329 1.00 0.00 C ATOM 0 H ALA A 66 -9.496 9.314 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.249 7.271 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.800 7.083 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.141 8.781 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.562 8.067 -4.245 1.00 0.00 H new ATOM 989 N ALA A 67 -8.460 6.234 -1.757 1.00 0.00 N ATOM 990 CA ALA A 67 -7.761 5.056 -1.264 1.00 0.00 C ATOM 991 C ALA A 67 -8.699 4.199 -0.423 1.00 0.00 C ATOM 992 O ALA A 67 -8.923 3.027 -0.727 1.00 0.00 O ATOM 993 CB ALA A 67 -6.540 5.464 -0.453 1.00 0.00 C ATOM 0 H ALA A 67 -8.063 7.121 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.426 4.467 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.029 4.572 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.862 6.041 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.854 6.071 0.396 1.00 0.00 H new ATOM 999 N GLU A 68 -9.277 4.803 0.611 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.220 4.102 1.472 1.00 0.00 C ATOM 1001 C GLU A 68 -11.410 3.598 0.661 1.00 0.00 C ATOM 1002 O GLU A 68 -11.972 2.542 0.954 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.704 5.024 2.592 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.581 5.575 3.454 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.015 5.834 4.884 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.157 6.299 5.082 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.212 5.574 5.805 1.00 0.00 O ATOM 0 H GLU A 68 -9.108 5.775 0.872 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.710 3.246 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.256 5.856 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.402 4.477 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.749 4.871 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.214 6.503 3.016 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.806 4.376 -0.344 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.914 4.002 -1.211 1.00 0.00 C ATOM 1016 C GLU A 69 -12.602 2.703 -1.941 1.00 0.00 C ATOM 1017 O GLU A 69 -13.407 1.771 -1.953 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.199 5.115 -2.221 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.606 5.681 -2.122 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.572 5.007 -3.077 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.697 3.765 -3.016 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.204 5.719 -3.884 1.00 0.00 O ATOM 0 H GLU A 69 -11.373 5.270 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.799 3.853 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.481 5.921 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.042 4.729 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.970 5.565 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.580 6.750 -2.332 1.00 0.00 H new ATOM 1029 N SER A 70 -11.431 2.661 -2.569 1.00 0.00 N ATOM 1030 CA SER A 70 -10.987 1.478 -3.290 1.00 0.00 C ATOM 1031 C SER A 70 -10.782 0.314 -2.332 1.00 0.00 C ATOM 1032 O SER A 70 -10.794 -0.845 -2.740 1.00 0.00 O ATOM 1033 CB SER A 70 -9.689 1.772 -4.044 1.00 0.00 C ATOM 1034 OG SER A 70 -9.475 0.828 -5.079 1.00 0.00 O ATOM 0 H SER A 70 -10.771 3.438 -2.592 1.00 0.00 H new ATOM 0 HA SER A 70 -11.759 1.205 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.730 2.776 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.849 1.752 -3.350 1.00 0.00 H new ATOM 0 HG SER A 70 -8.640 1.039 -5.547 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.617 0.635 -1.051 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.404 -0.380 -0.026 1.00 0.00 C ATOM 1042 C LEU A 71 -11.693 -1.144 0.252 1.00 0.00 C ATOM 1043 O LEU A 71 -11.663 -2.314 0.636 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.898 0.271 1.263 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.478 -0.119 1.686 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.377 -1.621 1.907 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.464 0.341 0.649 1.00 0.00 C ATOM 0 H LEU A 71 -10.627 1.592 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.655 -1.083 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.938 1.354 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.582 0.015 2.072 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.253 0.380 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.361 -1.877 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.073 -1.921 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.625 -2.142 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.462 0.055 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.687 -0.126 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.516 1.425 0.545 1.00 0.00 H new ATOM 1059 N SER A 72 -12.823 -0.478 0.042 1.00 0.00 N ATOM 1060 CA SER A 72 -14.128 -1.089 0.259 1.00 0.00 C ATOM 1061 C SER A 72 -14.342 -2.264 -0.694 1.00 0.00 C ATOM 1062 O SER A 72 -15.232 -3.090 -0.489 1.00 0.00 O ATOM 1063 CB SER A 72 -15.231 -0.048 0.064 1.00 0.00 C ATOM 1064 OG SER A 72 -16.188 -0.116 1.106 1.00 0.00 O ATOM 0 H SER A 72 -12.861 0.489 -0.280 1.00 0.00 H new ATOM 0 HA SER A 72 -14.167 -1.465 1.281 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.792 0.949 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.722 -0.210 -0.896 1.00 0.00 H new ATOM 0 HG SER A 72 -16.881 