USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=12 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 Set 1.1: A 9 LYS NZ :NH3+ 143:sc= 0.12 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -6.32! C(o=-6.2!,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -147:sc= -0.817 USER MOD Single : A 11 MET CE :methyl 179:sc= -1.01 (180deg=-1.02) USER MOD Single : A 14 SER OG : rot -170:sc= 0.216 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.922 K(o=-0.92,f=-0.24) USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.558 USER MOD Single : A 37 HIS : no HD1:sc= -3.35! C(o=-3.4!,f=-9.1!) USER MOD Single : A 38 LYS NZ :NH3+ 163:sc=-0.00447 (180deg=-0.0703) 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 -54:sc= -0.0673 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -1.77! USER MOD Single : A 79 ASN : amide:sc= -3.02! K(o=-3!,f=-0.88) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -156:sc= -0.279 (180deg=-0.979) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.923 18.248 7.211 1.00 0.00 N ATOM 2 CA MET A 1 8.833 18.167 8.218 1.00 0.00 C ATOM 3 C MET A 1 7.569 18.858 7.722 1.00 0.00 C ATOM 4 O MET A 1 7.335 20.031 8.016 1.00 0.00 O ATOM 5 CB MET A 1 9.315 18.816 9.514 1.00 0.00 C ATOM 6 CG MET A 1 9.164 17.922 10.733 1.00 0.00 C ATOM 7 SD MET A 1 10.699 17.088 11.180 1.00 0.00 S ATOM 8 CE MET A 1 10.082 15.484 11.686 1.00 0.00 C ATOM 0 H1 MET A 1 10.770 17.769 7.577 1.00 0.00 H new ATOM 0 H2 MET A 1 9.617 17.786 6.331 1.00 0.00 H new ATOM 0 H3 MET A 1 10.145 19.246 7.019 1.00 0.00 H new ATOM 0 HA MET A 1 8.587 17.119 8.392 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.364 19.093 9.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.757 19.738 9.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.822 18.521 11.577 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.394 17.176 10.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.917 14.853 11.992 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.394 15.606 12.522 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.560 15.015 10.852 1.00 0.00 H new ATOM 20 N GLY A 2 6.761 18.127 6.964 1.00 0.00 N ATOM 21 CA GLY A 2 5.525 18.686 6.444 1.00 0.00 C ATOM 22 C GLY A 2 4.829 17.748 5.477 1.00 0.00 C ATOM 23 O GLY A 2 3.702 18.003 5.053 1.00 0.00 O ATOM 0 H GLY A 2 6.938 17.158 6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.854 18.912 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.739 19.629 5.941 1.00 0.00 H new ATOM 27 N ASP A 3 5.526 16.684 5.092 1.00 0.00 N ATOM 28 CA ASP A 3 4.978 15.699 4.166 1.00 0.00 C ATOM 29 C ASP A 3 4.225 14.601 4.905 1.00 0.00 C ATOM 30 O ASP A 3 4.649 14.149 5.967 1.00 0.00 O ATOM 31 CB ASP A 3 6.092 15.088 3.316 1.00 0.00 C ATOM 32 CG ASP A 3 7.142 14.384 4.152 1.00 0.00 C ATOM 33 OD1 ASP A 3 7.801 15.059 4.971 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.308 13.158 3.985 1.00 0.00 O ATOM 0 H ASP A 3 6.474 16.481 5.408 1.00 0.00 H new ATOM 0 HA ASP A 3 4.273 16.214 3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.659 14.379 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.567 15.873 2.728 1.00 0.00 H new ATOM 39 N VAL A 4 3.107 14.173 4.332 1.00 0.00 N ATOM 40 CA VAL A 4 2.303 13.105 4.916 1.00 0.00 C ATOM 41 C VAL A 4 2.638 11.762 4.271 1.00 0.00 C ATOM 42 O VAL A 4 2.268 11.506 3.125 1.00 0.00 O ATOM 43 CB VAL A 4 0.795 13.379 4.762 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.009 12.683 5.863 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.516 14.875 4.763 1.00 0.00 C ATOM 0 H VAL A 4 2.735 14.550 3.460 1.00 0.00 H new ATOM 0 HA VAL A 4 2.543 13.070 5.979 1.00 0.00 H new ATOM 0 HB VAL A 4 0.471 12.975 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.054 12.889 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.180 11.608 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.337 13.053 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.555 15.045 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.858 15.308 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.045 15.344 3.934 1.00 0.00 H new ATOM 55 N VAL A 5 3.339 10.909 5.012 1.00 0.00 N ATOM 56 CA VAL A 5 3.737 9.599 4.503 1.00 0.00 C ATOM 57 C VAL A 5 2.881 8.488 5.112 1.00 0.00 C ATOM 58 O VAL A 5 2.982 8.203 6.301 1.00 0.00 O ATOM 59 CB VAL A 5 5.229 9.319 4.800 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.541 7.828 4.731 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.116 10.097 3.840 1.00 0.00 C ATOM 0 H VAL A 5 3.643 11.101 5.966 1.00 0.00 H new ATOM 0 HA VAL A 5 3.585 9.611 3.424 1.00 0.00 H new ATOM 0 HB VAL A 5 5.436 9.653 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.598 7.667 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.937 7.296 5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.312 7.454 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.163 9.889 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.896 9.796 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.926 11.164 3.953 1.00 0.00 H new ATOM 71 N ALA A 6 2.033 7.870 4.291 1.00 0.00 N ATOM 72 CA ALA A 6 1.190 6.768 4.749 1.00 0.00 C ATOM 73 C ALA A 6 1.780 5.432 4.311 1.00 0.00 C ATOM 74 O ALA A 6 2.688 5.399 3.484 1.00 0.00 O ATOM 75 CB ALA A 6 -0.228 6.925 4.221 1.00 0.00 C ATOM 0 H ALA A 6 1.912 8.113 3.308 1.00 0.00 H new ATOM 0 HA ALA A 6 1.153 6.790 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.841 6.095 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.648 7.864 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.212 6.928 3.131 1.00 0.00 H new ATOM 81 N THR A 7 1.281 4.332 4.874 1.00 0.00 N ATOM 82 CA THR A 7 1.779 3.009 4.505 1.00 0.00 C ATOM 83 C THR A 7 0.668 1.959 4.478 1.00 0.00 C ATOM 84 O THR A 7 -0.081 1.776 5.452 1.00 0.00 O ATOM 85 CB THR A 7 2.894 2.564 5.444 1.00 0.00 C ATOM 86 OG1 THR A 7 3.829 3.610 5.645 1.00 0.00 O ATOM 87 CG2 THR A 7 3.650 1.357 4.932 1.00 0.00 C ATOM 0 H THR A 7 0.543 4.330 5.578 1.00 0.00 H new ATOM 0 HA THR A 7 2.178 3.096 3.494 1.00 0.00 H new ATOM 0 HB THR A 7 2.402 2.296 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.724 3.230 5.768 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.431 1.088 5.643 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.962 0.520 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.102 1.593 3.969 1.00 0.00 H new ATOM 95 N ILE A 8 0.622 1.242 3.356 1.00 0.00 N ATOM 96 CA ILE A 8 -0.370 0.202 3.110 1.00 0.00 C ATOM 97 C ILE A 8 0.318 -1.145 2.836 1.00 0.00 C ATOM 98 O ILE A 8 0.961 -1.313 1.802 1.00 0.00 O ATOM 99 CB ILE A 8 -1.232 0.588 1.891 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.654 2.062 1.971 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.439 -0.314 1.781 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.764 2.338 2.966 1.00 0.00 C ATOM 0 H ILE A 8 1.279 1.370 2.587 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.999 0.106 3.995 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.631 0.456 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.785 2.663 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.977 2.390 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.033 -0.023 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.112 -1.347 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.045 -0.223 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.002 3.402 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.650 1.767 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.439 2.044 3.964 1.00 0.00 H new ATOM 114 N LYS A 9 0.238 -2.076 3.791 1.00 0.00 N ATOM 115 CA LYS A 9 0.896 -3.386 3.651 1.00 0.00 C ATOM 116 C LYS A 9 -0.070 -4.460 3.156 1.00 0.00 C ATOM 117 O LYS A 9 -0.762 -5.096 3.946 1.00 0.00 O ATOM 118 CB LYS A 9 1.511 -3.822 4.978 1.00 0.00 C ATOM 119 CG LYS A 9 1.714 -2.685 5.973 1.00 0.00 C ATOM 120 CD LYS A 9 3.151 -2.200 5.998 1.00 0.00 C ATOM 121 CE LYS A 9 4.019 -3.063 6.898 1.00 0.00 C ATOM 122 NZ LYS A 9 5.353 -2.448 7.139 1.00 0.00 N ATOM 0 H LYS A 9 -0.272 -1.952 4.666 1.00 0.00 H new ATOM 0 HA LYS A 9 1.683 -3.270 2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.870 -4.578 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.473 -4.295 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.056 -1.855 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.427 -3.020 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.556 -2.208 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.181 -1.167 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.513 -3.217 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.149 -4.045 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.650 -2.635 8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.048 -2.857 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.295 -1.421 6.985 1.00 0.00 H new ATOM 136 N VAL A 10 -0.092 -4.678 1.849 1.00 0.00 N ATOM 137 CA VAL A 10 -1.028 -5.631 1.243 1.00 0.00 C ATOM 138 C VAL A 10 -0.414 -7.025 1.085 1.00 0.00 C ATOM 139 O VAL A 10 0.740 -7.162 0.685 1.00 0.00 O ATOM 140 CB VAL A 10 -1.545 -5.115 -0.130 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.129 -3.666 -0.349 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.073 -5.988 -1.285 1.00 0.00 C ATOM 0 H VAL A 10 0.524 -4.212 1.183 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.872 -5.716 1.927 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.633 -5.170 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.500 -3.323 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.547 -3.044 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.042 -3.593 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.458 -5.589 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.017 -5.995 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.439 -7.005 -1.145 1.00 0.00 H new ATOM 152 N MET A 11 -1.203 -8.060 1.396 1.00 0.00 N ATOM 153 CA MET A 11 -0.737 -9.440 1.265 1.00 0.00 C ATOM 154 C MET A 11 -1.879 -10.398 0.881 1.00 0.00 C ATOM 155 O MET A 11 -2.865 -10.548 1.612 1.00 0.00 O ATOM 156 CB MET A 11 -0.040 -9.900 2.562 1.00 0.00 C ATOM 157 CG MET A 11 -0.940 -10.616 3.561 1.00 0.00 C ATOM 158 SD MET A 11 -0.082 -11.916 4.467 1.00 0.00 S ATOM 159 CE MET A 11 -0.526 -13.358 3.500 