USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.0964 (180deg=-1.69) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= 0.39 (180deg=-0.102) USER MOD Single : A 11 MET CE :methyl -161:sc= -1.64 (180deg=-3.21!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -156:sc= -0.0709 (180deg=-0.504) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -2.31! K(o=-2.3!,f=-1.8) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.508 USER MOD Single : A 37 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-8.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.61! C(o=-6.6!,f=-5.2!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -48:sc= 0.813 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -80:sc= -1.87 USER MOD Single : A 79 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.97) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 151:sc= -0.375 (180deg=-1.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.484 15.909 9.554 1.00 0.00 N ATOM 2 CA MET A 1 9.952 16.641 8.350 1.00 0.00 C ATOM 3 C MET A 1 8.973 17.750 7.961 1.00 0.00 C ATOM 4 O MET A 1 9.167 18.915 8.309 1.00 0.00 O ATOM 5 CB MET A 1 10.114 15.639 7.203 1.00 0.00 C ATOM 6 CG MET A 1 10.508 16.277 5.881 1.00 0.00 C ATOM 7 SD MET A 1 12.254 16.724 5.816 1.00 0.00 S ATOM 8 CE MET A 1 12.292 17.720 4.328 1.00 0.00 C ATOM 0 H1 MET A 1 9.846 14.934 9.531 1.00 0.00 H new ATOM 0 H2 MET A 1 9.833 16.388 10.409 1.00 0.00 H new ATOM 0 H3 MET A 1 8.444 15.891 9.567 1.00 0.00 H new ATOM 0 HA MET A 1 10.909 17.116 8.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.869 14.903 7.480 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.177 15.099 7.070 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.284 15.586 5.068 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.903 17.169 5.718 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.308 18.072 4.152 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.964 17.119 3.480 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.627 18.576 4.446 1.00 0.00 H new ATOM 20 N GLY A 2 7.924 17.371 7.240 1.00 0.00 N ATOM 21 CA GLY A 2 6.917 18.323 6.805 1.00 0.00 C ATOM 22 C GLY A 2 5.915 17.675 5.870 1.00 0.00 C ATOM 23 O GLY A 2 4.861 18.239 5.578 1.00 0.00 O ATOM 0 H GLY A 2 7.751 16.410 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.398 18.729 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.399 19.161 6.301 1.00 0.00 H new ATOM 27 N ASP A 3 6.297 16.514 5.348 1.00 0.00 N ATOM 28 CA ASP A 3 5.447 15.744 4.444 1.00 0.00 C ATOM 29 C ASP A 3 4.657 14.679 5.198 1.00 0.00 C ATOM 30 O ASP A 3 5.055 14.243 6.276 1.00 0.00 O ATOM 31 CB ASP A 3 6.293 15.086 3.352 1.00 0.00 C ATOM 32 CG ASP A 3 7.234 16.065 2.678 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.765 16.844 1.821 1.00 0.00 O ATOM 34 OD2 ASP A 3 8.439 16.050 3.003 1.00 0.00 O ATOM 0 H ASP A 3 7.201 16.081 5.538 1.00 0.00 H new ATOM 0 HA ASP A 3 4.739 16.434 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.872 14.271 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.635 14.645 2.603 1.00 0.00 H new ATOM 39 N VAL A 4 3.547 14.246 4.609 1.00 0.00 N ATOM 40 CA VAL A 4 2.728 13.193 5.197 1.00 0.00 C ATOM 41 C VAL A 4 2.889 11.883 4.424 1.00 0.00 C ATOM 42 O VAL A 4 2.468 11.780 3.272 1.00 0.00 O ATOM 43 CB VAL A 4 1.240 13.581 5.225 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.519 12.831 6.330 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.079 15.085 5.398 1.00 0.00 C ATOM 0 H VAL A 4 3.194 14.609 3.724 1.00 0.00 H new ATOM 0 HA VAL A 4 3.074 13.057 6.222 1.00 0.00 H new ATOM 0 HB VAL A 4 0.792 13.301 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.533 13.116 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.603 11.758 6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.969 13.079 7.291 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.019 15.338 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.541 15.395 6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.562 15.600 4.568 1.00 0.00 H new ATOM 55 N VAL A 5 3.499 10.885 5.060 1.00 0.00 N ATOM 56 CA VAL A 5 3.727 9.594 4.410 1.00 0.00 C ATOM 57 C VAL A 5 2.841 8.498 5.001 1.00 0.00 C ATOM 58 O VAL A 5 2.967 8.154 6.175 1.00 0.00 O ATOM 59 CB VAL A 5 5.201 9.155 4.535 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.611 8.314 3.337 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.114 10.364 4.682 1.00 0.00 C ATOM 0 H VAL A 5 3.843 10.943 6.019 1.00 0.00 H new ATOM 0 HA VAL A 5 3.474 9.732 3.359 1.00 0.00 H new ATOM 0 HB VAL A 5 5.301 8.545 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.653 8.014 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.981 7.426 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.493 8.898 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.148 10.031 4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.012 11.006 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.837 10.923 5.576 1.00 0.00 H new ATOM 71 N ALA A 6 1.958 7.937 4.175 1.00 0.00 N ATOM 72 CA ALA A 6 1.083 6.849 4.610 1.00 0.00 C ATOM 73 C ALA A 6 1.654 5.503 4.173 1.00 0.00 C ATOM 74 O ALA A 6 2.559 5.455 3.343 1.00 0.00 O ATOM 75 CB ALA A 6 -0.320 7.039 4.051 1.00 0.00 C ATOM 0 H ALA A 6 1.830 8.217 3.203 1.00 0.00 H new ATOM 0 HA ALA A 6 1.025 6.864 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.958 6.221 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.728 7.985 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.280 7.047 2.962 1.00 0.00 H new ATOM 81 N THR A 7 1.138 4.411 4.737 1.00 0.00 N ATOM 82 CA THR A 7 1.631 3.083 4.381 1.00 0.00 C ATOM 83 C THR A 7 0.514 2.037 4.342 1.00 0.00 C ATOM 84 O THR A 7 -0.286 1.904 5.281 1.00 0.00 O ATOM 85 CB THR A 7 2.726 2.643 5.344 1.00 0.00 C ATOM 86 OG1 THR A 7 3.637 3.701 5.589 1.00 0.00 O ATOM 87 CG2 THR A 7 3.518 1.458 4.836 1.00 0.00 C ATOM 0 H THR A 7 0.391 4.419 5.431 1.00 0.00 H new ATOM 0 HA THR A 7 2.043 3.158 3.375 1.00 0.00 H new ATOM 0 HB THR A 7 2.211 2.353 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.331 3.398 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.283 1.192 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.849 0.611 4.686 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.994 1.717 3.890 1.00 0.00 H new ATOM 95 N ILE A 8 0.524 1.258 3.259 1.00 0.00 N ATOM 96 CA ILE A 8 -0.467 0.214 3.018 1.00 0.00 C ATOM 97 C ILE A 8 0.224 -1.133 2.752 1.00 0.00 C ATOM 98 O ILE A 8 0.867 -1.308 1.719 1.00 0.00 O ATOM 99 CB ILE A 8 -1.335 0.590 1.801 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.791 2.053 1.893 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.523 -0.338 1.681 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.907 2.294 2.890 1.00 0.00 C ATOM 0 H ILE A 8 1.225 1.336 2.522 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.095 0.122 3.904 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.729 0.479 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.936 2.672 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.122 2.381 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.121 -0.053 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.173 -1.363 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.132 -0.267 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.170 3.352 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.780 1.704 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.575 1.999 3.886 1.00 0.00 H new ATOM 114 N LYS A 9 0.141 -2.058 3.713 1.00 0.00 N ATOM 115 CA LYS A 9 0.800 -3.367 3.586 1.00 0.00 C ATOM 116 C LYS A 9 -0.155 -4.440 3.071 1.00 0.00 C ATOM 117 O LYS A 9 -0.862 -5.077 3.848 1.00 0.00 O ATOM 118 CB LYS A 9 1.381 -3.808 4.926 1.00 0.00 C ATOM 119 CG LYS A 9 1.528 -2.683 5.942 1.00 0.00 C ATOM 120 CD LYS A 9 2.977 -2.270 6.121 1.00 0.00 C ATOM 121 CE LYS A 9 3.750 -3.281 6.955 1.00 0.00 C ATOM 122 NZ LYS A 9 3.296 -3.294 8.373 1.00 0.00 N ATOM 0 H LYS A 9 -0.373 -1.928 4.585 1.00 0.00 H new ATOM 0 HA LYS A 9 1.603 -3.248 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.742 -4.583 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.359 -4.258 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.942 -1.823 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.121 -3.004 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.449 -2.166 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.020 -1.292 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.628 -4.275 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.814 -3.046 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.071 -3.623 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.016 -2.333 8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.483 -3.934 8.471 1.00 0.00 H new ATOM 136 N VAL A 10 -0.143 -4.663 1.768 1.00 0.00 N ATOM 137 CA VAL A 10 -1.057 -5.623 1.144 1.00 0.00 C ATOM 138 C VAL A 10 -0.434 -7.016 1.028 1.00 0.00 C ATOM 139 O VAL A 10 0.734 -7.155 0.669 1.00 0.00 O ATOM 140 CB VAL A 10 -1.530 -5.122 -0.249 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.186 -3.649 -0.432 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.951 -5.953 -1.385 1.00 0.00 C ATOM 0 H VAL A 10 0.487 -4.196 1.116 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.926 -5.704 1.797 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.613 -5.239 -0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.525 -3.315 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.680 -3.061 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.107 -3.515 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.309 -5.565 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.137 -5.899 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.266 -6.991 -1.274 1.00 0.00 H new ATOM 152 N MET A 11 -1.222 -8.047 1.346 1.00 0.00 N ATOM 153 CA MET A 11 -0.742 -9.426 1.273 1.00 0.00 C ATOM 154 C MET A 11 -1.861 -10.397 0.860 1.00 0.00 C ATOM 155 O MET A 11 -2.866 -10.549 1.564 1.00 0.00 O ATOM 156 CB MET A 11 -0.105 -9.839 2.616 1.00 0.00 C ATOM 157 CG MET A 11 -0.735 -11.052 3.295 1.00 0.00 C ATOM 158 SD MET A 11 0.396 -12.449 3.411 1.00 0.00 S ATOM 159 CE MET A 11 -0.741 -13.767 3.834 1.00 0.00 C ATOM 0 H MET A 11 -2.190 -7.952 1.655 1.00 0.00 H new