USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0505 (180deg=-0.41) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 52:sc= 0.0178 USER MOD Single : A 10 HIS : no HD1:sc= -3.61! K(o=-3.6!,f=-1.5) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.25! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.69! C(o=-7.7!,f=-17!) USER MOD Single : A 33 MET CE :methyl -161:sc= -9.49! (180deg=-10.7!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 38 THR OG1 : rot 29:sc= 0.464 USER MOD Single : A 48 THR OG1 : rot -74:sc= -6.17! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0041 USER MOD Single : A 56 CYS SG : rot -51:sc= -14.2! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -162:sc=-0.00112 (180deg=-0.62) USER MOD Single : A 61 HIS : no HE2:sc= -8.71! C(o=-8.7!,f=-15!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 174:sc= -0.346 USER MOD Single : A 75 TYR OH : rot -176:sc= -11.1! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.530 12.334 1.947 1.00 0.00 N ATOM 2 CA MET A 1 -16.981 12.167 0.571 1.00 0.00 C ATOM 3 C MET A 1 -16.635 10.694 0.337 1.00 0.00 C ATOM 4 O MET A 1 -16.497 9.923 1.266 1.00 0.00 O ATOM 5 CB MET A 1 -15.720 13.020 0.419 1.00 0.00 C ATOM 6 CG MET A 1 -16.065 14.490 0.668 1.00 0.00 C ATOM 7 SD MET A 1 -15.270 15.048 2.196 1.00 0.00 S ATOM 8 CE MET A 1 -15.515 16.824 1.947 1.00 0.00 C ATOM 0 H1 MET A 1 -18.420 12.869 1.903 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.709 11.399 2.365 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.844 12.850 2.534 1.00 0.00 H new ATOM 0 HA MET A 1 -17.724 12.486 -0.160 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.958 12.690 1.125 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.304 12.897 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.731 15.100 -0.172 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.145 14.613 0.742 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.092 17.371 2.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.020 17.134 1.027 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.581 17.038 1.875 1.00 0.00 H new ATOM 20 N THR A 2 -16.494 10.296 -0.900 1.00 0.00 N ATOM 21 CA THR A 2 -16.159 8.873 -1.191 1.00 0.00 C ATOM 22 C THR A 2 -14.916 8.468 -0.393 1.00 0.00 C ATOM 23 O THR A 2 -13.819 8.908 -0.672 1.00 0.00 O ATOM 24 CB THR A 2 -15.881 8.711 -2.687 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.242 7.461 -2.914 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.973 9.845 -3.164 1.00 0.00 C ATOM 0 H THR A 2 -16.596 10.895 -1.720 1.00 0.00 H new ATOM 0 HA THR A 2 -16.996 8.236 -0.906 1.00 0.00 H new ATOM 0 HB THR A 2 -16.820 8.745 -3.239 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.064 7.354 -3.872 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.775 9.729 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.463 10.802 -2.988 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.032 9.813 -2.615 1.00 0.00 H new ATOM 34 N ASP A 3 -15.081 7.636 0.598 1.00 0.00 N ATOM 35 CA ASP A 3 -13.910 7.208 1.413 1.00 0.00 C ATOM 36 C ASP A 3 -13.661 5.711 1.217 1.00 0.00 C ATOM 37 O ASP A 3 -14.280 4.881 1.853 1.00 0.00 O ATOM 38 CB ASP A 3 -14.190 7.487 2.891 1.00 0.00 C ATOM 39 CG ASP A 3 -14.188 8.997 3.138 1.00 0.00 C ATOM 40 OD1 ASP A 3 -14.153 9.735 2.167 1.00 0.00 O ATOM 41 OD2 ASP A 3 -14.221 9.389 4.292 1.00 0.00 O ATOM 0 H ASP A 3 -15.976 7.234 0.878 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.028 7.764 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.153 7.063 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.434 7.006 3.512 1.00 0.00 H new ATOM 46 N LEU A 4 -12.753 5.357 0.348 1.00 0.00 N ATOM 47 CA LEU A 4 -12.458 3.913 0.123 1.00 0.00 C ATOM 48 C LEU A 4 -11.393 3.455 1.124 1.00 0.00 C ATOM 49 O LEU A 4 -11.125 2.279 1.271 1.00 0.00 O ATOM 50 CB LEU A 4 -11.939 3.714 -1.303 1.00 0.00 C ATOM 51 CG LEU A 4 -12.965 4.255 -2.301 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.400 4.155 -3.718 1.00 0.00 C ATOM 53 CD2 LEU A 4 -14.251 3.433 -2.205 1.00 0.00 C ATOM 0 H LEU A 4 -12.203 6.005 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.367 3.327 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.987 4.229 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.757 2.656 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.182 5.298 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.131 4.540 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.483 4.741 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.183 3.112 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.983 3.818 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.034 2.390 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.654 3.505 -1.195 1.00 0.00 H new ATOM 65 N PHE A 5 -10.787 4.383 1.813 1.00 0.00 N ATOM 66 CA PHE A 5 -9.739 4.027 2.808 1.00 0.00 C ATOM 67 C PHE A 5 -10.392 3.703 4.152 1.00 0.00 C ATOM 68 O PHE A 5 -9.742 3.697 5.179 1.00 0.00 O ATOM 69 CB PHE A 5 -8.779 5.205 2.977 1.00 0.00 C ATOM 70 CG PHE A 5 -7.655 5.101 1.969 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.756 4.233 0.876 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.507 5.877 2.127 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.705 4.150 -0.049 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.472 5.787 1.194 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.565 4.930 0.114 1.00 0.00 C ATOM 0 H PHE A 5 -10.976 5.382 1.727 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.188 3.154 2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.315 6.145 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.373 5.212 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.641 3.628 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.419 6.547 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.781 3.478 -0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.588 6.395 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.757 4.866 -0.600 1.00 0.00 H new ATOM 85 N SER A 6 -11.674 3.446 4.153 1.00 0.00 N ATOM 86 CA SER A 6 -12.377 3.122 5.429 1.00 0.00 C ATOM 87 C SER A 6 -11.533 2.142 6.247 1.00 0.00 C ATOM 88 O SER A 6 -10.512 1.663 5.799 1.00 0.00 O ATOM 89 CB SER A 6 -13.731 2.485 5.115 1.00 0.00 C ATOM 90 OG SER A 6 -14.494 3.375 4.311 1.00 0.00 O ATOM 0 H SER A 6 -12.266 3.447 3.322 1.00 0.00 H new ATOM 0 HA SER A 6 -12.526 4.037 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.588 1.538 4.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.265 2.263 6.039 1.00 0.00 H new ATOM 0 HG SER A 6 -15.362 2.969 4.107 1.00 0.00 H new ATOM 96 N SER A 7 -11.952 1.831 7.443 1.00 0.00 N ATOM 97 CA SER A 7 -11.160 0.891 8.282 1.00 0.00 C ATOM 98 C SER A 7 -10.750 -0.322 7.437 1.00 0.00 C ATOM 99 O SER A 7 -11.557 -1.191 7.172 1.00 0.00 O ATOM 100 CB SER A 7 -12.015 0.421 9.459 1.00 0.00 C ATOM 101 OG SER A 7 -13.371 0.318 9.042 1.00 0.00 O ATOM 0 H SER A 7 -12.806 2.186 7.873 1.00 0.00 H new ATOM 0 HA SER A 7 -10.269 1.396 8.655 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.659 -0.544 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.930 1.123 10.289 1.00 0.00 H new ATOM 0 HG SER A 7 -13.423 -0.225 8.228 1.00 0.00 H new ATOM 107 N PRO A 8 -9.501 -0.336 7.031 1.00 0.00 N ATOM 108 CA PRO A 8 -8.945 -1.420 6.201 1.00 0.00 C ATOM 109 C PRO A 8 -8.691 -2.663 7.055 1.00 0.00 C ATOM 110 O PRO A 8 -8.833 -2.639 8.261 1.00 0.00 O ATOM 111 CB PRO A 8 -7.634 -0.833 5.670 1.00 0.00 C ATOM 112 CG PRO A 8 -7.234 0.295 6.648 1.00 0.00 C ATOM 113 CD PRO A 8 -8.521 0.719 7.377 1.00 0.00 C ATOM 0 HA PRO A 8 -9.612 -1.736 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.858 -1.597 5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.763 -0.444 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.484 -0.055 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.797 1.137 6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.366 0.781 8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.860 1.701 7.047 1.00 0.00 H new ATOM 121 N ASP A 9 -8.308 -3.747 6.441 1.00 0.00 N ATOM 122 CA ASP A 9 -8.034 -4.983 7.223 1.00 0.00 C ATOM 123 C ASP A 9 -6.596 -4.939 7.738 1.00 0.00 C ATOM 124 O ASP A 9 -6.246 -5.600 8.695 1.00 0.00 O ATOM 125 CB ASP A 9 -8.213 -6.206 6.322 1.00 0.00 C ATOM 126 CG ASP A 9 -9.688 -6.355 5.948 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.108 -5.704 5.006 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.373 -7.117 6.610 1.00 0.00 O ATOM 0 H ASP A 9 -8.173 -3.830 5.433 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.725 -5.048 8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.608 -6.099 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.865 -7.103 6.835 1.00 0.00 H new ATOM 133 N HIS A 10 -5.758 -4.168 7.101 1.00 0.00 N ATOM 134 CA HIS A 10 -4.339 -4.083 7.540 1.00 0.00 C ATOM 135 C HIS A 10 -3.818 -2.664 7.302 1.00 0.00 C ATOM 136 O HIS A 10 -4.497 -1.841 6.731 1.00 0.00 O ATOM 137 CB HIS A 10 -3.513 -5.066 6.716 1.00 0.00 C ATOM 138 CG HIS A 10 -3.654 -6.444 7.297 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.595 -7.114 7.889 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.730 -7.293 7.386 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.051 -8.309 8.304 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.347 -8.470 8.022 1.00 0.00 N ATOM 0 H HIS A 10 -5.997 -3.592 6.294 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.262 -4.325 8.600 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.848 -5.060 5.679 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.465 -4.766 6.714 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.723 -7.080 7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.444 -9.049 8.804 