1.00 0.00 C ATOM 0 H MET A 11 -2.160 -7.967 1.737 1.00 0.00 H new ATOM 0 HA MET A 11 -0.011 -9.468 0.453 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.783 -10.564 2.298 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.397 -9.029 3.050 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.340 -9.890 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.790 -11.048 3.033 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.054 -14.242 3.928 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.609 -13.484 3.511 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.186 -13.226 2.473 1.00 0.00 H new ATOM 169 N PRO A 12 -1.751 -11.069 -0.282 1.00 0.00 N ATOM 170 CA PRO A 12 -2.744 -12.036 -0.771 1.00 0.00 C ATOM 171 C PRO A 12 -2.786 -13.296 0.089 1.00 0.00 C ATOM 172 O PRO A 12 -1.773 -13.975 0.267 1.00 0.00 O ATOM 173 CB PRO A 12 -2.261 -12.373 -2.192 1.00 0.00 C ATOM 174 CG PRO A 12 -1.291 -11.295 -2.528 1.00 0.00 C ATOM 175 CD PRO A 12 -0.639 -10.930 -1.227 1.00 0.00 C ATOM 0 HA PRO A 12 -3.755 -11.630 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.789 -13.355 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.091 -12.393 -2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.555 -11.640 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.795 -10.436 -2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.189 -11.596 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.239 -9.916 -1.241 1.00 0.00 H new ATOM 183 N GLU A 13 -3.960 -13.586 0.636 1.00 0.00 N ATOM 184 CA GLU A 13 -4.152 -14.752 1.490 1.00 0.00 C ATOM 185 C GLU A 13 -3.747 -16.034 0.774 1.00 0.00 C ATOM 186 O GLU A 13 -3.333 -17.006 1.407 1.00 0.00 O ATOM 187 CB GLU A 13 -5.614 -14.849 1.933 1.00 0.00 C ATOM 188 CG GLU A 13 -5.870 -14.274 3.316 1.00 0.00 C ATOM 189 CD GLU A 13 -5.856 -15.335 4.400 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.279 -16.476 4.120 1.00 0.00 O ATOM 191 OE2 GLU A 13 -5.423 -15.023 5.530 1.00 0.00 O ATOM 0 H GLU A 13 -4.801 -13.024 0.502 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.515 -14.632 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.240 -14.326 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.920 -15.895 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.113 -13.522 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.835 -13.767 3.322 1.00 0.00 H new ATOM 198 N SER A 14 -3.887 -16.035 -0.545 1.00 0.00 N ATOM 199 CA SER A 14 -3.547 -17.202 -1.344 1.00 0.00 C ATOM 200 C SER A 14 -2.041 -17.329 -1.518 1.00 0.00 C ATOM 201 O SER A 14 -1.324 -16.329 -1.533 1.00 0.00 O ATOM 202 CB SER A 14 -4.210 -17.113 -2.719 1.00 0.00 C ATOM 203 OG SER A 14 -3.326 -16.558 -3.678 1.00 0.00 O ATOM 0 H SER A 14 -4.234 -15.241 -1.083 1.00 0.00 H new ATOM 0 HA SER A 14 -3.913 -18.083 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.522 -18.107 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.110 -16.502 -2.653 1.00 0.00 H new ATOM 0 HG SER A 14 -3.818 -16.365 -4.503 1.00 0.00 H new ATOM 209 N PRO A 15 -1.540 -18.566 -1.680 1.00 0.00 N ATOM 210 CA PRO A 15 -0.115 -18.806 -1.895 1.00 0.00 C ATOM 211 C PRO A 15 0.340 -18.274 -3.248 1.00 0.00 C ATOM 212 O PRO A 15 1.529 -18.289 -3.568 1.00 0.00 O ATOM 213 CB PRO A 15 0.009 -20.330 -1.843 1.00 0.00 C ATOM 214 CG PRO A 15 -1.342 -20.833 -2.219 1.00 0.00 C ATOM 215 CD PRO A 15 -2.322 -19.818 -1.697 1.00 0.00 C ATOM 0 HA PRO A 15 0.508 -18.302 -1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.772 -20.689 -2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.295 -20.670 -0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.431 -20.941 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.528 -21.815 -1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.198 -19.736 -2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.682 -20.081 -0.702 1.00 0.00 H new ATOM 223 N ASP A 16 -0.623 -17.818 -4.045 1.00 0.00 N ATOM 224 CA ASP A 16 -0.330 -17.265 -5.360 1.00 0.00 C ATOM 225 C ASP A 16 -0.148 -15.755 -5.277 1.00 0.00 C ATOM 226 O ASP A 16 -0.509 -15.024 -6.200 1.00 0.00 O ATOM 227 CB ASP A 16 -1.452 -17.606 -6.343 1.00 0.00 C ATOM 228 CG ASP A 16 -1.457 -19.072 -6.728 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.415 -19.563 -7.213 1.00 0.00 O ATOM 230 OD2 ASP A 16 -2.502 -19.731 -6.545 1.00 0.00 O ATOM 0 H ASP A 16 -1.613 -17.822 -3.801 1.00 0.00 H new ATOM 0 HA ASP A 16 0.599 -17.708 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.413 -17.347 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.342 -16.998 -7.241 1.00 0.00 H new ATOM 235 N VAL A 17 0.405 -15.294 -4.160 1.00 0.00 N ATOM 236 CA VAL A 17 0.633 -13.870 -3.952 1.00 0.00 C ATOM 237 C VAL A 17 1.696 -13.361 -4.930 1.00 0.00 C ATOM 238 O VAL A 17 2.899 -13.418 -4.669 1.00 0.00 O ATOM 239 CB VAL A 17 0.999 -13.543 -2.476 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.454 -14.788 -1.741 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.034 -12.426 -2.356 1.00 0.00 C ATOM 0 H VAL A 17 0.703 -15.887 -3.385 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.301 -13.345 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 17 0.089 -13.175 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.704 -14.532 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.653 -15.527 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.333 -15.202 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.250 -12.242 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.950 -12.722 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.642 -11.516 -2.811 1.00 0.00 H new ATOM 251 N ASP A 18 1.232 -12.975 -6.112 1.00 0.00 N ATOM 252 CA ASP A 18 2.108 -12.458 -7.156 1.00 0.00 C ATOM 253 C ASP A 18 2.641 -11.085 -6.772 1.00 0.00 C ATOM 254 O ASP A 18 1.902 -10.104 -6.771 1.00 0.00 O ATOM 255 CB ASP A 18 1.358 -12.379 -8.485 1.00 0.00 C ATOM 256 CG ASP A 18 1.356 -13.701 -9.228 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.407 -14.375 -9.241 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.305 -14.061 -9.795 1.00 0.00 O ATOM 0 H ASP A 18 0.247 -13.011 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 18 2.951 -13.139 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.330 -12.068 -8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.815 -11.614 -9.112 1.00 0.00 H new ATOM 263 N LEU A 19 3.917 -11.030 -6.415 1.00 0.00 N ATOM 264 CA LEU A 19 4.546 -9.779 -6.011 1.00 0.00 C ATOM 265 C LEU A 19 4.535 -8.765 -7.146 1.00 0.00 C ATOM 266 O LEU A 19 4.105 -7.626 -6.971 1.00 0.00 O ATOM 267 CB LEU A 19 5.985 -10.031 -5.558 1.00 0.00 C ATOM 268 CG LEU A 19 6.533 -9.023 -4.546 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.593 -9.673 -3.668 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.102 -7.806 -5.259 1.00 0.00 C ATOM 0 H LEU A 19 4.538 -11.839 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 19 3.972 -9.371 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.043 -11.028 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.631 -10.029 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 19 5.712 -8.694 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.972 -8.942 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.154 -10.513 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.413 -10.030 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.487 -7.100 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.910 -8.117 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.317 -7.327 -5.845 1.00 0.00 H new ATOM 282 N GLU A 20 4.974 -9.199 -8.322 1.00 0.00 N ATOM 283 CA GLU A 20 5.050 -8.313 -9.474 1.00 0.00 C ATOM 284 C GLU A 20 3.659 -7.928 -9.954 1.00 0.00 C ATOM 285 O GLU A 20 3.433 -6.793 -10.373 1.00 0.00 O ATOM 286 CB GLU A 20 5.826 -8.984 -10.611 1.00 0.00 C ATOM 287 CG GLU A 20 5.845 -8.173 -11.898 1.00 0.00 C ATOM 288 CD GLU A 20 6.828 -8.716 -12.915 1.00 0.00 C ATOM 289 OE1 GLU A 20 8.018 -8.343 -12.849 1.00 0.00 O ATOM 290 OE2 GLU A 20 6.409 -9.514 -13.781 1.00 0.00 O ATOM 0 H GLU A 20 5.281 -10.155 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 20 5.575 -7.407 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.852 -9.158 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.386 -9.960 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.845 -8.165 -12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.101 -7.139 -11.668 1.00 0.00 H new ATOM 297 N ALA A 21 2.728 -8.873 -9.899 1.00 0.00 N ATOM 298 CA ALA A 21 1.360 -8.593 -10.311 1.00 0.00 C ATOM 299 C ALA A 21 0.674 -7.680 -9.304 1.00 0.00 C ATOM 300 O ALA A 21 -0.164 -6.854 -9.667 1.00 0.00 O ATOM 301 CB ALA A 21 0.573 -9.881 -10.495 1.00 0.00 C ATOM 0 H ALA A 21 2.892 -9.827 -9.578 1.00 0.00 H new ATOM 0 HA ALA A 21 1.393 -8.080 -11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.445 -9.644 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.050 -10.493 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.549 -10.430 -9.554 1.00 0.00 H new ATOM 307 N LEU A 22 1.028 -7.848 -8.036 1.00 0.00 N ATOM 308 CA LEU A 22 0.485 -7.013 -6.974 1.00 0.00 C ATOM 309 C LEU A 22 0.949 -5.580 -7.166 1.00 0.00 C ATOM 310 O LEU A 22 0.230 -4.632 -6.860 1.00 0.00 O ATOM 311 CB LEU A 22 0.930 -7.534 -5.600 1.00 0.00 C ATOM 312 CG LEU A 22 -0.030 -7.267 -4.426 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.456 -7.032 -4.908 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.007 -8.421 -3.437 1.00 0.00 C ATOM 0 H LEU A 22 1.690 -8.556 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.604 -7.048 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.086 -8.610 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.895 -7.088 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 22 0.306 -6.359 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.104 -6.847 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.478 -6.168 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.808 -7.912 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.677 -8.216 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.294 -9.340 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.019 -8.535 -3.048 1.00 0.00 H new ATOM 326 N LYS A 23 2.153 -5.446 -7.703 1.00 0.00 N ATOM 327 CA LYS A 23 2.740 -4.144 -7.976 1.00 