ATOM 0 HA MET A 11 0.022 -9.479 0.498 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.952 -10.046 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.160 -8.992 3.300 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.065 -10.773 4.296 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.623 -11.354 2.740 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.187 -14.601 4.265 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.468 -13.401 4.559 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.260 -14.102 2.936 1.00 0.00 H new ATOM 169 N PRO A 12 -1.686 -11.080 -0.290 1.00 0.00 N ATOM 170 CA PRO A 12 -2.651 -12.066 -0.800 1.00 0.00 C ATOM 171 C PRO A 12 -2.707 -13.312 0.079 1.00 0.00 C ATOM 172 O PRO A 12 -1.693 -13.972 0.302 1.00 0.00 O ATOM 173 CB PRO A 12 -2.113 -12.422 -2.195 1.00 0.00 C ATOM 174 CG PRO A 12 -1.131 -11.348 -2.513 1.00 0.00 C ATOM 175 CD PRO A 12 -0.541 -10.944 -1.194 1.00 0.00 C ATOM 0 HA PRO A 12 -3.666 -11.670 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.639 -13.404 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.916 -12.454 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.360 -11.709 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.617 -10.503 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.287 -11.590 -0.903 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.157 -9.924 -1.215 1.00 0.00 H new ATOM 183 N GLU A 13 -3.893 -13.606 0.596 1.00 0.00 N ATOM 184 CA GLU A 13 -4.090 -14.765 1.459 1.00 0.00 C ATOM 185 C GLU A 13 -3.687 -16.055 0.755 1.00 0.00 C ATOM 186 O GLU A 13 -3.292 -17.027 1.398 1.00 0.00 O ATOM 187 CB GLU A 13 -5.550 -14.850 1.907 1.00 0.00 C ATOM 188 CG GLU A 13 -5.850 -14.034 3.153 1.00 0.00 C ATOM 189 CD GLU A 13 -5.852 -14.872 4.416 1.00 0.00 C ATOM 190 OE1 GLU A 13 -4.937 -15.708 4.576 1.00 0.00 O ATOM 191 OE2 GLU A 13 -6.768 -14.694 5.245 1.00 0.00 O ATOM 0 H GLU A 13 -4.736 -13.056 0.432 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.452 -14.642 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.191 -14.508 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.804 -15.893 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.109 -13.241 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.821 -13.551 3.041 1.00 0.00 H new ATOM 198 N SER A 14 -3.815 -16.065 -0.567 1.00 0.00 N ATOM 199 CA SER A 14 -3.472 -17.242 -1.355 1.00 0.00 C ATOM 200 C SER A 14 -1.962 -17.364 -1.531 1.00 0.00 C ATOM 201 O SER A 14 -1.249 -16.360 -1.552 1.00 0.00 O ATOM 202 CB SER A 14 -4.153 -17.180 -2.724 1.00 0.00 C ATOM 203 OG SER A 14 -5.363 -17.918 -2.725 1.00 0.00 O ATOM 0 H SER A 14 -4.153 -15.273 -1.114 1.00 0.00 H new ATOM 0 HA SER A 14 -3.827 -18.122 -0.818 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.356 -16.142 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.481 -17.575 -3.486 1.00 0.00 H new ATOM 0 HG SER A 14 -5.780 -17.862 -3.610 1.00 0.00 H new ATOM 209 N PRO A 15 -1.450 -18.601 -1.664 1.00 0.00 N ATOM 210 CA PRO A 15 -0.014 -18.844 -1.843 1.00 0.00 C ATOM 211 C PRO A 15 0.499 -18.294 -3.168 1.00 0.00 C ATOM 212 O PRO A 15 1.702 -18.290 -3.428 1.00 0.00 O ATOM 213 CB PRO A 15 0.103 -20.370 -1.812 1.00 0.00 C ATOM 214 CG PRO A 15 -1.249 -20.866 -2.194 1.00 0.00 C ATOM 215 CD PRO A 15 -2.224 -19.857 -1.654 1.00 0.00 C ATOM 0 HA PRO A 15 0.582 -18.348 -1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.864 -20.722 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.389 -20.724 -0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.340 -20.957 -3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.436 -21.854 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.116 -19.785 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.557 -20.117 -0.649 1.00 0.00 H new ATOM 223 N ASP A 16 -0.425 -17.841 -4.010 1.00 0.00 N ATOM 224 CA ASP A 16 -0.069 -17.272 -5.303 1.00 0.00 C ATOM 225 C ASP A 16 0.110 -15.764 -5.191 1.00 0.00 C ATOM 226 O ASP A 16 -0.246 -15.017 -6.103 1.00 0.00 O ATOM 227 CB ASP A 16 -1.145 -17.598 -6.341 1.00 0.00 C ATOM 228 CG ASP A 16 -0.855 -18.882 -7.092 1.00 0.00 C ATOM 229 OD1 ASP A 16 0.274 -19.026 -7.608 1.00 0.00 O ATOM 230 OD2 ASP A 16 -1.754 -19.746 -7.162 1.00 0.00 O ATOM 0 H ASP A 16 -1.427 -17.858 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 16 0.875 -17.712 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.112 -17.682 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.222 -16.775 -7.051 1.00 0.00 H new ATOM 235 N VAL A 17 0.649 -15.322 -4.058 1.00 0.00 N ATOM 236 CA VAL A 17 0.862 -13.900 -3.819 1.00 0.00 C ATOM 237 C VAL A 17 1.950 -13.354 -4.754 1.00 0.00 C ATOM 238 O VAL A 17 3.138 -13.335 -4.427 1.00 0.00 O ATOM 239 CB VAL A 17 1.172 -13.598 -2.322 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.586 -14.855 -1.588 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.209 -12.495 -2.139 1.00 0.00 C ATOM 0 H VAL A 17 0.945 -15.928 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.068 -13.380 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 17 0.245 -13.228 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.796 -14.615 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.780 -15.587 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.481 -15.270 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.382 -12.331 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.143 -12.791 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.844 -11.574 -2.594 1.00 0.00 H new ATOM 251 N ASP A 18 1.537 -13.033 -5.974 1.00 0.00 N ATOM 252 CA ASP A 18 2.439 -12.462 -6.966 1.00 0.00 C ATOM 253 C ASP A 18 2.743 -11.012 -6.613 1.00 0.00 C ATOM 254 O ASP A 18 1.921 -10.130 -6.845 1.00 0.00 O ATOM 255 CB ASP A 18 1.823 -12.551 -8.362 1.00 0.00 C ATOM 256 CG ASP A 18 2.018 -13.916 -8.993 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.246 -14.840 -8.659 1.00 0.00 O ATOM 258 OD2 ASP A 18 2.942 -14.061 -9.821 1.00 0.00 O ATOM 0 H ASP A 18 0.579 -13.159 -6.301 1.00 0.00 H new ATOM 0 HA ASP A 18 3.369 -13.030 -6.965 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.757 -12.331 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.269 -11.790 -9.002 1.00 0.00 H new ATOM 263 N LEU A 19 3.894 -10.780 -5.994 1.00 0.00 N ATOM 264 CA LEU A 19 4.275 -9.438 -5.568 1.00 0.00 C ATOM 265 C LEU A 19 4.440 -8.491 -6.754 1.00 0.00 C ATOM 266 O LEU A 19 3.938 -7.369 -6.730 1.00 0.00 O ATOM 267 CB LEU A 19 5.559 -9.489 -4.729 1.00 0.00 C ATOM 268 CG LEU A 19 6.871 -9.373 -5.512 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.443 -7.970 -5.381 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.874 -10.408 -5.029 1.00 0.00 C ATOM 0 H LEU A 19 4.580 -11.503 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 19 3.467 -9.045 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.523 -8.684 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.571 -10.427 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 19 6.664 -9.564 -6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.375 -7.903 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.729 -7.248 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.636 -7.752 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.799 -10.310 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.079 -10.249 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.464 -11.407 -5.173 1.00 0.00 H new ATOM 282 N GLU A 20 5.100 -8.960 -7.811 1.00 0.00 N ATOM 283 CA GLU A 20 5.332 -8.128 -8.986 1.00 0.00 C ATOM 284 C GLU A 20 4.029 -7.886 -9.727 1.00 0.00 C ATOM 285 O GLU A 20 3.796 -6.800 -10.256 1.00 0.00 O ATOM 286 CB GLU A 20 6.359 -8.782 -9.910 1.00 0.00 C ATOM 287 CG GLU A 20 6.392 -8.193 -11.314 1.00 0.00 C ATOM 288 CD GLU A 20 7.170 -6.894 -11.385 1.00 0.00 C ATOM 289 OE1 GLU A 20 8.416 -6.951 -11.439 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.531 -5.820 -11.387 1.00 0.00 O ATOM 0 H GLU A 20 5.480 -9.904 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 20 5.728 -7.167 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.348 -8.685 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.143 -9.848 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.838 -8.916 -11.997 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.371 -8.020 -11.655 1.00 0.00 H new ATOM 297 N ALA A 21 3.174 -8.895 -9.745 1.00 0.00 N ATOM 298 CA ALA A 21 1.863 -8.746 -10.359 1.00 0.00 C ATOM 299 C ALA A 21 1.018 -7.805 -9.516 1.00 0.00 C ATOM 300 O ALA A 21 0.255 -6.991 -10.035 1.00 0.00 O ATOM 301 CB ALA A 21 1.178 -10.094 -10.517 1.00 0.00 C ATOM 0 H ALA A 21 3.359 -9.816 -9.347 1.00 0.00 H new ATOM 0 HA ALA A 21 1.984 -8.323 -11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.200 -9.954 -10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.788 -10.740 -11.149 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.054 -10.556 -9.538 1.00 0.00 H new ATOM 307 N LEU A 22 1.177 -7.930 -8.204 1.00 0.00 N ATOM 308 CA LEU A 22 0.489 -7.067 -7.257 1.00 0.00 C ATOM 309 C LEU A 22 1.017 -5.646 -7.371 1.00 0.00 C ATOM 310 O LEU A 22 0.315 -4.685 -7.065 1.00 0.00 O ATOM 311 CB LEU A 22 0.681 -7.590 -5.830 1.00 0.00 C ATOM 312 CG LEU A 22 -0.610 -7.920 -5.074 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.294 -8.377 -3.660 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.548 -6.722 -5.047 1.00 0.00 C ATOM 0 H LEU A 22 1.782 -8.628 -7.771 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.576 -7.067 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.299 -8.487 -5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.236 -6.846 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.112 -8.732 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.222 -8.608 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.333 -9.268 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.234 -7.584 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.457 -6.983 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.056 -5.886 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.804 -6.437 -6.068 1.00 0.00 H new ATOM 326 N LYS A 23 2.264 -5.532 -7.814 1.00 0.00 N ATOM 327 CA LYS A 23 2.904 -4.236 -7.995 1.00 0.00 C ATOM 328 C LYS A 23 2.073 -3.364 -8.924 1.00 0.00 C ATOM 329 O LYS