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.930 -9.281 8.228 1.00 0.00 H new ATOM 150 N THR A 11 -2.621 -2.367 7.738 1.00 0.00 N ATOM 151 CA THR A 11 -2.072 -1.001 7.524 1.00 0.00 C ATOM 152 C THR A 11 -0.560 -1.080 7.288 1.00 0.00 C ATOM 153 O THR A 11 0.091 -2.036 7.658 1.00 0.00 O ATOM 154 CB THR A 11 -2.330 -0.158 8.765 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.711 -0.208 9.095 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.912 1.291 8.505 1.00 0.00 C ATOM 0 H THR A 11 -2.004 -3.012 8.231 1.00 0.00 H new ATOM 0 HA THR A 11 -2.555 -0.552 6.656 1.00 0.00 H new ATOM 0 HB THR A 11 -1.746 -0.553 9.596 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.876 0.334 9.895 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.099 1.889 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.850 1.325 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.489 1.692 7.671 1.00 0.00 H new ATOM 164 N LEU A 12 0.001 -0.067 6.687 1.00 0.00 N ATOM 165 CA LEU A 12 1.474 -0.056 6.436 1.00 0.00 C ATOM 166 C LEU A 12 1.992 1.374 6.485 1.00 0.00 C ATOM 167 O LEU A 12 1.712 2.159 5.614 1.00 0.00 O ATOM 168 CB LEU A 12 1.780 -0.606 5.041 1.00 0.00 C ATOM 169 CG LEU A 12 3.239 -0.264 4.642 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.170 -0.519 5.829 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.668 -1.160 3.482 1.00 0.00 C ATOM 0 H LEU A 12 -0.498 0.759 6.357 1.00 0.00 H new ATOM 0 HA LEU A 12 1.952 -0.671 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.635 -1.686 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.087 -0.182 4.314 1.00 0.00 H new ATOM 0 HG LEU A 12 3.294 0.784 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.195 -0.278 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.869 0.107 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.111 -1.568 6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.693 -0.922 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.609 -2.205 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.008 -0.993 2.630 1.00 0.00 H new ATOM 183 N ASP A 13 2.784 1.711 7.453 1.00 0.00 N ATOM 184 CA ASP A 13 3.344 3.085 7.475 1.00 0.00 C ATOM 185 C ASP A 13 4.552 3.085 6.540 1.00 0.00 C ATOM 186 O ASP A 13 5.304 2.133 6.507 1.00 0.00 O ATOM 187 CB ASP A 13 3.786 3.446 8.895 1.00 0.00 C ATOM 188 CG ASP A 13 4.627 4.721 8.857 1.00 0.00 C ATOM 189 OD1 ASP A 13 5.709 4.677 8.294 1.00 0.00 O ATOM 190 OD2 ASP A 13 4.177 5.721 9.392 1.00 0.00 O ATOM 0 H ASP A 13 3.067 1.105 8.223 1.00 0.00 H new ATOM 0 HA ASP A 13 2.601 3.816 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.914 3.591 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.364 2.629 9.326 1.00 0.00 H new ATOM 195 N ALA A 14 4.766 4.123 5.780 1.00 0.00 N ATOM 196 CA ALA A 14 5.948 4.112 4.878 1.00 0.00 C ATOM 197 C ALA A 14 6.508 5.532 4.807 1.00 0.00 C ATOM 198 O ALA A 14 7.260 5.933 3.913 1.00 0.00 O ATOM 199 CB ALA A 14 5.551 3.556 3.518 1.00 0.00 C ATOM 0 H ALA A 14 4.186 4.962 5.744 1.00 0.00 H new ATOM 0 HA ALA A 14 6.734 3.460 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.420 3.550 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.177 2.539 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.771 4.181 3.083 1.00 0.00 H new ATOM 205 N LEU A 15 6.153 6.276 5.806 1.00 0.00 N ATOM 206 CA LEU A 15 6.633 7.648 5.964 1.00 0.00 C ATOM 207 C LEU A 15 8.021 7.545 6.564 1.00 0.00 C ATOM 208 O LEU A 15 8.205 7.099 7.680 1.00 0.00 O ATOM 209 CB LEU A 15 5.700 8.387 6.900 1.00 0.00 C ATOM 210 CG LEU A 15 4.276 7.844 6.753 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.287 8.799 7.414 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.934 7.708 5.268 1.00 0.00 C ATOM 0 H LEU A 15 5.522 5.967 6.546 1.00 0.00 H new ATOM 0 HA LEU A 15 6.663 8.189 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.038 8.272 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.717 9.454 6.677 1.00 0.00 H new ATOM 0 HG LEU A 15 4.212 6.869 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.276 8.407 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.527 8.896 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.350 9.777 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.920 7.321 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.002 8.684 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.636 7.021 4.794 1.00 0.00 H new ATOM 224 N GLY A 16 8.996 7.888 5.803 1.00 0.00 N ATOM 225 CA GLY A 16 10.394 7.748 6.278 1.00 0.00 C ATOM 226 C GLY A 16 10.893 6.375 5.814 1.00 0.00 C ATOM 227 O GLY A 16 12.035 6.012 6.014 1.00 0.00 O ATOM 0 H GLY A 16 8.894 8.264 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.020 8.543 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.442 7.828 7.364 1.00 0.00 H new ATOM 231 N LEU A 17 10.031 5.621 5.169 1.00 0.00 N ATOM 232 CA LEU A 17 10.415 4.290 4.653 1.00 0.00 C ATOM 233 C LEU A 17 10.812 4.465 3.217 1.00 0.00 C ATOM 234 O LEU A 17 10.281 5.300 2.525 1.00 0.00 O ATOM 235 CB LEU A 17 9.219 3.346 4.676 1.00 0.00 C ATOM 236 CG LEU A 17 8.813 3.010 6.103 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.198 1.617 6.103 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.026 3.007 7.019 1.00 0.00 C ATOM 0 H LEU A 17 9.064 5.887 4.981 1.00 0.00 H new ATOM 0 HA LEU A 17 11.219 3.880 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.379 3.805 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.465 2.430 4.139 1.00 0.00 H new ATOM 0 HG LEU A 17 8.104 3.756 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.898 1.352 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.325 1.605 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.931 0.896 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.714 2.765 8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.742 2.262 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.493 3.992 7.008 1.00 0.00 H new ATOM 250 N ARG A 18 11.710 3.690 2.742 1.00 0.00 N ATOM 251 CA ARG A 18 12.079 3.853 1.326 1.00 0.00 C ATOM 252 C ARG A 18 12.355 2.499 0.717 1.00 0.00 C ATOM 253 O ARG A 18 12.811 1.592 1.379 1.00 0.00 O ATOM 254 CB ARG A 18 13.283 4.762 1.211 1.00 0.00 C ATOM 255 CG ARG A 18 14.309 4.409 2.290 1.00 0.00 C ATOM 256 CD ARG A 18 15.566 3.841 1.630 1.00 0.00 C ATOM 257 NE ARG A 18 16.253 2.920 2.578 1.00 0.00 N ATOM 258 CZ ARG A 18 17.250 3.351 3.300 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.021 4.031 4.391 1.00 0.00 N ATOM 260 NH2 ARG A 18 18.477 3.100 2.933 1.00 0.00 N ATOM 0 H ARG A 18 12.203 2.959 3.255 1.00 0.00 H new ATOM 0 HA ARG A 18 11.255 4.313 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.732 4.661 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.975 5.802 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.560 5.295 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.888 3.681 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.301 3.308 0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.237 4.651 1.343 1.00 0.00 H new ATOM 0 HE ARG A 18 15.944 1.952 2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.062 4.225 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.801 4.368 4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.656 2.567 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.257 3.437 3.497 1.00 0.00 H new ATOM 274 N CYS A 19 12.081 2.349 -0.532 1.00 0.00 N ATOM 275 CA CYS A 19 12.314 1.030 -1.176 1.00 0.00 C ATOM 276 C CYS A 19 13.699 0.536 -0.783 1.00 0.00 C ATOM 277 O CYS A 19 14.629 1.313 -0.704 1.00 0.00 O ATOM 278 CB CYS A 19 12.224 1.181 -2.691 1.00 0.00 C ATOM 279 SG CYS A 19 12.880 -0.300 -3.503 1.00 0.00 S ATOM 0 H CYS A 19 11.706 3.075 -1.142 1.00 0.00 H new ATOM 0 HA CYS A 19 11.562 0.312 -0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.187 1.339 -2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.785 2.059 -3.011 1.00 0.00 H new ATOM 0 HG CYS A 19 12.796 -0.161 -4.793 1.00 0.00 H new ATOM 285 N PRO A 20 13.805 -0.746 -0.554 1.00 0.00 N ATOM 286 CA PRO A 20 12.682 -1.713 -0.645 1.00 0.00 C ATOM 287 C PRO A 20 11.924 -1.838 0.692 1.00 0.00 C ATOM 288 O PRO A 20 11.072 -2.681 0.844 1.00 0.00 O ATOM 289 CB PRO A 20 13.397 -3.036 -0.909 1.00 0.00 C ATOM 290 CG PRO A 20 14.830 -2.871 -0.345 1.00 0.00 C ATOM 291 CD PRO A 20 15.092 -1.364 -0.206 1.00 0.00 C ATOM 0 HA PRO A 20 11.951 -1.418 -1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.879 -3.862 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.421 -3.260 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.923 -3.368 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.561 -3.329 -1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.399 -1.104 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.887 -1.034 -0.874 1.00 0.00 H new ATOM 299 N GLU A 21 12.286 -1.065 1.674 1.00 0.00 N ATOM 300 CA GLU A 21 11.648 -1.185 3.038 1.00 0.00 C ATOM 301 C GLU A 21 10.116 -1.103 3.035 1.00 0.00 C ATOM 302 O GLU A 21 9.466 -1.910 3.670 1.00 0.00 O ATOM 303 CB GLU A 21 12.202 -0.106 3.957 1.00 0.00 C ATOM 304 CG GLU A 21 13.577 -0.529 4.479 1.00 0.00 C ATOM 305 CD GLU A 21 14.579 0.607 4.259 1.00 0.00 C ATOM 306 OE1 GLU A 21 14.146 1.744 4.171 1.00 0.00 O ATOM 307 OE2 GLU A 21 15.763 0.319 4.183 1.00 0.00 O ATOM 0 H GLU A 21 13.003 -0.343 1.602 1.00 0.00 H new ATOM 0 HA GLU A 21 11.900 -2.184 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.282 0.838 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.521 0.059 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.516 -0.774 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.912 -1.429 3.963 1.00 0.00 H new ATOM 314 N PRO A 22 9.575 -0.148 2.353 1.00 0.00 N ATOM 315 CA PRO A 22 8.118 0.033 2.294 1.00 0.00 C ATOM 316 C PRO A 22 7.536 -1.107 1.489 1.00 