USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 426 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 22 SER OG : rot 76:sc= 1.05 USER MOD Set 1.2: A 25 GLN : amide:sc= 0.358 K(o=1.4,f=-5.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 45:sc= 0.527 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -100:sc= -10.1! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -158:sc= -2.07 (180deg=-2.41) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc=-0.00541 (180deg=-0.0861) USER MOD Single : A 33 THR OG1 : rot -33:sc=-0.00553 USER MOD Single : A 34 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.8!) USER MOD Single : A 35 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.25) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -0.406 X(o=-0.41,f=-0.45) USER MOD Single : A 57 MET CE :methyl -124:sc= -0.444 (180deg=-1.69!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0471 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.659 8.337 -14.333 1.00 0.00 N ATOM 2 CA GLY A 1 -16.268 7.024 -13.848 1.00 0.00 C ATOM 3 C GLY A 1 -17.096 5.924 -14.517 1.00 0.00 C ATOM 4 O GLY A 1 -16.943 5.666 -15.710 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.083 9.066 -13.865 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.510 8.386 -15.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.664 8.500 -14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.209 6.859 -14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.400 6.977 -12.767 1.00 0.00 H new ATOM 8 N SER A 2 -17.954 5.305 -13.719 1.00 0.00 N ATOM 9 CA SER A 2 -18.805 4.240 -14.219 1.00 0.00 C ATOM 10 C SER A 2 -19.685 3.699 -13.090 1.00 0.00 C ATOM 11 O SER A 2 -19.258 3.646 -11.937 1.00 0.00 O ATOM 12 CB SER A 2 -17.973 3.110 -14.830 1.00 0.00 C ATOM 13 OG SER A 2 -18.667 2.445 -15.882 1.00 0.00 O ATOM 0 H SER A 2 -18.078 5.521 -12.730 1.00 0.00 H new ATOM 0 HA SER A 2 -19.441 4.651 -15.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.037 3.516 -15.213 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.715 2.390 -14.054 1.00 0.00 H new ATOM 0 HG SER A 2 -18.102 1.732 -16.247 1.00 0.00 H new ATOM 19 N SER A 3 -20.897 3.313 -13.460 1.00 0.00 N ATOM 20 CA SER A 3 -21.840 2.779 -12.492 1.00 0.00 C ATOM 21 C SER A 3 -21.446 1.351 -12.110 1.00 0.00 C ATOM 22 O SER A 3 -21.852 0.394 -12.767 1.00 0.00 O ATOM 23 CB SER A 3 -23.268 2.806 -13.042 1.00 0.00 C ATOM 24 OG SER A 3 -23.374 2.118 -14.285 1.00 0.00 O ATOM 0 H SER A 3 -21.248 3.359 -14.417 1.00 0.00 H new ATOM 0 HA SER A 3 -21.810 3.408 -11.602 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.944 2.352 -12.318 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.587 3.840 -13.172 1.00 0.00 H new ATOM 0 HG SER A 3 -22.889 1.268 -14.231 1.00 0.00 H new ATOM 30 N GLY A 4 -20.658 1.253 -11.049 1.00 0.00 N ATOM 31 CA GLY A 4 -20.204 -0.042 -10.571 1.00 0.00 C ATOM 32 C GLY A 4 -19.591 0.072 -9.174 1.00 0.00 C ATOM 33 O GLY A 4 -19.744 1.095 -8.508 1.00 0.00 O ATOM 0 H GLY A 4 -20.322 2.049 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.042 -0.739 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.468 -0.451 -11.263 1.00 0.00 H new ATOM 37 N SER A 5 -18.911 -0.991 -8.772 1.00 0.00 N ATOM 38 CA SER A 5 -18.274 -1.023 -7.466 1.00 0.00 C ATOM 39 C SER A 5 -17.171 0.035 -7.396 1.00 0.00 C ATOM 40 O SER A 5 -16.491 0.295 -8.388 1.00 0.00 O ATOM 41 CB SER A 5 -17.700 -2.409 -7.167 1.00 0.00 C ATOM 42 OG SER A 5 -17.364 -2.561 -5.790 1.00 0.00 O ATOM 0 H SER A 5 -18.787 -1.837 -9.328 1.00 0.00 H new ATOM 0 HA SER A 5 -19.029 -0.802 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.426 -3.171 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.812 -2.573 -7.777 1.00 0.00 H new ATOM 0 HG SER A 5 -17.003 -3.459 -5.639 1.00 0.00 H new ATOM 48 N SER A 6 -17.028 0.618 -6.215 1.00 0.00 N ATOM 49 CA SER A 6 -16.019 1.642 -6.003 1.00 0.00 C ATOM 50 C SER A 6 -15.322 1.419 -4.659 1.00 0.00 C ATOM 51 O SER A 6 -15.918 1.630 -3.604 1.00 0.00 O ATOM 52 CB SER A 6 -16.636 3.042 -6.055 1.00 0.00 C ATOM 53 OG SER A 6 -16.703 3.545 -7.387 1.00 0.00 O ATOM 0 H SER A 6 -17.594 0.401 -5.395 1.00 0.00 H new ATOM 0 HA SER A 6 -15.283 1.568 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.638 3.013 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.046 3.722 -5.440 1.00 0.00 H new ATOM 0 HG SER A 6 -17.104 4.439 -7.379 1.00 0.00 H new ATOM 59 N GLY A 7 -14.070 0.996 -4.742 1.00 0.00 N ATOM 60 CA GLY A 7 -13.285 0.742 -3.545 1.00 0.00 C ATOM 61 C GLY A 7 -12.326 -0.431 -3.757 1.00 0.00 C ATOM 62 O GLY A 7 -12.545 -1.267 -4.632 1.00 0.00 O ATOM 0 H GLY A 7 -13.579 0.823 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.719 1.635 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.950 0.526 -2.709 1.00 0.00 H new ATOM 66 N PRO A 8 -11.255 -0.456 -2.920 1.00 0.00 N ATOM 67 CA PRO A 8 -10.261 -1.512 -3.007 1.00 0.00 C ATOM 68 C PRO A 8 -10.796 -2.818 -2.416 1.00 0.00 C ATOM 69 O PRO A 8 -11.787 -2.815 -1.688 1.00 0.00 O ATOM 70 CB PRO A 8 -9.050 -0.976 -2.261 1.00 0.00 C ATOM 71 CG PRO A 8 -9.565 0.159 -1.391 1.00 0.00 C ATOM 72 CD PRO A 8 -10.962 0.518 -1.872 1.00 0.00 C ATOM 0 HA PRO A 8 -10.001 -1.760 -4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.589 -1.755 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.289 -0.621 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.588 -0.143 -0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.904 1.023 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.688 0.457 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.999 1.537 -2.257 1.00 0.00 H new ATOM 80 N PRO A 9 -10.099 -3.934 -2.762 1.00 0.00 N ATOM 81 CA PRO A 9 -10.493 -5.244 -2.274 1.00 0.00 C ATOM 82 C PRO A 9 -10.112 -5.420 -0.803 1.00 0.00 C ATOM 83 O PRO A 9 -8.945 -5.633 -0.481 1.00 0.00 O ATOM 84 CB PRO A 9 -9.792 -6.233 -3.191 1.00 0.00 C ATOM 85 CG PRO A 9 -8.669 -5.456 -3.860 1.00 0.00 C ATOM 86 CD PRO A 9 -8.920 -3.976 -3.622 1.00 0.00 C ATOM 0 HA PRO A 9 -11.572 -5.394 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.400 -7.079 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.483 -6.637 -3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.703 -5.750 -3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.639 -5.671 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.064 -3.501 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.095 -3.448 -4.560 1.00 0.00 H new ATOM 94 N GLU A 10 -11.120 -5.323 0.052 1.00 0.00 N ATOM 95 CA GLU A 10 -10.906 -5.468 1.481 1.00 0.00 C ATOM 96 C GLU A 10 -9.903 -6.591 