USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Set 1.1: A 25 THR OG1 : rot 78:sc= 0.3 USER MOD Set 1.2: A 80 THR OG1 : rot 77:sc= 0.398 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= -0.0921 (180deg=-0.0965) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= -0.334 (180deg=-1.54!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.621 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 82:sc= 1.12 USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 0.0926 (180deg=0) USER MOD Single : A 29 TYR OH : rot 150:sc= -1.93! USER MOD Single : A 34 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.5!) USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= -0.0704 (180deg=-2.53) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.807 K(o=-0.81,f=-9.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -61:sc= 1.29 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.203) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 44:sc= 0.218 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.02 F(o=-2.9!,f=-1) USER MOD Single : A 75 ASN : amide:sc= -4.08 K(o=-4.1,f=-6.4!) USER MOD Single : A 81 MET CE :methyl 143:sc= -1.29 (180deg=-1.59!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -73:sc= 0.62 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.685 -9.994 -9.804 1.00 0.00 N ATOM 2 CA ALA A 2 -5.994 -9.245 -8.554 1.00 0.00 C ATOM 3 C ALA A 2 -5.020 -8.076 -8.403 1.00 0.00 C ATOM 4 O ALA A 2 -3.830 -8.268 -8.228 1.00 0.00 O ATOM 5 CB ALA A 2 -5.858 -10.180 -7.351 1.00 0.00 C ATOM 0 HA ALA A 2 -7.014 -8.863 -8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.084 -9.632 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.554 -11.012 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.839 -10.563 -7.302 1.00 0.00 H new ATOM 13 N GLN A 3 -5.516 -6.868 -8.469 1.00 0.00 N ATOM 14 CA GLN A 3 -4.631 -5.674 -8.329 1.00 0.00 C ATOM 15 C GLN A 3 -5.479 -4.406 -8.421 1.00 0.00 C ATOM 16 O GLN A 3 -6.532 -4.399 -9.030 1.00 0.00 O ATOM 17 CB GLN A 3 -3.585 -5.664 -9.448 1.00 0.00 C ATOM 18 CG GLN A 3 -4.275 -5.841 -10.803 1.00 0.00 C ATOM 19 CD GLN A 3 -3.522 -5.041 -11.868 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.470 -5.447 -12.319 1.00 0.00 O ATOM 21 NE2 GLN A 3 -4.019 -3.912 -12.292 1.00 0.00 N ATOM 0 H GLN A 3 -6.503 -6.656 -8.615 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.124 -5.714 -7.365 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.030 -4.726 -9.432 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.862 -6.464 -9.290 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.300 -6.896 -11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.310 -5.503 -10.743 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.902 -3.570 -11.914 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.524 -3.371 -13.001 1.00 0.00 H new ATOM 30 N LYS A 4 -5.028 -3.336 -7.819 1.00 0.00 N ATOM 31 CA LYS A 4 -5.807 -2.065 -7.867 1.00 0.00 C ATOM 32 C LYS A 4 -4.859 -0.870 -7.750 1.00 0.00 C ATOM 33 O LYS A 4 -3.921 -0.883 -6.976 1.00 0.00 O ATOM 34 CB LYS A 4 -6.809 -2.037 -6.710 1.00 0.00 C ATOM 35 CG LYS A 4 -7.970 -1.097 -7.054 1.00 0.00 C ATOM 36 CD LYS A 4 -7.739 0.279 -6.409 1.00 0.00 C ATOM 37 CE LYS A 4 -8.858 0.581 -5.407 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.155 0.705 -6.132 1.00 0.00 N ATOM 0 H LYS A 4 -4.153 -3.288 -7.296 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.342 -2.007 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.186 -3.042 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.316 -1.703 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.055 -0.991 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.910 -1.521 -6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.773 0.296 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.710 1.051 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.919 -0.214 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.640 1.504 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.930 0.792 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.134 1.550 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.306 -0.140 -6.720 1.00 0.00 H new ATOM 52 N THR A 5 -5.105 0.165 -8.514 1.00 0.00 N ATOM 53 CA THR A 5 -4.229 1.371 -8.455 1.00 0.00 C ATOM 54 C THR A 5 -4.775 2.338 -7.402 1.00 0.00 C ATOM 55 O THR A 5 -5.905 2.782 -7.483 1.00 0.00 O ATOM 56 CB THR A 5 -4.218 2.058 -9.824 1.00 0.00 C ATOM 57 OG1 THR A 5 -3.839 1.118 -10.820 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.221 3.218 -9.809 1.00 0.00 C ATOM 0 H THR A 5 -5.878 0.225 -9.177 1.00 0.00 H new ATOM 0 HA