A 23 1.836 -2.188 -8.645 1.00 0.00 O ATOM 330 CB LYS A 23 4.312 -4.420 -8.571 1.00 0.00 C ATOM 331 CG LYS A 23 5.429 -4.011 -7.623 1.00 0.00 C ATOM 332 CD LYS A 23 6.190 -5.215 -7.098 1.00 0.00 C ATOM 333 CE LYS A 23 7.584 -4.825 -6.633 1.00 0.00 C ATOM 334 NZ LYS A 23 8.442 -4.376 -7.764 1.00 0.00 N ATOM 0 H LYS A 23 2.855 -6.328 -8.056 1.00 0.00 H new ATOM 0 HA LYS A 23 2.979 -3.745 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.447 -5.466 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.397 -3.837 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.118 -3.342 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.010 -3.453 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.640 -5.663 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.263 -5.971 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.510 -4.027 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.052 -5.675 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.443 -4.508 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.220 -4.936 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.263 -3.370 -7.957 1.00 0.00 H new ATOM 348 N LYS A 24 1.634 -3.950 -10.034 1.00 0.00 N ATOM 349 CA LYS A 24 0.814 -3.233 -11.002 1.00 0.00 C ATOM 350 C LYS A 24 -0.551 -2.903 -10.412 1.00 0.00 C ATOM 351 O LYS A 24 -1.089 -1.817 -10.634 1.00 0.00 O ATOM 352 CB LYS A 24 0.646 -4.051 -12.284 1.00 0.00 C ATOM 353 CG LYS A 24 1.802 -4.996 -12.568 1.00 0.00 C ATOM 354 CD LYS A 24 1.774 -5.497 -14.003 1.00 0.00 C ATOM 355 CE LYS A 24 1.333 -6.950 -14.077 1.00 0.00 C ATOM 356 NZ LYS A 24 0.056 -7.107 -14.824 1.00 0.00 N ATOM 0 H LYS A 24 1.833 -4.919 -10.284 1.00 0.00 H new ATOM 0 HA LYS A 24 1.324 -2.301 -11.248 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.275 -4.630 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.532 -3.369 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.746 -4.485 -12.379 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.756 -5.844 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.096 -4.879 -14.592 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.765 -5.393 -14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.111 -7.541 -14.560 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.214 -7.345 -13.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.209 -8.112 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.693 -6.564 -14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.176 -6.754 -15.795 1.00 0.00 H new ATOM 370 N GLU A 25 -1.124 -3.858 -9.683 1.00 0.00 N ATOM 371 CA GLU A 25 -2.420 -3.655 -9.048 1.00 0.00 C ATOM 372 C GLU A 25 -2.310 -2.599 -7.958 1.00 0.00 C ATOM 373 O GLU A 25 -3.276 -1.915 -7.629 1.00 0.00 O ATOM 374 CB GLU A 25 -2.936 -4.969 -8.455 1.00 0.00 C ATOM 375 CG GLU A 25 -3.029 -6.097 -9.469 1.00 0.00 C ATOM 376 CD GLU A 25 -3.719 -7.326 -8.911 1.00 0.00 C ATOM 377 OE1 GLU A 25 -3.334 -7.774 -7.810 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.643 -7.843 -9.574 1.00 0.00 O ATOM 0 H GLU A 25 -0.712 -4.776 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.127 -3.312 -9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.277 -5.275 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.921 -4.800 -8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.572 -5.747 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.026 -6.367 -9.800 1.00 0.00 H new ATOM 385 N ILE A 26 -1.125 -2.501 -7.380 1.00 0.00 N ATOM 386 CA ILE A 26 -0.859 -1.522 -6.342 1.00 0.00 C ATOM 387 C ILE A 26 -1.004 -0.113 -6.900 1.00 0.00 C ATOM 388 O ILE A 26 -1.511 0.784 -6.232 1.00 0.00 O ATOM 389 CB ILE A 26 0.557 -1.709 -5.748 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.498 -2.643 -4.537 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.172 -0.371 -5.361 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.636 -3.639 -4.485 1.00 0.00 C ATOM 0 H ILE A 26 -0.328 -3.092 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.587 -1.671 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 26 1.192 -2.158 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.508 -2.044 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.448 -3.185 -4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.167 -0.534 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.246 0.264 -6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.544 0.116 -4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.529 -4.268 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.615 -4.263 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.585 -3.105 -4.438 1.00 0.00 H new ATOM 404 N GLN A 27 -0.540 0.066 -8.128 1.00 0.00 N ATOM 405 CA GLN A 27 -0.606 1.357 -8.791 1.00 0.00 C ATOM 406 C GLN A 27 -2.047 1.822 -8.941 1.00 0.00 C ATOM 407 O GLN A 27 -2.349 3.005 -8.783 1.00 0.00 O ATOM 408 CB GLN A 27 0.048 1.267 -10.172 1.00 0.00 C ATOM 409 CG GLN A 27 1.519 1.646 -10.180 1.00 0.00 C ATOM 410 CD GLN A 27 2.381 0.680 -9.390 1.00 0.00 C ATOM 411 OE1 GLN A 27 3.006 -0.216 -9.956 1.00 0.00 O ATOM 412 NE2 GLN A 27 2.427 0.866 -8.077 1.00 0.00 N ATOM 0 H GLN A 27 -0.112 -0.672 -8.687 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.071 2.081 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.057 0.249 -10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.489 1.919 -10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.874 1.683 -11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.633 2.648 -9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.892 1.622 -7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.997 0.253 -7.495 1.00 0.00 H new ATOM 421 N GLU A 28 -2.923 0.892 -9.301 1.00 0.00 N ATOM 422 CA GLU A 28 -4.330 1.217 -9.519 1.00 0.00 C ATOM 423 C GLU A 28 -5.088 1.370 -8.208 1.00 0.00 C ATOM 424 O GLU A 28 -6.149 1.991 -8.164 1.00 0.00 O ATOM 425 CB GLU A 28 -4.988 0.155 -10.386 1.00 0.00 C ATOM 426 CG GLU A 28 -5.124 -1.187 -9.706 1.00 0.00 C ATOM 427 CD GLU A 28 -6.546 -1.483 -9.266 1.00 0.00 C ATOM 428 OE1 GLU A 28 -7.330 -0.525 -9.105 1.00 0.00 O ATOM 429 OE2 GLU A 28 -6.874 -2.674 -9.084 1.00 0.00 O ATOM 0 H GLU A 28 -2.687 -0.089 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.368 2.177 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.977 0.503 -10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.405 0.032 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.789 -1.970 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.466 -1.217 -8.837 1.00 0.00 H new ATOM 436 N ARG A 29 -4.549 0.787 -7.146 1.00 0.00 N ATOM 437 CA ARG A 29 -5.195 0.847 -5.842 1.00 0.00 C ATOM 438 C ARG A 29 -4.765 2.093 -5.074 1.00 0.00 C ATOM 439 O ARG A 29 -5.356 2.434 -4.049 1.00 0.00 O ATOM 440 CB ARG A 29 -4.874 -0.411 -5.031 1.00 0.00 C ATOM 441 CG ARG A 29 -3.474 -0.418 -4.445 1.00 0.00 C ATOM 442 CD ARG A 29 -3.437 -1.068 -3.072 1.00 0.00 C ATOM 443 NE ARG A 29 -2.865 -0.171 -2.071 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.608 0.259 -2.099 1.00 0.00 C ATOM 445 NH1 ARG A 29 -0.785 -0.142 -3.059 1.00 0.00 N ATOM 446 NH2 ARG A 29 -1.167 1.085 -1.162 1.00 0.00 N ATOM 0 H ARG A 29 -3.670 0.269 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.272 0.900 -6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.598 -0.505 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.995 -1.286 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.802 -0.951 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.106 0.605 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.447 -1.350 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.850 -1.985 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.464 0.143 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.116 -0.783 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.179 0.191 -3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.793 1.392 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.202 1.414 -1.185 1.00 0.00 H new ATOM 460 N ILE A 30 -3.723 2.760 -5.565 1.00 0.00 N ATOM 461 CA ILE A 30 -3.225 3.971 -4.920 1.00 0.00 C ATOM 462 C ILE A 30 -4.306 5.052 -4.882 1.00 0.00 C ATOM 463 O ILE A 30 -5.014 5.261 -5.867 1.00 0.00 O ATOM 464 CB ILE A 30 -1.979 4.529 -5.641 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.802 3.559 -5.487 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.615 5.913 -5.110 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.224 3.504 -4.087 1.00 0.00 C ATOM 0 H ILE A 30 -3.210 2.484 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.948 3.696 -3.902 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.210 4.630 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.129 2.559 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.014 3.847 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.734 6.284 -5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.449 6.596 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.402 5.849 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.604 2.795 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.137 4.493 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.996 3.185 -3.387 1.00 0.00 H new ATOM 479 N PRO A 31 -4.441 5.762 -3.744 1.00 0.00 N ATOM 480 CA PRO A 31 -5.422 6.840 -3.594 1.00 0.00 C ATOM 481 C PRO A 31 -5.405 7.805 -4.775 1.00 0.00 C ATOM 482 O PRO A 31 -4.372 8.394 -5.095 1.00 0.00 O ATOM 483 CB PRO A 31 -4.987 7.556 -2.305 1.00 0.00 C ATOM 484 CG PRO A 31 -3.656 6.978 -1.947 1.00 0.00 C ATOM 485 CD PRO A 31 -3.643 5.596 -2.523 1.00 0.00 C ATOM 0 HA PRO A 31 -6.441 6.456 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.917 8.633 -2.460 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.711 7.396 -1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.845 7.580 -2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.519 6.952 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.631 5.255 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.085 4.867 -1.843 1.00 0.00 H new ATOM 493 N GLU A 32 -6.552 7.939 -5.435 1.00 0.00 N ATOM 494 CA GLU A 32 -6.685 8.816 -6.597 1.00 0.00 C ATOM 495 C GLU A 32 -6.352 10.271 -6.265 1.00 0.00 C ATOM 496 O GLU A 32 -6.416 11.140 -7.135 1.00 0.00 O ATOM 497 CB GLU A 32 -8.105 8.728 -7.159 1.00 0.00 C ATOM 498 CG GLU A 32 -8.158 