1.756 1.00 0.00 C ATOM 97 O GLU A 10 -8.930 -6.394 2.482 1.00 0.00 O ATOM 98 CB GLU A 10 -12.226 -5.721 2.211 1.00 0.00 C ATOM 99 CG GLU A 10 -12.783 -4.425 2.804 1.00 0.00 C ATOM 100 CD GLU A 10 -14.056 -4.693 3.609 1.00 0.00 C ATOM 101 OE1 GLU A 10 -15.127 -4.768 2.969 1.00 0.00 O ATOM 102 OE2 GLU A 10 -13.930 -4.816 4.846 1.00 0.00 O ATOM 0 H GLU A 10 -12.087 -5.146 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.491 -4.535 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.951 -6.150 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.072 -6.452 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.033 -3.963 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.997 -3.717 2.003 1.00 0.00 H new ATOM 109 N ASP A 11 -10.176 -7.743 1.162 1.00 0.00 N ATOM 110 CA ASP A 11 -9.310 -8.897 1.334 1.00 0.00 C ATOM 111 C ASP A 11 -7.850 -8.453 1.230 1.00 0.00 C ATOM 112 O ASP A 11 -7.043 -8.749 2.111 1.00 0.00 O ATOM 113 CB ASP A 11 -9.564 -9.943 0.247 1.00 0.00 C ATOM 114 CG ASP A 11 -9.817 -11.362 0.761 1.00 0.00 C ATOM 115 OD1 ASP A 11 -9.147 -11.735 1.748 1.00 0.00 O ATOM 116 OD2 ASP A 11 -10.674 -12.041 0.155 1.00 0.00 O ATOM 0 H ASP A 11 -10.985 -7.902 0.561 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.520 -9.333 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.424 -9.629 -0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.705 -9.964 -0.424 1.00 0.00 H new ATOM 121 N CYS A 12 -7.553 -7.750 0.147 1.00 0.00 N ATOM 122 CA CYS A 12 -6.204 -7.263 -0.083 1.00 0.00 C ATOM 123 C CYS A 12 -5.790 -6.410 1.118 1.00 0.00 C ATOM 124 O CYS A 12 -4.744 -6.645 1.720 1.00 0.00 O ATOM 125 CB CYS A 12 -6.099 -6.487 -1.398 1.00 0.00 C ATOM 126 SG CYS A 12 -4.344 -6.135 -1.778 1.00 0.00 S ATOM 0 H CYS A 12 -8.224 -7.506 -0.581 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.521 -8.107 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.546 -7.064 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.658 -5.554 -1.325 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.064 -4.911 -1.441 1.00 0.00 H new ATOM 132 N VAL A 13 -6.633 -5.436 1.429 1.00 0.00 N ATOM 133 CA VAL A 13 -6.368 -4.546 2.547 1.00 0.00 C ATOM 134 C VAL A 13 -6.015 -5.377 3.782 1.00 0.00 C ATOM 135 O VAL A 13 -5.014 -5.114 4.447 1.00 0.00 O ATOM 136 CB VAL A 13 -7.564 -3.619 2.773 1.00 0.00 C ATOM 137 CG1 VAL A 13 -7.405 -2.825 4.071 1.00 0.00 C ATOM 138 CG2 VAL A 13 -7.765 -2.683 1.579 1.00 0.00 C ATOM 0 H VAL A 13 -7.500 -5.244 0.927 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.513 -3.905 2.330 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.455 -4.239 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.269 -2.174 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.333 -3.514 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.500 -2.220 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.621 -2.035 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.872 -2.074 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.945 -3.273 0.680 1.00 0.00 H new ATOM 148 N THR A 14 -6.858 -6.364 4.053 1.00 0.00 N ATOM 149 CA THR A 14 -6.647 -7.235 5.197 1.00 0.00 C ATOM 150 C THR A 14 -5.281 -7.918 5.103 1.00 0.00 C ATOM 151 O THR A 14 -4.406 -7.680 5.934 1.00 0.00 O ATOM 152 CB THR A 14 -7.816 -8.221 5.261 1.00 0.00 C ATOM 153 OG1 THR A 14 -8.934 -7.410 5.611 1.00 0.00 O ATOM 154 CG2 THR A 14 -7.689 -9.204 6.427 1.00 0.00 C ATOM 0 H THR A 14 -7.688 -6.579 3.500 1.00 0.00 H new ATOM 0 HA THR A 14 -6.628 -6.668 6.128 1.00 0.00 H new ATOM 0 HB THR A 14 -7.876 -8.775 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.737 -7.969 5.673 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.543 -9.881 6.427 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.770 -9.780 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.663 -8.652 7.367 1.00 0.00 H new ATOM 162 N THR A 15 -5.141 -8.752 4.083 1.00 0.00 N ATOM 163 CA THR A 15 -3.896 -9.471 3.870 1.00 0.00 C ATOM 164 C THR A 15 -2.700 -8.571 4.188 1.00 0.00 C ATOM 165 O THR A 15 -1.948 -8.840 5.123 1.00 0.00 O ATOM 166 CB THR A 15 -3.895 -9.999 2.434 1.00 0.00 C ATOM 167 OG1 THR A 15 -4.783 -11.113 2.473 1.00 0.00 O ATOM 168 CG2 THR A 15 -2.550 -10.608 2.035 1.00 0.00 C ATOM 0 H THR A 15 -5.869 -8.946 3.395 1.00 0.00 H new ATOM 0 HA THR A 15 -3.810 -10.323 4.545 1.00 0.00 H new ATOM 0 HB THR A 15 -4.143 -9.188 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.843 -11.515 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.604 -10.967 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.770 -9.851 2.114 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.316 -11.441 2.699 1.00 0.00 H new ATOM 176 N ILE A 16 -2.561 -7.522 3.390 1.00 0.00 N ATOM 177 CA ILE A 16 -1.469 -6.581 3.575 1.00 0.00 C ATOM 178 C ILE A 16 -1.306 -6.282 5.066 1.00 0.00 C ATOM 179 O ILE A 16 -0.274 -6.597 5.657 1.00 0.00 O ATOM 180 CB ILE A 16 -1.687 -5.333 2.717 1.00 0.00 C ATOM 181 CG1 ILE A 16 -1.608 -5.671 1.227 1.00 0.00 C ATOM 182 CG2 ILE A 16 -0.707 -4.224 3.106 1.00 0.00 C ATOM 183 CD1 ILE A 16 -1.840 -4.426 0.369 1.00 0.00 C ATOM 0 H ILE A 16 -3.186 -7.303 2.614 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.530 -7.015 3.233 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.692 -4.957 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.631 -6.097 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.352 -6.429 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.882 -3.348 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.854 -3.959 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.315 -4.574 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.778 -4.694 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.827 -4.016 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.080 -3.679 0.598 1.00 0.00 H new ATOM 195 N VAL A 17 -2.340 -5.678 5.633 1.00 0.00 N ATOM 196 CA VAL A 17 -2.325 -5.332 7.044 1.00 0.00 C ATOM 197 C VAL A 17 -1.897 -6.555 7.859 1.00 0.00 C ATOM 198 O VAL A 17 -1.109 -6.436 8.796 1.00 0.00 O ATOM 199 CB VAL A 17 -3.689 -4.782 7.463 1.00 0.00 C ATOM 200 CG1 VAL A 17 -3.712 -4.453 8.957 1.00 0.00 C ATOM 201 CG2 VAL A 17 -4.067 -3.558 6.627 1.00 0.00 C ATOM 0 H VAL A 17 -3.195 -5.419 5.140 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.599 -4.542 7.236 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.433 -5.557 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.693 -4.064 9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.508 -5.356 9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.951 -3.704 