THR A 5 -3.214 1.076 -8.189 1.00 0.00 H new ATOM 0 HB THR A 5 -5.214 2.442 -10.045 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.833 1.555 -11.697 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.215 3.705 -10.784 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.513 3.939 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.224 2.838 -9.587 1.00 0.00 H new ATOM 66 N PHE A 6 -3.980 2.659 -6.413 1.00 0.00 N ATOM 67 CA PHE A 6 -4.446 3.592 -5.344 1.00 0.00 C ATOM 68 C PHE A 6 -3.824 4.973 -5.558 1.00 0.00 C ATOM 69 O PHE A 6 -2.750 5.102 -6.113 1.00 0.00 O ATOM 70 CB PHE A 6 -4.022 3.049 -3.979 1.00 0.00 C ATOM 71 CG PHE A 6 -4.837 1.822 -3.650 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.481 0.580 -4.187 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.949 1.927 -2.807 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.237 -0.558 -3.880 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.706 0.790 -2.501 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.350 -0.453 -3.038 1.00 0.00 C ATOM 0 H PHE A 6 -3.027 2.314 -6.300 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.532 3.676 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.960 2.802 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.166 3.810 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.623 0.499 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.223 2.886 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.961 -1.517 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.564 0.872 -1.851 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.934 -1.330 -2.803 1.00 0.00 H new ATOM 86 N LYS A 7 -4.495 6.007 -5.114 1.00 0.00 N ATOM 87 CA LYS A 7 -3.953 7.388 -5.280 1.00 0.00 C ATOM 88 C LYS A 7 -3.326 7.847 -3.963 1.00 0.00 C ATOM 89 O LYS A 7 -3.922 7.728 -2.910 1.00 0.00 O ATOM 90 CB LYS A 7 -5.089 8.340 -5.663 1.00 0.00 C ATOM 91 CG LYS A 7 -5.452 8.135 -7.135 1.00 0.00 C ATOM 92 CD LYS A 7 -4.464 8.902 -8.015 1.00 0.00 C ATOM 93 CE LYS A 7 -4.572 8.405 -9.459 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.403 6.925 -9.490 1.00 0.00 N ATOM 0 H LYS A 7 -5.398 5.952 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.197 7.391 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.960 8.156 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.785 9.373 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.428 7.074 -7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.468 8.483 -7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.675 9.970 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.448 8.762 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.540 8.680 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.811 8.881 -10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.993 6.641 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.769 6.632 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.329 6.467 -9.369 1.00 0.00 H new ATOM 108 N VAL A 8 -2.125 8.367 -4.015 1.00 0.00 N ATOM 109 CA VAL A 8 -1.451 8.832 -2.766 1.00 0.00 C ATOM 110 C VAL A 8 -1.793 10.302 -2.514 1.00 0.00 C ATOM 111 O VAL A 8 -1.411 11.175 -3.272 1.00 0.00 O ATOM 112 CB VAL A 8 0.066 8.685 -2.910 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.731 8.931 -1.555 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.407 7.270 -3.389 1.00 0.00 C ATOM 0 H VAL A 8 -1.582 8.489 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.797 8.227 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 8 0.429 9.411 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.811 8.827 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.494 9.938 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.362 8.204 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.488 7.171 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.042 6.543 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.066 7.089 -4.354 1.00 0.00 H new ATOM 124 N THR A 9 -2.503 10.580 -1.450 1.00 0.00 N ATOM 125 CA THR A 9 -2.870 11.991 -1.134 1.00 0.00 C ATOM 126 C THR A 9 -2.646 12.266 0.359 1.00 0.00 C ATOM 127 O THR A 9 -3.215 13.186 0.916 1.00 0.00 O ATOM 128 CB THR A 9 -4.343 12.223 -1.478 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.686 11.460 -2.626 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.576 13.708 -1.762 1.00 0.00 C ATOM 0 H THR A 9 -2.845 9.886 -0.785 1.00 0.00 H new ATOM 0 HA THR A 9 -2.245 12.664 -1.721 1.00 0.00 H new ATOM 0 HB THR A 9 -4.965 11.915 -0.637 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.630 11.607 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.626 13.871 -2.007 