0.00 C ATOM 328 C LYS A 23 1.852 -3.343 -8.914 1.00 0.00 C ATOM 329 O LYS A 23 1.604 -2.158 -8.693 1.00 0.00 O ATOM 330 CB LYS A 23 4.126 -4.326 -8.590 1.00 0.00 C ATOM 331 CG LYS A 23 5.256 -4.046 -7.615 1.00 0.00 C ATOM 332 CD LYS A 23 6.442 -3.403 -8.306 1.00 0.00 C ATOM 333 CE LYS A 23 7.577 -4.396 -8.497 1.00 0.00 C ATOM 334 NZ LYS A 23 7.773 -4.746 -9.932 1.00 0.00 N ATOM 0 H LYS A 23 2.748 -6.234 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 23 2.830 -3.595 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.220 -5.346 -8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.225 -3.664 -9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.898 -3.391 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.570 -4.977 -7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.132 -3.011 -9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.793 -2.556 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.499 -3.975 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.367 -5.302 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.556 -5.425 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.902 -5.171 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.999 -3.886 -10.471 1.00 0.00 H new ATOM 348 N LYS A 24 1.364 -4.004 -9.957 1.00 0.00 N ATOM 349 CA LYS A 24 0.482 -3.364 -10.920 1.00 0.00 C ATOM 350 C LYS A 24 -0.835 -2.980 -10.258 1.00 0.00 C ATOM 351 O LYS A 24 -1.365 -1.894 -10.492 1.00 0.00 O ATOM 352 CB LYS A 24 0.216 -4.293 -12.107 1.00 0.00 C ATOM 353 CG LYS A 24 1.401 -5.172 -12.476 1.00 0.00 C ATOM 354 CD LYS A 24 1.420 -5.488 -13.963 1.00 0.00 C ATOM 355 CE LYS A 24 0.977 -6.916 -14.237 1.00 0.00 C ATOM 356 NZ LYS A 24 0.036 -6.993 -15.388 1.00 0.00 N ATOM 0 H LYS A 24 1.566 -4.984 -10.156 1.00 0.00 H new ATOM 0 HA LYS A 24 0.972 -2.461 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.638 -4.929 -11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.061 -3.691 -12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.328 -4.670 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.358 -6.100 -11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.765 -4.795 -14.491 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.426 -5.337 -14.355 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.851 -7.535 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.497 -7.324 -13.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.243 -7.983 -15.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.810 -6.423 -15.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.502 -6.627 -16.243 1.00 0.00 H new ATOM 370 N GLU A 25 -1.362 -3.884 -9.435 1.00 0.00 N ATOM 371 CA GLU A 25 -2.613 -3.630 -8.730 1.00 0.00 C ATOM 372 C GLU A 25 -2.438 -2.492 -7.736 1.00 0.00 C ATOM 373 O GLU A 25 -3.369 -1.735 -7.464 1.00 0.00 O ATOM 374 CB GLU A 25 -3.083 -4.892 -8.005 1.00 0.00 C ATOM 375 CG GLU A 25 -3.828 -5.867 -8.902 1.00 0.00 C ATOM 376 CD GLU A 25 -4.861 -6.682 -8.149 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.495 -7.309 -7.132 1.00 0.00 O ATOM 378 OE2 GLU A 25 -6.034 -6.693 -8.576 1.00 0.00 O ATOM 0 H GLU A 25 -0.944 -4.794 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.369 -3.345 -9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.218 -5.396 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.731 -4.605 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.320 -5.315 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.112 -6.541 -9.373 1.00 0.00 H new ATOM 385 N ILE A 26 -1.233 -2.393 -7.193 1.00 0.00 N ATOM 386 CA ILE A 26 -0.904 -1.356 -6.230 1.00 0.00 C ATOM 387 C ILE A 26 -1.069 0.026 -6.848 1.00 0.00 C ATOM 388 O ILE A 26 -1.612 0.936 -6.222 1.00 0.00 O ATOM 389 CB ILE A 26 0.537 -1.518 -5.701 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.588 -2.610 -4.632 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.057 -0.201 -5.141 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.919 -3.325 -4.561 1.00 0.00 C ATOM 0 H ILE A 26 -0.462 -3.025 -7.407 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.595 -1.458 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 26 1.178 -1.811 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.371 -2.166 -3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.197 -3.340 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.074 -0.338 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.054 0.555 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.416 0.124 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.882 -4.086 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.129 -3.798 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.706 -2.607 -4.330 1.00 0.00 H new ATOM 404 N GLN A 27 -0.581 0.183 -8.071 1.00 0.00 N ATOM 405 CA GLN A 27 -0.680 1.456 -8.765 1.00 0.00 C ATOM 406 C GLN A 27 -2.137 1.860 -8.934 1.00 0.00 C ATOM 407 O GLN A 27 -2.490 3.030 -8.793 1.00 0.00 O ATOM 408 CB GLN A 27 -0.001 1.369 -10.133 1.00 0.00 C ATOM 409 CG GLN A 27 1.461 0.956 -10.060 1.00 0.00 C ATOM 410 CD GLN A 27 2.402 2.094 -10.401 1.00 0.00 C ATOM 411 OE1 GLN A 27 3.305 1.943 -11.222 1.00 0.00 O ATOM 412 NE2 GLN A 27 2.189 3.243 -9.770 1.00 0.00 N ATOM 0 H GLN A 27 -0.114 -0.554 -8.600 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.174 2.213 -8.166 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.542 0.654 -10.753 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.072 2.338 -10.627 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.683 0.593 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.636 0.126 -10.745 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.427 3.321 -9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.787 4.047 -9.959 1.00 0.00 H new ATOM 421 N GLU A 28 -2.980 0.878 -9.236 1.00 0.00 N ATOM 422 CA GLU A 28 -4.401 1.128 -9.438 1.00 0.00 C ATOM 423 C GLU A 28 -5.116 1.372 -8.114 1.00 0.00 C ATOM 424 O GLU A 28 -6.174 2.003 -8.076 1.00 0.00 O ATOM 425 CB GLU A 28 -5.046 -0.053 -10.166 1.00 0.00 C ATOM 426 CG GLU A 28 -4.198 -0.602 -11.302 1.00 0.00 C ATOM 427 CD GLU A 28 -4.730 -1.912 -11.850 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.687 -2.458 -11.262 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.191 -2.392 -12.869 1.00 0.00 O ATOM 0 H GLU A 28 -2.703 -0.098 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.498 2.026 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.238 -0.851 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.012 0.259 -10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.156 0.133 -12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.177 -0.748 -10.950 1.00 0.00 H new ATOM 436 N ARG A 29 -4.545 0.854 -7.031 1.00 0.00 N ATOM 437 CA ARG A 29 -5.151 0.985 -5.713 1.00 0.00 C ATOM 438 C ARG A 29 -4.663 2.231 -4.978 1.00 0.00 C ATOM 439 O ARG A 29 -5.242 2.618 -3.961 1.00 0.00 O ATOM 440 CB ARG A 29 -4.863 -0.259 -4.882 1.00 0.00 C ATOM 441 CG ARG A 29 -3.469 -0.290 -4.287 1.00 0.00 C ATOM 442 CD ARG A 29 -3.282 -1.516 -3.412 1.00 0.00 C ATOM 443 NE ARG A 29 -2.065 -1.438 -2.608 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.843 -0.508 -1.685 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.753 0.427 -1.440 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.707 -0.514 -1.004 1.00 0.00 N ATOM 0 H ARG A 29 -3.664 0.340 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.227 1.090 -5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.593 -0.322 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.001 -1.141 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.728 -0.292 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.300 0.612 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.144 -1.626 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.245 -2.406 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.342 -2.140 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.629 0.435 -1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.576 1.138 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.005 -1.231 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.534 0.198 -0.295 1.00 0.00 H new ATOM 460 N ILE A 30 -3.588 2.844 -5.470 1.00 0.00 N ATOM 461 CA ILE A 30 -3.048 4.038 -4.824 1.00 0.00 C ATOM 462 C ILE A 30 -4.110 5.137 -4.757 1.00 0.00 C ATOM 463 O ILE A 30 -4.843 5.353 -5.722 1.00 0.00 O ATOM 464 CB ILE A 30 -1.800 4.588 -5.560 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.612 3.628 -5.427 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.421 5.967 -5.029 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.386 3.113 -4.019 1.00 0.00 C ATOM 0 H ILE A 30 -3.080 2.540 -6.301 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.750 3.743 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.053 4.678 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.769 2.779 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.291 4.136 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.542 6.333 -5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.251 6.657 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.198 5.898 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.472 2.441 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.195 3.953 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.272 2.575 -3.682 1.00 0.00 H new ATOM 479 N PRO A 31 -4.211 5.847 -3.614 1.00 0.00 N ATOM 480 CA PRO A 31 -5.174 6.936 -3.439 1.00 0.00 C ATOM 481 C PRO A 31 -5.209 7.874 -4.641 1.00 0.00 C ATOM 482 O PRO A 31 -4.200 8.485 -4.995 1.00 0.00 O ATOM 483 CB PRO A 31 -4.670 7.676 -2.188 1.00 0.00 C ATOM 484 CG PRO A 31 -3.347 7.065 -1.856 1.00 0.00 C ATOM 485 CD PRO A 31 -3.385 5.675 -2.414 1.00 0.00 C ATOM 0 HA PRO A 31 -6.193 6.563 -3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.570 8.744 -2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.370 7.565 -1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.531 7.639 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.184 7.049 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.388 5.305 -2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.827 4.967 -1.713 1.00 0.00 H new ATOM 493 N GLU A 32 -6.375 7.964 -5.276 1.00 0.00 N ATOM 494 CA GLU A 32 -6.556 8.807 -6.457 1.00 0.00 