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.041 -3.187 6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.318 -2.778 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.111 -3.836 5.574 1.00 0.00 H new ATOM 211 N SER A 18 -2.436 -7.702 7.472 1.00 0.00 N ATOM 212 CA SER A 18 -2.120 -8.945 8.156 1.00 0.00 C ATOM 213 C SER A 18 -0.605 -9.082 8.318 1.00 0.00 C ATOM 214 O SER A 18 -0.127 -9.537 9.356 1.00 0.00 O ATOM 215 CB SER A 18 -2.684 -10.148 7.398 1.00 0.00 C ATOM 216 OG SER A 18 -3.041 -11.212 8.276 1.00 0.00 O ATOM 0 H SER A 18 -3.089 -7.797 6.694 1.00 0.00 H new ATOM 0 HA SER A 18 -2.583 -8.921 9.142 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.560 -9.839 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.945 -10.503 6.680 1.00 0.00 H new ATOM 0 HG SER A 18 -3.398 -11.961 7.754 1.00 0.00 H new ATOM 222 N MET A 19 0.108 -8.681 7.276 1.00 0.00 N ATOM 223 CA MET A 19 1.560 -8.753 7.291 1.00 0.00 C ATOM 224 C MET A 19 2.144 -7.836 8.367 1.00 0.00 C ATOM 225 O MET A 19 3.265 -8.048 8.826 1.00 0.00 O ATOM 226 CB MET A 19 2.105 -8.345 5.920 1.00 0.00 C ATOM 227 CG MET A 19 1.266 -8.952 4.794 1.00 0.00 C ATOM 228 SD MET A 19 2.332 -9.550 3.493 1.00 0.00 S ATOM 229 CE MET A 19 1.599 -8.727 2.089 1.00 0.00 C ATOM 0 H MET A 19 -0.292 -8.305 6.416 1.00 0.00 H new ATOM 0 HA MET A 19 1.852 -9.778 7.518 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.105 -7.258 5.833 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.140 -8.672 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 19 0.658 -9.769 5.182 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.579 -8.204 4.398 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.862 -9.261 1.176 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.515 -8.712 2.201 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.972 -7.704 2.031 1.00 0.00 H new ATOM 239 N GLY A 20 1.358 -6.836 8.738 1.00 0.00 N ATOM 240 CA GLY A 20 1.783 -5.886 9.751 1.00 0.00 C ATOM 241 C GLY A 20 2.017 -4.502 9.142 1.00 0.00 C ATOM 242 O GLY A 20 2.765 -3.696 9.692 1.00 0.00 O ATOM 0 H GLY A 20 0.429 -6.663 8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.026 -5.820 10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.700 -6.239 10.224 1.00 0.00 H new ATOM 246 N PHE A 21 1.364 -4.270 8.013 1.00 0.00 N ATOM 247 CA PHE A 21 1.491 -2.998 7.323 1.00 0.00 C ATOM 248 C PHE A 21 0.382 -2.032 7.744 1.00 0.00 C ATOM 249 O PHE A 21 -0.616 -2.445 8.333 1.00 0.00 O ATOM 250 CB PHE A 21 1.359 -3.286 5.826 1.00 0.00 C ATOM 251 CG PHE A 21 2.581 -3.974 5.214 1.00 0.00 C ATOM 252 CD1 PHE A 21 3.783 -3.338 5.201 1.00 0.00 C ATOM 253 CD2 PHE A 21 2.465 -5.221 4.684 1.00 0.00 C ATOM 254 CE1 PHE A 21 4.918 -3.976 4.633 1.00 0.00 C ATOM 255 CE2 PHE A 21 3.600 -5.859 4.116 1.00 0.00 C ATOM 256 CZ PHE A 21 4.802 -5.223 4.103 1.00 0.00 C ATOM 0 H PHE A 21 0.745 -4.942 7.559 1.00 0.00 H new ATOM 0 HA PHE A 21 2.448 -2.537 7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.482 -3.913 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.182 -2.348 5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.875 -2.348 5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.510 -5.726 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.873 -3.471 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.508 -6.849 3.694 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.665 -5.708 3.672 1.00 0.00 H new ATOM 266 N SER A 22 0.593 -0.763 7.426 1.00 0.00 N ATOM 267 CA SER A 22 -0.376 0.265 7.764 1.00 0.00 C ATOM 268 C SER A 22 -1.564 0.201 6.801 1.00 0.00 C ATOM 269 O SER A 22 -1.408 -0.182 5.643 1.00 0.00 O ATOM 270 CB SER A 22 0.261 1.655 7.730 1.00 0.00 C ATOM 271 OG SER A 22 1.608 1.637 8.194 1.00 0.00 O ATOM 0 H SER A 22 1.422 -0.424 6.937 1.00 0.00 H new ATOM 0 HA SER A 22 -0.729 0.082 8.779 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.234 2.041 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.325 2.337 8.345 1.00 0.00 H new ATOM 0 HG SER A 22 2.188 1.258 7.501 1.00 0.00 H new ATOM 277 N ARG A 23 -2.723 0.584 7.316 1.00 0.00 N ATOM 278 CA ARG A 23 -3.936 0.575 6.516 1.00 0.00 C ATOM 279 C ARG A 23 -3.778 1.493 5.303 1.00 0.00 C ATOM 280 O ARG A 23 -4.071 1.095 4.176 1.00 0.00 O ATOM 281 CB ARG A 23 -5.142 1.032 7.340 1.00 0.00 C ATOM 282 CG ARG A 23 -6.453 0.636 6.659 1.00 0.00 C ATOM 283 CD ARG A 23 -7.556 0.395 7.692 1.00 0.00 C ATOM 284 NE ARG A 23 -8.188 -0.923 7.460 1.00 0.00 N ATOM 285 CZ ARG A 23 -9.241 -1.383 8.150 1.00 0.00 C ATOM 286 NH1 ARG A 23 -9.786 -0.635 9.118 1.00 0.00 N ATOM 287 NH2 ARG A 23 -9.748 -2.592 7.871 1.00 0.00 N ATOM 0 H ARG A 23 -2.848 0.902 8.277 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.106 -0.448 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.096 0.589 8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.108 2.114 7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.761 1.422 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.301 -0.266 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.138 0.435 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.306 1.184 7.626 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.798 -1.518 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.400 0.285 9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.587 -0.985 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.332 -3.162 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.549 -2.942 8.396 1.00 0.00 H new ATOM 301 N ASP A 24 -3.316 2.705 5.573 1.00 0.00 N ATOM 302 CA ASP A 24 -3.115 3.682 4.517 1.00 0.00 C ATOM 303 C ASP A 24 -2.230 3.075 3.427 1.00 0.00 C ATOM 304 O ASP A 24 -2.522 3.209 2.239 1.00 0.00 O ATOM 305 CB ASP A 24 -2.416 4.934 5.051 1.00 0.00 C ATOM 306 CG ASP A 24 -1.937 5.914 3.978 1.00 0.00 C ATOM 307 OD1 ASP A 24 -2.671 6.065 2.978 1.00 0.00 O ATOM 308 OD2 ASP A 24 -0.846 6.490 4.182 1.00 0.00 O ATOM 0 H ASP A 24 -3.075 3.033 6.508 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.093 3.956 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.100 5.457 5.720 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.559 4.626 5.649 1.00 0.00 H new ATOM 313 N GLN A 25 -1.166 2.421 3.869 1.00 0.00 N ATOM 314 CA GLN A 25 -0.237 1.792 2.946 1.00 0.00 C ATOM 315 C GLN A 25 -0.991 0.899 1.960 1.00 0.00 C ATOM 316 O GLN A 25 -0.941 1.121 0.751 1.00 0.00 O ATOM 317 CB GLN A 25 0.832 0.998 3.700 1.00 0.00 C ATOM 318 CG GLN A 25 1.843 1.934 4.366 1.00 0.00 C ATOM 319 CD GLN A 25 2.980 1.141 5.013 1.00 0.00 C ATOM 320 OE1 GLN A 25 2.801 0.437 5.994 1.00 0.00 O ATOM 321 NE2 GLN A 25 