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.314 14.293 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.955 14.020 -2.602 1.00 0.00 H new ATOM 138 N ALA A 10 -1.823 11.478 1.011 1.00 0.00 N ATOM 139 CA ALA A 10 -1.564 11.693 2.463 1.00 0.00 C ATOM 140 C ALA A 10 -0.592 12.860 2.642 1.00 0.00 C ATOM 141 O ALA A 10 0.208 13.150 1.772 1.00 0.00 O ATOM 142 CB ALA A 10 -0.955 10.426 3.065 1.00 0.00 C ATOM 0 H ALA A 10 -1.320 10.694 0.595 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.502 11.922 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.765 10.583 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.648 9.594 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.017 10.197 2.559 1.00 0.00 H new ATOM 148 N ASP A 11 -0.656 13.530 3.765 1.00 0.00 N ATOM 149 CA ASP A 11 0.262 14.681 4.009 1.00 0.00 C ATOM 150 C ASP A 11 1.690 14.163 4.198 1.00 0.00 C ATOM 151 O ASP A 11 2.619 14.638 3.570 1.00 0.00 O ATOM 152 CB ASP A 11 -0.180 15.428 5.269 1.00 0.00 C ATOM 153 CG ASP A 11 0.484 16.806 5.306 1.00 0.00 C ATOM 154 OD1 ASP A 11 1.672 16.876 5.037 1.00 0.00 O ATOM 155 OD2 ASP A 11 -0.207 17.767 5.601 1.00 0.00 O ATOM 0 H ASP A 11 -1.306 13.328 4.524 1.00 0.00 H new ATOM 0 HA ASP A 11 0.231 15.358 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.265 15.535 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.092 14.858 6.157 1.00 0.00 H new ATOM 160 N SER A 12 1.869 13.194 5.059 1.00 0.00 N ATOM 161 CA SER A 12 3.234 12.637 5.297 1.00 0.00 C ATOM 162 C SER A 12 3.653 11.780 4.101 1.00 0.00 C ATOM 163 O SER A 12 4.823 11.672 3.785 1.00 0.00 O ATOM 164 CB SER A 12 3.220 11.774 6.560 1.00 0.00 C ATOM 165 OG SER A 12 2.409 10.628 6.335 1.00 0.00 O ATOM 0 H SER A 12 1.126 12.763 5.609 1.00 0.00 H new ATOM 0 HA SER A 12 3.942 13.456 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.235 11.471 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.834 12.348 7.403 1.00 0.00 H new ATOM 0 HG SER A 12 2.399 10.071 7.141 1.00 0.00 H new ATOM 171 N GLY A 13 2.705 11.169 3.438 1.00 0.00 N ATOM 172 CA GLY A 13 3.038 10.311 2.262 1.00 0.00 C ATOM 173 C GLY A 13 3.000 8.841 2.682 1.00 0.00 C ATOM 174 O GLY A 13 2.291 8.470 3.598 1.00 0.00 O ATOM 0 H GLY A 13 1.712 11.228 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.328 10.489 1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.026 10.566 1.879 1.00 0.00 H new ATOM 178 N ILE A 14 3.755 8.003 2.018 1.00 0.00 N ATOM 179 CA ILE A 14 3.764 6.552 2.376 1.00 0.00 C ATOM 180 C ILE A 14 5.110 6.202 3.024 1.00 0.00 C ATOM 181 O ILE A 14 5.840 5.349 2.548 1.00 0.00 O ATOM 182 CB ILE A 14 3.558 5.697 1.113 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.430 6.283 0.244 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.198 4.263 1.519 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.128 6.372 1.048 1.00 0.00 C ATOM 0 H ILE A 14 4.366 8.261 1.243 1.00 0.00 H new ATOM 0 HA ILE A 14 2.954 6.346 3.076 1.00 0.00 H new ATOM 0 HB ILE A 14 4.482 5.696 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.714 7.273 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.279 5.659 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.052 3.657 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.006 3.840 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.279 4.271 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.340 6.788 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.838 5.376 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.279 7.015 1.915 1.00 0.00 H new HETATM 197 N HIP A 15 5.445 6.863 4.104 1.00 0.00 N HETATM 198 CA HIP A 15 6.744 6.583 4.784 1.00 0.00 C HETATM 199 CB HIP A 15 7.259 7.861 5.486 1.00 0.00 C HETATM 200 CG HIP A 15 6.437 8.218 6.698 1.00 0.00 C HETATM 201 CD2 HIP A 15 5.092 8.406 6.874 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.839 8.763 8.188 1.00 0.00 N HETATM 203 CE1 HIP A 15 6.027 8.786 8.788 1.00 0.00 C HETATM 204 ND1 HIP A 15 7.023 8.468 7.939 1.00 0.00 N HETATM 205 P HIP A 15 8.454 8.783 8.160 1.00 0.00 P HETATM 206 O1P HIP A 15 8.602 9.676 9.331 1.00 0.00 O HETATM 207 O2P HIP A 15 9.030 9.422 6.954 1.00 0.00 O HETATM 208 O3P HIP A 15 9.033 7.446 8.410 1.00 0.00 O HETATM 209 C HIP A 15 6.587 5.395 5.760 1.00 0.00 C HETATM 210 O HIP A 15 5.850 4.467 5.487 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.932 8.966 8.608 1.00 0.00 H new HETATM 0 HE1 HIP A 15 6.176 9.032 9.839 1.00 0.00 H new HETATM 0 HD2 HIP A 15 4.335 8.292 6.098 1.00 0.00 H new HETATM 0 HB3 HIP A 15 8.297 7.716 5.784 1.00 0.00 H new HETATM 0 HB2 HIP A 15 7.243 8.692 4.781 1.00 0.00 H new HETATM 0 HA HIP A 15 7.493 6.295 