0.561 0.958 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.511 -2.331 -1.729 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.603 -3.407 -2.700 1.00 0.00 C ATOM 1072 C GLY A 73 -12.261 -3.710 -3.332 1.00 0.00 C ATOM 1073 O GLY A 73 -12.183 -4.144 -4.481 1.00 0.00 O ATOM 0 H GLY A 73 -12.770 -1.654 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.986 -4.304 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.318 -3.135 -3.477 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.203 -3.463 -2.570 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.839 -3.678 -3.035 1.00 0.00 C ATOM 1079 C ILE A 74 -9.505 -5.172 -3.096 1.00 0.00 C ATOM 1080 O ILE A 74 -10.405 -6.011 -3.116 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.838 -2.935 -2.117 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.569 -2.562 -2.886 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.504 -3.760 -0.882 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.180 -1.108 -2.733 1.00 0.00 C ATOM 0 H ILE A 74 -11.266 -3.109 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.756 -3.276 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.314 -2.014 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.747 -3.189 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.716 -2.782 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.799 -3.211 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.415 -3.954 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.058 -4.707 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.272 -0.912 -3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.986 -0.475 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.001 -0.888 -1.680 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.211 -5.492 -3.136 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.752 -6.877 -3.182 1.00 0.00 C ATOM 1098 C GLU A 75 -8.397 -7.699 -2.065 1.00 0.00 C ATOM 1099 O GLU A 75 -7.888 -7.759 -0.945 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.224 -6.909 -3.059 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.683 -6.011 -1.958 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.951 -4.797 -2.499 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -5.088 -4.510 -3.706 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.242 -4.134 -1.714 1.00 0.00 O ATOM 0 H GLU A 75 -7.459 -4.803 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.046 -7.318 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.904 -7.934 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.785 -6.608 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.507 -5.681 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.007 -6.586 -1.325 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.537 -8.313 -2.380 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.269 -9.096 -1.399 1.00 0.00 C ATOM 1113 C GLY A 76 -9.474 -10.269 -0.864 1.00 0.00 C ATOM 1114 O GLY A 76 -9.731 -10.749 0.239 1.00 0.00 O ATOM 0 H GLY A 76 -9.968 -8.281 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.557 -8.451 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.190 -9.464 -1.851 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.503 -10.728 -1.643 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.666 -11.847 -1.233 1.00 0.00 C ATOM 1120 C VAL A 77 -6.492 -11.354 -0.406 1.00 0.00 C ATOM 1121 O VAL A 77 -6.091 -11.984 0.571 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.139 -12.632 -2.453 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -5.950 -11.931 -3.097 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -6.773 -14.053 -2.052 1.00 0.00 C ATOM 0 H VAL A 77 -8.276 -10.343 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.283 -12.514 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.937 -12.673 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.605 -12.512 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.250 -10.937 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.143 -11.842 -2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.403 -14.593 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.998 -14.027 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.655 -14.559 -1.659 1.00 0.00 H new ATOM 1134 N SER A 78 -5.980 -10.196 -0.787 1.00 0.00 N ATOM 1135 CA SER A 78 -4.854 -9.588 -0.105 1.00 0.00 C ATOM 1136 C SER A 78 -5.334 -8.573 0.919 1.00 0.00 C ATOM 1137 O SER A 78 -5.550 -7.407 0.592 1.00 0.00 O ATOM 1138 CB SER A 78 -3.931 -8.900 -1.120 1.00 0.00 C ATOM 1139 OG SER A 78 -3.114 -7.932 -0.488 1.00 0.00 O ATOM 0 H SER A 78 -6.333 -9.654 -1.575 1.00 0.00 H new ATOM 0 HA SER A 78 -4.301 -10.373 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.305 -9.645 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.529 -8.425 -1.897 1.00 0.00 H new ATOM 0 HG SER A 78 -3.677 -7.301 0.007 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.504 -9.010 2.161 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.909 -8.082 3.212 1.00 0.00 C ATOM 1147 C ASN A 79 -4.718 -7.250 3.604 1.00 0.00 C ATOM 1148 O ASN A 79 -3.626 -7.770 3.838 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.473 -8.783 4.446 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.435 -7.892 5.231 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -7.080 -6.611 5.433 