4.156 1.293 4.411 1.00 0.00 N ATOM 0 H GLN A 25 -0.927 2.313 4.855 1.00 0.00 H new ATOM 0 HA GLN A 25 0.270 2.575 2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.359 0.371 4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.349 0.331 3.010 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.250 2.622 3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.341 2.539 5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.236 1.898 3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.978 0.805 4.767 1.00 0.00 H new ATOM 330 N ALA A 26 -1.672 -0.094 2.512 1.00 0.00 N ATOM 331 CA ALA A 26 -2.436 -1.023 1.696 1.00 0.00 C ATOM 332 C ALA A 26 -3.322 -0.235 0.729 1.00 0.00 C ATOM 333 O ALA A 26 -3.298 -0.476 -0.477 1.00 0.00 O ATOM 334 CB ALA A 26 -3.245 -1.953 2.602 1.00 0.00 C ATOM 0 H ALA A 26 -1.711 -0.276 3.515 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.771 -1.647 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.818 -2.650 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.568 -2.511 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.927 -1.362 3.214 1.00 0.00 H new ATOM 340 N LEU A 27 -4.085 0.689 1.295 1.00 0.00 N ATOM 341 CA LEU A 27 -4.977 1.513 0.498 1.00 0.00 C ATOM 342 C LEU A 27 -4.173 2.218 -0.596 1.00 0.00 C ATOM 343 O LEU A 27 -4.445 2.043 -1.783 1.00 0.00 O ATOM 344 CB LEU A 27 -5.766 2.470 1.394 1.00 0.00 C ATOM 345 CG LEU A 27 -6.761 1.819 2.357 1.00 0.00 C ATOM 346 CD1 LEU A 27 -7.222 2.814 3.424 1.00 0.00 C ATOM 347 CD2 LEU A 27 -7.940 1.208 1.597 1.00 0.00 C ATOM 0 H LEU A 27 -4.104 0.885 2.296 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.722 0.894 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.057 3.058 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.310 3.167 0.757 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.253 1.004 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.929 2.326 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.360 3.161 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.706 3.664 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.632 0.752 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.455 1.988 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.574 0.448 0.907 1.00 0.00 H new ATOM 359 N LYS A 28 -3.198 3.001 -0.158 1.00 0.00 N ATOM 360 CA LYS A 28 -2.352 3.734 -1.085 1.00 0.00 C ATOM 361 C LYS A 28 -1.784 2.765 -2.124 1.00 0.00 C ATOM 362 O LYS A 28 -2.092 2.870 -3.310 1.00 0.00 O ATOM 363 CB LYS A 28 -1.281 4.520 -0.326 1.00 0.00 C ATOM 364 CG LYS A 28 -1.488 6.027 -0.489 1.00 0.00 C ATOM 365 CD LYS A 28 -0.148 6.761 -0.553 1.00 0.00 C ATOM 366 CE LYS A 28 0.143 7.248 -1.974 1.00 0.00 C ATOM 367 NZ LYS A 28 -0.745 8.378 -2.327 1.00 0.00 N ATOM 0 H LYS A 28 -2.975 3.144 0.827 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.935 4.478 -1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.313 4.257 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.293 4.243 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.058 6.223 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.076 6.409 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.161 7.610 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.651 6.097 -0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.185 7.559 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.000 6.431 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.359 8.878 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.693 8.017 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.808 9.034 -1.523 1.00 0.00 H new ATOM 381 N ALA A 29 -0.963 1.844 -1.641 1.00 0.00 N ATOM 382 CA ALA A 29 -0.349 0.857 -2.513 1.00 0.00 C ATOM 383 C ALA A 29 -1.377 0.382 -3.542 1.00 0.00 C ATOM 384 O ALA A 29 -1.188 0.565 -4.744 1.00 0.00 O ATOM 385 CB ALA A 29 0.208 -0.293 -1.672 1.00 0.00 C ATOM 0 H ALA A 29 -0.709 1.760 -0.657 1.00 0.00 H new ATOM 0 HA ALA A 29 0.486 1.295 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.668 -1.033 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.955 0.092 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.602 -0.759 -1.111 1.00 0.00 H new ATOM 391 N LEU A 30 -2.442 -0.218 -3.033 1.00 0.00 N ATOM 392 CA LEU A 30 -3.500 -0.721 -3.893 1.00 0.00 C ATOM 393 C LEU A 30 -3.793 0.306 -4.988 1.00 0.00 C ATOM 394 O LEU A 30 -3.526 0.059 -6.163 1.00 0.00 O ATOM 395 CB LEU A 30 -4.729 -1.103 -3.064 1.00 0.00 C ATOM 396 CG LEU A 30 -4.706 -2.497 -2.434 1.00 0.00 C ATOM 397 CD1 LEU A 30 -5.738 -2.607 -1.310 1.00 0.00 C ATOM 398 CD2 LEU A 30 -4.897 -3.581 -3.496 1.00 0.00 C ATOM 0 H LEU A 30 -2.596 -0.367 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.182 -1.637 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.848 -0.368 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.610 -1.028 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.725 -2.654 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.701 -3.607 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.515 -1.871 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.734 -2.421 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.877 -4.562 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.856 -3.438 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.094 -3.516 -4.231 1.00 0.00 H new ATOM 410 N ARG A 31 -4.338 1.437 -4.564 1.00 0.00 N ATOM 411 CA ARG A 31 -4.670 2.503 -5.494 1.00 0.00 C ATOM 412 C ARG A 31 -3.448 2.868 -6.341 1.00 0.00 C ATOM 413 O ARG A 31 -3.588 3.382 -7.450 1.00 0.00 O ATOM 414 CB ARG A 31 -5.158 3.749 -4.753 1.00 0.00 C ATOM 415 CG ARG A 31 -6.232 4.481 -5.560 1.00 0.00 C ATOM 416 CD ARG A 31 -6.276 5.966 -5.193 1.00 0.00 C ATOM 417 NE ARG A 31 -7.343 6.646 -5.961 1.00 0.00 N ATOM 418 CZ ARG A 31 -8.654 6.451 -5.760 1.00 0.00 C ATOM 419 NH1 ARG A 31 -9.067 5.597 -4.814 1.00 0.00 N ATOM 420 NH2 ARG A 31 -9.551 7.112 -6.504 1.00 0.00 N ATOM 0 H ARG A 31 -4.558 1.638 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.470 2.142 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.560 3.464 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.318 4.418 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.029 4.372 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.205 4.027 -5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.457 6.080 -4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.313 6.430 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.063 7.304 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.384 5.095 -4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.065 5.449 