4.046 1.00 0.00 H new HETATM 0 H HIP A 15 5.035 7.796 4.152 1.00 0.00 H new ATOM 218 N ALA A 16 7.300 5.388 6.865 1.00 0.00 N ATOM 219 CA ALA A 16 7.220 4.233 7.818 1.00 0.00 C ATOM 220 C ALA A 16 5.850 4.132 8.509 1.00 0.00 C ATOM 221 O ALA A 16 5.311 3.052 8.640 1.00 0.00 O ATOM 222 CB ALA A 16 8.306 4.386 8.883 1.00 0.00 C ATOM 0 H ALA A 16 7.935 6.135 7.147 1.00 0.00 H new ATOM 0 HA ALA A 16 7.364 3.321 7.239 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.253 3.549 9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.285 4.399 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.155 5.319 9.425 1.00 0.00 H new ATOM 228 N ARG A 17 5.295 5.225 8.981 1.00 0.00 N ATOM 229 CA ARG A 17 3.970 5.154 9.695 1.00 0.00 C ATOM 230 C ARG A 17 2.913 4.405 8.848 1.00 0.00 C ATOM 231 O ARG A 17 2.320 3.457 9.331 1.00 0.00 O ATOM 232 CB ARG A 17 3.474 6.571 10.012 1.00 0.00 C ATOM 233 CG ARG A 17 2.989 6.638 11.464 1.00 0.00 C ATOM 234 CD ARG A 17 4.194 6.649 12.407 1.00 0.00 C ATOM 235 NE ARG A 17 3.744 7.004 13.782 1.00 0.00 N ATOM 236 CZ ARG A 17 4.049 6.231 14.788 1.00 0.00 C ATOM 237 NH1 ARG A 17 3.331 5.171 15.038 1.00 0.00 N ATOM 238 NH2 ARG A 17 5.073 6.518 15.545 1.00 0.00 N ATOM 0 H ARG A 17 5.696 6.160 8.905 1.00 0.00 H new ATOM 0 HA ARG A 17 4.114 4.600 10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.277 7.291 9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.664 6.843 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.387 7.534 11.616 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.350 5.783 11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.675 5.671 12.411 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.936 7.368 12.058 1.00 0.00 H new ATOM 0 HE ARG A 17 3.198 7.851 13.937 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.531 4.946 14.447 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.570 4.567 15.825 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.635 7.347 15.350 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.311 5.914 16.331 1.00 0.00 H new ATOM 252 N PRO A 18 2.691 4.826 7.615 1.00 0.00 N ATOM 253 CA PRO A 18 1.698 4.167 6.746 1.00 0.00 C ATOM 254 C PRO A 18 2.218 2.803 6.284 1.00 0.00 C ATOM 255 O PRO A 18 1.448 1.909 5.986 1.00 0.00 O ATOM 256 CB PRO A 18 1.531 5.135 5.572 1.00 0.00 C ATOM 257 CG PRO A 18 2.806 6.005 5.544 1.00 0.00 C ATOM 258 CD PRO A 18 3.393 5.960 6.964 1.00 0.00 C ATOM 0 HA PRO A 18 0.751 3.970 7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.410 4.592 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.642 5.752 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.521 5.623 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.571 7.029 5.253 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.471 5.802 6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.218 6.895 7.497 1.00 0.00 H new ATOM 266 N ALA A 19 3.515 2.633 6.240 1.00 0.00 N ATOM 267 CA ALA A 19 4.087 1.321 5.819 1.00 0.00 C ATOM 268 C ALA A 19 3.845 0.283 6.924 1.00 0.00 C ATOM 269 O ALA A 19 3.854 -0.909 6.675 1.00 0.00 O ATOM 270 CB ALA A 19 5.590 1.471 5.581 1.00 0.00 C ATOM 0 H ALA A 19 4.202 3.348 6.478 1.00 0.00 H new ATOM 0 HA ALA A 19 3.606 0.993 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.007 0.512 5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.762 2.210 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.073 1.798 6.502 1.00 0.00 H new ATOM 276 N THR A 20 3.619 0.725 8.140 1.00 0.00 N ATOM 277 CA THR A 20 3.367 -0.228 9.258 1.00 0.00 C ATOM 278 C THR A 20 1.883 -0.596 9.272 1.00 0.00 C ATOM 279 O THR A 20 1.508 -1.692 9.644 1.00 0.00 O ATOM 280 CB THR A 20 3.740 0.430 10.589 1.00 0.00 C ATOM 281 OG1 THR A 20 4.806 1.345 10.380 1.00 0.00 O ATOM 282 CG2 THR A 20 4.174 -0.643 11.589 1.00 0.00 C ATOM 0 H THR A 20 3.599 1.710 8.402 1.00 0.00 H new ATOM 0 HA THR A 20 3.971 -1.125 9.119 1.00 0.00 H new ATOM 0 HB THR A 20 2.876 0.963 10.986 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.456 2.170 9.985 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.439 -0.172 12.536 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.355 -1.344 11.749 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.038 -1.179 11.196 1.00 0.00 H new ATOM 290 N VAL A 21 1.038 0.315 8.861 1.00 0.00 N ATOM 291 CA VAL A 21 -0.428 0.031 8.837 1.00 0.00 C ATOM 292 C VAL A 21 -0.719 -0.960 7.716 1.00 0.00 C ATOM 293 O VAL A 21 -1.562 -1.831 7.835 1.00 0.00 O ATOM 294 CB VAL A 21 -1.197 1.321 8.562 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.693 1.079 8.777 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.719 2.427 