C ATOM 495 C GLU A 32 -6.205 10.268 -6.179 1.00 0.00 C ATOM 496 O GLU A 32 -6.219 11.098 -7.088 1.00 0.00 O ATOM 497 CB GLU A 32 -7.999 8.706 -6.955 1.00 0.00 C ATOM 498 CG GLU A 32 -8.397 7.302 -7.377 1.00 0.00 C ATOM 499 CD GLU A 32 -9.653 7.281 -8.225 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.684 7.979 -9.259 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.606 6.561 -7.856 1.00 0.00 O ATOM 0 H GLU A 32 -7.215 7.460 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.874 8.444 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.672 9.044 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.132 9.382 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.578 6.849 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.553 6.690 -6.488 1.00 0.00 H new ATOM 508 N GLY A 33 -5.888 10.581 -4.926 1.00 0.00 N ATOM 509 CA GLY A 33 -5.548 11.946 -4.570 1.00 0.00 C ATOM 510 C GLY A 33 -4.097 12.279 -4.864 1.00 0.00 C ATOM 511 O GLY A 33 -3.801 13.338 -5.418 1.00 0.00 O ATOM 0 H GLY A 33 -5.861 9.916 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.193 12.632 -5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.745 12.101 -3.509 1.00 0.00 H new ATOM 515 N THR A 34 -3.195 11.376 -4.495 1.00 0.00 N ATOM 516 CA THR A 34 -1.770 11.586 -4.724 1.00 0.00 C ATOM 517 C THR A 34 -1.133 10.366 -5.390 1.00 0.00 C ATOM 518 O THR A 34 -1.743 9.726 -6.247 1.00 0.00 O ATOM 519 CB THR A 34 -1.063 11.897 -3.402 1.00 0.00 C ATOM 520 OG1 THR A 34 -1.990 12.362 -2.436 1.00 0.00 O ATOM 521 CG2 THR A 34 0.026 12.939 -3.534 1.00 0.00 C ATOM 0 H THR A 34 -3.424 10.494 -4.037 1.00 0.00 H new ATOM 0 HA THR A 34 -1.656 12.436 -5.397 1.00 0.00 H new ATOM 0 HB THR A 34 -0.606 10.958 -3.091 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.737 13.264 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.485 13.111 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.783 12.587 -4.235 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.404 13.870 -3.902 1.00 0.00 H new ATOM 529 N GLU A 35 0.097 10.049 -4.988 1.00 0.00 N ATOM 530 CA GLU A 35 0.823 8.917 -5.549 1.00 0.00 C ATOM 531 C GLU A 35 1.561 8.157 -4.459 1.00 0.00 C ATOM 532 O GLU A 35 1.572 8.566 -3.298 1.00 0.00 O ATOM 533 CB GLU A 35 1.812 9.401 -6.611 1.00 0.00 C ATOM 534 CG GLU A 35 2.830 10.400 -6.084 1.00 0.00 C ATOM 535 CD GLU A 35 3.990 10.606 -7.038 1.00 0.00 C ATOM 536 OE1 GLU A 35 4.750 9.643 -7.268 1.00 0.00 O ATOM 537 OE2 GLU A 35 4.138 11.734 -7.555 1.00 0.00 O ATOM 0 H GLU A 35 0.611 10.564 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 35 0.103 8.243 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.339 8.541 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.257 9.858 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.337 11.356 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.211 10.053 -5.124 1.00 0.00 H new ATOM 544 N LEU A 36 2.182 7.052 -4.844 1.00 0.00 N ATOM 545 CA LEU A 36 2.907 6.214 -3.899 1.00 0.00 C ATOM 546 C LEU A 36 4.235 6.853 -3.494 1.00 0.00 C ATOM 547 O LEU A 36 4.529 7.991 -3.863 1.00 0.00 O ATOM 548 CB LEU A 36 3.157 4.828 -4.497 1.00 0.00 C ATOM 549 CG LEU A 36 3.675 4.824 -5.936 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.728 3.742 -6.120 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.528 4.627 -6.916 1.00 0.00 C ATOM 0 H LEU A 36 2.199 6.714 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 36 2.291 6.113 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.875 4.302 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.227 4.261 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 36 4.136 5.790 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.085 3.754 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.563 3.928 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.292 2.768 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.916 4.627 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.037 3.675 -6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.809 5.438 -6.802 1.00 0.00 H new ATOM 563 N HIS A 37 5.012 6.123 -2.702 1.00 0.00 N ATOM 564 CA HIS A 37 6.304 6.603 -2.225 1.00 0.00 C ATOM 565 C HIS A 37 7.386 5.558 -2.433 1.00 0.00 C ATOM 566 O HIS A 37 8.272 5.713 -3.274 1.00 0.00 O ATOM 567 CB HIS A 37 6.222 6.930 -0.737 1.00 0.00 C ATOM 568 CG HIS A 37 7.491 7.498 -0.181 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.962 8.726 -0.579 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.356 6.959 0.712 1.00 0.00 C ATOM 571 CE1 HIS A 37 9.086 8.916 0.087 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.366 7.871 0.879 1.00 0.00 N ATOM 0 H HIS A 37 4.767 5.189 -2.374 1.00 0.00 H new ATOM 0 HA HIS A 37 6.557 7.497 -2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.412 7.641 -0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.967 6.024 -0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.267 5.998 1.197 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.701 9.800 0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.177 7.773 1.490 1.00 0.00 H new ATOM 580 N LYS A 38 7.275 4.479 -1.669 1.00 0.00 N ATOM 581 CA LYS A 38 8.251 3.397 -1.694 1.00 0.00 C ATOM 582 C LYS A 38 7.636 2.119 -1.138 1.00 0.00 C ATOM 583 O LYS A 38 7.173 2.088 0.003 1.00 0.00 O ATOM 584 CB LYS A 38 9.472 3.777 -0.848 1.00 0.00 C ATOM 585 CG LYS A 38 10.401 4.784 -1.506 1.00 0.00 C ATOM 586 CD LYS A 38 10.990 4.247 -2.801 1.00 0.00 C ATOM 587 CE LYS A 38 12.508 4.219 -2.752 1.00 0.00 C ATOM 588 NZ LYS A 38 13.014 3.271 -1.721 1.00 0.00 N ATOM 0 H LYS A 38 6.507 4.329 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 38 8.557 3.230 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.128 4.185 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.037 2.873 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.854 5.704 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.207 5.038 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.612 3.241 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.663 4.867 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.897 3.934 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.883 5.220 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.016 3.061 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.916 3.699 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.463 2.390 -1.760 1.00 0.00 H new ATOM 602 N ILE A 39 7.621 1.067 -1.952 1.00 0.00 N ATOM 603 CA ILE A 39 7.032 -0.201 -1.543 1.00 0.00 C ATOM 604 C ILE A 39 8.071 -1.122 -0.908 1.00 0.00 C ATOM 605 O ILE A 39 9.272 -0.967 -1.130 1.00 0.00 O ATOM 606 CB ILE A 39 6.360 -0.915 -2.727 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.603 0.107 -3.586 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.424 -1.997 -2.212 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.596 -0.505 -4.537 1.00 0.00 C ATOM 0 H ILE A 39 8.009 1.069 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 39 6.271 0.031 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 39 7.120 -1.389 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.086 0.806 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.325 0.686 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.950 -2.500 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.992 -2.722 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.658 -1.546 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.106 0.285 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.107 -1.182 -5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.849 -1.060 -3.969 1.00 0.00 H new ATOM 621 N ASP A 40 7.597 -2.069 -0.101 1.00 0.00 N ATOM 622 CA ASP A 40 8.481 -2.993 0.603 1.00 0.00 C ATOM 623 C ASP A 40 8.084 -4.445 0.369 1.00 0.00 C ATOM 624 O ASP A 40 6.965 -4.846 0.682 1.00 0.00 O ATOM 625 CB ASP A 40 8.438 -2.706 2.101 1.00 0.00 C ATOM 626 CG ASP A 40 9.813 -2.737 2.740 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.544 -1.732 2.622 1.00 0.00 O ATOM 628 OD2 ASP A 40 10.157 -3.766 3.359 1.00 0.00 O ATOM 0 H ASP A 40 6.604 -2.216 0.081 1.00 0.00 H new ATOM 0 HA ASP A 40 9.488 -2.844 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.986 -1.728 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.798 -3.440 2.590 1.00 0.00 H new ATOM 633 N GLU A 41 9.021 -5.242 -0.130 1.00 0.00 N ATOM 634 CA GLU A 41 8.771 -6.661 -0.352 1.00 0.00 C ATOM 635 C GLU A 41 9.027 -7.454 0.928 1.00 0.00 C ATOM 636 O GLU A 41 10.014 -8.184 1.034 1.00 0.00 O ATOM 637 CB GLU A 41 9.656 -7.191 -1.484 1.00 0.00 C ATOM 638 CG GLU A 41 9.879 -6.187 -2.605 1.00 0.00 C ATOM 639 CD GLU A 41 11.314 -6.168 -3.095 1.00 0.00 C ATOM 640 OE1 GLU A 41 12.226 -6.005 -2.256 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.527 -6.314 -4.316 1.00 0.00 O ATOM 0 H GLU A 41 9.958 -4.931 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 41 7.726 -6.784 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.622 -7.483 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.201 -8.091 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.218 -6.426 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.605 -5.191 -2.256 1.00 0.00 H new ATOM 648 N GLU A 42 8.146 -7.283 1.910 1.00 0.00 N ATOM 649 CA GLU A 42 8.277 -7.971 3.192 1.00 0.00 C ATOM 650 C GLU A 42 7.405 -9.222 3.226 1.00 0.00 C ATOM 651 O GLU A 42 6.254 -9.188 2.806 1.00 0.00 O ATOM 652 CB GLU A 42 7.889 -7.035 4.336 1.00 0.00 C ATOM 653 CG GLU A 42 9.068 -6.593 5.183 1.00 0.00 C ATOM 654 CD GLU A 42 8.743 -6.561 6.663 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.583 -7.646 7.260 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.646 -5.450 7.226 1.00 0.00 O ATOM 0 H GLU A 42 7.332 -6.672 1.842 1.00 0.00 H new ATOM 0 HA GLU A 42 9.318 -8.270 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.398 -6.154 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.161 -7.536 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.906 -7.269 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.389 -5.601 4.864 1.00 0.00 H new ATOM 663 N PRO A 43 7.942 -10.349 3.728 1.00 0.00 N ATOM 664 CA PRO A 43 7.209 -11.608 3.792 1.00 0.00 C ATOM 665 C PRO A 43 6.374 -11.738 5.055 1.00 0.00 C ATOM 666 O PRO A 43 6.627 -11.066 6.056 1.00 0.00 O ATOM 667 CB PRO