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.236 7.763 -7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.549 6.964 -6.351 1.00 0.00 H new ATOM 434 N ALA A 32 -2.278 2.587 -5.786 1.00 0.00 N ATOM 435 CA ALA A 32 -1.034 2.879 -6.476 1.00 0.00 C ATOM 436 C ALA A 32 -0.793 1.822 -7.556 1.00 0.00 C ATOM 437 O ALA A 32 -0.071 2.067 -8.520 1.00 0.00 O ATOM 438 CB ALA A 32 0.109 2.947 -5.461 1.00 0.00 C ATOM 0 H ALA A 32 -2.166 2.160 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.089 3.849 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.043 3.166 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.096 3.733 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.196 1.990 -4.946 1.00 0.00 H new ATOM 444 N THR A 33 -1.413 0.668 -7.356 1.00 0.00 N ATOM 445 CA THR A 33 -1.275 -0.428 -8.300 1.00 0.00 C ATOM 446 C THR A 33 -2.644 -0.833 -8.851 1.00 0.00 C ATOM 447 O THR A 33 -3.008 -2.007 -8.820 1.00 0.00 O ATOM 448 CB THR A 33 -0.543 -1.571 -7.595 1.00 0.00 C ATOM 449 OG1 THR A 33 -1.531 -2.143 -6.741 1.00 0.00 O ATOM 450 CG2 THR A 33 0.536 -1.070 -6.632 1.00 0.00 C ATOM 0 H THR A 33 -2.012 0.468 -6.555 1.00 0.00 H new ATOM 0 HA THR A 33 -0.685 -0.130 -9.167 1.00 0.00 H new ATOM 0 HB THR A 33 -0.090 -2.225 -8.340 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.141 -1.442 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.025 -1.921 -6.158 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.275 -0.489 -7.184 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.078 -0.443 -5.867 1.00 0.00 H new ATOM 458 N ASN A 34 -3.367 0.164 -9.342 1.00 0.00 N ATOM 459 CA ASN A 34 -4.688 -0.073 -9.899 1.00 0.00 C ATOM 460 C ASN A 34 -5.430 -1.087 -9.026 1.00 0.00 C ATOM 461 O ASN A 34 -6.267 -1.841 -9.520 1.00 0.00 O ATOM 462 CB ASN A 34 -4.594 -0.647 -11.314 1.00 0.00 C ATOM 463 CG ASN A 34 -5.905 -0.444 -12.076 1.00 0.00 C ATOM 464 OD1 ASN A 34 -6.843 0.171 -11.596 1.00 0.00 O ATOM 465 ND2 ASN A 34 -5.918 -0.993 -13.287 1.00 0.00 N ATOM 0 H ASN A 34 -3.063 1.137 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.217 0.880 -9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.778 -0.165 -11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.359 -1.710 -11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.748 -0.912 -13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.098 -1.495 -13.628 1.00 0.00 H new ATOM 472 N ASN A 35 -5.096 -1.073 -7.744 1.00 0.00 N ATOM 473 CA ASN A 35 -5.720 -1.982 -6.798 1.00 0.00 C ATOM 474 C ASN A 35 -5.239 -3.408 -7.073 1.00 0.00 C ATOM 475 O ASN A 35 -6.022 -4.262 -7.484 1.00 0.00 O ATOM 476 CB ASN A 35 -7.244 -1.961 -6.938 1.00 0.00 C ATOM 477 CG ASN A 35 -7.771 -0.526 -6.989 1.00 0.00 C ATOM 478 OD1 ASN A 35 -7.720 0.216 -6.021 1.00 0.00 O ATOM 479 ND2 ASN A 35 -8.278 -0.177 -8.168 1.00 0.00 N ATOM 0 H ASN A 35 -4.401 -0.446 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.446 -1.663 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.537 -2.492 -7.844 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.697 -2.489 -6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.655 0.761 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.290 -0.847 -8.937 1.00 0.00 H new ATOM 486 N SER A 36 -3.953 -3.620 -6.836 1.00 0.00 N ATOM 487 CA SER A 36 -3.358 -4.928 -7.053 1.00 0.00 C ATOM 488 C SER A 36 -2.781 -5.465 -5.742 1.00 0.00 C ATOM 489 O SER A 36 -2.241 -4.704 -4.940 1.00 0.00 O ATOM 490 CB SER A 36 -2.270 -4.867 -8.127 1.00 0.00 C ATOM 491 OG SER A 36 -2.730 -5.360 -9.382 1.00 0.00 O ATOM 0 H SER A 36 -3.306 -2.908 -6.496 1.00 0.00 H new ATOM 0 HA SER A 36 -4.138 -5.604 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.933 -3.837 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.408 -5.450 -7.803 1.00 0.00 H new ATOM 0 HG SER A 36 -2.007 -5.303 -10.041 1.00 0.00 H new ATOM 497 N LEU A 37 -2.913 -6.771 -5.565 1.00 0.00 N ATOM 498 CA LEU A 37 -2.411 -7.418 -4.365 1.00 0.00 C ATOM 499 C LEU A 37 -0.922 -7.724 -4.540 1.00 0.00 C ATOM 500 O LEU A 37 -0.122 -7.466 -3.643 1.00 0.00 O ATOM 501 CB LEU A 37 -3.256 -8.648 -4.026 1.00 0.00 C ATOM 502 CG LEU A 37 -2.710 -9.552 -2.919 1.00 0.00 C ATOM 503 CD1 LEU A 37 -2.630 -8.803 -1.588 1.00 0.00 C ATOM 504 CD2 LEU A 37 -3.533 -10.837 -2.805 1.00 0.00 C ATOM 0 H LEU A 37 -3.360 -7.399 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.501 -6.752 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.251 -8.312 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.373 -9.245 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.694 -9.843 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.239 -9.469 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.969 -7.943 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.625 -8.463 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.124 -11.462 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.568 -10.587 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.494 -11.379 -3.750 1.00 0.00 H new ATOM 516 N GLU A 38 -0.596 -8.270 -5.703 1.00 0.00 N ATOM 517 CA GLU A 38 0.783 -8.614 -6.007 1.00 0.00 C ATOM 518 C GLU A 38 1.643 -7.350 -6.070 1.00 0.00 C ATOM 519 O GLU A 38 2.673 -7.263 -5.402 1.00 0.00 O ATOM 520 CB GLU A 38 0.874 -9.405 -7.314 1.00 0.00 C ATOM 521 CG GLU A 38 1.492 -10.784 -7.077 1.00 0.00 C ATOM 522 CD GLU A 38 2.175 -11.304 -8.344 1.00 0.00 C ATOM 523 OE1 GLU A 38 3.077 -10.592 -8.836 1.00 0.00 O ATOM 524 OE2 GLU A 38 1.780 -12.402 -8.792 1.00 0.00 O ATOM 0 H GLU A 38 -1.263 -8.482 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 38 1.164 -9.250 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.121 -9.517 -7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.474 -8.853 -8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.218 -10.727 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.718 -11.484 -6.763 1.00 0.00 H new ATOM 531 N ARG A 39 1.190 -6.404 -6.878 1.00 0.00 N ATOM 532 CA ARG A 39 1.906 -5.149 -7.037 1.00 0.00 C ATOM 533 C ARG A 39 1.997 -4.417 -5.696 1.00 0.00 C ATOM 534 O ARG A 39 3.083 -4.030 -5.268 1.00 0.00 O ATOM 535 CB ARG A 39 1.214 -4.245 -8.059 1.00 0.00 C ATOM 536 CG ARG A 39 1.421 -4.767 -9.482 1.00 0.00 C ATOM 537 CD ARG A 39 1.967 -3.667 -10.395 1.00 0.00 C ATOM 538 NE ARG A 39 3.446 -3.652 -10.341 1.00 0.00 N ATOM 539 CZ ARG A 39 4.224 -4.652 -10.775 1.00 0.00 C ATOM 540 NH1 ARG A 39 3.669 -5.754 -11.298 1.00 0.00 N ATOM 541 NH2 ARG A 39 5.557 -4.552 -10.686 1.00 0.00 N ATOM 0 H ARG A 39 0.336 -6.481 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 39 2.908 -5.382 