9.508 1.00 0.00 C ATOM 0 H VAL A 21 1.302 1.247 8.540 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.735 -0.380 9.799 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.019 1.630 7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.242 2.000 8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.037 0.299 8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.867 0.765 9.806 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.273 3.344 9.305 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.889 2.121 10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.345 2.604 9.353 1.00 0.00 H new ATOM 306 N LEU A 22 -0.028 -0.813 6.622 1.00 0.00 N ATOM 307 CA LEU A 22 -0.240 -1.711 5.459 1.00 0.00 C ATOM 308 C LEU A 22 0.387 -3.081 5.725 1.00 0.00 C ATOM 309 O LEU A 22 -0.251 -4.099 5.555 1.00 0.00 O ATOM 310 CB LEU A 22 0.411 -1.073 4.236 1.00 0.00 C ATOM 311 CG LEU A 22 -0.337 0.213 3.885 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.415 0.951 2.776 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.746 -0.136 3.398 1.00 0.00 C ATOM 0 H LEU A 22 0.685 -0.097 6.484 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.308 -1.850 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.459 -0.855 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.387 -1.764 3.393 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.403 0.850 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.117 1.869 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.420 1.197 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.478 0.314 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.281 0.780 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.679 -0.771 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.282 -0.666 4.185 1.00 0.00 H new ATOM 325 N VAL A 23 1.632 -3.119 6.139 1.00 0.00 N ATOM 326 CA VAL A 23 2.300 -4.434 6.409 1.00 0.00 C ATOM 327 C VAL A 23 1.453 -5.261 7.390 1.00 0.00 C ATOM 328 O VAL A 23 1.466 -6.477 7.363 1.00 0.00 O ATOM 329 CB VAL A 23 3.700 -4.186 6.994 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.585 -3.439 8.324 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.409 -5.525 7.223 1.00 0.00 C ATOM 0 H VAL A 23 2.214 -2.297 6.302 1.00 0.00 H new ATOM 0 HA VAL A 23 2.395 -4.990 5.477 1.00 0.00 H new ATOM 0 HB VAL A 23 4.276 -3.584 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.581 -3.267 8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.089 -2.482 8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.003 -4.035 9.027 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.401 -5.345 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.828 -6.130 7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.503 -6.054 6.275 1.00 0.00 H new ATOM 341 N GLN A 24 0.716 -4.602 8.249 1.00 0.00 N ATOM 342 CA GLN A 24 -0.137 -5.335 9.229 1.00 0.00 C ATOM 343 C GLN A 24 -1.347 -5.932 8.506 1.00 0.00 C ATOM 344 O GLN A 24 -1.761 -7.042 8.785 1.00 0.00 O ATOM 345 CB GLN A 24 -0.618 -4.363 10.313 1.00 0.00 C ATOM 346 CG GLN A 24 0.527 -4.056 11.289 1.00 0.00 C ATOM 347 CD GLN A 24 0.140 -4.492 12.705 1.00 0.00 C ATOM 348 OE1 GLN A 24 -0.505 -3.756 13.427 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.508 -5.668 13.137 1.00 0.00 N ATOM 0 H GLN A 24 0.670 -3.585 8.312 1.00 0.00 H new ATOM 0 HA GLN A 24 0.443 -6.136 9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.973 -3.440 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.461 -4.795 10.853 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.433 -4.575 10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.750 -2.989 11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.049 -6.287 12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.254 -5.968 14.078 1.00 0.00 H new ATOM 358 N THR A 25 -1.919 -5.202 7.580 1.00 0.00 N ATOM 359 CA THR A 25 -3.105 -5.719 6.834 1.00 0.00 C ATOM 360 C THR A 25 -2.679 -6.881 5.931 1.00 0.00 C ATOM 361 O THR A 25 -3.072 -8.013 6.138 1.00 0.00 O ATOM 362 CB THR A 25 -3.697 -4.597 5.978 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.912 -3.450 6.787 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.026 -5.057 5.377 1.00 0.00 C ATOM 0 H THR A 25 -1.613 -4.267 7.309 1.00 0.00 H new ATOM 0 HA THR A 25 -3.854 -6.070 7.544 1.00 0.00 H new ATOM 0 HB THR A 25 -3.004 -4.350 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.059 -2.993 6.941 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.446 -4.257 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.859 -5.937 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.721 -5.306 6.179 1.00 0.00 H new ATOM 372 N ALA