8.712 -8.678 1.00 0.00 C ATOM 499 CD GLU A 32 -9.513 9.124 -9.217 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.947 10.259 -8.927 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.141 8.312 -9.930 1.00 0.00 O ATOM 0 H GLU A 32 -7.410 7.448 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.968 8.475 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.583 7.825 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.685 9.575 -6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.395 9.383 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.918 7.711 -9.036 1.00 0.00 H new ATOM 508 N GLY A 33 -5.998 10.537 -5.011 1.00 0.00 N ATOM 509 CA GLY A 33 -5.686 11.894 -4.605 1.00 0.00 C ATOM 510 C GLY A 33 -4.260 12.293 -4.930 1.00 0.00 C ATOM 511 O GLY A 33 -4.032 13.219 -5.710 1.00 0.00 O ATOM 0 H GLY A 33 -5.922 9.839 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.372 12.582 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.851 11.994 -3.532 1.00 0.00 H new ATOM 515 N THR A 34 -3.297 11.606 -4.325 1.00 0.00 N ATOM 516 CA THR A 34 -1.887 11.909 -4.547 1.00 0.00 C ATOM 517 C THR A 34 -1.192 10.779 -5.310 1.00 0.00 C ATOM 518 O THR A 34 -1.776 10.178 -6.212 1.00 0.00 O ATOM 519 CB THR A 34 -1.187 12.159 -3.209 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.121 12.568 -2.224 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.106 13.216 -3.286 1.00 0.00 C ATOM 0 H THR A 34 -3.466 10.836 -3.678 1.00 0.00 H new ATOM 0 HA THR A 34 -1.824 12.811 -5.155 1.00 0.00 H new ATOM 0 HB THR A 34 -0.723 11.209 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.726 13.275 -1.672 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.349 13.343 -2.304 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.656 12.906 -4.001 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.543 14.161 -3.608 1.00 0.00 H new ATOM 529 N GLU A 35 0.056 10.495 -4.941 1.00 0.00 N ATOM 530 CA GLU A 35 0.832 9.450 -5.598 1.00 0.00 C ATOM 531 C GLU A 35 1.519 8.555 -4.577 1.00 0.00 C ATOM 532 O GLU A 35 1.494 8.828 -3.376 1.00 0.00 O ATOM 533 CB GLU A 35 1.876 10.073 -6.528 1.00 0.00 C ATOM 534 CG GLU A 35 1.278 10.722 -7.766 1.00 0.00 C ATOM 535 CD GLU A 35 1.734 10.057 -9.050 1.00 0.00 C ATOM 536 OE1 GLU A 35 1.832 8.812 -9.072 1.00 0.00 O ATOM 537 OE2 GLU A 35 1.995 10.782 -10.034 1.00 0.00 O ATOM 0 H GLU A 35 0.550 10.976 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 35 0.146 8.839 -6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.444 10.821 -5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.581 9.302 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.191 10.679 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.555 11.776 -7.789 1.00 0.00 H new ATOM 544 N LEU A 36 2.133 7.486 -5.066 1.00 0.00 N ATOM 545 CA LEU A 36 2.814 6.528 -4.201 1.00 0.00 C ATOM 546 C LEU A 36 4.148 7.081 -3.701 1.00 0.00 C ATOM 547 O LEU A 36 4.500 8.227 -3.979 1.00 0.00 O ATOM 548 CB LEU A 36 3.045 5.210 -4.946 1.00 0.00 C ATOM 549 CG LEU A 36 3.365 5.352 -6.436 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.462 4.380 -6.840 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.114 5.129 -7.273 1.00 0.00 C ATOM 0 H LEU A 36 2.174 7.259 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 36 2.174 6.347 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.865 4.677 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.155 4.590 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 36 3.722 6.366 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.677 4.495 -7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.363 4.588 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.134 3.359 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.360 5.234 -8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.726 4.127 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.358 5.866 -7.001 1.00 0.00 H new ATOM 563 N HIS A 37 4.872 6.262 -2.941 1.00 0.00 N ATOM 564 CA HIS A 37 6.164 6.654 -2.388 1.00 0.00 C ATOM 565 C HIS A 37 7.217 5.587 -2.649 1.00 0.00 C ATOM 566 O HIS A 37 8.044 5.716 -3.551 1.00 0.00 O ATOM 567 CB HIS A 37 6.041 6.880 -0.883 1.00 0.00 C ATOM 568 CG HIS A 37 7.313 7.324 -0.232 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.736 8.631 -0.295 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.215 6.601 0.475 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.876 8.676 0.370 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.205 7.469 0.854 1.00 0.00 N ATOM 0 H HIS A 37 4.582 5.316 -2.693 1.00 0.00 H new ATOM 0 HA HIS A 37 6.472 7.578 -2.877 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.270 7.628 -0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.707 5.955 -0.412 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.164 5.545 0.697 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.467 9.569 0.507 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.035 7.241 1.401 1.00 0.00 H new ATOM 580 N LYS A 38 7.140 4.512 -1.871 1.00 0.00 N ATOM 581 CA LYS A 38 8.084 3.405 -1.965 1.00 0.00 C ATOM 582 C LYS A 38 7.487 2.153 -1.334 1.00 0.00 C ATOM 583 O LYS A 38 6.991 2.194 -0.207 1.00 0.00 O ATOM 584 CB LYS A 38 9.389 3.756 -1.245 1.00 0.00 C ATOM 585 CG LYS A 38 10.285 4.723 -2.005 1.00 0.00 C ATOM 586 CD LYS A 38 10.817 4.108 -3.289 1.00 0.00 C ATOM 587 CE LYS A 38 12.301 4.384 -3.465 1.00 0.00 C ATOM 588 NZ LYS A 38 12.860 3.692 -4.659 1.00 0.00 N ATOM 0 H LYS A 38 6.422 4.384 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 38 8.292 3.220 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.149 4.189 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.944 2.837 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.726 5.629 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.120 5.020 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.645 3.032 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.268 4.509 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.461 5.458 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.838 4.060 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.874 3.907 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.731 2.665 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.366 4.020 -5.513 1.00 0.00 H new ATOM 602 N ILE A 39 7.520 1.044 -2.066 1.00 0.00 N ATOM 603 CA ILE A 39 6.953 -0.205 -1.576 1.00 0.00 C ATOM 604 C ILE A 39 7.998 -1.052 -0.854 1.00 0.00 C ATOM 605 O ILE A 39 9.201 -0.846 -1.017 1.00 0.00 O ATOM 606 CB ILE A 39 6.330 -1.025 -2.719 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.603 -0.092 -3.700 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.382 -2.069 -2.148 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.557 -0.777 -4.555 1.00 0.00 C ATOM 0 H ILE A 39 7.932 0.986 -2.997 1.00 0.00 H new ATOM 0 HA ILE A 39 6.171 0.064 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 39 7.118 -1.542 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.126 0.709 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.340 0.374 -4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.944 -2.647 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.932 -2.736 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.590 -1.573 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.093 -0.046 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.029 -1.559 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.795 -1.219 -3.913 1.00 0.00 H new ATOM 621 N ASP A 40 7.526 -1.996 -0.043 1.00 0.00 N ATOM 622 CA ASP A 40 8.409 -2.859 0.733 1.00 0.00 C ATOM 623 C ASP A 40 8.061 -4.331 0.548 1.00 0.00 C ATOM 624 O ASP A 40 6.937 -4.747 0.816 1.00 0.00 O ATOM 625 CB ASP A 40 8.302 -2.509 2.213 1.00 0.00 C ATOM 626 CG ASP A 40 9.652 -2.457 2.899 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.287 -3.524 3.038 1.00 0.00 O ATOM 628 OD2 ASP A 40 10.076 -1.351 3.294 1.00 0.00 O ATOM 0 H ASP A 40 6.532 -2.182 0.093 1.00 0.00 H new ATOM 0 HA ASP A 40 9.426 -2.696 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.807 -1.544 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.673 -3.246 2.712 1.00 0.00 H new ATOM 633 N GLU A 41 9.041 -5.124 0.135 1.00 0.00 N ATOM 634 CA GLU A 41 8.834 -6.556 -0.040 1.00 0.00 C ATOM 635 C GLU A 41 9.050 -7.297 1.279 1.00 0.00 C ATOM 636 O GLU A 41 10.060 -7.977 1.464 1.00 0.00 O ATOM 637 CB GLU A 41 9.779 -7.102 -1.113 1.00 0.00 C ATOM 638 CG GLU A 41 9.889 -6.209 -2.337 1.00 0.00 C ATOM 639 CD GLU A 41 11.134 -6.490 -3.155 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.112 -7.445 -3.961 1.00 0.00 O ATOM 641 OE2 GLU A 41 12.132 -5.757 -2.989 1.00 0.00 O ATOM 0 H GLU A 41 9.984 -4.802 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 41 7.805 -6.717 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.770 -7.234 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.433 -8.088 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.008 -6.348 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.894 -5.166 -2.021 1.00 0.00 H new ATOM 648 N GLU A 42 8.108 -7.131 2.205 1.00 0.00 N ATOM 649 CA GLU A 42 8.188 -7.782 3.510 1.00 0.00 C ATOM 650 C GLU A 42 7.321 -9.035 3.538 1.00 0.00 C ATOM 651 O GLU A 42 6.194 -9.019 3.056 1.00 0.00 O ATOM 652 CB GLU A 42 7.748 -6.818 4.612 1.00 0.00 C ATOM 653 CG GLU A 42 8.899 -6.305 5.461 1.00 0.00 C ATOM 654 CD GLU A 42 8.498 -6.061 6.903 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.584 -6.757 7.393 1.00 0.00 O ATOM 656 OE2 GLU A 42 9.101 -5.174 7.543 1.00 0.00 O ATOM 0 H GLU A 42 7.280 -6.550 2.075 1.00 0.00 H new ATOM 0 HA GLU A 42 9.224 -8.071 3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.235 -5.970 4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.026 -7.320 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.716 -7.026 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.277 -5.377 5.031 1.00 0.00 H new ATOM 663 N PRO A 43 7.833 -10.145 4.100 1.00 0.00 N ATOM 664 CA PRO A 43 7.103 -11.404 4.155 1.00 0.00 C ATOM 665 C PRO A 43 6.203 -11.510 5.376 1.00 0.00 C ATOM 666 O PRO A 43 6.396 -10.811 6.371 1.00 0.00 O ATOM 667 CB PRO A 43 8.217 -12.446 4.206 1.00 0.00 C ATOM 668 CG PRO A 43 9.389 -11.754 4.833 1.00 0.00 C ATOM 669 CD PRO A 43 9.169 -10.263 