0.00 C ATOM 317 O PRO A 22 6.814 -1.943 1.992 1.00 0.00 O ATOM 318 CB PRO A 22 7.954 1.384 1.607 1.00 0.00 C ATOM 319 CG PRO A 22 9.273 1.656 0.854 1.00 0.00 C ATOM 320 CD PRO A 22 10.344 0.809 1.556 1.00 0.00 C ATOM 0 HA PRO A 22 7.608 0.024 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.110 1.369 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.755 2.169 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.186 1.382 -0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.530 2.715 0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.987 0.303 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.990 1.423 2.184 1.00 0.00 H new ATOM 328 N VAL A 23 7.890 -1.175 0.253 1.00 0.00 N ATOM 329 CA VAL A 23 7.419 -2.303 -0.580 1.00 0.00 C ATOM 330 C VAL A 23 7.665 -3.596 0.198 1.00 0.00 C ATOM 331 O VAL A 23 7.009 -4.597 -0.012 1.00 0.00 O ATOM 332 CB VAL A 23 8.245 -2.346 -1.858 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.909 -3.613 -2.644 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.938 -1.114 -2.711 1.00 0.00 C ATOM 0 H VAL A 23 8.487 -0.499 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 23 6.362 -2.188 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 23 9.305 -2.351 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.501 -3.642 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.136 -4.489 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.849 -3.613 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.531 -1.147 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.878 -1.103 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.186 -0.213 -2.151 1.00 0.00 H new ATOM 344 N MET A 24 8.626 -3.582 1.093 1.00 0.00 N ATOM 345 CA MET A 24 8.931 -4.812 1.880 1.00 0.00 C ATOM 346 C MET A 24 7.825 -5.060 2.905 1.00 0.00 C ATOM 347 O MET A 24 7.391 -6.177 3.105 1.00 0.00 O ATOM 348 CB MET A 24 10.262 -4.630 2.610 1.00 0.00 C ATOM 349 CG MET A 24 11.410 -5.101 1.715 1.00 0.00 C ATOM 350 SD MET A 24 12.185 -6.563 2.448 1.00 0.00 S ATOM 351 CE MET A 24 13.028 -7.145 0.956 1.00 0.00 C ATOM 0 H MET A 24 9.208 -2.773 1.309 1.00 0.00 H new ATOM 0 HA MET A 24 8.994 -5.664 1.203 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.402 -3.582 2.876 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.258 -5.197 3.541 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.036 -5.336 0.718 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.146 -4.305 1.600 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.580 -8.057 1.183 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.292 -7.350 0.179 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.720 -6.379 0.607 1.00 0.00 H new ATOM 361 N MET A 25 7.368 -4.029 3.556 1.00 0.00 N ATOM 362 CA MET A 25 6.293 -4.211 4.568 1.00 0.00 C ATOM 363 C MET A 25 5.054 -4.778 3.886 1.00 0.00 C ATOM 364 O MET A 25 4.450 -5.708 4.367 1.00 0.00 O ATOM 365 CB MET A 25 5.957 -2.864 5.209 1.00 0.00 C ATOM 366 CG MET A 25 6.840 -2.652 6.440 1.00 0.00 C ATOM 367 SD MET A 25 8.156 -1.474 6.045 1.00 0.00 S ATOM 368 CE MET A 25 9.196 -1.805 7.489 1.00 0.00 C ATOM 0 H MET A 25 7.692 -3.070 3.432 1.00 0.00 H new ATOM 0 HA MET A 25 6.632 -4.900 5.342 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.114 -2.058 4.492 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.905 -2.837 5.493 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.241 -2.279 7.270 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.271 -3.601 6.759 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.084 -1.174 7.450 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.636 -1.588 8.398 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.496 -2.853 7.489 1.00 0.00 H new ATOM 378 N VAL A 26 4.672 -4.233 2.767 1.00 0.00 N ATOM 379 CA VAL A 26 3.471 -4.768 2.064 1.00 0.00 C ATOM 380 C VAL A 26 3.716 -6.227 1.705 1.00 0.00 C ATOM 381 O VAL A 26 2.799 -6.999 1.591 1.00 0.00 O ATOM 382 CB VAL A 26 3.218 -3.972 0.788 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.109 -4.634 -0.039 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.771 -2.564 1.152 1.00 0.00 C ATOM 0 H VAL A 26 5.134 -3.447 2.310 1.00 0.00 H new ATOM 0 HA VAL A 26 2.602 -4.684 2.716 1.00 0.00 H new ATOM 0 HB VAL A 26 4.140 -3.942 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.938 -4.056 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.409 -5.648 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.190 -4.670 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.590 -1.993 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.853 -2.614 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.549 -2.075 1.738 1.00 0.00 H new ATOM 394 N ARG A 27 4.944 -6.614 1.518 1.00 0.00 N ATOM 395 CA ARG A 27 5.217 -8.043 1.170 1.00 0.00 C ATOM 396 C ARG A 27 4.814 -8.928 2.339 1.00 0.00 C ATOM 397 O ARG A 27 4.054 -9.849 2.192 1.00 0.00 O ATOM 398 CB ARG A 27 6.705 -8.270 0.920 1.00 0.00 C ATOM 399 CG ARG A 27 6.950 -8.493 -0.569 1.00 0.00 C ATOM 400 CD ARG A 27 7.078 -9.992 -0.845 1.00 0.00 C ATOM 401 NE ARG A 27 7.947 -10.208 -2.035 1.00 0.00 N ATOM 402 CZ ARG A 27 8.051 -11.398 -2.561 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.410 -12.410 -1.819 1.00 0.00 N ATOM 404 NH2 ARG A 27 7.797 -11.576 -3.829 1.00 0.00 N ATOM 0 H ARG A 27 5.766 -6.014 1.589 1.00 0.00 H new ATOM 0 HA ARG A 27 4.650 -8.284 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.277 -7.410 1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.051 -9.133 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.129 -8.074 -1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.858 -7.976 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.501 -10.497 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.093 -10.426 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 27 8.461 -9.425 -2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.609 -12.271 -0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.491 -13.340 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.517 -10.785 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.878 -12.506 -4.240 1.00 0.00 H new ATOM 418 N LYS A 28 5.340 -8.647 3.495 1.00 0.00 N ATOM 419 CA LYS A 28 5.023 -9.464 4.707 1.00 0.00 C ATOM 420 C LYS A 28 3.524 -9.416 4.960 1.00 0.00 C ATOM 421 O LYS A 28 2.881 -10.423 5.156 1.00 0.00 O ATOM 422 CB LYS A 28 5.762 -8.889 5.918 1.00 0.00 C ATOM 423 CG LYS A 28 7.270 -9.060 5.725 1.00 0.00 C ATOM 424 CD LYS A 28 7.793 -10.113 6.705 1.00 0.00 C ATOM 425 CE LYS A 28 9.082 -9.609 7.357 1.00 0.00 C ATOM 426 NZ LYS A 28 8.774 -9.064 8.710 1.00 0.00 N ATOM 0 H LYS A 28 5.986 -7.875 3.659 1.00 0.00 H new ATOM 0 HA LYS A 28 5.338 -10.495 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.518 -7.834 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.441 -9.397 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.484 -9.363 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.779 -8.110 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.043 -10.318 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.980 -11.051 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.804 -10.422 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.538 -8.837 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.650 -8.721 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.100 -8.277 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.357 -9.813 9.299 1.00 0.00 H new ATOM 440 N THR A 29 2.972 -8.244 4.930 1.00 0.00 N ATOM 441 CA THR A 29 1.511 -8.074 5.131 1.00 0.00 C ATOM 442 C THR A 29 0.796 -8.830 4.018 1.00 0.00 C ATOM 443 O THR A 29 -0.233 -9.445 4.210 1.00 0.00 O ATOM 444 CB THR A 29 1.230 -6.573 5.033 1.00 0.00 C ATOM 445 OG1 THR A 29 1.301 -5.991 6.326 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.137 -6.283 4.405 1.00 0.00 C ATOM 0 H THR A 29 3.482 -7.375 4.771 1.00 0.00 H new ATOM 0 HA THR A 29 1.169 -8.457 6.092 1.00 0.00 H new ATOM 0 HB THR A 29 1.987 -6.134 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.123 -5.029 6.262 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.294 -5.205 4.356 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.171 -6.701 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.920 -6.736 5.013 1.00 0.00 H new ATOM 454 N VAL A 30 1.371 -8.796 2.860 1.00 0.00 N ATOM 455 CA VAL A 30 0.792 -9.504 1.696 1.00 0.00 C ATOM 456 C VAL A 30 0.915 -10.998 1.969 1.00 0.00 C ATOM 457 O VAL A 30 0.127 -11.806 1.520 1.00 0.00 O ATOM 458 CB VAL A 30 1.616 -9.128 0.460 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.510 -10.214 -0.599 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.113 -7.808 -0.134 1.00 0.00 C ATOM 0 H VAL A 30 2.238 -8.296 2.665 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.252 -9.238 1.532 1.00 0.00 H new ATOM 0 HB VAL A 30 2.656 -9.019 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.101 -9.931 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.886 -11.154 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.467 -10.336 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.708 -7.554 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.067 -7.914 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.206 -7.016 0.609 1.00 0.00 H new ATOM 470 N ARG A 31 1.911 -11.347 2.724 1.00 0.00 N ATOM 471 CA ARG A 31 2.141 -12.766 3.079 1.00 0.00 C ATOM 472 C ARG A 31 1.159 -13.148 4.180 1.00 0.00 C ATOM 473 O ARG A 31 0.763 -14.289 4.310 1.00 0.00 O ATOM 474 CB ARG A 31 3.569 -12.920 3.605 1.00 0.00 C ATOM 475 CG ARG A 31 4.580 -12.681 2.471 1.00 0.00 C ATOM 476 CD ARG A 31 5.977 -12.446 3.053 1.00 0.00 C ATOM 477 NE ARG A 31 6.090 -13.117 4.380 1.00 0.00 N ATOM 478 CZ ARG A 31 6.340 -14.395 4.445 1.00 0.00 C ATOM 479 NH1 ARG A 31 7.226 -14.926 3.647 1.00 0.00 N ATOM 480 NH2 ARG A 31 5.705 -15.143 5.305 1.00 0.00 N ATOM 0 H ARG A 31 2.589 -10.694 3.118 1.00 0.00 H new ATOM 0 HA ARG A 31 2.000 -13.406 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.745 -12.211 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.706 -13.919 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.597 -13.540 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.275 -11.819 1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.735 -12.835 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.162 -11.377 3.159 1.00 0.00 H new ATOM 0 HE ARG A 31 5.972 -12.576 5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.722 -14.341 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.423 -15.926 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.012 -14.728 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.902 -16.143 5.355 1.00 0.00 H new ATOM 494 N ASN A 32 0.757 -12.192 4.976 1.00 0.00 N ATOM 495 CA ASN A 32 -0.206 -12.498 6.070 1.00 0.00 C ATOM 496 C ASN A 32 -1.589 -11.964 5.697 1.00 0.00 C ATOM 497 O ASN A 32 -2.523 -12.040 6.470 1.00 0.00 O ATOM 498 CB ASN A 32 0.270 -11.856 7.379 1.00 0.00 C ATOM 499 CG ASN A 32 0.238 -10.330 7.261 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.525 -9.780 6.493 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.045 -9.618 7.999 1.00 0.00 N ATOM 0 H ASN A 32 1.053 -11.218 4.915 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.264 -13.578 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.367 -12.178 8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.282 -12.189 7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.034 -8.600 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.686 -10.079 8.644 1.00 0.00 H new ATOM 508 N MET A 33 -1.732 -11.431 4.512 1.00 0.00 N ATOM 509 CA MET A 33 -3.061 -10.906 4.092 1.00 0.00 C ATOM 510 C MET A 33 -3.862 -12.020 3.418 1.00 0.00 C ATOM 511 O MET A 33 -3.352 -13.083 3.128 1.00 0.00 O ATOM 512 CB MET A 33 -2.885 -9.743 3.108 1.00 0.00 C ATOM 513 CG MET A 33 -2.854 -8.420 3.878 1.00 0.00 C ATOM 514 SD MET A 33 -3.548 -7.100 2.850 1.00 0.00 S ATOM 515 CE MET A 33 -5.218 -7.783 2.682 1.00 0.00 C ATOM 0 H MET A 33 -0.988 -11.337 3.820 1.00 0.00 H new ATOM 0 HA MET A 33 -3.593 -10.550 4.974 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.962 -9.868 2.543 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.702 -9.737 2.387 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.424 -8.512 4.802 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.830 -8.175 4.159 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.715 -7.322 1.829 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.157 -8.860 2.528 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.788 -7.578 3.588 1.00 0.00 H new ATOM 525 N GLN A 34 -5.114 -11.774 3.164 1.00 0.00 N ATOM 526 CA GLN A 34 -5.969 -12.796 2.504 1.00 0.00 C ATOM 527 C GLN A 34 -6.602 -12.162 1.269 1.00 0.00 C ATOM 528 O GLN A 34 -6.772 -10.960 1.216 1.00 0.00 O ATOM 529 CB GLN A 34 -7.067 -13.252 3.470 1.00 0.00 C ATOM 530 CG GLN A 34 -6.429 -13.908 4.696 1.00 0.00 C ATOM 531 CD GLN A 34 -7.228 -15.153 5.083 1.00 0.00 C ATOM 532 OE1 GLN A 34 -7.246 -16.129 4.359 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.897 -15.163 6.204 1.00 0.00 N ATOM 0 H GLN A 34 -5.587 -10.899 3.388 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.371 -13.661 2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.674 -12.400 3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.734 -13.957 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.396 -14.179 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.407 -13.204 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.883 -14.345 6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.433 -15.989 6.471 1.00 0.00 H new ATOM 542 N PRO A 35 -6.923 -12.976 0.303 1.00 0.00 N ATOM 543 CA PRO A 35 -7.530 -12.492 -0.943 1.00 0.00 C ATOM 544 C PRO A 35 -8.956 -12.026 -0.674 1.00 0.00 C ATOM 545 O PRO A 35 -9.773 -12.746 -0.136 1.00 0.00 O ATOM 546 CB PRO A 35 -7.477 -13.705 -1.874 1.00 0.00 C ATOM 547 CG PRO A 35 -7.346 -14.945 -0.959 1.00 0.00 C ATOM 548 CD PRO A 35 -6.743 -14.440 0.369 1.00 0.00 C ATOM 0 HA PRO A 35 -7.018 -11.635 -1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.377 -13.766 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.631 -13.634 -2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.318 -15.410 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.705 -15.699 -1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.257 -14.868 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.691 -14.710 0.459 1.00 0.00 H new ATOM 556 N GLY A 36 -9.240 -10.804 -1.013 1.00 0.00 N ATOM 557 CA GLY A 36 -10.587 -10.242 -0.750 1.00 0.00 C ATOM 558 C GLY A 36 -10.478 -9.346 0.482 1.00 0.00 C ATOM 559 O GLY A 36 -11.463 -9.003 1.106 1.00 0.00 O ATOM 0 H GLY A 36 -8.588 -10.164 -1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.939 -9.671 -1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.309 -11.041 -0.581 1.00 0.00 H new ATOM 563 N GLU A 37 -9.274 -8.968 0.840 1.00 0.00 N ATOM 564 CA GLU A 37 -9.087 -8.101 2.035 1.00 0.00 C ATOM 565 C GLU A 37 -8.525 -6.750 1.596 1.00 0.00 C ATOM 566 O GLU A 37 -8.377 -6.488 0.421 1.00 0.00 O ATOM 567 CB GLU A 37 -8.108 -8.771 2.998 1.00 0.00 C ATOM 568 CG GLU A 37 -8.877 -9.655 3.981 1.00 0.00 C ATOM 569 CD GLU A 37 -9.679 -10.702 3.207 1.00 0.00 C ATOM 570 OE1 GLU A 37 -9.258 -11.055 2.116 1.00 0.00 O ATOM 571 OE2 GLU A 37 -10.700 -11.134 3.716 1.00 0.00 O ATOM 0 H GLU A 37 -8.415 -9.225 0.353 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.045 -7.953 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.388 -9.371 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.541 -8.014 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.184 -10.145 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.546 -9.045 4.588 1.00 0.00 H new ATOM 578 N THR A 38 -8.212 -5.886 2.526 1.00 0.00 N ATOM 579 CA THR A 38 -7.666 -4.556 2.134 1.00 0.00 C ATOM 580 C THR A 38 -6.525 -4.145 3.066 1.00 0.00 C ATOM 581 O THR A 38 -6.431 -4.585 4.194 1.00 0.00 O ATOM 582 CB THR A 38 -8.781 -3.513 2.188 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.729 -3.884 3.179 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.464 -3.436 0.822 1.00 0.00 C ATOM 0 H THR A 38 -8.310 -6.042 3.529 1.00 0.00 H new ATOM 0 HA THR A 38 -7.274 -4.622 1.119 1.00 0.00 H new ATOM 0 HB THR A 38 -8.362 -2.539 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.282 -4.398 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.261 -2.693 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.733 -3.151 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.886 -4.409 0.571 1.00 0.00 H new ATOM 592 N LEU A 39 -5.655 -3.301 2.583 1.00 0.00 N ATOM 593 CA LEU A 39 -4.499 -2.837 3.401 1.00 0.00 C ATOM 594 C LEU A 39 -4.268 -1.347 3.122 1.00 0.00 C ATOM 595 O LEU A 39 -3.963 -0.959 2.012 1.00 0.00 O ATOM 596 CB LEU A 39 -3.254 -3.630 2.986 1.00 0.00 C ATOM 597 CG LEU A 39 -1.990 -2.971 3.549 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.671 -3.564 4.918 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.821 -3.225 2.595 1.00 0.00 C ATOM 0 H LEU A 39 -5.697 -2.908 1.643 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.697 -2.989 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.330 -4.655 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.192 -3.680 1.899 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.152 -1.898 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.772 -3.095 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.506 -3.385 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.507 -4.637 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.080 -2.758 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.660 -4.298 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.050 -2.800 1.618 1.00 0.00 H new ATOM 611 N LEU A 40 -4.385 -0.508 4.114 1.00 0.00 N ATOM 612 CA LEU A 40 -4.144 0.942 3.885 1.00 0.00 C ATOM 613 C LEU A 40 -2.656 1.204 4.084 1.00 0.00 C ATOM 614 O LEU A 40 -2.027 0.621 4.942 1.00 0.00 O ATOM 615 CB LEU A 40 -4.957 1.772 4.883 1.00 0.00 C ATOM 616 CG LEU A 40 -4.414 3.202 4.932 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.641 3.882 3.581 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.142 3.986 6.025 1.00 0.00 C ATOM 0 H LEU A 40 -4.636 -0.763 5.069 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.449 1.223 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.007 1.782 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.905 1.320 5.873 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.346 3.177 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.254 4.900 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.123 3.324 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.708 3.907 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.756 5.005 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.209 4.010 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.980 3.503 6.989 1.00 0.00 H new ATOM 630 N ILE A 41 -2.076 2.047 3.282 1.00 0.00 N ATOM 631 CA ILE A 41 -0.620 2.300 3.420 1.00 0.00 C ATOM 632 C ILE A 41 -0.321 3.793 3.308 1.00 0.00 C ATOM 633 O ILE A 41 -1.037 4.533 2.668 1.00 0.00 O ATOM 634 CB ILE A 41 0.104 1.565 2.292 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.518 0.168 2.126 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.597 1.462 2.626 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.466 -0.772 1.423 1.00 0.00 C ATOM 0 H ILE A 41 -2.544 2.569 2.541 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.284 1.948 4.395 