A 43 8.317 -12.654 3.759 1.00 0.00 C ATOM 668 CG PRO A 43 9.517 -11.984 4.357 1.00 0.00 C ATOM 669 CD PRO A 43 9.307 -10.489 4.255 1.00 0.00 C ATOM 0 HA PRO A 43 6.488 -11.705 2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.037 -13.540 4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.518 -12.981 2.739 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.643 -12.282 5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.423 -12.280 3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.410 -10.006 5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.039 -10.029 3.591 1.00 0.00 H new ATOM 677 N ILE A 44 5.359 -12.590 4.988 1.00 0.00 N ATOM 678 CA ILE A 44 4.442 -12.782 6.101 1.00 0.00 C ATOM 679 C ILE A 44 4.329 -14.255 6.483 1.00 0.00 C ATOM 680 O ILE A 44 4.984 -14.716 7.418 1.00 0.00 O ATOM 681 CB ILE A 44 3.042 -12.240 5.753 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.160 -11.040 4.803 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.285 -11.862 7.018 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.830 -9.830 5.424 1.00 0.00 C ATOM 0 H ILE A 44 5.150 -13.161 4.169 1.00 0.00 H new ATOM 0 HA ILE A 44 4.846 -12.230 6.950 1.00 0.00 H new ATOM 0 HB ILE A 44 2.478 -13.024 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.723 -11.342 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.163 -10.758 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.299 -11.481 6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.175 -12.741 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.838 -11.092 7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.876 -9.024 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.256 -9.501 6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.840 -10.094 5.737 1.00 0.00 H new ATOM 696 N ALA A 45 3.478 -14.982 5.766 1.00 0.00 N ATOM 697 CA ALA A 45 3.270 -16.403 6.027 1.00 0.00 C ATOM 698 C ALA A 45 4.518 -17.213 5.687 1.00 0.00 C ATOM 699 O ALA A 45 5.640 -16.717 5.790 1.00 0.00 O ATOM 700 CB ALA A 45 2.069 -16.910 5.243 1.00 0.00 C ATOM 0 H ALA A 45 2.920 -14.610 4.998 1.00 0.00 H new ATOM 0 HA ALA A 45 3.072 -16.530 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.924 -17.971 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.179 -16.358 5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.243 -16.765 4.177 1.00 0.00 H new ATOM 706 N PHE A 46 4.317 -18.459 5.266 1.00 0.00 N ATOM 707 CA PHE A 46 5.428 -19.330 4.906 1.00 0.00 C ATOM 708 C PHE A 46 6.074 -18.867 3.606 1.00 0.00 C ATOM 709 O PHE A 46 7.284 -18.995 3.422 1.00 0.00 O ATOM 710 CB PHE A 46 4.944 -20.775 4.761 1.00 0.00 C ATOM 711 CG PHE A 46 3.839 -20.947 3.757 1.00 0.00 C ATOM 712 CD1 PHE A 46 2.513 -20.807 4.134 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.127 -21.257 2.437 1.00 0.00 C ATOM 714 CE1 PHE A 46 1.495 -20.966 3.212 1.00 0.00 C ATOM 715 CE2 PHE A 46 3.114 -21.416 1.511 1.00 0.00 C ATOM 716 CZ PHE A 46 1.797 -21.271 1.900 1.00 0.00 C ATOM 0 H PHE A 46 3.396 -18.886 5.166 1.00 0.00 H new ATOM 0 HA PHE A 46 6.171 -19.282 5.702 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.786 -21.403 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.599 -21.132 5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.272 -20.571 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.155 -21.376 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.465 -20.852 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.352 -21.653 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.004 -21.396 1.178 1.00 0.00 H new ATOM 726 N GLY A 47 5.258 -18.313 2.718 1.00 0.00 N ATOM 727 CA GLY A 47 5.762 -17.833 1.445 1.00 0.00 C ATOM 728 C GLY A 47 4.942 -16.686 0.888 1.00 0.00 C ATOM 729 O GLY A 47 5.151 -16.264 -0.250 1.00 0.00 O ATOM 0 H GLY A 47 4.255 -18.187 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.796 -17.510 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.766 -18.654 0.728 1.00 0.00 H new ATOM 733 N LEU A 48 4.004 -16.180 1.685 1.00 0.00 N ATOM 734 CA LEU A 48 3.156 -15.072 1.257 1.00 0.00 C ATOM 735 C LEU A 48 3.779 -13.737 1.644 1.00 0.00 C ATOM 736 O LEU A 48 3.701 -13.313 2.798 1.00 0.00 O ATOM 737 CB LEU A 48 1.752 -15.197 1.863 1.00 0.00 C ATOM 738 CG LEU A 48 1.168 -16.617 1.908 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.345 -16.568 2.073 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.538 -17.402 0.659 1.00 0.00 C ATOM 0 H LEU A 48 3.813 -16.519 2.628 1.00 0.00 H new ATOM 0 HA LEU A 48 3.070 -15.113 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.779 -14.803 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.073 -14.563 1.293 1.00 0.00 H new ATOM 0 HG LEU A 48 1.598 -17.128 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.741 -17.583 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.593 -16.054 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.785 -16.031 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.111 -18.403 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.146 -16.892 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.623 -17.474 0.583 1.00 0.00 H new ATOM 752 N VAL A 49 4.394 -13.078 0.668 1.00 0.00 N ATOM 753 CA VAL A 49 5.065 -11.805 0.902 1.00 0.00 C ATOM 754 C VAL A 49 4.146 -10.618 0.629 1.00 0.00 C ATOM 755 O VAL A 49 3.570 -10.496 -0.453 1.00 0.00 O ATOM 756 CB VAL A 49 6.329 -11.677 0.024 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.949 -10.291 0.155 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.338 -12.755 0.386 1.00 0.00 C ATOM 0 H VAL A 49 4.442 -13.406 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 49 5.348 -11.791 1.955 1.00 0.00 H new ATOM 0 HB VAL A 49 6.035 -11.814 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.837 -10.229 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.227 -9.538 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.227 -10.113 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.223 -12.651 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.622 -12.651 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.894 -13.737 0.227 1.00 0.00 H new ATOM 768 N ALA A 50 4.073 -9.710 1.598 1.00 0.00 N ATOM 769 CA ALA A 50 3.264 -8.506 1.474 1.00 0.00 C ATOM 770 C ALA A 50 4.108 -7.333 0.997 1.00 0.00 C ATOM 771 O ALA A 50 5.326 -7.315 1.177 1.00 0.00 O ATOM 772 CB ALA A 50 2.623 -8.154 2.805 1.00 0.00 C ATOM 0 H ALA A 50 4.570 -9.789 2.485 1.00 0.00 H new ATOM 0 HA ALA A 50 2.484 -8.705 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.022 -7.251 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.985 -8.976 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.401 -7.982 3.549 1.00 0.00 H new ATOM 778 N LEU A 51 3.449 -6.352 0.397 1.00 0.00 N ATOM 779 CA LEU A 51 4.130 -5.165 -0.094 1.00 0.00 C ATOM 780 C LEU A 51 3.658 -3.930 0.661 1.00 0.00 C ATOM 781 O LEU A 51 2.474 -3.593 0.646 1.00 0.00 O ATOM 782 CB LEU A 51 3.880 -4.997 -1.595 1.00 0.00 C ATOM 783 CG LEU A 51 4.787 -5.838 -2.500 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.578 -7.321 -2.235 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.529 -5.514 -3.963 1.00 0.00 C ATOM 0 H LEU A 51 2.441 -6.356 0.239 1.00 0.00 H new ATOM 0 HA LEU A 51 5.201 -5.284 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.842 -5.254 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.007 -3.946 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 51 5.824 -5.592 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.230 -7.902 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.815 -7.542 -1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.539 -7.583 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.182 -6.121 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.489 -5.731 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.731 -4.458 -4.143 1.00 0.00 H new ATOM 797 N ASN A 52 4.594 -3.261 1.322 1.00 0.00 N ATOM 798 CA ASN A 52 4.281 -2.064 2.088 1.00 0.00 C ATOM 799 C ASN A 52 4.407 -0.835 1.206 1.00 0.00 C ATOM 800 O ASN A 52 5.477 -0.239 1.088 1.00 0.00 O ATOM 801 CB ASN A 52 5.218 -1.949 3.291 1.00 0.00 C ATOM 802 CG ASN A 52 5.497 -3.292 3.941 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.587 -3.528 4.459 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.508 -4.180 3.920 1.00 0.00 N ATOM 0 H ASN A 52 5.578 -3.529 1.342 1.00 0.00 H new ATOM 0 HA ASN A 52 3.255 -2.134 2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.159 -1.500 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.778 -1.277 4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.638 -5.098 4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.619 -3.943 3.479 1.00 0.00 H new ATOM 811 N VAL A 53 3.297 -0.469 0.585 1.00 0.00 N ATOM 812 CA VAL A 53 3.264 0.660 -0.329 1.00 0.00 C ATOM 813 C VAL A 53 2.997 1.965 0.405 1.00 0.00 C ATOM 814 O VAL A 53 1.854 2.288 0.728 1.00 0.00 O ATOM 815 CB VAL A 53 2.185 0.471 -1.410 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.336 1.516 -2.505 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.245 -0.934 -1.988 1.00 0.00 C ATOM 0 H VAL A 53 2.401 -0.942 0.699 1.00 0.00 H new ATOM 0 HA VAL A 53 4.246 0.708 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 53 1.207 0.604 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.564 1.366 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.233 2.512 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.319 1.420 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.474 -1.047 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.225 -1.102 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.079 -1.662 -1.194 1.00 0.00 H new ATOM 827 N MET A 54 4.055 2.738 0.608 1.00 0.00 N ATOM 828 CA MET A 54 3.939 4.033 1.261 1.00 0.00 C ATOM 829 C MET A 54 3.556 5.093 0.241 1.00 0.00 C ATOM 830 O MET A 54 3.586 4.840 -0.961 1.00 0.00 O ATOM 831 CB MET A 54 5.257 4.411 1.940 1.00 0.00 C ATOM 832 CG MET A 54 5.605 3.530 3.127 1.00 0.00 C ATOM 833 SD MET A 54 7.248 2.798 2.997 1.00 0.00 S ATOM 834 CE MET A 54 7.131 1.484 4.209 1.00 0.00 C ATOM 0 H MET A 54 5.004 2.490 0.329 1.00 0.00 H new ATOM 0 HA MET A 54 3.162 3.972 2.023 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.062 4.354 1.208 