4.701 1.00 0.00 C ATOM 0 HA PRO A 43 6.426 -11.523 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.915 -13.314 4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.463 -12.806 3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.483 -12.035 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.315 -12.049 4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.214 -9.767 5.670 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.931 -9.803 4.071 1.00 0.00 H new ATOM 677 N ILE A 44 5.200 -12.374 5.275 1.00 0.00 N ATOM 678 CA ILE A 44 4.225 -12.549 6.340 1.00 0.00 C ATOM 679 C ILE A 44 4.112 -14.012 6.757 1.00 0.00 C ATOM 680 O ILE A 44 4.716 -14.434 7.744 1.00 0.00 O ATOM 681 CB ILE A 44 2.839 -12.040 5.896 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.993 -10.824 4.975 1.00 0.00 C ATOM 683 CG2 ILE A 44 1.981 -11.701 7.106 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.632 -9.622 5.645 1.00 0.00 C ATOM 0 H ILE A 44 5.042 -12.967 4.460 1.00 0.00 H new ATOM 0 HA ILE A 44 4.571 -11.967 7.194 1.00 0.00 H new ATOM 0 HB ILE A 44 2.337 -12.831 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.594 -11.108 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.010 -10.538 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.007 -11.344 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.850 -12.592 7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.471 -10.924 7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.706 -8.803 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.021 -9.310 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.629 -9.888 5.996 1.00 0.00 H new ATOM 696 N ALA A 45 3.323 -14.776 6.009 1.00 0.00 N ATOM 697 CA ALA A 45 3.123 -16.191 6.299 1.00 0.00 C ATOM 698 C ALA A 45 4.406 -16.988 6.069 1.00 0.00 C ATOM 699 O ALA A 45 5.509 -16.454 6.191 1.00 0.00 O ATOM 700 CB ALA A 45 1.989 -16.746 5.450 1.00 0.00 C ATOM 0 H ALA A 45 2.810 -14.437 5.195 1.00 0.00 H new ATOM 0 HA ALA A 45 2.855 -16.288 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.849 -17.803 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.070 -16.203 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.234 -16.630 4.394 1.00 0.00 H new ATOM 706 N PHE A 46 4.255 -18.264 5.728 1.00 0.00 N ATOM 707 CA PHE A 46 5.402 -19.127 5.478 1.00 0.00 C ATOM 708 C PHE A 46 6.086 -18.747 4.171 1.00 0.00 C ATOM 709 O PHE A 46 7.300 -18.895 4.027 1.00 0.00 O ATOM 710 CB PHE A 46 4.961 -20.593 5.432 1.00 0.00 C ATOM 711 CG PHE A 46 4.491 -21.123 6.756 1.00 0.00 C ATOM 712 CD1 PHE A 46 5.383 -21.311 7.800 1.00 0.00 C ATOM 713 CD2 PHE A 46 3.156 -21.438 6.956 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.952 -21.800 9.019 1.00 0.00 C ATOM 715 CE2 PHE A 46 2.720 -21.928 8.173 1.00 0.00 C ATOM 716 CZ PHE A 46 3.619 -22.109 9.206 1.00 0.00 C ATOM 0 H PHE A 46 3.350 -18.722 5.619 1.00 0.00 H new ATOM 0 HA PHE A 46 6.114 -18.996 6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.158 -20.699 4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.793 -21.203 5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.427 -21.073 7.659 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.448 -21.299 6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.657 -21.940 9.825 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.677 -22.169 8.316 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.280 -22.491 10.158 1.00 0.00 H new ATOM 726 N GLY A 47 5.301 -18.235 3.227 1.00 0.00 N ATOM 727 CA GLY A 47 5.846 -17.833 1.944 1.00 0.00 C ATOM 728 C GLY A 47 5.058 -16.709 1.293 1.00 0.00 C ATOM 729 O GLY A 47 5.336 -16.329 0.156 1.00 0.00 O ATOM 0 H GLY A 47 4.296 -18.092 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.880 -17.515 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.861 -18.694 1.276 1.00 0.00 H new ATOM 733 N LEU A 48 4.068 -16.181 2.010 1.00 0.00 N ATOM 734 CA LEU A 48 3.245 -15.093 1.488 1.00 0.00 C ATOM 735 C LEU A 48 3.825 -13.740 1.885 1.00 0.00 C ATOM 736 O LEU A 48 3.680 -13.299 3.026 1.00 0.00 O ATOM 737 CB LEU A 48 1.801 -15.226 1.987 1.00 0.00 C ATOM 738 CG LEU A 48 1.226 -16.652 1.983 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.294 -16.615 2.072 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.663 -17.416 0.742 1.00 0.00 C ATOM 0 H LEU A 48 3.817 -16.488 2.950 1.00 0.00 H new ATOM 0 HA LEU A 48 3.242 -15.157 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.749 -14.835 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.162 -14.594 1.370 1.00 0.00 H new ATOM 0 HG LEU A 48 1.616 -17.173 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.684 -17.633 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.592 -16.116 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.695 -16.070 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.242 -18.421 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.310 -16.896 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.751 -17.479 0.718 1.00 0.00 H new ATOM 752 N VAL A 49 4.481 -13.083 0.931 1.00 0.00 N ATOM 753 CA VAL A 49 5.116 -11.795 1.181 1.00 0.00 C ATOM 754 C VAL A 49 4.191 -10.630 0.843 1.00 0.00 C ATOM 755 O VAL A 49 3.619 -10.570 -0.245 1.00 0.00 O ATOM 756 CB VAL A 49 6.419 -11.653 0.365 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.009 -10.256 0.512 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.429 -12.709 0.785 1.00 0.00 C ATOM 0 H VAL A 49 4.586 -13.424 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 49 5.345 -11.763 2.246 1.00 0.00 H new ATOM 0 HB VAL A 49 6.177 -11.805 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.926 -10.185 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.291 -9.518 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.233 -10.064 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.341 -12.594 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.660 -12.591 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.011 -13.701 0.614 1.00 0.00 H new ATOM 768 N ALA A 50 4.095 -9.681 1.770 1.00 0.00 N ATOM 769 CA ALA A 50 3.276 -8.492 1.575 1.00 0.00 C ATOM 770 C ALA A 50 4.118 -7.333 1.068 1.00 0.00 C ATOM 771 O ALA A 50 5.344 -7.342 1.180 1.00 0.00 O ATOM 772 CB ALA A 50 2.591 -8.093 2.871 1.00 0.00 C ATOM 0 H ALA A 50 4.578 -9.715 2.668 1.00 0.00 H new ATOM 0 HA ALA A 50 2.517 -8.731 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.985 -7.203 2.703 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.952 -8.908 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.344 -7.881 3.630 1.00 0.00 H new ATOM 778 N LEU A 51 3.448 -6.332 0.515 1.00 0.00 N ATOM 779 CA LEU A 51 4.123 -5.153 -0.001 1.00 0.00 C ATOM 780 C LEU A 51 3.625 -3.903 0.713 1.00 0.00 C ATOM 781 O LEU A 51 2.438 -3.583 0.671 1.00 0.00 O ATOM 782 CB LEU A 51 3.885 -5.029 -1.508 1.00 0.00 C ATOM 783 CG LEU A 51 4.833 -5.851 -2.386 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.655 -7.338 -2.120 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.602 -5.537 -3.856 1.00 0.00 C ATOM 0 H LEU A 51 2.433 -6.315 0.413 1.00 0.00 H new ATOM 0 HA LEU A 51 5.193 -5.255 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.860 -5.332 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.973 -3.979 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 51 5.858 -5.580 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.337 -7.905 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.872 -7.549 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.628 -7.627 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.284 -6.130 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.573 -5.779 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.783 -4.477 -4.035 1.00 0.00 H new ATOM 797 N ASN A 52 4.538 -3.203 1.375 1.00 0.00 N ATOM 798 CA ASN A 52 4.189 -1.989 2.097 1.00 0.00 C ATOM 799 C ASN A 52 4.319 -0.782 1.184 1.00 0.00 C ATOM 800 O ASN A 52 5.387 -0.181 1.068 1.00 0.00 O ATOM 801 CB ASN A 52 5.085 -1.824 3.326 1.00 0.00 C ATOM 802 CG ASN A 52 5.387 -3.146 4.008 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.471 -3.340 4.557 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.426 -4.064 3.978 1.00 0.00 N ATOM 0 H ASN A 52 5.525 -3.456 1.426 1.00 0.00 H new ATOM 0 HA ASN A 52 3.154 -2.066 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.021 -1.351 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.601 -1.154 4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.573 -4.971 4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.542 -3.862 3.512 1.00 0.00 H new ATOM 811 N VAL A 53 3.216 -0.438 0.538 1.00 0.00 N ATOM 812 CA VAL A 53 3.189 0.668 -0.405 1.00 0.00 C ATOM 813 C VAL A 53 2.925 1.993 0.294 1.00 0.00 C ATOM 814 O VAL A 53 1.782 2.329 0.606 1.00 0.00 O ATOM 815 CB VAL A 53 2.115 0.451 -1.487 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.281 1.457 -2.615 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.167 -0.972 -2.017 1.00 0.00 C ATOM 0 H VAL A 53 2.321 -0.914 0.651 1.00 0.00 H new ATOM 0 HA VAL A 53 4.173 0.703 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 53 1.136 0.607 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.513 1.287 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.183 2.468 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.266 1.338 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.400 -1.104 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.148 -1.163 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.990 -1.671 -1.200 1.00 0.00 H new ATOM 827 N MET A 54 3.986 2.767 0.480 1.00 0.00 N ATOM 828 CA MET A 54 3.882 4.075 1.112 1.00 0.00 C ATOM 829 C MET A 54 3.499 5.126 0.082 1.00 0.00 C ATOM 830 O MET A 54 3.566 4.876 -1.121 1.00 0.00 O ATOM 831 CB MET A 54 5.213 4.450 1.771 1.00 0.00 C ATOM 832 CG MET A 54 5.580 3.566 2.952 1.00 0.00 C ATOM 833 SD MET A 54 7.362 3.465 3.215 1.00 0.00 S ATOM 834 CE MET A 54 7.456 2.137 4.413 1.00 0.00 C ATOM 0 H MET A 54 4.933 2.510 0.201 1.00 0.00 H new ATOM 0 HA MET A 54 3.108 4.032 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.006 4.393 1.026 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.164 5.486 2.106 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.105 3.954 3.853 