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -8.496 -8.350 5.656 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.372 -9.976 2.462 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.711 -7.461 2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.991 -9.692 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.652 -9.088 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.735 -9.327 5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.136 -7.753 6.179 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.928 -5.958 3.653 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.855 -5.040 3.908 1.00 0.00 C ATOM 1161 C ILE A 80 -3.837 -4.550 5.344 1.00 0.00 C ATOM 1162 O ILE A 80 -4.882 -4.367 5.969 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.989 -3.823 2.990 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.241 -4.260 1.547 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.755 -2.957 3.087 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.702 -4.246 1.161 1.00 0.00 C ATOM 0 H ILE A 80 -5.839 -5.520 3.518 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.927 -5.579 3.718 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.847 -3.234 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.689 -3.603 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.845 -5.266 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.863 -2.095 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.630 -2.616 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.881 -3.535 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.808 -4.567 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.256 -4.925 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.098 -3.236 1.270 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.635 -4.283 5.835 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.467 -3.674 7.134 1.00 0.00 C ATOM 1180 C GLU A 81 -2.563 -2.178 6.925 1.00 0.00 C ATOM 1181 O GLU A 81 -1.559 -1.465 6.893 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.122 -4.053 7.756 1.00 0.00 C ATOM 1183 CG GLU A 81 -0.965 -3.590 9.195 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.964 -4.740 10.182 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.118 -5.316 10.421 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.046 -5.066 10.715 1.00 0.00 O ATOM 0 H GLU A 81 -1.762 -4.482 5.346 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.234 -4.024 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.005 -5.136 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.320 -3.624 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.034 -3.031 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.776 -2.905 9.442 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.782 -1.746 6.642 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.060 -0.369 6.290 1.00 0.00 C ATOM 1195 C VAL A 82 -4.149 0.509 7.536 1.00 0.00 C ATOM 1196 O VAL A 82 -5.144 1.197 7.772 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.371 -0.293 5.476 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.682 1.143 5.085 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.277 -1.170 4.242 1.00 0.00 C ATOM 0 H VAL A 82 -4.607 -2.346 6.651 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.239 0.006 5.679 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.185 -0.658 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.609 1.172 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.792 1.749 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.868 1.539 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.208 -1.106 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.451 -0.831 3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.105 -2.204 4.542 1.00 0.00 H new ATOM 1209 N THR A 83 -3.118 0.426 8.365 1.00 0.00 N ATOM 1210 CA THR A 83 -3.058 1.213 9.586 1.00 0.00 C ATOM 1211 C THR A 83 -1.698 1.886 9.764 1.00 0.00 C ATOM 1212 O THR A 83 -1.417 2.438 10.828 1.00 0.00 O ATOM 1213 CB THR A 83 -3.356 0.326 10.796 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.312 -0.667 10.466 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.883 1.097 11.985 1.00 0.00 C ATOM 0 H THR A 83 -2.311 -0.180 8.213 1.00 0.00 H new ATOM 0 HA THR A 83 -3.811 1.997 9.508 1.00 0.00 H new ATOM 0 HB THR A 83 -2.401 -0.123 11.070 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.488 -1.225 11.252 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.074 0.409 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.146 1.838 12.294 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.810 1.600 11.710 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.821 1.773 8.766 1.00 0.00 N ATOM 1224 CA ASP A 84 0.511 2.349 8.882 1.00 0.00 C ATOM 1225 C ASP A 84 0.515 3.824 8.492 1.00 0.00 C ATOM 1226 O ASP A 84 -0.010 4.201 7.445 1.00 0.00 O ATOM 1227 CB ASP A 84 1.500 1.564 8.026 1.00 0.00 C ATOM 1228 CG ASP A 84 1.746 0.167 8.561 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.762 -0.581 8.739 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.921 -0.179 8.801 1.00 0.00 O ATOM 0 H ASP A 84 -1.008 1.296 7.884 1.00 0.00 H new ATOM 0 HA ASP A 84 0.818 2.283 9.926 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.121 1.498 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.446 2.104 7.980 1.00 0.00 H new