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.002 2.112 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.784 -0.237 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.440 0.239 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.114 0.938 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.015 2.463 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.724 0.912 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.012 -1.757 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.711 -0.373 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.376 -0.856 2.017 1.00 0.00 H new ATOM 649 N ILE A 42 0.760 4.233 3.889 1.00 0.00 N ATOM 650 CA ILE A 42 1.140 5.650 3.772 1.00 0.00 C ATOM 651 C ILE A 42 2.582 5.661 3.333 1.00 0.00 C ATOM 652 O ILE A 42 3.272 4.669 3.429 1.00 0.00 O ATOM 653 CB ILE A 42 1.011 6.378 5.097 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.156 5.792 5.886 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.759 7.869 4.824 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.654 6.836 6.875 1.00 0.00 C ATOM 0 H ILE A 42 1.396 3.659 4.443 1.00 0.00 H new ATOM 0 HA ILE A 42 0.484 6.158 3.065 1.00 0.00 H new ATOM 0 HB ILE A 42 1.927 6.262 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.959 5.499 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.160 4.892 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.665 8.401 5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.594 8.281 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.161 7.983 4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.489 6.428 7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.153 7.106 7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.983 7.723 6.333 1.00 0.00 H new ATOM 668 N ALA A 43 3.047 6.750 2.857 1.00 0.00 N ATOM 669 CA ALA A 43 4.452 6.796 2.411 1.00 0.00 C ATOM 670 C ALA A 43 4.878 8.237 2.259 1.00 0.00 C ATOM 671 O ALA A 43 4.248 9.007 1.577 1.00 0.00 O ATOM 672 CB ALA A 43 4.590 6.077 1.068 1.00 0.00 C ATOM 0 H ALA A 43 2.522 7.619 2.753 1.00 0.00 H new ATOM 0 HA ALA A 43 5.085 6.302 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.629 6.113 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.280 5.038 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.959 6.567 0.326 1.00 0.00 H new ATOM 678 N ASP A 44 5.969 8.597 2.831 1.00 0.00 N ATOM 679 CA ASP A 44 6.445 9.978 2.645 1.00 0.00 C ATOM 680 C ASP A 44 7.573 9.874 1.658 1.00 0.00 C ATOM 681 O ASP A 44 7.843 10.775 0.889 1.00 0.00 O ATOM 682 CB ASP A 44 6.887 10.610 3.979 1.00 0.00 C ATOM 683 CG ASP A 44 8.378 10.390 4.289 1.00 0.00 C ATOM 684 OD1 ASP A 44 9.188 10.435 3.381 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.685 10.216 5.455 1.00 0.00 O ATOM 0 H ASP A 44 6.553 8.002 3.418 1.00 0.00 H new ATOM 0 HA ASP A 44 5.658 10.636 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.682 11.680 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.289 10.191 4.788 1.00 0.00 H new ATOM 690 N ASP A 45 8.211 8.740 1.647 1.00 0.00 N ATOM 691 CA ASP A 45 9.298 8.540 0.671 1.00 0.00 C ATOM 692 C ASP A 45 8.695 8.679 -0.735 1.00 0.00 C ATOM 693 O ASP A 45 7.576 8.265 -0.964 1.00 0.00 O ATOM 694 CB ASP A 45 9.865 7.156 0.895 1.00 0.00 C ATOM 695 CG ASP A 45 10.571 6.643 -0.360 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.736 6.962 -0.532 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.939 5.934 -1.124 1.00 0.00 O ATOM 0 H ASP A 45 8.025 7.953 2.268 1.00 0.00 H new ATOM 0 HA ASP A 45 10.099 9.271 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.567 7.177 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.063 6.471 1.171 1.00 0.00 H new ATOM 702 N PRO A 46 9.434 9.281 -1.626 1.00 0.00 N ATOM 703 CA PRO A 46 8.975 9.514 -3.008 1.00 0.00 C ATOM 704 C PRO A 46 9.077 8.226 -3.818 1.00 0.00 C ATOM 705 O PRO A 46 8.467 8.071 -4.857 1.00 0.00 O ATOM 706 CB PRO A 46 9.950 10.569 -3.534 1.00 0.00 C ATOM 707 CG PRO A 46 11.219 10.472 -2.653 1.00 0.00 C ATOM 708 CD PRO A 46 10.796 9.771 -1.347 1.00 0.00 C ATOM 0 HA PRO A 46 7.935 9.835 -3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.190 10.387 -4.582 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.512 11.565 -3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.001 9.907 -3.160 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.624 11.463 -2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.471 8.952 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.806 10.461 -0.503 1.00 0.00 H new ATOM 716 N ALA A 47 9.854 7.307 -3.339 1.00 0.00 N ATOM 717 CA ALA A 47 10.026 6.013 -4.059 1.00 0.00 C ATOM 718 C ALA A 47 8.968 5.009 -3.600 1.00 0.00 C ATOM 719 O ALA A 47 8.898 3.903 -4.097 1.00 0.00 O ATOM 720 CB ALA A 47 11.420 5.451 -3.772 1.00 0.00 C ATOM 0 H ALA A 47 10.385 7.392 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 47 9.912 6.185 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.546 4.505 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.175 6.159 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.533 5.288 -2.700 1.00 0.00 H new ATOM 726 N THR A 48 8.145 5.374 -2.655 1.00 0.00 N ATOM 727 CA THR A 48 7.101 4.423 -2.180 1.00 0.00 C ATOM 728 C THR A 48 5.848 4.572 -3.041 1.00 0.00 C ATOM 729 O THR A 48 5.209 3.603 -3.396 1.00 0.00 O ATOM 730 CB THR A 48 6.752 4.728 -0.722 1.00 0.00 C ATOM 731 OG1 THR A 48 6.742 6.134 -0.520 1.00 0.00 O ATOM 732 CG2 THR A 48 7.790 4.082 0.192 1.00 0.00 C ATOM 0 H THR A 48 8.150 6.284 -2.194 1.00 0.00 H new ATOM 0 HA THR A 48 7.480 3.404 -2.257 1.00 0.00 H new ATOM 0 HB THR A 48 5.766 4.326 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.663 6.469 -0.507 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.544 4.298 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.791 3.003 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.777 4.483 -0.038 1.00 0.00 H new ATOM 740 N THR A 49 5.495 5.777 -3.386 1.00 0.00 N ATOM 741 CA THR A 49 4.282 5.970 -4.232 1.00 0.00 C ATOM 742 C THR A 49 4.467 5.180 -5.516 1.00 0.00 C ATOM 743 O THR A 49 3.520 4.728 -6.127 1.00 0.00 O ATOM 744 CB THR A 49 4.104 7.449 -4.599 1.00 0.00 C ATOM 745 OG1 THR A 49 4.774 7.711 -5.824 1.00 0.00 O ATOM 746 CG2 THR A 49 4.691 8.338 -3.509 1.00 0.00 C ATOM 0 H THR A 49 5.987 6.631 -3.123 1.00 0.00 H new ATOM 0 HA THR A 49 3.405 5.633 -3.678 1.00 0.00 H new ATOM 0 HB THR A 49 3.040 7.664 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.661 8.655 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.558 9.385 -3.782 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.181 8.142 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.754 8.124 -3.398 1.00 0.00 H new ATOM 754 N ARG A 50 5.684 5.042 -5.949 1.00 0.00 N ATOM 755 CA ARG A 50 5.935 4.308 -7.224 1.00 0.00 C ATOM 756 C ARG A 50 6.316 2.843 -6.977 1.00 0.00 C ATOM 757 O ARG A 50 5.959 1.968 -7.741 1.00 0.00 O ATOM 758 CB ARG A 50 7.073 4.993 -7.976 1.00 0.00 C ATOM 759 CG ARG A 50 6.566 6.299 -8.591 1.00 0.00 C ATOM 760 CD ARG A 50 7.556 6.784 -9.652 1.00 0.00 C ATOM 761 NE ARG A 50 7.175 8.155 -10.096 1.00 0.00 N ATOM 762 CZ ARG A 50 6.206 8.317 -10.955 1.00 0.00 C ATOM 763 NH1 ARG A 50 4.975 8.433 -10.536 1.00 0.00 N ATOM 764 NH2 ARG A 50 6.467 8.363 -12.233 1.00 0.00 N ATOM 0 H ARG A 50 6.516 5.402 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 50 5.014 4.324 -7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.901 5.196 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.455 4.335 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.584 6.145 -9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.448 7.056 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.567 6.790 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.558 6.102 -10.502 1.00 0.00 H new ATOM 0 HE ARG A 50 7.672 8.967 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.771 8.397 -9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.218 8.560 -11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.429 8.272 -12.561 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.709 8.490 -12.904 1.00 0.00 H new ATOM 778 N ASP A 51 7.076 2.575 -5.960 1.00 0.00 N ATOM 779 CA ASP A 51 7.527 1.171 -5.716 1.00 0.00 C ATOM 780 C ASP A 51 6.523 0.368 -4.881 1.00 0.00 C ATOM 781 O ASP A 51 6.221 -0.765 -5.196 1.00 0.00 O ATOM 782 CB ASP A 51 8.866 1.205 -4.979 1.00 0.00 C ATOM 783 CG ASP A 51 9.913 1.903 -5.849 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.575 2.279 -6.959 1.00 0.00 O ATOM 785 OD2 ASP A 51 11.033 2.050 -5.391 1.00 0.00 O ATOM 0 H ASP A 51 7.408 3.262 -5.283 1.00 0.00 H new ATOM 0 HA ASP A 51 7.618 0.680 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.757 1.731 -4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.190 0.191 -4.746 1.00 0.00 H new ATOM 790 N ILE A 52 6.028 0.914 -3.811 1.00 0.00 N ATOM 791 CA ILE A 52 5.078 0.134 -2.960 1.00 0.00 C ATOM 792 C ILE A 52 3.929 -0.424 -3.796 1.00 0.00 C ATOM 793 O ILE A 52 3.640 -1.602 -3.721 1.00 0.00 O ATOM 794 CB ILE A 52 4.552 1.021 -1.820 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.467 0.854 -0.607 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.117 0.628 -1.436 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.792 1.437 0.637 1.00 0.00 C ATOM 0 H ILE A 52 6.234 1.858 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 52 5.609 -0.713 -2.526 1.00 0.00 H new ATOM 0 HB ILE A 52 4.544 2.059 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.689 -0.202 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.418 1.357 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.768 1.270 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.464 0.746 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.100 -0.411 