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.183 2.564 2.788 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.498 1.957 4.675 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.899 2.414 5.308 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.027 1.230 3.986 1.00 0.00 H new ATOM 844 N VAL A 55 3.060 6.288 0.555 1.00 0.00 N ATOM 845 CA VAL A 55 2.636 7.360 -0.338 1.00 0.00 C ATOM 846 C VAL A 55 3.112 8.723 0.160 1.00 0.00 C ATOM 847 O VAL A 55 3.038 9.021 1.353 1.00 0.00 O ATOM 848 CB VAL A 55 1.100 7.378 -0.500 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.568 5.969 -0.708 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.428 8.026 0.701 1.00 0.00 C ATOM 0 H VAL A 55 2.989 6.511 1.548 1.00 0.00 H new ATOM 0 HA VAL A 55 3.092 7.163 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 55 0.864 7.974 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.516 6.002 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.013 5.541 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.825 5.352 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.653 8.024 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.676 7.466 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.779 9.053 0.804 1.00 0.00 H new ATOM 860 N VAL A 56 3.625 9.539 -0.756 1.00 0.00 N ATOM 861 CA VAL A 56 4.092 10.876 -0.404 1.00 0.00 C ATOM 862 C VAL A 56 3.042 11.931 -0.732 1.00 0.00 C ATOM 863 O VAL A 56 2.697 12.135 -1.897 1.00 0.00 O ATOM 864 CB VAL A 56 5.407 11.249 -1.120 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.496 11.540 -0.100 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.840 10.154 -2.082 1.00 0.00 C ATOM 0 H VAL A 56 3.728 9.300 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 56 4.275 10.855 0.670 1.00 0.00 H new ATOM 0 HB VAL A 56 5.233 12.150 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.419 11.802 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.188 12.371 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.664 10.656 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.769 10.446 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.996 9.226 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.066 10.004 -2.834 1.00 0.00 H new ATOM 876 N VAL A 57 2.538 12.598 0.299 1.00 0.00 N ATOM 877 CA VAL A 57 1.544 13.650 0.117 1.00 0.00 C ATOM 878 C VAL A 57 1.944 14.909 0.883 1.00 0.00 C ATOM 879 O VAL A 57 2.586 14.830 1.930 1.00 0.00 O ATOM 880 CB VAL A 57 0.137 13.193 0.560 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.149 11.784 0.062 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.013 13.266 2.072 1.00 0.00 C ATOM 0 H VAL A 57 2.801 12.430 1.270 1.00 0.00 H new ATOM 0 HA VAL A 57 1.506 13.875 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.592 13.872 0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.145 11.479 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.098 11.766 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.591 11.096 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.013 12.938 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.727 12.619 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.140 14.293 2.404 1.00 0.00 H new ATOM 892 N GLY A 58 1.575 16.070 0.350 1.00 0.00 N ATOM 893 CA GLY A 58 1.913 17.323 1.000 1.00 0.00 C ATOM 894 C GLY A 58 1.180 18.506 0.400 1.00 0.00 C ATOM 895 O GLY A 58 0.318 19.103 1.046 1.00 0.00 O ATOM 0 H GLY A 58 1.049 16.165 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.675 17.253 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.988 17.489 0.924 1.00 0.00 H new ATOM 899 N ASP A 59 1.520 18.844 -0.840 1.00 0.00 N ATOM 900 CA ASP A 59 0.883 19.960 -1.528 1.00 0.00 C ATOM 901 C ASP A 59 -0.465 19.540 -2.096 1.00 0.00 C ATOM 902 O ASP A 59 -1.236 20.368 -2.579 1.00 0.00 O ATOM 903 CB ASP A 59 1.785 20.481 -2.650 1.00 0.00 C ATOM 904 CG ASP A 59 1.354 21.844 -3.157 1.00 0.00 C ATOM 905 OD1 ASP A 59 0.712 22.589 -2.388 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.660 22.165 -4.325 1.00 0.00 O ATOM 0 H ASP A 59 2.232 18.361 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 59 0.723 20.760 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.812 20.539 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.778 19.771 -3.477 1.00 0.00 H new ATOM 911 N ALA A 60 -0.739 18.243 -2.032 1.00 0.00 N ATOM 912 CA ALA A 60 -1.997 17.695 -2.520 1.00 0.00 C ATOM 913 C ALA A 60 -3.169 18.154 -1.653 1.00 0.00 C ATOM 914 O ALA A 60 -3.178 19.277 -1.149 1.00 0.00 O ATOM 915 CB ALA A 60 -1.915 16.177 -2.559 1.00 0.00 C ATOM 0 H ALA A 60 -0.102 17.547 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.171 18.066 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.858 15.771 -2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.107 15.873 -3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.721 15.797 -1.556 1.00 0.00 H new ATOM 921 N GLU A 61 -4.151 17.276 -1.478 1.00 0.00 N ATOM 922 CA GLU A 61 -5.325 17.593 -0.672 1.00 0.00 C ATOM 923 C GLU A 61 -5.854 16.349 0.025 1.00 0.00 C ATOM 924 O GLU A 61 -5.194 15.311 0.051 1.00 0.00 O ATOM 925 CB GLU A 61 -6.424 18.201 -1.548 1.00 0.00 C ATOM 926 CG GLU A 61 -6.256 17.916 -3.032 1.00 0.00 C ATOM 927 CD GLU A 61 -7.316 18.591 -3.879 1.00 0.00 C ATOM 928 OE1 GLU A 61 -7.581 19.791 -3.655 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.882 17.920 -4.768 1.00 0.00 O ATOM 0 H GLU A 61 -4.158 16.340 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.028 18.319 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.390 17.816 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.442 19.280 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.270 18.253 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.295 16.839 -3.198 1.00 0.00 H new ATOM 936 N GLY A 62 -7.061 16.455 0.573 1.00 0.00 N ATOM 937 CA GLY A 62 -7.671 15.320 1.237 1.00 0.00 C ATOM 938 C GLY A 62 -8.304 14.370 0.245 1.00 0.00 C ATOM 939 O GLY A 62 -9.115 13.520 0.613 1.00 0.00 O ATOM 0 H GLY A 62 -7.625 17.305 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.917 14.790 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.427 15.671 1.939 1.00 0.00 H new ATOM 943 N GLY A 63 -7.926 14.519 -1.022 1.00 0.00 N ATOM 944 CA GLY A 63 -8.459 13.667 -2.066 1.00 0.00 C ATOM 945 C GLY A 63 -7.944 12.245 -1.973 1.00 0.00 C ATOM 946 O GLY A 63 -8.324 11.388 -2.772 1.00 0.00 O ATOM 0 H GLY A 63 -7.257 15.219 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.547 13.661 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.196 14.082 -3.039 1.00 0.00 H new ATOM 950 N THR A 64 -7.079 11.989 -0.995 1.00 0.00 N ATOM 951 CA THR A 64 -6.530 10.653 -0.799 1.00 0.00 C ATOM 952 C THR A 64 -7.576 9.740 -0.175 1.00 0.00 C ATOM 953 O THR A 64 -7.344 8.545 0.006 1.00 0.00 O ATOM 954 CB THR A 64 -5.281 10.700 0.084 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.634 10.623 1.454 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.452 11.950 -0.110 1.00 0.00 C ATOM 0 H THR A 64 -6.745 12.686 -0.330 1.00 0.00 H new ATOM 0 HA THR A 64 -6.247 10.256 -1.774 1.00 0.00 H new ATOM 0 HB THR A 64 -4.682 9.841 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.823 10.653 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.583 11.916 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.121 12.010 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.054 12.827 0.130 1.00 0.00 H new ATOM 964 N GLU A 65 -8.729 10.317 0.153 1.00 0.00 N ATOM 965 CA GLU A 65 -9.837 9.560 0.717 1.00 0.00 C ATOM 966 C GLU A 65 -10.198 8.400 -0.196 1.00 0.00 C ATOM 967 O GLU A 65 -10.761 7.394 0.238 1.00 0.00 O ATOM 968 CB GLU A 65 -11.052 10.466 0.895 1.00 0.00 C ATOM 969 CG GLU A 65 -11.447 11.216 -0.366 1.00 0.00 C ATOM 970 CD GLU A 65 -12.850 11.787 -0.291 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.085 12.677 0.553 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.714 11.343 -1.076 1.00 0.00 O ATOM 0 H GLU A 65 -8.918 11.312 0.036 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.533 9.169 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.897 9.864 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.843 11.187 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.738 12.026 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.378 10.543 -1.221 1.00 0.00 H new ATOM 979 N ALA A 66 -9.842 8.553 -1.462 1.00 0.00 N ATOM 980 CA ALA A 66 -10.122 7.542 -2.474 1.00 0.00 C ATOM 981 C ALA A 66 -9.514 6.198 -2.091 1.00 0.00 C ATOM 982 O ALA A 66 -10.030 5.148 -2.468 1.00 0.00 O ATOM 983 CB ALA A 66 -9.592 7.991 -3.828 1.00 0.00 C ATOM 0 H ALA A 66 -9.354 9.375 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.203 7.419 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.808 7.227 -4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.074 8.926 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.514 8.143 -3.765 1.00 0.00 H new ATOM 989 N ALA A 67 -8.450 6.236 -1.297 1.00 0.00 N ATOM 990 CA ALA A 67 -7.784 5.016 -0.857 1.00 0.00 C ATOM 991 C ALA A 67 -8.745 4.148 -0.055 1.00 0.00 C ATOM 992 O ALA A 67 -8.993 2.994 -0.409 1.00 0.00 O ATOM 993 CB ALA A 67 -6.551 5.353 -0.032 1.00 0.00 C ATOM 0 H ALA A 67 -8.031 7.097 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.466 4.456 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.065 4.432 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.857 5.938 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.846 5.932 0.843 1.00 0.00 H new ATOM 999 N GLU A 68 -9.315 4.720 1.000 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.277 4.005 1.827 1.00 0.00 C ATOM 1001 C GLU A 68 -11.462 3.538 0.988 1.00 0.00 C ATOM 1002 O GLU A 68 -12.026 2.472 1.233 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.770 4.896 2.969 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.695 5.222 3.993 1.00 0.00 C ATOM 1005 CD GLU A 68 -9.997 4.642 5.362 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.137 4.817 5.843 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.094 4.013 5.952 1.00 0.00 O ATOM 0 H GLU A 68 -9.127 5.676 1.302 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.778 3.133 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.157 5.826 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.601 