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.201 5.448 2.272 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.547 4.121 4.041 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.864 2.735 3.213 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.074 0.938 4.246 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.921 1.911 5.190 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.327 0.802 3.930 1.00 0.00 H new ATOM 844 N VAL A 55 3.154 6.262 0.723 1.00 0.00 N ATOM 845 CA VAL A 55 2.737 7.339 -0.165 1.00 0.00 C ATOM 846 C VAL A 55 3.266 8.690 0.310 1.00 0.00 C ATOM 847 O VAL A 55 3.101 9.065 1.472 1.00 0.00 O ATOM 848 CB VAL A 55 1.197 7.393 -0.295 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.638 6.008 -0.577 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.556 7.980 0.954 1.00 0.00 C ATOM 0 H VAL A 55 3.108 6.488 1.717 1.00 0.00 H new ATOM 0 HA VAL A 55 3.163 7.127 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 55 0.956 8.046 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.447 6.065 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.059 5.629 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.901 5.336 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.527 8.004 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.809 7.364 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.926 8.993 1.111 1.00 0.00 H new ATOM 860 N VAL A 56 3.948 9.397 -0.584 1.00 0.00 N ATOM 861 CA VAL A 56 4.492 10.710 -0.260 1.00 0.00 C ATOM 862 C VAL A 56 3.580 11.816 -0.784 1.00 0.00 C ATOM 863 O VAL A 56 3.513 12.062 -1.989 1.00 0.00 O ATOM 864 CB VAL A 56 5.914 10.896 -0.825 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.010 10.327 -2.230 1.00 0.00 C ATOM 866 CG2 VAL A 56 6.327 12.361 -0.802 1.00 0.00 C ATOM 0 H VAL A 56 4.137 9.084 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 56 4.548 10.775 0.827 1.00 0.00 H new ATOM 0 HB VAL A 56 6.605 10.347 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.021 10.468 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.775 9.263 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.302 10.841 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.334 12.461 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.633 12.944 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.310 12.728 0.224 1.00 0.00 H new ATOM 876 N VAL A 57 2.873 12.472 0.128 1.00 0.00 N ATOM 877 CA VAL A 57 1.966 13.551 -0.241 1.00 0.00 C ATOM 878 C VAL A 57 2.303 14.825 0.530 1.00 0.00 C ATOM 879 O VAL A 57 3.065 14.790 1.496 1.00 0.00 O ATOM 880 CB VAL A 57 0.491 13.164 0.013 1.00 0.00 C ATOM 881 CG1 VAL A 57 0.263 11.694 -0.303 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.082 13.471 1.446 1.00 0.00 C ATOM 0 H VAL A 57 2.910 12.276 1.128 1.00 0.00 H new ATOM 0 HA VAL A 57 2.094 13.732 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.133 13.763 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.781 11.440 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.503 11.505 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.903 11.082 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.960 13.188 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.713 12.907 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.200 14.538 1.637 1.00 0.00 H new ATOM 892 N GLY A 58 1.740 15.946 0.094 1.00 0.00 N ATOM 893 CA GLY A 58 1.998 17.207 0.765 1.00 0.00 C ATOM 894 C GLY A 58 1.218 18.359 0.166 1.00 0.00 C ATOM 895 O GLY A 58 0.357 18.943 0.824 1.00 0.00 O ATOM 0 H GLY A 58 1.113 16.005 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.743 17.111 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.064 17.430 0.714 1.00 0.00 H new ATOM 899 N ASP A 59 1.521 18.690 -1.086 1.00 0.00 N ATOM 900 CA ASP A 59 0.839 19.780 -1.772 1.00 0.00 C ATOM 901 C ASP A 59 -0.510 19.317 -2.303 1.00 0.00 C ATOM 902 O ASP A 59 -1.293 20.113 -2.823 1.00 0.00 O ATOM 903 CB ASP A 59 1.701 20.308 -2.919 1.00 0.00 C ATOM 904 CG ASP A 59 1.261 21.680 -3.389 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.287 22.624 -2.572 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.888 21.811 -4.575 1.00 0.00 O ATOM 0 H ASP A 59 2.233 18.219 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 59 0.673 20.585 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.741 20.354 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.657 19.609 -3.754 1.00 0.00 H new ATOM 911 N ALA A 60 -0.772 18.024 -2.167 1.00 0.00 N ATOM 912 CA ALA A 60 -2.028 17.441 -2.615 1.00 0.00 C ATOM 913 C ALA A 60 -3.198 17.941 -1.768 1.00 0.00 C ATOM 914 O ALA A 60 -3.188 19.073 -1.286 1.00 0.00 O ATOM 915 CB ALA A 60 -1.940 15.924 -2.569 1.00 0.00 C ATOM 0 H ALA A 60 -0.126 17.356 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.207 17.753 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.884 15.494 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.134 15.586 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.739 15.602 -1.547 1.00 0.00 H new ATOM 921 N GLU A 61 -4.201 17.087 -1.583 1.00 0.00 N ATOM 922 CA GLU A 61 -5.372 17.444 -0.794 1.00 0.00 C ATOM 923 C GLU A 61 -5.934 16.222 -0.078 1.00 0.00 C ATOM 924 O GLU A 61 -5.260 15.200 0.047 1.00 0.00 O ATOM 925 CB GLU A 61 -6.451 18.060 -1.688 1.00 0.00 C ATOM 926 CG GLU A 61 -6.275 17.752 -3.167 1.00 0.00 C ATOM 927 CD GLU A 61 -7.445 18.228 -4.007 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.478 17.526 -4.039 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.329 19.303 -4.631 1.00 0.00 O ATOM 0 H GLU A 61 -4.225 16.143 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.065 18.177 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.427 17.698 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.450 19.141 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.360 18.223 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.152 16.677 -3.298 1.00 0.00 H new ATOM 936 N GLY A 62 -7.179 16.330 0.372 1.00 0.00 N ATOM 937 CA GLY A 62 -7.820 15.214 1.036 1.00 0.00 C ATOM 938 C GLY A 62 -8.360 14.213 0.038 1.00 0.00 C ATOM 939 O GLY A 62 -9.151 13.337 0.386 1.00 0.00 O ATOM 0 H GLY A 62 -7.753 17.169 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.105 14.722 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.633 15.580 1.663 1.00 0.00 H new ATOM 943 N GLY A 63 -7.921 14.349 -1.211 1.00 0.00 N ATOM 944 CA GLY A 63 -8.361 13.450 -2.260 1.00 0.00 C ATOM 945 C GLY A 63 -7.805 12.051 -2.094 1.00 0.00 C ATOM 946 O GLY A 63 -8.150 11.146 -2.854 1.00 0.00 O ATOM 0 H GLY A 63 -7.266 15.069 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.450 13.407 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.054 13.847 -3.227 1.00 0.00 H new ATOM 950 N THR A 64 -6.947 11.869 -1.095 1.00 0.00 N ATOM 951 CA THR A 64 -6.358 10.562 -0.828 1.00 0.00 C ATOM 952 C THR A 64 -7.386 9.642 -0.186 1.00 0.00 C ATOM 953 O THR A 64 -7.137 8.453 0.007 1.00 0.00 O ATOM 954 CB THR A 64 -5.132 10.692 0.074 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.516 10.771 1.436 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.284 11.905 -0.237 1.00 0.00 C ATOM 0 H THR A 64 -6.645 12.607 -0.459 1.00 0.00 H new ATOM 0 HA THR A 64 -6.041 10.131 -1.777 1.00 0.00 H new ATOM 0 HB THR A 64 -4.539 9.798 -0.117 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.717 10.852 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.431 11.936 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.929 11.846 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.881 12.808 -0.110 1.00 0.00 H new ATOM 964 N GLU A 65 -8.541 10.210 0.149 1.00 0.00 N ATOM 965 CA GLU A 65 -9.638 9.443 0.724 1.00 0.00 C ATOM 966 C GLU A 65 -10.005 8.293 -0.196 1.00 0.00 C ATOM 967 O GLU A 65 -10.564 7.282 0.231 1.00 0.00 O ATOM 968 CB GLU A 65 -10.854 10.340 0.926 1.00 0.00 C ATOM 969 CG GLU A 65 -11.262 11.104 -0.323 1.00 0.00 C ATOM 970 CD GLU A 65 -12.530 11.912 -0.125 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.561 11.316 0.251 1.00 0.00 O ATOM 972 OE2 GLU A 65 -12.492 13.141 -0.348 1.00 0.00 O ATOM 0 H GLU A 65 -8.740 11.203 0.031 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.320 9.046 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.694 9.730 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.641 11.052 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.452 11.772 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.408 10.401 -1.143 1.00 0.00 H new ATOM 979 N ALA A 66 -9.667 8.464 -1.465 1.00 0.00 N ATOM 980 CA ALA A 66 -9.949 7.464 -2.484 1.00 0.00 C ATOM 981 C ALA A 66 -9.320 6.126 -2.119 1.00 0.00 C ATOM 982 O ALA A 66 -9.805 5.072 -2.525 1.00 0.00 O ATOM 983 CB ALA A 66 -9.441 7.933 -3.838 1.00 0.00 C ATOM 0 H ALA A 66 -9.192 9.295 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.029 7.330 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.659 7.175 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.935 8.866 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.364 8.095 -3.787 1.00 0.00 H new ATOM 989 N ALA A 67 -8.269 6.172 -1.307 1.00 0.00 N ATOM 990 CA ALA A 67 -7.591 4.961 -0.871 1.00 0.00 C ATOM 991 C ALA A 67 -8.553 4.073 -0.091 1.00 0.00 C ATOM 992 O ALA A 67 -8.786 2.922 -0.459 1.00 0.00 O ATOM 993 CB ALA A 67 -6.376 5.310 -0.022 1.00 0.00 C ATOM 0 H ALA A 67 -7.870 7.035 -0.939 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.249 4.414 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.879 4.394 0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.683 5.913 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.695 5.874 0.855 1.00 0.00 H new ATOM 999 N GLU A 68 -9.143 4.634 0.959 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.116 3.909 1.764 1.00 0.00 C ATOM 1001 C GLU A 68 -11.294 3.466 0.903 1.00 0.00 C ATOM 1002 O GLU A 68 -11.878 2.406 1.127 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.610 4.784 2.916 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.556 5.039 3.983 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.092 4.854 5.388 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.673 3.785 5.666 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.929 5.779 6.212 1.00 0.00 O ATOM 0 H GLU A 68 -8.964 5.588 1.271 