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.148 -4.191 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.607 -3.232 -7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.113 -5.609 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.476 -5.138 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.634 -3.835 -11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.574 -2.698 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 39 3.901 -2.828 -9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.654 -5.831 -11.366 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.261 -6.516 -11.629 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.980 -3.714 -10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.149 -5.314 -11.017 1.00 0.00 H new ATOM 555 N ALA A 40 0.840 -4.248 -5.072 1.00 0.00 N ATOM 556 CA ALA A 40 0.775 -3.568 -3.789 1.00 0.00 C ATOM 557 C ALA A 40 1.960 -4.005 -2.925 1.00 0.00 C ATOM 558 O ALA A 40 2.758 -3.175 -2.493 1.00 0.00 O ATOM 559 CB ALA A 40 -0.571 -3.861 -3.124 1.00 0.00 C ATOM 0 H ALA A 40 -0.059 -4.570 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 40 0.845 -2.488 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.620 -3.351 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.378 -3.506 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.675 -4.935 -2.971 1.00 0.00 H new ATOM 565 N VAL A 41 2.036 -5.308 -2.697 1.00 0.00 N ATOM 566 CA VAL A 41 3.110 -5.866 -1.892 1.00 0.00 C ATOM 567 C VAL A 41 4.454 -5.372 -2.431 1.00 0.00 C ATOM 568 O VAL A 41 5.345 -5.021 -1.658 1.00 0.00 O ATOM 569 CB VAL A 41 3.002 -7.392 -1.860 1.00 0.00 C ATOM 570 CG1 VAL A 41 4.283 -8.020 -1.308 1.00 0.00 C ATOM 571 CG2 VAL A 41 1.780 -7.838 -1.055 1.00 0.00 C ATOM 0 H VAL A 41 1.371 -5.994 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 41 3.030 -5.527 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 41 2.873 -7.741 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.180 -9.105 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.126 -7.742 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.457 -7.661 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.727 -8.927 -1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.865 -7.472 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.876 -7.433 -1.511 1.00 0.00 H new ATOM 581 N ASP A 42 4.559 -5.362 -3.751 1.00 0.00 N ATOM 582 CA ASP A 42 5.780 -4.918 -4.402 1.00 0.00 C ATOM 583 C ASP A 42 5.999 -3.433 -4.105 1.00 0.00 C ATOM 584 O ASP A 42 7.068 -3.041 -3.641 1.00 0.00 O ATOM 585 CB ASP A 42 5.688 -5.088 -5.920 1.00 0.00 C ATOM 586 CG ASP A 42 6.609 -6.160 -6.507 1.00 0.00 C ATOM 587 OD1 ASP A 42 7.830 -5.894 -6.555 1.00 0.00 O ATOM 588 OD2 ASP A 42 6.072 -7.220 -6.894 1.00 0.00 O ATOM 0 H ASP A 42 3.818 -5.654 -4.388 1.00 0.00 H new ATOM 0 HA ASP A 42 6.604 -5.521 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.658 -5.332 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.919 -4.133 -6.392 1.00 0.00 H new ATOM 593 N TRP A 43 4.969 -2.648 -4.386 1.00 0.00 N ATOM 594 CA TRP A 43 5.036 -1.215 -4.155 1.00 0.00 C ATOM 595 C TRP A 43 5.369 -0.989 -2.679 1.00 0.00 C ATOM 596 O TRP A 43 6.022 -0.007 -2.329 1.00 0.00 O ATOM 597 CB TRP A 43 3.739 -0.529 -4.586 1.00 0.00 C ATOM 598 CG TRP A 43 3.828 0.998 -4.634 1.00 0.00 C ATOM 599 CD1 TRP A 43 4.134 1.774 -5.683 1.00 0.00 C ATOM 600 CD2 TRP A 43 3.595 1.907 -3.538 1.00 0.00 C ATOM 601 NE1 TRP A 43 4.115 3.112 -5.344 1.00 0.00 N ATOM 602 CE2 TRP A 43 3.777 3.195 -3.999 1.00 0.00 C ATOM 603 CE3 TRP A 43 3.242 1.650 -2.202 1.00 0.00 C ATOM 604 CZ2 TRP A 43 3.628 4.327 -3.189 1.00 0.00 C ATOM 605 CZ3 TRP A 43 3.097 2.792 -1.405 1.00 0.00 C ATOM 606 CH2 TRP A 43 3.277 4.095 -1.853 1.00 0.00 C ATOM 0 H TRP A 43 4.084 -2.977 -4.771 1.00 0.00 H new ATOM 0 HA TRP A 43 5.820 -0.763 -4.762 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.456 -0.897 -5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.943 -0.815 -3.898 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.366 1.400 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.313 3.896 -5.966 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.094 0.651 -1.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.776 5.325 -3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.826 2.650 -0.369 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.147 4.925 -1.174 1.00 0.00 H new ATOM 617 N ILE A 44 4.905 -1.915 -1.852 1.00 0.00 N ATOM 618 CA ILE A 44 5.146 -1.829 -0.421 1.00 0.00 C ATOM 619 C ILE A 44 6.625 -2.100 -0.140 1.00 0.00 C ATOM 620 O ILE A 44 7.360 -1.198 0.258 1.00 0.00 O ATOM 621 CB ILE A 44 4.196 -2.756 0.338 1.00 0.00 C ATOM 622 CG1 ILE A 44 2.797 -2.144 0.442 1.00 0.00 C ATOM 623 CG2 ILE A 44 4.765 -3.120 1.711 1.00 0.00 C ATOM 624 CD1 ILE A 44 1.838 -3.086 1.171 1.00 0.00 C ATOM 0 H ILE A 44 4.364 -2.728 -2.145 1.00 0.00 H new ATOM 0 HA ILE A 44 4.932 -0.824 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 44 4.101 -3.683 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.851 -1.193 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.414 -1.931 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.070 -3.780 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.722 -3.627 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.910 -2.212 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.852 -2.626 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.767 -4.027 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.211 -3.277 2.177 1.00 0.00 H new ATOM 636 N PHE A 45 7.018 -3.346 -0.359 1.00 0.00 N ATOM 637 CA PHE A 45 8.396 -3.747 -0.134 1.00 0.00 C ATOM 638 C PHE A 45 9.368 -2.687 -0.655 1.00 0.00 C ATOM 639 O PHE A 45 10.484 -2.562 -0.154 1.00 0.00 O ATOM 640 CB PHE A 45 8.616 -5.048 -0.909 1.00 0.00 C ATOM 641 CG PHE A 45 8.496 -6.310 -0.053 1.00 0.00 C ATOM 642 CD1 PHE A 45 7.386 -6.514 0.708 1.00 0.00 C ATOM 643 CD2 PHE A 45 9.499 -7.229 -0.051 1.00 0.00 C ATOM 644 CE1 PHE A 45 7.275 -7.685 1.502 1.00 0.00 C ATOM 645 CE2 PHE A 45 9.387 -8.400 0.744 1.00 0.00 C ATOM 646 CZ PHE A 45 8.278 -8.604 1.504 1.00 0.00 C ATOM 0 H PHE A 45 6.406 -4.092 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 45 8.576 -3.874 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.891 -5.102 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.605 -5.024 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.590 -5.785 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.380 -7.068 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.394 -7.847 2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.183 -9.129 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.194 -9.495 2.109 1.00 0.00 H new ATOM 656 N SER A 46 8.907 -1.949 -1.655 1.00 0.00 N ATOM 657 CA SER A 46 9.722 -0.903 -2.250 1.00 0.00 C ATOM 658 C SER A 46 9.721 0.336 -1.352 1.00 0.00 C ATOM 659 O SER A 46 10.779 0.820 -0.954 1.00 0.00 O ATOM 660 CB SER A 46 9.221 -0.544 -3.650 1.00 0.00 C ATOM 661 OG SER A 46 10.092 0.370 -4.310 1.00 0.00 O ATOM 0 H SER A 46 7.980 -2.055 -2.068 1.00 0.00 H new ATOM 0 HA SER A 46 10.742 -1.276 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.129 -1.452 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.225 -0.108 -3.578 1.00 0.00 H new ATOM 0 HG SER A 46 9.739 0.573 -5.201 1.00 0.00 H new ATOM 667 N HIS A 47 8.520 0.814 -1.059 1.00 0.00 N ATOM 668 CA HIS A 47 8.367 1.987 -0.215 1.00 0.00 C ATOM 669 C HIS A 47 8.241 1.555 1.247 1.00 0.00 C ATOM 670 O HIS A 47 7.378 2.048 1.972 1.00 0.00 O ATOM 671 CB HIS A 47 7.189 2.843 -0.684 1.00 0.00 C ATOM 672 CG HIS A 47 7.594 4.160 -1.302 1.00 0.00 C ATOM 673 ND1 HIS A 47 6.687 5.167 -1.582 1.00 0.00 N ATOM 674 CD2 HIS A 47 8.817 4.624 -1.690 1.00 0.00 C ATOM 675 CE1 HIS A 47 7.345 6.186 -2.115 1.00 0.00 C ATOM 676 NE2 HIS A 47 8.665 5.847 -2.181 1.00 0.00 N ATOM 0 H HIS A 47 7.644 0.410 -1.391 1.00 0.00 H new ATOM 0 HA HIS A 47 9.254 2.616 -0.296 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.608 2.276 -1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.534 3.038 0.165 1.00 0.00 H new ATOM 0 HD1 HIS A 47 5.683 5.131 -1.408 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.751 4.087 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.913 7.121 -2.440 1.00 0.00 H new ATOM 684 N ILE A 48 9.115 0.638 1.637 1.00 0.00 N ATOM 685 CA ILE A 48 9.113 0.134 3.000 1.00 0.00 C ATOM 686 C ILE A 48 9.733 1.181 3.927 1.00 0.00 C ATOM 687 O ILE A 48 9.177 1.490 4.980 1.00 0.00 O ATOM 688 CB ILE A 48 9.800 -1.231 3.067 1.00 0.00 C ATOM 689 CG1 ILE A 48 8.984 -2.216 3.906 1.00 0.00 C ATOM 690 CG2 ILE A 48 11.237 -1.097 3.576 1.00 0.00 C ATOM 691 CD1 ILE A 48 7.672 -2.576 3.207 1.00 0.00 C ATOM 0 H ILE A 48 9.829 0.231 1.033 1.00 0.00 H new ATOM 0 HA ILE A 48 8.092 -0.032 3.344 1.00 0.00 H new ATOM 0 HB ILE A 48 9.853 -1.637 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.567 -3.120 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.772 -1.779 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.703 -2.082 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.803 -0.454 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.230 -0.660 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.111 -3.278 3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.081 -1.673 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.888 -3.035 2.242 1.00 0.00 H new ATOM 703 N ASP A 49 10.876 1.698 3.503 1.00 0.00 N ATOM 704 CA ASP A 49 11.578 2.704 4.283 1.00 0.00 C ATOM 705 C ASP A 49 12.156 2.055 5.542 1.00 0.00 C ATOM 706 O ASP A 49 13.370 2.052 5.741 1.00 0.00 O ATOM 707 CB ASP A 49 10.629 3.822 4.720 1.00 0.00 C ATOM 708 CG ASP A 49 11.313 5.134 5.108 1.00 0.00 C ATOM 709 OD1 ASP A 49 12.097 5.100 6.081 1.00 0.00 O ATOM 710 OD2 ASP A 49 11.035 6.143 4.424 1.00 0.00 O ATOM 0 H ASP A 49 11.334 1.440 2.629 1.00 0.00 H new ATOM 0 HA ASP A 49 12.368 3.124 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.928 4.021 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.043 3.470 5.569 1.00 0.00 H new ATOM 715 N ASP A 50 11.261 1.521 6.359 1.00 0.00 N ATOM 716 CA ASP A 50 11.667 0.870 7.593 1.00 0.00 C ATOM 717 C ASP A 50 10.424 0.389 8.344 1.00 0.00 C ATOM 718 O ASP A 50 9.749 1.178 9.003 1.00 0.00 O ATOM 719 CB ASP A 50 12.424 1.840 8.503 1.00 0.00 C ATOM 720 CG ASP A 50 13.117 1.192 9.703 1.00 0.00 C ATOM 721 OD1 ASP A 50 12.572 0.181 10.196 1.00 0.00 O ATOM 722 OD2 ASP A 50 14.176 1.724 10.102 1.00 0.00 O ATOM 0 H ASP A 50 10.255 1.526 6.191 1.00 0.00 H new ATOM 0 HA ASP A 50 12.318 0.034 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.173 2.363 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.725 2.592 8.869 1.00 0.00 H new ATOM 727 N LEU A 51 10.160 -0.903 8.219 1.00 0.00 N ATOM 728 CA LEU A 51 9.010 -1.499 8.878 1.00 0.00 C ATOM 729 C LEU A 51 9.375 -2.905 9.358 1.00 0.00 C ATOM 730 O LEU A 51 9.277 -3.869 8.600 1.00 0.00 O ATOM 731 CB LEU A 51 7.787 -1.461 7.959 1.00 0.00 C ATOM 732 CG LEU A 51 7.228 -0.072 7.642 1.00 0.00 C ATOM 733 CD1 LEU A 51 6.706 -0.006 6.206 1.00 0.00 C ATOM 734 CD2 LEU A 51 6.161 0.335 8.660 1.00 0.00 C ATOM 0 H LEU A 51 10.723 -1.554 7.671 1.00 0.00 H new ATOM 0 HA LEU A 51 8.735 -0.922 9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.048 -1.949 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.995 -2.054 8.417 1.00 0.00 H new ATOM 0 HG LEU A 51 8.041 0.650 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.314 0.992 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.519 -0.222 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.912 -0.741 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.780 1.326 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.343 -0.385 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.599 0.354 9.658 1.00 0.00 H new ATOM 746 N ASP A 52 9.787 -2.977 10.615 1.00 0.00 N ATOM 747 CA ASP A 52 10.167 -4.249 11.206 1.00 0.00 C ATOM 748 C ASP A 52 9.923 -4.199 12.716 1.00 0.00 C ATOM 749 O ASP A 52 9.201 -5.032 13.260 1.00 0.00 O ATOM 750 CB ASP A 52 11.651 -4.542 10.976 1.00 0.00 C ATOM 751 CG ASP A 52 11.958 -5.397 9.745 1.00 0.00 C ATOM 752 OD1 ASP A 52 11.581 -6.589 9.773 1.00 0.00 O ATOM 753 OD2 ASP A 52 12.562 -4.840 8.803 1.00 0.00 O ATOM 0 H ASP A 52 9.866 -2.175 11.241 1.00 0.00 H new ATOM 0 HA ASP A 52 9.568 -5.030 10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.183 -3.595 10.884 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.047 -5.046 11.858 1.00 0.00 H new ATOM 758 N ALA A 53 10.541 -3.212 13.350 1.00 0.00 N ATOM 759 CA ALA A 53 10.401 -3.042 14.786 1.00 0.00 C ATOM 760 C ALA A 53 9.224 -2.107 15.071 1.00 0.00 C ATOM 761 O ALA A 53 9.338 -0.892 14.911 1.00 0.00 O ATOM 762 CB ALA A 53 11.715 -2.520 15.369 1.00 0.00 C ATOM 0 H ALA A 53 11.139 -2.523 12.895 1.00 0.00 H new ATOM 0 HA ALA A 53 10.188 -3.997 15.267 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.610 -2.392 16.446 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.513 -3.234 15.164 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.960 -1.561 14.912 1.00 0.00 H new ATOM 768 N GLU A 54 8.120 -2.708 15.490 1.00 0.00 N ATOM 769 CA GLU A 