A 26 -1.878 -6.606 4.931 1.00 0.00 N ATOM 373 CA ALA A 26 -1.416 -7.682 4.000 1.00 0.00 C ATOM 374 C ALA A 26 -0.759 -8.827 4.786 1.00 0.00 C ATOM 375 O ALA A 26 -0.697 -9.948 4.319 1.00 0.00 O ATOM 376 CB ALA A 26 -0.400 -7.096 3.019 1.00 0.00 C ATOM 0 H ALA A 26 -1.522 -5.674 4.718 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.277 -8.075 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.060 -7.876 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.867 -6.294 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.452 -6.700 3.571 1.00 0.00 H new ATOM 382 N SER A 27 -0.272 -8.553 5.973 1.00 0.00 N ATOM 383 CA SER A 27 0.380 -9.624 6.789 1.00 0.00 C ATOM 384 C SER A 27 -0.621 -10.756 7.045 1.00 0.00 C ATOM 385 O SER A 27 -0.300 -11.922 6.909 1.00 0.00 O ATOM 386 CB SER A 27 0.841 -9.038 8.126 1.00 0.00 C ATOM 387 OG SER A 27 2.230 -8.741 8.053 1.00 0.00 O ATOM 0 H SER A 27 -0.298 -7.632 6.412 1.00 0.00 H new ATOM 0 HA SER A 27 1.241 -10.017 6.248 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.275 -8.135 8.355 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.650 -9.746 8.932 1.00 0.00 H new ATOM 0 HG SER A 27 2.357 -7.877 7.609 1.00 0.00 H new ATOM 393 N LYS A 28 -1.831 -10.415 7.407 1.00 0.00 N ATOM 394 CA LYS A 28 -2.863 -11.461 7.669 1.00 0.00 C ATOM 395 C LYS A 28 -3.131 -12.248 6.382 1.00 0.00 C ATOM 396 O LYS A 28 -3.497 -13.408 6.420 1.00 0.00 O ATOM 397 CB LYS A 28 -4.158 -10.793 8.137 1.00 0.00 C ATOM 398 CG LYS A 28 -4.135 -10.641 9.659 1.00 0.00 C ATOM 399 CD LYS A 28 -3.292 -9.423 10.039 1.00 0.00 C ATOM 400 CE LYS A 28 -3.799 -8.844 11.361 1.00 0.00 C ATOM 401 NZ LYS A 28 -2.987 -7.648 11.725 1.00 0.00 N ATOM 0 H LYS A 28 -2.149 -9.454 7.533 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.504 -12.140 8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.266 -9.816 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.018 -11.391 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.150 -10.526 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.723 -11.539 10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.244 -9.708 10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.349 -8.669 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.850 -8.569 11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.733 -9.595 12.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.613 -6.900 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.297 -7.907 12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.483 -7.301 10.884 1.00 0.00 H new ATOM 415 N TYR A 29 -2.952 -11.623 5.244 1.00 0.00 N ATOM 416 CA TYR A 29 -3.195 -12.329 3.951 1.00 0.00 C ATOM 417 C TYR A 29 -1.904 -13.005 3.487 1.00 0.00 C ATOM 418 O TYR A 29 -0.856 -12.389 3.426 1.00 0.00 O ATOM 419 CB TYR A 29 -3.656 -11.318 2.897 1.00 0.00 C ATOM 420 CG TYR A 29 -4.902 -10.623 3.391 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.159 -11.196 3.163 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.801 -9.410 4.080 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.315 -10.554 3.623 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.955 -8.768 4.541 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.213 -9.339 4.312 1.00 0.00 C ATOM 426 OH TYR A 29 -8.351 -8.707 4.765 1.00 0.00 O ATOM 0 H TYR A 29 -2.648 -10.653 5.156 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.968 -13.085 4.089 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.869 -10.588 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.857 -11.824 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.237 -12.133 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.831 -8.969 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.285 -10.995 3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.876 -7.832 5.074 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.142 -8.197 5.575 1.00 0.00 H new ATOM 436 N ASP A 30 -1.978 -14.269 3.161 1.00 0.00 N ATOM 437 CA ASP A 30 -0.763 -15.003 2.698 1.00 0.00 C ATOM 438 C ASP A 30 -0.430 -14.619 1.251 1.00 0.00 C ATOM 439 O ASP A 30 0.667 -14.855 0.782 1.00 0.00 O ATOM 440 CB ASP A 30 -1.022 -16.509 2.778 1.00 0.00 C ATOM 441 CG ASP A 30 -1.369 -16.892 4.217 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.548 -16.655 5.087 1.00 0.00 O ATOM 443 OD2 ASP A 30 -2.451 -17.417 4.424 1.00 0.00 O ATOM 0 H ASP A 30 -2.831 -14.827 3.196 1.00 0.00 H new ATOM 0 HA ASP A 30 0.079 -14.737 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.839 -16.784 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.141 -17.058 2.447 1.00 0.00 H new ATOM 448 N ALA A 31 -1.365 -14.032 0.536 1.00 