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.631 3.024 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.948 5.740 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.475 4.308 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.715 4.363 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.173 6.054 3.875 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.651 4.300 -0.072 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.744 3.990 -0.984 1.00 0.00 C ATOM 1016 C GLU A 69 -12.442 2.715 -1.760 1.00 0.00 C ATOM 1017 O GLU A 69 -13.265 1.802 -1.827 1.00 0.00 O ATOM 1018 CB GLU A 69 -12.977 5.151 -1.952 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.288 5.885 -1.719 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.435 7.112 -2.597 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -13.411 7.771 -2.873 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.574 7.413 -3.010 1.00 0.00 O ATOM 0 H GLU A 69 -11.197 5.196 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.649 3.837 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.153 5.859 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.960 4.770 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.119 5.206 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.352 6.182 -0.672 1.00 0.00 H new ATOM 1029 N SER A 70 -11.255 2.673 -2.358 1.00 0.00 N ATOM 1030 CA SER A 70 -10.819 1.510 -3.115 1.00 0.00 C ATOM 1031 C SER A 70 -10.682 0.300 -2.203 1.00 0.00 C ATOM 1032 O SER A 70 -10.728 -0.838 -2.661 1.00 0.00 O ATOM 1033 CB SER A 70 -9.485 1.795 -3.808 1.00 0.00 C ATOM 1034 OG SER A 70 -8.393 1.488 -2.959 1.00 0.00 O ATOM 0 H SER A 70 -10.578 3.435 -2.331 1.00 0.00 H new ATOM 0 HA SER A 70 -11.572 1.293 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.414 1.207 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.440 2.845 -4.099 1.00 0.00 H new ATOM 0 HG SER A 70 -8.498 1.960 -2.107 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.542 0.558 -0.906 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.395 -0.508 0.078 1.00 0.00 C ATOM 1042 C LEU A 71 -11.717 -1.242 0.274 1.00 0.00 C ATOM 1043 O LEU A 71 -11.738 -2.422 0.623 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.917 0.070 1.412 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.512 -0.357 1.852 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.440 -1.865 2.036 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.471 0.112 0.848 1.00 0.00 C ATOM 0 H LEU A 71 -10.527 1.499 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.654 -1.217 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.943 1.158 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.625 -0.220 2.188 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.298 0.113 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.434 -2.146 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.156 -2.173 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.678 -2.358 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.480 -0.201 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.683 -0.325 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.502 1.199 0.773 1.00 0.00 H new ATOM 1059 N SER A 72 -12.816 -0.534 0.037 1.00 0.00 N ATOM 1060 CA SER A 72 -14.147 -1.116 0.168 1.00 0.00 C ATOM 1061 C SER A 72 -14.357 -2.223 -0.862 1.00 0.00 C ATOM 1062 O SER A 72 -15.292 -3.016 -0.757 1.00 0.00 O ATOM 1063 CB SER A 72 -15.214 -0.032 0.002 1.00 0.00 C ATOM 1064 OG SER A 72 -16.027 -0.281 -1.132 1.00 0.00 O ATOM 0 H SER A 72 -12.811 0.446 -0.247 1.00 0.00 H new ATOM 0 HA SER A 72 -14.235 -1.552 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.836 0.010 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.734 0.942 -0.098 1.00 0.00 H new ATOM 0 HG SER A 72 -16.701 0.426 -1.213 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.472 -2.268 -1.854 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.557 -3.278 -2.893 1.00 0.00 C ATOM 1072 C GLY A 73 -12.198 -3.608 -3.472 1.00 0.00 C ATOM 1073 O GLY A 73 -12.084 -4.032 -4.622 1.00 0.00 O ATOM 0 H GLY A 73 -12.693 -1.618 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.007 -4.183 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.215 -2.927 -3.688 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.166 -3.403 -2.663 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.791 -3.656 -3.077 1.00 0.00 C ATOM 1079 C ILE A 74 -9.510 -5.159 -3.149 1.00 0.00 C ATOM 1080 O ILE A 74 -10.438 -5.966 -3.179 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.800 -2.970 -2.102 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.492 -2.618 -2.815 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.534 -3.842 -0.882 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.826 -1.372 -2.273 1.00 0.00 C ATOM 0 H ILE A 74 -11.257 -3.059 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.653 -3.235 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.260 -2.044 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.802 -3.457 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.692 -2.481 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.836 -3.334 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.470 -4.025 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.106 -4.792 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.905 -1.182 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.498 -0.522 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.594 -1.513 -1.217 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.229 -5.520 -3.183 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.815 -6.917 -3.233 1.00 0.00 C ATOM 1098 C GLU A 75 -8.480 -7.722 -2.117 1.00 0.00 C ATOM 1099 O GLU A 75 -7.955 -7.821 -1.007 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.289 -6.994 -3.112 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.715 -6.031 -2.087 1.00 0.00 C ATOM 1102 CD GLU A 75 -4.717 -5.060 -2.690 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.300 -5.277 -3.848 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.351 -4.084 -2.003 1.00 0.00 O ATOM 0 H GLU A 75 -7.455 -4.856 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.127 -7.347 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.004 -8.011 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.844 -6.785 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.528 -5.470 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.229 -6.599 -1.293 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.652 -8.280 -2.421 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.398 -9.047 -1.438 1.00 0.00 C ATOM 1113 C GLY A 76 -9.621 -10.232 -0.904 1.00 0.00 C ATOM 1114 O GLY A 76 -9.872 -10.695 0.208 1.00 0.00 O ATOM 0 H GLY A 76 -10.098 -8.213 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.673 -8.396 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.326 -9.400 -1.888 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.671 -10.716 -1.694 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.845 -11.843 -1.287 1.00 0.00 C ATOM 1120 C VAL A 77 -6.645 -11.356 -0.495 1.00 0.00 C ATOM 1121 O VAL A 77 -6.230 -11.980 0.480 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.360 -12.654 -2.506 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.176 -11.979 -3.187 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -7.005 -14.074 -2.090 1.00 0.00 C ATOM 0 H VAL A 77 -8.454 -10.345 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.458 -12.492 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.175 -12.696 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.859 -12.576 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.470 -10.986 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.351 -11.891 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.664 -14.634 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.212 -14.047 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.884 -14.560 -1.667 1.00 0.00 H new ATOM 1134 N SER A 78 -6.135 -10.204 -0.894 1.00 0.00 N ATOM 1135 CA SER A 78 -4.980 -9.608 -0.248 1.00 0.00 C ATOM 1136 C SER A 78 -5.412 -8.590 0.798 1.00 0.00 C ATOM 1137 O SER A 78 -5.572 -7.408 0.496 1.00 0.00 O ATOM 1138 CB SER A 78 -4.085 -8.932 -1.296 1.00 0.00 C ATOM 1139 OG SER A 78 -4.422 -9.362 -2.604 1.00 0.00 O ATOM 0 H SER A 78 -6.508 -9.658 -1.671 1.00 0.00 H new ATOM 0 HA SER A 78 -4.418 -10.398 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.191 -7.849 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.040 -9.164 -1.091 1.00 0.00 H new ATOM 0 HG SER A 78 -3.840 -8.917 -3.255 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.593 -9.045 2.033 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.962 -8.136 3.109 1.00 0.00 C ATOM 1147 C ASN A 79 -4.747 -7.337 3.504 1.00 0.00 C ATOM 1148 O ASN A 79 -3.666 -7.885 3.726 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.526 -8.873 4.323 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.340 -8.109 5.638 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.061 -8.719 6.670 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -6.504 -6.776 5.627 1.00 0.00 N ATOM 0 H ASN A 79 -5.492 -10.021 2.310 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.751 -7.477 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.589 -9.057 4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.042 -9.846 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.398 -6.242 6.489 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.735 -6.298 4.756 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.928 -6.042 3.571 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.838 -5.146 3.833 1.00 0.00 C ATOM 1161 C ILE A 80 -3.806 -4.682 5.277 1.00 0.00 C ATOM 1162 O ILE A 80 -4.844 -4.513 5.915 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.959 -3.913 2.933 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.229 -4.326 1.486 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.710 -3.070 3.031 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.674 -4.164 1.072 1.00 0.00 C ATOM 0 H ILE A 80 -5.831 -5.584 3.446 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.918 -5.694 3.629 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.804 -3.314 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.601 -3.731 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.936 -5.367 1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.809 -2.197 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.570 -2.746 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.848 -3.658 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.792 -4.476 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.307 -4.781 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.966 -3.119 1.173 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.600 -4.422 5.762 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.417 -3.844 7.072 1.00 0.00 C ATOM 1180 C GLU A 81 -2.523 -2.343 6.907 1.00 0.00 C ATOM 1181 O GLU A 81 -1.526 -1.619 6.934 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.058 -4.230 7.662 1.00 0.00 C ATOM 1183 CG GLU A 81 -0.897 -3.842 9.123 1.00 0.00 C ATOM 1184 CD GLU A 81 0.303 -4.502 9.773 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.361 -5.750 9.785 1.00 0.00 O ATOM 1186 OE2 GLU A 81 1.186 -3.771 10.269 1.00 0.00 O ATOM 0 H GLU A 81 -1.732 -4.606 5.258 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.174 -4.215 7.763 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.921 -5.307 7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.270 -3.754 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.797 -2.759 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.799 -4.117 9.670 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.739 -1.913 6.604 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.021 -0.524 6.309 1.00 0.00 C ATOM 1195 C VAL A 82 -4.154 0.284 7.594 1.00 0.00 C ATOM 1196 O VAL A 82 -5.202 0.860 7.887 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.315 -0.412 5.474 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.587 1.039 5.102 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.222 -1.273 4.227 1.00 0.00 C ATOM 0 H VAL A 82 -4.556 -2.522 6.557 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.190 -0.118 5.733 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.146 -0.774 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.503 1.098 4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.700 1.632 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.754 1.427 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.143 -1.181 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.380 -0.943 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.076 -2.314 4.514 1.00 0.00 H new ATOM 1209 N THR A 83 -3.092 0.264 8.389 1.00 0.00 N ATOM 1210 CA THR A 83 -3.075 0.978 9.653 1.00 0.00 C ATOM 1211 C THR A 83 -1.800 1.800 9.825 1.00 0.00 C ATOM 1212 O THR A 83 -1.624 2.461 10.849 1.00 0.00 O ATOM 1213 CB THR A 83 -3.211 -0.011 10.813 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.086 -1.069 10.467 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.733 0.622 12.084 1.00 0.00 C ATOM 0 H THR A 83 -2.231 -0.241 8.178 1.00 0.00 H new ATOM 0 HA THR A 83 -3.919 1.667 9.653 1.00 0.00 H new ATOM 0 HB THR A 83 -2.202 -0.377 11.000 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.159 -1.692 11.220 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.805 -0.135 12.865 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.052 1.410 12.404 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.719 1.048 11.900 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.869 1.698 8.875 1.00 0.00 N ATOM 1224 CA ASP A 84 0.384 2.425 8.989 1.00 0.00 C ATOM 1225 C ASP A 84 0.243 3.845 8.454 1.00 0.00 C ATOM 1226 O ASP A 84 -0.150 4.049 7.306 1.00 0.00 O ATOM 1227 CB ASP A 84 1.494 1.679 8.254 1.00 0.00 C ATOM 1228 CG ASP A 84 1.897 0.397 8.957 1.00 0.00 C ATOM 1229 OD1 ASP A 84 1.083 -0.133 9.743 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.028 -0.078 8.722 1.00 0.00 O ATOM 0 H ASP A 84 -0.961 1.128 8.034 1.00 0.00 H new ATOM 0 HA ASP A 84 0.647 2.491 10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.162 1.446 7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.365 2.328 8.162 1.00 0.00 H new ATOM 1235 N VAL A 85 0.571 4.824 9.292 1.00 0.00 N ATOM 1236 CA VAL A 85 0.464 6.222 8.904 1.00 0.00 C ATOM 1237 C VAL A 85 1.519 7.082 9.598 1.00 0.00 C ATOM 1238 O VAL A 85 1.744 6.968 10.804 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.944 6.775 9.209 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -1.121 7.048 10.696 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.214 8.030 8.392 1.00 0.00 C ATOM 0 H VAL A 85 0.912 4.673 10.241 1.00 0.00 H new ATOM 0 HA VAL A 85 0.638 6.268 7.829 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.672 6.015 8.924 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.123 7.437 10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.984 6.122 11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.383 7.781 11.022 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.211 8.405 8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.474 8.791 8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.150 7.794 7.330 1.00 0.00 H new ATOM 1251 N ARG A 86 2.128 7.977 8.828 1.00 0.00 N ATOM 1252 CA ARG A 86 3.173 8.849 9.331 1.00 0.00 C ATOM 1253 C ARG A 86 2.954 10.280 8.870 1.00 0.00 C ATOM 1254 O ARG A 86 3.443 10.695 7.820 1.00 0.00 O ATOM 1255 CB ARG A 86 4.517 8.360 8.847 1.00 0.00 C ATOM 1256 CG ARG A 86 4.717 6.877 9.052 1.00 0.00 C ATOM 1257 CD ARG A 86 4.221 6.060 7.871 1.00 0.00 C ATOM 1258 NE ARG A 86 4.034 4.655 8.222 1.00 0.00 N ATOM 1259 CZ ARG A 86 5.032 3.782 8.330 1.00 0.00 C ATOM 1260 NH1 ARG A 86 6.281 4.167 8.108 1.00 0.00 N ATOM 1261 NH2 ARG A 86 4.781 2.522 8.657 1.00 0.00 N ATOM 0 H ARG A 86 1.909 8.115 7.841 1.00 0.00 H new ATOM 0 HA ARG A 86 3.144 8.830 10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.621 8.591 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.304 8.902 9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.776 6.674 9.212 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.192 6.563 9.954 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.278 6.474 7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.934 6.138 7.051 1.00 0.00 H new ATOM 0 HE ARG A 86 3.085 4.324 8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.479 5.135 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.044 3.495 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.821 2.220 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.547 1.854 8.739 1.00 0.00 H new ATOM 1275 N ARG A 87 2.179 11.011 9.649 1.00 0.00 N ATOM 1276 CA ARG A 87 1.865 12.402 9.341 1.00 0.00 C ATOM 1277 C ARG A 87 2.980 13.337 9.801 1.00 0.00 C ATOM 1278 O ARG A 87 2.895 13.933 10.876 1.00 0.00 O ATOM 1279 CB ARG A 87 0.542 12.802 9.997 1.00 0.00 C ATOM 1280 CG ARG A 87 -0.604 11.855 9.678 1.00 0.00 C ATOM 1281 CD ARG A 87 -1.747 12.573 8.979 1.00 0.00 C ATOM 1282 NE ARG A 87 -3.047 12.026 9.354 1.00 0.00 N ATOM 1283 CZ ARG A 87 -3.632 12.250 10.528 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -3.035 13.011 11.435 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -4.815 11.714 10.794 1.00 0.00 N ATOM 0 H ARG A 87 1.750 10.665 10.507 1.00 0.00 H new ATOM 0 HA ARG A 87 1.772 12.493 8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.679 12.843 11.078 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.274 13.807 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.242 11.045 9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.968 11.401 10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.715 13.634 9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.618 12.494 7.899 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.535 11.439 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.125 13.426 11.234 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.485 13.181 12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.278 11.129 10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.262 11.887 11.694 1.00 0.00 H new ATOM 1299 N LEU A 88 4.027 13.463 8.988 1.00 0.00 N ATOM 1300 CA LEU A 88 5.141 14.343 9.323 1.00 0.00 C ATOM 1301 C LEU A 88 4.827 15.779 8.932 1.00 0.00 C ATOM 1302 O LEU A 88 5.099 16.195 7.805 1.00 0.00 O ATOM 1303 CB LEU A 88 6.432 13.905 8.629 1.00 0.00 C ATOM 1304 CG LEU A 88 6.355 12.590 7.858 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.589 12.418 6.989 1.00 0.00 C ATOM 1306 CD2 LEU A 88 6.200 11.424 8.819 1.00 0.00 C ATOM 0 H LEU A 88 4.126 12.971 8.100 1.00 0.00 H new ATOM 0 HA LEU A 88 5.286 14.281 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.737 14.692 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.216 13.819 9.381 1.00 0.00 H new ATOM 0 HG LEU A 88 5.481 12.612 7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.522 11.476 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.653 13.244 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.479 12.411 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.146 10.493 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.056 11.392 9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.286 11.550 9.399 1.00 0.00 H new ATOM 1318 N MET A 89 4.241 16.525 9.861 1.00 0.00 N ATOM 1319 CA MET A 89 3.888 17.917 9.612 1.00 0.00 C ATOM 1320 C MET A 89 4.993 18.853 10.091 1.00 0.00 C ATOM 1321 O MET A 89 5.808 18.421 10.934 1.00 0.00 O ATOM 1322 CB MET A 89 2.569 18.264 10.307 1.00 0.00 C ATOM 1323 CG MET A 89 2.538 17.887 11.780 1.00 0.00 C ATOM 1324 SD MET A 89 1.816 19.177 12.812 1.00 0.00 S ATOM 1325 CE MET A 89 2.958 20.524 12.517 1.00 0.00 C ATOM 1326 OXT MET A 89 5.034 20.009 9.620 1.00 0.00 O ATOM 0 H MET A 89 4.000 16.189 10.794 1.00 0.00 H new ATOM 0 HA MET A 89 3.768 18.048 8.537 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.388 19.335 10.211 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.753 17.756 9.793 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.967 16.967 11.904 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.553 17.681 12.120 1.00 0.00 H new ATOM 0 HE1 MET A 89 2.926 21.219 13.356 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.968 20.128 12.412 1.00 0.00 H new ATOM 0 HE3 MET A 89 2.676 21.046 11.603 1.00 0.00 H new TER 1336 MET A 89