54 6.923 -1.944 15.800 1.00 0.00 C ATOM 770 C GLU A 54 7.116 -1.159 17.099 1.00 0.00 C ATOM 771 O GLU A 54 8.057 -1.414 17.849 1.00 0.00 O ATOM 772 CB GLU A 54 5.698 -2.855 15.887 1.00 0.00 C ATOM 773 CG GLU A 54 5.337 -3.422 14.512 1.00 0.00 C ATOM 774 CD GLU A 54 4.042 -4.234 14.576 1.00 0.00 C ATOM 775 OE1 GLU A 54 2.970 -3.603 14.456 1.00 0.00 O ATOM 776 OE2 GLU A 54 4.153 -5.468 14.744 1.00 0.00 O ATOM 0 H GLU A 54 8.029 -3.715 15.622 1.00 0.00 H new ATOM 0 HA GLU A 54 6.750 -1.234 14.991 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.897 -3.672 16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.852 -2.296 16.287 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.224 -2.607 13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.149 -4.053 14.151 1.00 0.00 H new ATOM 783 N ALA A 55 6.210 -0.219 17.325 1.00 0.00 N ATOM 784 CA ALA A 55 6.269 0.605 18.520 1.00 0.00 C ATOM 785 C ALA A 55 4.879 0.673 19.156 1.00 0.00 C ATOM 786 O ALA A 55 4.689 0.235 20.289 1.00 0.00 O ATOM 787 CB ALA A 55 6.813 1.989 18.160 1.00 0.00 C ATOM 0 H ALA A 55 5.431 -0.010 16.701 1.00 0.00 H new ATOM 0 HA ALA A 55 6.947 0.169 19.254 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.857 2.607 19.057 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.813 1.889 17.739 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.157 2.459 17.428 1.00 0.00 H new ATOM 793 N ALA A 56 3.943 1.226 18.399 1.00 0.00 N ATOM 794 CA ALA A 56 2.576 1.357 18.874 1.00 0.00 C ATOM 795 C ALA A 56 2.565 2.190 20.158 1.00 0.00 C ATOM 796 O ALA A 56 2.466 1.644 21.255 1.00 0.00 O ATOM 797 CB ALA A 56 1.970 -0.033 19.076 1.00 0.00 C ATOM 0 H ALA A 56 4.104 1.589 17.459 1.00 0.00 H new ATOM 0 HA ALA A 56 1.962 1.876 18.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.945 0.065 19.432 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.975 -0.573 18.129 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.558 -0.583 19.811 1.00 0.00 H new ATOM 803 N MET A 57 2.668 3.498 19.977 1.00 0.00 N ATOM 804 CA MET A 57 2.670 4.412 21.107 1.00 0.00 C ATOM 805 C MET A 57 1.339 4.358 21.859 1.00 0.00 C ATOM 806 O MET A 57 0.320 3.960 21.297 1.00 0.00 O ATOM 807 CB MET A 57 2.919 5.838 20.611 1.00 0.00 C ATOM 808 CG MET A 57 4.398 6.054 20.284 1.00 0.00 C ATOM 809 SD MET A 57 5.300 6.456 21.771 1.00 0.00 S ATOM 810 CE MET A 57 6.056 4.875 22.112 1.00 0.00 C ATOM 0 H MET A 57 2.751 3.947 19.065 1.00 0.00 H new ATOM 0 HA MET A 57 3.464 4.112 21.791 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.315 6.029 19.724 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.603 6.552 21.372 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.813 5.155 19.829 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.504 6.858 19.556 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.787 4.552 23.118 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.704 4.140 21.388 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.140 4.966 22.038 1.00 0.00 H new ATOM 820 N SER A 58 1.390 4.764 23.119 1.00 0.00 N ATOM 821 CA SER A 58 0.201 4.768 23.954 1.00 0.00 C ATOM 822 C SER A 58 -0.274 6.204 24.183 1.00 0.00 C ATOM 823 O SER A 58 0.477 7.153 23.962 1.00 0.00 O ATOM 824 CB SER A 58 0.466 4.077 25.293 1.00 0.00 C ATOM 825 OG SER A 58 1.268 4.877 26.157 1.00 0.00 O ATOM 0 H SER A 58 2.237 5.093 23.582 1.00 0.00 H new ATOM 0 HA SER A 58 -0.581 4.212 23.437 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.483 3.856 25.781 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.963 3.123 25.117 1.00 0.00 H new ATOM 0 HG SER A 58 1.413 4.402 27.002 1.00 0.00 H new ATOM 831 N GLY A 59 -1.519 6.319 24.622 1.00 0.00 N ATOM 832 CA GLY A 59 -2.103 7.623 24.883 1.00 0.00 C ATOM 833 C GLY A 59 -3.516 7.717 24.305 1.00 0.00 C ATOM 834 O GLY A 59 -4.080 6.715 23.869 1.00 0.00 O ATOM 0 H GLY A 59 -2.139 5.530 24.803 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.133 7.803 25.958 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.475 8.400 24.447 1.00 0.00 H new ATOM 838 N PRO A 60 -4.062 8.963 24.320 1.00 0.00 N ATOM 839 CA PRO A 60 -5.399 9.200 23.802 1.00 0.00 C ATOM 840 C PRO A 60 -5.406 9.178 22.272 1.00 0.00 C ATOM 841 O PRO A 60 -6.206 8.470 21.662 1.00 0.00 O ATOM 842 CB PRO A 60 -5.811 10.545 24.379 1.00 0.00 C ATOM 843 CG PRO A 60 -4.522 11.223 24.816 1.00 0.00 C ATOM 844 CD PRO A 60 -3.424 10.173 24.828 1.00 0.00 C ATOM 0 HA PRO A 60 -6.107 8.423 24.092 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.335 11.145 23.635 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.490 10.417 25.222 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.267 12.034 24.134 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.639 11.664 25.806 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.584 10.471 24.200 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.032 10.022 25.834 1.00 0.00 H new ATOM 852 N SER A 61 -4.507 9.962 21.697 1.00 0.00 N ATOM 853 CA SER A 61 -4.400 10.041 20.250 1.00 0.00 C ATOM 854 C SER A 61 -3.389 9.011 19.743 1.00 0.00 C ATOM 855 O SER A 61 -3.721 8.169 18.910 1.00 0.00 O ATOM 856 CB SER A 61 -3.993 11.447 19.804 1.00 0.00 C ATOM 857 OG SER A 61 -5.124 12.286 19.587 1.00 0.00 O ATOM 0 H SER A 61 -3.846 10.548 22.206 1.00 0.00 H new ATOM 0 HA SER A 61 -5.378 9.822 19.822 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.349 11.895 20.561 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.409 11.381 18.886 1.00 0.00 H new ATOM 0 HG SER A 61 -4.823 13.175 19.305 1.00 0.00 H new ATOM 863 N SER A 62 -2.176 9.111 20.266 1.00 0.00 N ATOM 864 CA SER A 62 -1.115 8.198 19.877 1.00 0.00 C ATOM 865 C SER A 62 -0.801 8.365 18.389 1.00 0.00 C ATOM 866 O SER A 62 -1.580 7.944 17.535 1.00 0.00 O ATOM 867 CB SER A 62 -1.498 6.747 20.179 1.00 0.00 C ATOM 868 OG SER A 62 -1.764 6.543 21.563 1.00 0.00 O ATOM 0 H SER A 62 -1.904 9.811 20.956 1.00 0.00 H new ATOM 0 HA SER A 62 -0.226 8.439 20.459 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.379 6.476 19.597 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.691 6.086 19.863 1.00 0.00 H new ATOM 0 HG SER A 62 -2.006 5.606 21.715 1.00 0.00 H new ATOM 874 N GLY A 63 0.343 8.980 18.124 1.00 0.00 N ATOM 875 CA GLY A 63 0.770 9.208 16.754 1.00 0.00 C ATOM 876 C GLY A 63 2.289 9.364 16.672 1.00 0.00 C ATOM 877 O GLY A 63 2.812 10.469 16.806 1.00 0.00 O ATOM 0 H GLY A 63 0.987 9.327 18.835 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.452 8.375 16.127 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.287 10.104 16.363 1.00 0.00 H new TER 881 GLY A 63