0.00 N ATOM 449 CA ALA A 31 -1.096 -13.638 -0.881 1.00 0.00 C ATOM 450 C ALA A 31 0.102 -12.684 -0.939 1.00 0.00 C ATOM 451 O ALA A 31 0.367 -11.951 -0.006 1.00 0.00 O ATOM 452 CB ALA A 31 -2.330 -12.937 -1.456 1.00 0.00 C ATOM 0 H ALA A 31 -2.301 -13.810 0.875 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.873 -14.531 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.136 -12.649 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.183 -13.615 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.551 -12.047 -0.866 1.00 0.00 H new ATOM 458 N ASP A 32 0.824 -12.697 -2.029 1.00 0.00 N ATOM 459 CA ASP A 32 2.010 -11.801 -2.160 1.00 0.00 C ATOM 460 C ASP A 32 1.577 -10.467 -2.773 1.00 0.00 C ATOM 461 O ASP A 32 1.696 -10.255 -3.966 1.00 0.00 O ATOM 462 CB ASP A 32 3.053 -12.463 -3.062 1.00 0.00 C ATOM 463 CG ASP A 32 3.971 -13.348 -2.217 1.00 0.00 C ATOM 464 OD1 ASP A 32 4.273 -12.959 -1.100 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.359 -14.399 -2.701 1.00 0.00 O ATOM 0 H ASP A 32 0.642 -13.292 -2.837 1.00 0.00 H new ATOM 0 HA ASP A 32 2.442 -11.624 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.560 -13.060 -3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.638 -11.702 -3.578 1.00 0.00 H new ATOM 470 N VAL A 33 1.080 -9.568 -1.963 1.00 0.00 N ATOM 471 CA VAL A 33 0.641 -8.240 -2.487 1.00 0.00 C ATOM 472 C VAL A 33 1.824 -7.267 -2.443 1.00 0.00 C ATOM 473 O VAL A 33 2.418 -7.056 -1.405 1.00 0.00 O ATOM 474 CB VAL A 33 -0.523 -7.711 -1.627 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.674 -8.731 -1.625 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.046 -7.478 -0.186 1.00 0.00 C ATOM 0 H VAL A 33 0.959 -9.697 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 33 0.300 -8.338 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.873 -6.768 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.495 -8.352 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.023 -8.888 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.322 -9.676 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.875 -7.104 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.313 -8.417 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.763 -6.747 -0.184 1.00 0.00 H new ATOM 486 N ASN A 34 2.176 -6.688 -3.564 1.00 0.00 N ATOM 487 CA ASN A 34 3.329 -5.740 -3.590 1.00 0.00 C ATOM 488 C ASN A 34 2.880 -4.383 -4.138 1.00 0.00 C ATOM 489 O ASN A 34 2.025 -4.301 -4.998 1.00 0.00 O ATOM 490 CB ASN A 34 4.433 -6.307 -4.484 1.00 0.00 C ATOM 491 CG ASN A 34 4.837 -7.695 -3.979 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.677 -8.000 -2.815 1.00 0.00 O ATOM 493 ND2 ASN A 34 5.357 -8.552 -4.813 1.00 0.00 N ATOM 0 H ASN A 34 1.714 -6.832 -4.462 1.00 0.00 H new ATOM 0 HA ASN A 34 3.706 -5.609 -2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.084 -6.371 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.296 -5.642 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.630 -9.479 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.491 -8.295 -5.791 1.00 0.00 H new ATOM 500 N LEU A 35 3.460 -3.321 -3.641 1.00 0.00 N ATOM 501 CA LEU A 35 3.088 -1.957 -4.118 1.00 0.00 C ATOM 502 C LEU A 35 4.082 -1.510 -5.195 1.00 0.00 C ATOM 503 O LEU A 35 5.194 -1.995 -5.261 1.00 0.00 O ATOM 504 CB LEU A 35 3.137 -0.982 -2.939 1.00 0.00 C ATOM 505 CG LEU A 35 2.304 0.265 -3.262 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.545 0.713 -2.010 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.230 1.394 -3.722 1.00 0.00 C ATOM 0 H LEU A 35 4.181 -3.341 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 35 2.082 -1.973 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.753 -1.464 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.169 -0.698 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 35 1.594 0.029 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.954 1.599 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.884 -0.088 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.256 0.948 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.638 2.280 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.940 1.628 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.772 1.079 -4.614 1.00 0.00 H new ATOM 519 N GLU A 36 3.685 -0.589 -6.039 1.00 0.00 N ATOM 520 CA GLU A 36 4.603 -0.108 -7.115 1.00 0.00 C ATOM 521 C GLU A 36 4.757 1.412 -7.014 1.00 0.00 C ATOM 522 O GLU A 36 3.788 2.132 -6.857 1.00 0.00 O ATOM 523 CB GLU A 36 4.023 -0.471 -8.483 1.00 0.00 C ATOM 524 CG GLU A 36 5.138 -0.460 -9.531 1.00 0.00 C ATOM 525 CD GLU A 36 4.574 0.008 -10.874 1.00 0.00 C ATOM 526 OE1 GLU