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.449 1.315 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.593 2.497 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.853 0.915 0.820 1.00 0.00 H new ATOM 809 N PRO A 53 3.304 0.415 -4.563 1.00 0.00 N ATOM 810 CA PRO A 53 2.190 -0.016 -5.405 1.00 0.00 C ATOM 811 C PRO A 53 2.706 -0.850 -6.554 1.00 0.00 C ATOM 812 O PRO A 53 2.231 -1.932 -6.797 1.00 0.00 O ATOM 813 CB PRO A 53 1.565 1.280 -5.883 1.00 0.00 C ATOM 814 CG PRO A 53 2.642 2.375 -5.722 1.00 0.00 C ATOM 815 CD PRO A 53 3.650 1.844 -4.686 1.00 0.00 C ATOM 0 HA PRO A 53 1.466 -0.641 -4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.249 1.197 -6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.677 1.521 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.134 2.579 -6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.197 3.311 -5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.678 1.980 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.555 2.363 -3.732 1.00 0.00 H new ATOM 823 N GLY A 54 3.691 -0.381 -7.253 1.00 0.00 N ATOM 824 CA GLY A 54 4.228 -1.200 -8.363 1.00 0.00 C ATOM 825 C GLY A 54 4.476 -2.604 -7.830 1.00 0.00 C ATOM 826 O GLY A 54 4.455 -3.572 -8.564 1.00 0.00 O ATOM 0 H GLY A 54 4.143 0.522 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.523 -1.226 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.153 -0.767 -8.744 1.00 0.00 H new ATOM 830 N PHE A 55 4.687 -2.730 -6.545 1.00 0.00 N ATOM 831 CA PHE A 55 4.904 -4.080 -5.971 1.00 0.00 C ATOM 832 C PHE A 55 3.551 -4.795 -5.862 1.00 0.00 C ATOM 833 O PHE A 55 3.387 -5.897 -6.348 1.00 0.00 O ATOM 834 CB PHE A 55 5.561 -3.953 -4.585 1.00 0.00 C ATOM 835 CG PHE A 55 5.120 -5.089 -3.684 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.026 -6.397 -4.182 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.783 -4.826 -2.356 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.593 -7.432 -3.350 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.356 -5.864 -1.528 1.00 0.00 C ATOM 840 CZ PHE A 55 4.258 -7.165 -2.023 1.00 0.00 C ATOM 0 H PHE A 55 4.717 -1.959 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 55 5.566 -4.660 -6.614 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.646 -3.963 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.292 -2.998 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.288 -6.604 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.853 -3.820 -1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.518 -8.439 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.100 -5.660 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.923 -7.964 -1.379 1.00 0.00 H new ATOM 850 N CYS A 56 2.586 -4.197 -5.216 1.00 0.00 N ATOM 851 CA CYS A 56 1.274 -4.882 -5.082 1.00 0.00 C ATOM 852 C CYS A 56 0.773 -5.308 -6.457 1.00 0.00 C ATOM 853 O CYS A 56 0.197 -6.357 -6.612 1.00 0.00 O ATOM 854 CB CYS A 56 0.275 -3.930 -4.440 1.00 0.00 C ATOM 855 SG CYS A 56 0.583 -3.882 -2.658 1.00 0.00 S ATOM 0 H CYS A 56 2.650 -3.276 -4.782 1.00 0.00 H new ATOM 0 HA CYS A 56 1.386 -5.767 -4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.375 -2.932 -4.868 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.744 -4.261 -4.639 1.00 0.00 H new ATOM 0 HG CYS A 56 0.625 -5.095 -2.192 1.00 0.00 H new ATOM 861 N THR A 57 0.992 -4.509 -7.456 1.00 0.00 N ATOM 862 CA THR A 57 0.523 -4.885 -8.818 1.00 0.00 C ATOM 863 C THR A 57 1.313 -6.098 -9.313 1.00 0.00 C ATOM 864 O THR A 57 0.811 -6.926 -10.047 1.00 0.00 O ATOM 865 CB THR A 57 0.746 -3.713 -9.773 1.00 0.00 C ATOM 866 OG1 THR A 57 0.042 -2.574 -9.299 1.00 0.00 O ATOM 867 CG2 THR A 57 0.242 -4.088 -11.166 1.00 0.00 C ATOM 0 H THR A 57 1.474 -3.612 -7.392 1.00 0.00 H new ATOM 0 HA THR A 57 -0.538 -5.131 -8.781 1.00 0.00 H new ATOM 0 HB THR A 57 1.810 -3.482 -9.825 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.187 -1.822 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.401 -3.252 -11.848 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.787 -4.960 -11.528 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.822 -4.320 -11.118 1.00 0.00 H new ATOM 875 N PHE A 58 2.553 -6.193 -8.927 1.00 0.00 N ATOM 876 CA PHE A 58 3.403 -7.333 -9.379 1.00 0.00 C ATOM 877 C PHE A 58 2.942 -8.651 -8.743 1.00 0.00 C ATOM 878 O PHE A 58 3.071 -9.705 -9.334 1.00 0.00 O ATOM 879 CB PHE A 58 4.853 -7.061 -8.973 1.00 0.00 C ATOM 880 CG PHE A 58 5.790 -7.749 -9.938 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.819 -9.147 -10.008 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.631 -6.989 -10.758 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.690 -9.784 -10.901 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.501 -7.625 -11.651 1.00 0.00 C ATOM 885 CZ PHE A 58 7.530 -9.023 -11.723 1.00 0.00 C ATOM 0 H PHE A 58 3.020 -5.526 -8.313 1.00 0.00 H new ATOM 0 HA PHE A 58 3.318 -7.424 -10.462 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.044 -5.988 -8.968 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.031 -7.421 -7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.171 -9.734 -9.374 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.609 -5.911 -10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.714 -10.862 -10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.150 -7.038 -12.284 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.200 -9.514 -12.413 1.00 0.00 H new ATOM 895 N MET A 59 2.427 -8.620 -7.542 1.00 0.00 N ATOM 896 CA MET A 59 1.996 -9.894 -6.893 1.00 0.00 C ATOM 897 C MET A 59 0.541 -10.231 -7.235 1.00 0.00 C ATOM 898 O MET A 59 0.010 -11.212 -6.761 1.00 0.00 O ATOM 899 CB MET A 59 2.156 -9.784 -5.385 1.00 0.00 C ATOM 900 CG MET A 59 3.541 -10.296 -4.981 1.00 0.00 C ATOM 901 SD MET A 59 4.807 -9.487 -5.992 1.00 0.00 S ATOM 902 CE MET A 59 5.688 -10.987 -6.492 1.00 0.00 C ATOM 0 H MET A 59 2.287 -7.776 -6.986 1.00 0.00 H new ATOM 0 HA MET A 59 2.628 -10.697 -7.273 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.033 -8.748 -5.070 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.381 -10.364 -4.883 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.721 -10.094 -3.925 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.593 -11.377 -5.112 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.682 -10.722 -6.853 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.780 -11.657 -5.637 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.134 -11.486 -7.287 1.00 0.00 H new ATOM 912 N GLU A 60 -0.094 -9.439 -8.059 1.00 0.00 N ATOM 913 CA GLU A 60 -1.514 -9.720 -8.456 1.00 0.00 C ATOM 914 C GLU A 60 -2.493 -9.136 -7.423 1.00 0.00 C ATOM 915 O GLU A 60 -3.613 -9.589 -7.293 1.00 0.00 O ATOM 916 CB GLU A 60 -1.726 -11.240 -8.623 1.00 0.00 C ATOM 917 CG GLU A 60 -2.347 -11.857 -7.361 1.00 0.00 C ATOM 918 CD GLU A 60 -1.775 -13.260 -7.149 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.735 -14.013 -8.108 1.00 0.00 O ATOM 920 OE2 GLU A 60 -1.386 -13.558 -6.032 1.00 0.00 O ATOM 0 H GLU A 60 0.310 -8.602 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.713 -9.237 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.374 -11.427 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.771 -11.722 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.135 -11.231 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.431 -11.905 -7.462 1.00 0.00 H new ATOM 927 N HIS A 61 -2.084 -8.127 -6.709 1.00 0.00 N ATOM 928 CA HIS A 61 -2.976 -7.495 -5.707 1.00 0.00 C ATOM 929 C HIS A 61 -3.639 -6.281 -6.359 1.00 0.00 C ATOM 930 O HIS A 61 -3.344 -5.951 -7.491 1.00 0.00 O ATOM 931 CB HIS A 61 -2.139 -7.052 -4.512 1.00 0.00 C ATOM 932 CG HIS A 61 -1.334 -8.220 -4.026 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.556 -9.505 -4.492 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.304 -8.319 -3.125 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.681 -10.316 -3.878 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.108 -9.646 -3.032 1.00 0.00 N ATOM 0 H HIS A 61 -1.156 -7.709 -6.780 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.739 -8.196 -5.368 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.480 -6.232 -4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.785 -6.681 -3.716 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.258 -9.784 -5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.122 -7.494 -2.573 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.621 -11.381 -4.047 1.00 0.00 H new ATOM 944 N GLU A 62 -4.546 -5.623 -5.690 1.00 0.00 N ATOM 945 CA GLU A 62 -5.212 -4.464 -6.337 1.00 0.00 C ATOM 946 C GLU A 62 -5.033 -3.191 -5.526 1.00 0.00 C ATOM 947 O GLU A 62 -5.098 -3.190 -4.316 1.00 0.00 O ATOM 948 CB GLU A 62 -6.705 -4.742 -6.453 1.00 0.00 C ATOM 949 CG GLU A 62 -7.005 -5.419 -7.792 1.00 0.00 C ATOM 950 CD GLU A 62 -7.575 -4.388 -8.769 1.00 0.00 C ATOM 951 OE1 GLU A 62 -7.685 -3.235 -8.387 1.00 0.00 O ATOM 952 OE2 GLU A 62 -7.890 -4.771 -9.885 1.00 0.00 O ATOM 0 H GLU A 62 -4.849 -5.835 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.757 -4.326 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.030 -5.381 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.265 -3.810 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.095 -5.859 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.716 -6.232 -7.649 1.00 0.00 H new ATOM 959 N LEU A 63 -4.881 -2.096 -6.209 1.00 0.00 N ATOM 960 CA LEU A 63 -4.772 -0.782 -5.524 1.00 0.00 C ATOM 961 C LEU A 63 -6.209 -0.317 -5.320 1.00 0.00 C ATOM 962 O LEU A 63 -6.869 0.095 -6.254 1.00 0.00 O ATOM 963 CB LEU A 63 -3.991 0.200 -6.417 1.00 0.00 C ATOM 964 CG LEU A 63 -4.445 1.649 -6.180 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.923 2.145 -4.830 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.888 