4.402 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.737 4.838 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.593 6.304 4.075 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.848 4.357 0.014 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.950 4.019 -0.876 1.00 0.00 C ATOM 1016 C GLU A 69 -12.640 2.743 -1.644 1.00 0.00 C ATOM 1017 O GLU A 69 -13.444 1.811 -1.677 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.220 5.167 -1.853 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.682 5.578 -1.920 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.327 5.227 -3.248 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.673 4.550 -4.068 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.489 5.631 -3.467 1.00 0.00 O ATOM 0 H GLU A 69 -11.413 5.259 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.842 3.856 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.622 6.030 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.888 4.871 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.230 5.090 -1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.761 6.652 -1.755 1.00 0.00 H new ATOM 1029 N SER A 70 -11.469 2.718 -2.272 1.00 0.00 N ATOM 1030 CA SER A 70 -11.030 1.556 -3.028 1.00 0.00 C ATOM 1031 C SER A 70 -10.846 0.359 -2.106 1.00 0.00 C ATOM 1032 O SER A 70 -10.877 -0.785 -2.550 1.00 0.00 O ATOM 1033 CB SER A 70 -9.720 1.859 -3.759 1.00 0.00 C ATOM 1034 OG SER A 70 -8.605 1.694 -2.900 1.00 0.00 O ATOM 0 H SER A 70 -10.806 3.494 -2.271 1.00 0.00 H new ATOM 0 HA SER A 70 -11.797 1.317 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.620 1.199 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.741 2.880 -4.141 1.00 0.00 H new ATOM 0 HG SER A 70 -8.774 2.156 -2.052 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.680 0.634 -0.815 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.489 -0.419 0.175 1.00 0.00 C ATOM 1042 C LEU A 71 -11.790 -1.174 0.412 1.00 0.00 C ATOM 1043 O LEU A 71 -11.782 -2.344 0.796 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.984 0.178 1.491 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.583 -0.270 1.921 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.524 -1.782 2.069 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.538 0.215 0.927 1.00 0.00 C ATOM 0 H LEU A 71 -10.674 1.579 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.745 -1.119 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.989 1.264 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.688 -0.081 2.282 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.364 0.175 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.521 -2.079 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.243 -2.102 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.766 -2.251 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.550 -0.113 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.754 -0.198 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.561 1.304 0.877 1.00 0.00 H new ATOM 1059 N SER A 72 -12.907 -0.499 0.167 1.00 0.00 N ATOM 1060 CA SER A 72 -14.221 -1.104 0.333 1.00 0.00 C ATOM 1061 C SER A 72 -14.409 -2.260 -0.647 1.00 0.00 C ATOM 1062 O SER A 72 -15.287 -3.105 -0.467 1.00 0.00 O ATOM 1063 CB SER A 72 -15.313 -0.054 0.121 1.00 0.00 C ATOM 1064 OG SER A 72 -16.335 -0.176 1.093 1.00 0.00 O ATOM 0 H SER A 72 -12.928 0.471 -0.148 1.00 0.00 H new ATOM 0 HA SER A 72 -14.295 -1.495 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.877 0.944 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.740 -0.165 -0.876 1.00 0.00 H new ATOM 0 HG SER A 72 -17.019 0.508 0.936 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.572 -2.288 -1.680 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.643 -3.343 -2.677 1.00 0.00 C ATOM 1072 C GLY A 73 -12.297 -3.608 -3.322 1.00 0.00 C ATOM 1073 O GLY A 73 -12.219 -3.994 -4.488 1.00 0.00 O ATOM 0 H GLY A 73 -12.842 -1.595 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.008 -4.258 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.365 -3.067 -3.446 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.241 -3.390 -2.552 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.876 -3.576 -3.030 1.00 0.00 C ATOM 1079 C ILE A 74 -9.541 -5.066 -3.171 1.00 0.00 C ATOM 1080 O ILE A 74 -10.442 -5.901 -3.252 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.873 -2.878 -2.079 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.592 -2.495 -2.824 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.562 -3.751 -0.871 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.891 -1.290 -2.238 1.00 0.00 C ATOM 0 H ILE A 74 -11.304 -3.080 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.795 -3.120 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.339 -1.962 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.908 -3.344 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.834 -2.293 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.855 -3.235 -0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.481 -3.951 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.127 -4.693 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.992 -1.076 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.558 -0.429 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.617 -1.496 -1.203 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.249 -5.388 -3.212 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.799 -6.770 -3.339 1.00 0.00 C ATOM 1098 C GLU A 75 -8.468 -7.654 -2.284 1.00 0.00 C ATOM 1099 O GLU A 75 -8.013 -7.735 -1.142 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.272 -6.829 -3.199 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.727 -5.929 -2.104 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.900 -4.780 -2.650 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.421 -4.885 -3.798 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.730 -3.776 -1.926 1.00 0.00 O ATOM 0 H GLU A 75 -7.493 -4.705 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.082 -7.145 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.974 -7.857 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.817 -6.548 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.557 -5.529 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.115 -6.521 -1.423 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.568 -8.294 -2.677 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.329 -9.128 -1.760 1.00 0.00 C ATOM 1113 C GLY A 76 -9.529 -10.282 -1.187 1.00 0.00 C ATOM 1114 O GLY A 76 -9.769 -10.706 -0.057 1.00 0.00 O ATOM 0 H GLY A 76 -9.948 -8.249 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.699 -8.511 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.201 -9.524 -2.280 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.574 -10.788 -1.959 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.745 -11.900 -1.508 1.00 0.00 C ATOM 1120 C VAL A 77 -6.573 -11.393 -0.686 1.00 0.00 C ATOM 1121 O VAL A 77 -6.160 -12.026 0.283 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.202 -12.720 -2.695 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.593 -14.028 -2.208 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.301 -12.978 -3.713 1.00 0.00 C ATOM 0 H VAL A 77 -8.355 -10.448 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.378 -12.543 -0.895 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.417 -12.143 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.215 -14.593 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.773 -13.815 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.354 -14.614 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.899 -13.558 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.111 -13.534 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.682 -12.027 -4.086 1.00 0.00 H new ATOM 1134 N SER A 78 -6.076 -10.221 -1.053 1.00 0.00 N ATOM 1135 CA SER A 78 -4.955 -9.615 -0.358 1.00 0.00 C ATOM 1136 C SER A 78 -5.437 -8.622 0.689 1.00 0.00 C ATOM 1137 O SER A 78 -5.611 -7.440 0.397 1.00 0.00 O ATOM 1138 CB SER A 78 -4.038 -8.897 -1.356 1.00 0.00 C ATOM 1139 OG SER A 78 -3.047 -8.141 -0.683 1.00 0.00 O ATOM 0 H SER A 78 -6.435 -9.670 -1.833 1.00 0.00 H new ATOM 0 HA SER A 78 -4.400 -10.410 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.561 -9.629 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.631 -8.241 -1.993 1.00 0.00 H new ATOM 0 HG SER A 78 -3.433 -7.293 -0.380 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.629 -9.091 1.917 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.027 -8.193 2.992 1.00 0.00 C ATOM 1147 C ASN A 79 -4.825 -7.388 3.415 1.00 0.00 C ATOM 1148 O ASN A 79 -3.750 -7.931 3.676 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.611 -8.941 4.188 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.483 -8.169 5.504 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.251 -8.773 6.553 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -6.641 -6.834 5.476 1.00 0.00 N ATOM 0 H ASN A 79 -5.518 -10.068 2.189 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.814 -7.538 2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.664 -9.151 3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.107 -9.903 4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.570 -6.294 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.832 -6.361 4.592 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.010 -6.091 3.459 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.930 -5.189 3.740 1.00 0.00 C ATOM 1161 C ILE A 80 -3.941 -4.703 5.177 1.00 0.00 C ATOM 1162 O ILE A 80 -5.000 -4.517 5.778 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.031 -3.970 2.821 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.243 -4.407 1.372 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.802 -3.101 2.953 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.687 -4.330 0.927 1.00 0.00 C ATOM 0 H ILE A 80 -5.910 -5.637 3.301 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.003 -5.737 3.571 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.895 -3.378 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.635 -3.781 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.888 -5.431 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.893 -2.239 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.707 -2.759 3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.918 -3.677 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.766 -4.654 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.297 -4.978 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.040 -3.302 1.014 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.752 -4.430 5.691 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.613 -3.820 6.993 1.00 0.00 C ATOM 1180 C GLU A 81 -2.718 -2.326 6.781 1.00 0.00 C ATOM 1181 O GLU A 81 -1.721 -1.602 6.787 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.273 -4.187 7.635 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.143 -3.724 9.078 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.754 -4.846 10.021 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -0.178 -5.848 9.547 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.026 -4.723 11.234 1.00 0.00 O ATOM 0 H GLU A 81 -1.869 -4.624 5.219 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.388 -4.175 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.145 -5.269 7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.466 -3.749 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.396 -2.932 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.090 -3.293 9.404 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.931 -1.907 6.455 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.208 -0.532 6.096 1.00 0.00 C ATOM 1195 C VAL A 82 -4.330 0.341 7.341 1.00 0.00 C ATOM 1196 O VAL A 82 -5.316 1.053 7.537 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.502 -0.456 5.254 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.799 0.979 4.843 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.392 -1.344 4.028 1.00 0.00 C ATOM 0 H VAL A 82 -4.750 -2.515 6.433 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.376 -0.156 5.501 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.328 -0.813 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.714 1.006 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.924 1.594 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.971 1.366 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.312 -1.278 3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.552 -1.016 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.233 -2.376 4.340 1.00 0.00 H new ATOM 1209 N THR A 83 -3.333 0.237 8.207 1.00 0.00 N ATOM 1210 CA THR A 83 -3.303 1.018 9.431 1.00 0.00 C ATOM 1211 C THR A 83 -1.940 1.671 9.640 1.00 0.00 C ATOM 1212 O THR A 83 -1.669 2.209 10.714 1.00 0.00 O ATOM 1213 CB THR A 83 -3.646 0.132 10.630 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.637 -0.819 10.283 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.154 0.913 11.821 1.00 0.00 C ATOM 0 H THR A 83 -2.533 -0.383 8.083 1.00 0.00 H new ATOM 0 HA THR A 83 -4.048 1.809 9.342 1.00 0.00 H new ATOM 0 HB THR A 83 -2.712 -0.357 10.908 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.842 -1.377 11.062 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.379 0.226 12.637 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.391 1.622 12.143 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.058 1.454 11.542 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.048 1.560 8.654 1.00 0.00 N ATOM 1224 CA ASP A 84 0.278 2.135 8.791 1.00 0.00 C ATOM 1225 C ASP A 84 0.278 3.603 8.388 1.00 0.00 C ATOM 1226 O ASP A 84 -0.225 3.966 7.325 1.00 0.00 O ATOM 1227 CB ASP A 84 1.287 1.345 7.962 1.00 0.00 C ATOM 1228 CG ASP A 84 1.467 -0.072 8.469 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.523 -0.878 8.329 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.551 -0.375 9.007 1.00 0.00 O ATOM 0 H ASP A 84 -1.221 1.084 7.769 1.00 0.00 H new ATOM 0 HA ASP A 84 0.571 2.076 9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.958 1.317 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.248 1.859 7.978 1.00 0.00 H new ATOM 1235 N VAL A 85 0.857 4.441 9.239 1.00 0.00 N ATOM 1236 CA VAL A 85 0.909 5.871 8.984 1.00 0.00 C ATOM 1237 C VAL A 85 2.196 6.480 9.528 1.00 0.00 C ATOM 1238 O VAL A 85 2.726 6.036 10.547 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.304 6.591 9.606 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.168 6.678 11.119 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.476 7.973 8.994 1.00 0.00 C ATOM 0 H VAL A 85 1.297 4.152 10.113 1.00 0.00 H new ATOM 0 HA VAL A 85 0.884 6.006 7.903 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.198 6.007 9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.036 7.190 11.534 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.106 5.673 11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.735 7.233 11.372 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.337 8.466 9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.420 8.566 9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.634 7.878 7.920 1.00 0.00 H new ATOM 1251 N ARG A 86 2.696 7.493 8.831 1.00 0.00 N ATOM 1252 CA ARG A 86 3.924 8.161 9.218 1.00 0.00 C ATOM 1253 C ARG A 86 3.856 9.637 8.793 1.00 0.00 C ATOM 1254 O ARG A 86 4.261 10.014 7.693 1.00 0.00 O ATOM 1255 CB ARG A 86 5.116 7.397 8.614 1.00 0.00 C ATOM 1256 CG ARG A 86 6.181 8.256 7.965 1.00 0.00 C ATOM 1257 CD ARG A 86 7.581 7.776 8.315 1.00 0.00 C ATOM 1258 NE ARG A 86 8.610 8.502 7.576 1.00 0.00 N ATOM 1259 CZ ARG A 86 9.403 7.941 6.669 1.00 0.00 C ATOM 1260 NH1 ARG A 86 9.291 6.649 6.390 1.00 0.00 N ATOM 1261 NH2 ARG A 86 10.313 8.673 6.040 1.00 0.00 N ATOM 0 H ARG A 86 2.262 7.870 7.988 1.00 0.00 H new ATOM 0 HA ARG A 86 4.059 8.157 10.300 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.582 6.805 9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.737 6.696 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.051 8.241 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.060 9.290 8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.749 7.898 9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.663 6.711 8.099 1.00 0.00 H new ATOM 0 HE ARG A 86 8.727 9.497 7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.594 6.082 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.902 6.223 5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.404 9.666 6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.922 8.242 5.344 1.00 0.00 H new ATOM 1275 N ARG A 87 3.186 10.435 9.621 1.00 0.00 N ATOM 1276 CA ARG A 87 2.975 11.853 9.334 1.00 0.00 C ATOM 1277 C ARG A 87 4.142 12.719 9.805 1.00 0.00 C ATOM 1278 O ARG A 87 4.222 13.065 10.984 1.00 0.00 O ATOM 1279 CB ARG A 87 1.688 12.334 10.010 1.00 0.00 C ATOM 1280 CG ARG A 87 0.541 11.343 9.914 1.00 0.00 C ATOM 1281 CD ARG A 87 -0.694 11.984 9.311 1.00 0.00 C ATOM 1282 NE ARG A 87 -1.921 11.544 9.969 1.00 0.00 N ATOM 1283 CZ ARG A 87 -3.118 11.564 9.389 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -3.249 12.001 8.144 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -4.185 11.146 10.056 1.00 0.00 N ATOM 0 H ARG A 87 2.777 10.122 10.502 1.00 0.00 H new ATOM 0 HA ARG A 87 2.897 11.955 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.894 12.537 11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.381 13.277 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.844 10.491 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.306 10.959 10.907 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.612 13.068 9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.746 11.741 8.250 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.857 11.202 10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.430 12.323 7.628 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.168 12.015 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.088 10.809 11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.103 11.161 9.611 1.00 0.00 H new ATOM 1299 N LEU A 88 5.030 13.096 8.887 1.00 0.00 N ATOM 1300 CA LEU A 88 6.132 13.990 9.239 1.00 0.00 C ATOM 1301 C LEU A 88 5.687 15.438 9.127 1.00 0.00 C ATOM 1302 O LEU A 88 5.808 16.045 8.064 1.00 0.00 O ATOM 1303 CB LEU A 88 7.367 13.781 8.360 1.00 0.00 C ATOM 1304 CG LEU A 88 7.316 12.606 7.391 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.549 12.617 6.502 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.211 11.300 8.151 1.00 0.00 C ATOM 0 H LEU A 88 5.010 12.803 7.910 1.00 0.00 H new ATOM 0 HA LEU A 88 6.409 13.753 10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.535 14.691 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.232 13.650 9.011 1.00 0.00 H new ATOM 0 HG LEU A 88 6.432 12.702 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.507 11.775 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.582 13.548 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.444 12.536 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.176 10.470 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.079 11.187 8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.303 11.302 8.754 1.00 0.00 H new ATOM 1318 N MET A 89 5.141 15.974 10.213 1.00 0.00 N ATOM 1319 CA MET A 89 4.673 17.356 10.231 1.00 0.00 C ATOM 1320 C MET A 89 5.735 18.283 10.814 1.00 0.00 C ATOM 1321 O MET A 89 6.849 17.798 11.102 1.00 0.00 O ATOM 1322 CB MET A 89 3.374 17.473 11.035 1.00 0.00 C ATOM 1323 CG MET A 89 3.437 16.815 12.404 1.00 0.00 C ATOM 1324 SD MET A 89 1.810 16.621 13.157 1.00 0.00 S ATOM 1325 CE MET A 89 0.990 15.597 11.937 1.00 0.00 C ATOM 1326 OXT MET A 89 5.444 19.487 10.975 1.00 0.00 O ATOM 0 H MET A 89 5.011 15.473 11.092 1.00 0.00 H new ATOM 0 HA MET A 89 4.479 17.659 9.202 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.129 18.528 11.160 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.562 17.023 10.463 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.909 15.837 12.311 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.068 17.413 13.061 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.236 14.981 12.427 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.512 16.232 11.191 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.723 14.954 11.450 1.00 0.00 H new TER 1336 MET A 89