2.538 -7.294 1.00 0.00 C ATOM 0 H LEU A 63 -4.827 -2.054 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.239 -0.843 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.924 0.112 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.137 -0.063 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.534 1.690 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.249 3.173 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.314 1.512 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.834 2.105 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.207 3.568 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.799 2.490 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.261 2.191 -8.257 1.00 0.00 H new ATOM 978 N VAL A 64 -6.730 -0.431 -4.134 1.00 0.00 N ATOM 979 CA VAL A 64 -8.128 -0.059 -3.921 1.00 0.00 C ATOM 980 C VAL A 64 -8.300 1.469 -3.973 1.00 0.00 C ATOM 981 O VAL A 64 -9.162 1.963 -4.673 1.00 0.00 O ATOM 982 CB VAL A 64 -8.546 -0.660 -2.589 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.927 -0.186 -2.229 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.584 -2.179 -2.721 1.00 0.00 C ATOM 0 H VAL A 64 -6.236 -0.768 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.772 -0.448 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.836 -0.357 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.223 -0.619 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.930 0.901 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.631 -0.496 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.883 -2.620 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.301 -2.459 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.595 -2.545 -2.995 1.00 0.00 H new ATOM 994 N ALA A 65 -7.500 2.236 -3.273 1.00 0.00 N ATOM 995 CA ALA A 65 -7.679 3.725 -3.362 1.00 0.00 C ATOM 996 C ALA A 65 -6.329 4.441 -3.215 1.00 0.00 C ATOM 997 O ALA A 65 -5.579 4.176 -2.330 1.00 0.00 O ATOM 998 CB ALA A 65 -8.620 4.188 -2.248 1.00 0.00 C ATOM 0 H ALA A 65 -6.752 1.912 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.102 3.970 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.752 5.268 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.587 3.697 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.192 3.929 -1.279 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.988 5.343 -4.076 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.680 6.012 -3.919 1.00 0.00 C ATOM 1006 C LYS A 66 -4.837 7.361 -3.240 1.00 0.00 C ATOM 1007 O LYS A 66 -5.907 7.935 -3.183 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.064 6.230 -5.280 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.474 5.096 -6.191 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.743 5.470 -6.960 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.394 5.729 -8.426 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.555 5.364 -9.287 1.00 0.00 N ATOM 0 H LYS A 66 -6.549 5.644 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.043 5.376 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.392 7.183 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.978 6.275 -5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.669 4.872 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.647 4.193 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.476 4.666 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.198 6.358 -6.521 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.137 6.779 -8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.519 5.145 -8.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.317 5.540 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.780 4.357 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.379 5.940 -9.021 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.757 7.866 -2.737 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.780 9.182 -2.061 1.00 0.00 C ATOM 1028 C GLU A 67 -2.529 9.980 -2.447 1.00 0.00 C ATOM 1029 O GLU A 67 -1.423 9.641 -2.081 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.805 8.964 -0.562 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.252 8.910 -0.071 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.548 10.147 0.779 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.708 10.499 1.590 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.611 10.722 0.604 1.00 0.00 O ATOM 0 H GLU A 67 -2.842 7.415 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.666 9.739 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.291 8.036 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.270 9.770 -0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.934 8.867 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.415 8.005 0.515 1.00 0.00 H new ATOM 1041 N THR A 68 -2.705 11.041 -3.182 1.00 0.00 N ATOM 1042 CA THR A 68 -1.541 11.878 -3.596 1.00 0.00 C ATOM 1043 C THR A 68 -1.934 13.344 -3.439 1.00 0.00 C ATOM 1044 O THR A 68 -1.485 14.204 -4.170 1.00 0.00 O ATOM 1045 CB THR A 68 -1.204 11.593 -5.062 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.297 11.984 -5.881 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.935 10.099 -5.245 1.00 0.00 C ATOM 0 H THR A 68 -3.611 11.368 -3.517 1.00 0.00 H new ATOM 0 HA THR A 68 -0.670 11.650 -2.981 1.00 0.00 H new ATOM 0 HB THR A 68 -0.316 12.156 -5.347 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.083 11.804 -6.820 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.695 9.898 -6.289 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.096 9.801 -4.616 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.821 9.532 -4.960 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.783 13.630 -2.488 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.224 15.040 -2.278 1.00 0.00 C ATOM 1057 C ASP A 69 -2.155 15.819 -1.518 1.00 0.00 C ATOM 1058 O ASP A 69 -2.339 16.963 -1.153 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.521 15.049 -1.475 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.562 14.171 -2.173 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.200 13.502 -3.127 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.703 14.182 -1.742 1.00 0.00 O ATOM 0 H ASP A 69 -3.190 12.948 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.384 15.510 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.338 14.681 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.895 16.068 -1.380 1.00 0.00 H new ATOM 1067 N GLY A 70 -1.043 15.203 -1.283 1.00 0.00 N ATOM 1068 CA GLY A 70 0.052 15.869 -0.560 1.00 0.00 C ATOM 1069 C GLY A 70 0.578 14.938 0.509 1.00 0.00 C ATOM 1070 O GLY A 70 -0.150 14.417 1.330 1.00 0.00 O ATOM 0 H GLY A 70 -0.845 14.244 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.851 16.137 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.304 16.796 -0.110 1.00 0.00 H new ATOM 1074 N LEU A 71 1.841 14.726 0.470 1.00 0.00 N ATOM 1075 CA LEU A 71 2.503 13.821 1.444 1.00 0.00 C ATOM 1076 C LEU A 71 1.841 13.927 2.828 1.00 0.00 C ATOM 1077 O LEU A 71 1.383 14.980 3.224 1.00 0.00 O ATOM 1078 CB LEU A 71 3.980 14.190 1.576 1.00 0.00 C ATOM 1079 CG LEU A 71 4.700 13.901 0.271 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.854 14.890 0.087 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.253 12.476 0.306 1.00 0.00 C ATOM 0 H LEU A 71 2.471 15.149 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 71 2.403 12.800 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.079 15.245 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.435 13.622 2.387 1.00 0.00 H new ATOM 0 HG LEU A 71 4.002 14.005 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.368 14.679 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.462 15.907 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.555 14.789 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.771 12.264 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.950 12.377 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.432 11.770 0.434 1.00 0.00 H new ATOM 1093 N PRO A 72 1.839 12.817 3.517 1.00 0.00 N ATOM 1094 CA PRO A 72 2.406 11.573 2.993 1.00 0.00 C ATOM 1095 C PRO A 72 1.384 10.912 2.073 1.00 0.00 C ATOM 1096 O PRO A 72 0.190 11.005 2.278 1.00 0.00 O ATOM 1097 CB PRO A 72 2.619 10.711 4.223 1.00 0.00 C ATOM 1098 CG PRO A 72 1.619 11.238 5.269 1.00 0.00 C ATOM 1099 CD PRO A 72 1.287 12.694 4.876 1.00 0.00 C ATOM 0 HA PRO A 72 3.325 11.725 2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.438 9.659 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.644 10.789 4.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.717 10.626 5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.049 11.196 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.213 12.879 4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.743 13.409 5.561 1.00 0.00 H new ATOM 1107 N TYR A 73 1.846 10.244 1.075 1.00 0.00 N ATOM 1108 CA TYR A 73 0.926 9.558 0.133 1.00 0.00 C ATOM 1109 C TYR A 73 0.266 8.376 0.819 1.00 0.00 C ATOM 1110 O TYR A 73 0.770 7.860 1.788 1.00 0.00 O ATOM 1111 CB TYR A 73 1.701 8.974 -1.021 1.00 0.00 C ATOM 1112 CG TYR A 73 2.787 9.897 -1.462 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.497 11.012 -2.248 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.094 9.586 -1.127 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.533 11.834 -2.689 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.142 10.389 -1.574 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.863 11.523 -2.357 1.00 0.00 C ATOM 1118 OH TYR A 73 5.894 12.325 -2.804 1.00 0.00 O ATOM 0 H TYR A 73 2.838 10.137 0.861 1.00 0.00 H new ATOM 0 HA TYR A 73 0.196 10.294 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.131 8.017 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.026 8.778 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.475 11.238 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.302 8.719 -0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.314 12.708 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.162 10.142 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 73 6.738 12.025 -2.406 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.816 7.887 0.290 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.433 6.699 0.888 1.00 0.00 C ATOM 1130 C ARG A 74 -2.036 5.887 -0.223 1.00 0.00 C ATOM 1131 O ARG A 74 -2.394 6.397 -1.251 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.488 7.090 1.901 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.807 7.366 3.225 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.585 8.431 4.000 1.00 0.00 C ATOM 1135 NE ARG A 74 -3.948 7.918 4.314 1.00 0.00 N ATOM 1136 CZ ARG A 74 -4.485 8.166 5.477 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -4.296 7.342 6.472 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -5.211 9.237 5.647 1.00 0.00 N ATOM 0 H ARG A 74 -1.292 8.265 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.682 6.113 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.029 7.974 1.562 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.221 6.291 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.747 6.449 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.784 7.703 3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.059 8.684 4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.655 9.346 3.412 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.461 7.373 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.729 6.505 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.716 7.536 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.359 9.881 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.630 9.430 6.557 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.137 4.627 -0.035 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.694 3.784 -1.102 1.00 0.00 C ATOM 1154 C TYR A 75 -3.335 2.566 -0.486 1.00 0.00 C ATOM 1155 O TYR A 75 -2.691 1.809 0.211 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.592 3.312 -2.033 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.474 4.316 -2.081 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.601 5.507 -2.797 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.706 4.015 -1.434 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.476 6.399 -2.865 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.788 4.903 -1.485 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.673 6.096 -2.206 1.00 0.00 C ATOM 1163 OH TYR A 75 2.742 6.965 -2.280 1.00 0.00 O ATOM 0 H TYR A 75 -1.858 4.135 0.814 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.424 4.369 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.209 2.349 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.995 3.160 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.529 5.740 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.796 3.089 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.383 7.318 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.707 4.667 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 75 3.514 6.574 -1.819 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.574 2.329 -0.752 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.168 1.138 -0.194 1.00 0.00 C ATOM 1175 C LEU A 76 -4.908 0.028 -1.191 1.00 0.00 C ATOM 1176 O LEU A 76 -4.814 0.283 -2.374 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.666 1.269 -0.043 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.190 -0.035 0.526 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.913 -0.089 2.025 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.673 -0.116 0.258 1.00 0.00 C ATOM 0 H LEU A 76 -5.184 2.910 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.742 0.951 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.912 2.100 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.130 1.479 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.690 -0.881 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.291 -1.027 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.839 -0.024 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.411 0.746 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.065 -1.049 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.175 0.725 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.851 -0.082 -0.817 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.796 -1.186 -0.769 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.555 -2.247 -1.757 1.00 0.00 C ATOM 1194 C ILE A 77 -5.290 -3.517 -1.349 1.00 0.00 C ATOM 1195 O ILE A 77 -4.929 -4.171 -0.390 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.057 -2.495 -1.818 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.361 -1.145 -2.030 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.739 -3.457 -2.965 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.944 -1.342 -2.575 1.00 0.00 C ATOM 0 H ILE A 77 -4.860 -1.486 0.204 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.925 -1.947 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.703 -2.948 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.941 -0.537 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.320 -0.600 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.664 -3.632 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.255 -4.403 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.071 -3.022 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.471 -0.371 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.360 -1.930 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.991 -1.866 -3.530 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.322 -3.879 -2.065 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.057 -5.117 -1.690 1.00 0.00 C ATOM 1213 C ARG A 78 -6.191 -6.327 -2.045 1.00 0.00 C ATOM 1214 O ARG A 78 -5.962 -6.620 -3.202 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.379 -5.191 -2.458 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.059 -6.537 -2.187 1.00 0.00 C ATOM 1217 CD ARG A 78 -9.906 -6.936 -3.396 1.00 0.00 C ATOM 1218 NE ARG A 78 -9.810 -8.408 -3.608 1.00 0.00 N ATOM 1219 CZ ARG A 78 -10.048 -8.915 -4.785 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -9.446 -8.432 -5.838 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -10.887 -9.906 -4.911 1.00 0.00 N ATOM 0 H ARG A 78 -6.681 -3.380 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.270 -5.109 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.034 -4.374 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.197 -5.073 -3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.308 -7.302 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.686 -6.467 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.945 -6.648 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.562 -6.407 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.558 -9.019 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.789 -7.658 -5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.632 -8.829 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.357 -10.284 -4.088 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.073 -10.303 -5.832 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.717 -7.040 -1.058 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.877 -8.234 -1.343 1.00 0.00 C ATOM 1237 C LYS A 79 -5.732 -9.228 -2.100 1.00 0.00 C ATOM 1238 O LYS A 79 -6.746 -9.666 -1.607 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.401 -8.860 -0.033 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.283 -9.864 -0.322 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.875 -11.270 -0.438 1.00 0.00 C ATOM 1242 CE LYS A 79 -3.079 -12.234 0.443 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.144 -13.026 -0.406 1.00 0.00 N ATOM 0 H LYS A 79 -5.876 -6.846 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.003 -7.952 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.041 -8.084 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.232 -9.359 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.770 -9.597 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.540 -9.836 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.921 -11.262 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.848 -11.603 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.521 -11.678 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.757 -12.901 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.602 -13.682 0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.687 -13.567 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.489 -12.383 -0.895 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.342 -9.569 -3.297 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.149 -10.527 -4.100 1.00 0.00 C ATOM 1259 C GLY A 80 -5.225 -11.545 -4.765 1.00 0.00 C ATOM 1260 O GLY A 80 -4.041 -11.596 -4.496 1.00 0.00 O ATOM 0 H GLY A 80 -4.498 -9.224 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.868 -11.038 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.721 -9.991 -4.857 1.00 0.00 H new ATOM 1264 N GLY A 81 -5.760 -12.357 -5.630 1.00 0.00 N ATOM 1265 CA GLY A 81 -4.922 -13.380 -6.316 1.00 0.00 C ATOM 1266 C GLY A 81 -5.223 -13.366 -7.816 1.00 0.00 C ATOM 1267 O GLY A 81 -4.480 -13.989 -8.556 1.00 0.00 O ATOM 1268 OXT GLY A 81 -6.193 -12.734 -8.199 1.00 0.00 O ATOM 0 H GLY A 81 -6.745 -12.357 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.865 -13.174 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.125 -14.368 -5.903 1.00 0.00 H new TER 1272 GLY A 81