A 36 4.004 -0.813 -11.573 1.00 0.00 O ATOM 527 OE2 GLU A 36 4.724 1.180 -11.180 1.00 0.00 O ATOM 0 H GLU A 36 2.764 -0.150 -6.028 1.00 0.00 H new ATOM 0 HA GLU A 36 5.578 -0.581 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.558 -1.456 -8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.243 0.239 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.944 0.202 -9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.566 -1.457 -9.632 1.00 0.00 H new ATOM 534 N TYR A 37 5.969 1.903 -7.102 1.00 0.00 N ATOM 535 CA TYR A 37 6.193 3.377 -7.009 1.00 0.00 C ATOM 536 C TYR A 37 7.553 3.734 -7.616 1.00 0.00 C ATOM 537 O TYR A 37 8.565 3.152 -7.278 1.00 0.00 O ATOM 538 CB TYR A 37 6.167 3.803 -5.540 1.00 0.00 C ATOM 539 CG TYR A 37 6.202 5.310 -5.452 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.042 6.052 -5.702 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.394 5.964 -5.120 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.074 7.449 -5.622 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.426 7.361 -5.040 1.00 0.00 C ATOM 544 CZ TYR A 37 6.266 8.104 -5.290 1.00 0.00 C ATOM 545 OH TYR A 37 6.298 9.481 -5.210 1.00 0.00 O ATOM 0 H TYR A 37 6.813 1.345 -7.234 1.00 0.00 H new ATOM 0 HA TYR A 37 5.406 3.896 -7.557 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.269 3.421 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.020 3.377 -5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.122 5.547 -5.957 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.289 5.391 -4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.179 8.022 -5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.346 7.866 -4.785 1.00 0.00 H new ATOM 0 HH TYR A 37 7.201 9.774 -4.968 1.00 0.00 H new ATOM 555 N ASN A 38 7.578 4.696 -8.505 1.00 0.00 N ATOM 556 CA ASN A 38 8.865 5.114 -9.143 1.00 0.00 C ATOM 557 C ASN A 38 9.484 3.932 -9.896 1.00 0.00 C ATOM 558 O ASN A 38 10.690 3.827 -10.011 1.00 0.00 O ATOM 559 CB ASN A 38 9.839 5.600 -8.065 1.00 0.00 C ATOM 560 CG ASN A 38 9.733 7.121 -7.929 1.00 0.00 C ATOM 561 OD1 ASN A 38 8.723 7.634 -7.490 1.00 0.00 O ATOM 562 ND2 ASN A 38 10.741 7.868 -8.287 1.00 0.00 N ATOM 0 H ASN A 38 6.757 5.213 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 38 8.667 5.922 -9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.611 5.122 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.859 5.318 -8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.681 8.882 -8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.589 7.438 -8.656 1.00 0.00 H new ATOM 569 N GLY A 39 8.668 3.050 -10.411 1.00 0.00 N ATOM 570 CA GLY A 39 9.202 1.877 -11.164 1.00 0.00 C ATOM 571 C GLY A 39 9.911 0.923 -10.200 1.00 0.00 C ATOM 572 O GLY A 39 10.845 0.237 -10.571 1.00 0.00 O ATOM 0 H GLY A 39 7.651 3.092 -10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.389 1.358 -11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.896 2.213 -11.934 1.00 0.00 H new ATOM 576 N LYS A 40 9.470 0.872 -8.970 1.00 0.00 N ATOM 577 CA LYS A 40 10.105 -0.039 -7.974 1.00 0.00 C ATOM 578 C LYS A 40 9.018 -0.833 -7.251 1.00 0.00 C ATOM 579 O LYS A 40 8.184 -0.272 -6.564 1.00 0.00 O ATOM 580 CB LYS A 40 10.902 0.784 -6.958 1.00 0.00 C ATOM 581 CG LYS A 40 12.345 0.960 -7.450 1.00 0.00 C ATOM 582 CD LYS A 40 12.525 2.360 -8.052 1.00 0.00 C ATOM 583 CE LYS A 40 13.344 3.235 -7.097 1.00 0.00 C ATOM 584 NZ LYS A 40 12.423 4.075 -6.280 1.00 0.00 N ATOM 0 H LYS A 40 8.692 1.426 -8.611 1.00 0.00 H new ATOM 0 HA LYS A 40 10.779 -0.726 -8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.434 1.759 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.897 0.286 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.040 0.818 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.579 0.201 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.028 2.289 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.552 2.816 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.955 2.609 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.026 3.869 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.799 4.165 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.342 5.019 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.484 3.628 -6.246 1.00 0.00 H new ATOM 598 N THR A 41 9.016 -2.131 -7.408 1.00 0.00 N ATOM 599 CA THR A 41 7.978 -2.969 -6.741 1.00 0.00 C ATOM 600 C THR A 41 8.524 -3.528 -5.426 1.00 0.00 C ATOM 601 O THR A 41 9.352 -4.419 -5.416 1.00 0.00 O ATOM 602 CB THR A 41 7.589 -4.126 -7.664 1.00 0.00 C ATOM 603 OG1 THR A 41 7.248 -3.614 -8.944 1.00 0.00 O ATOM 604 CG2 THR A 41 6.389 -4.870 -7.074 1.00 0.00 C ATOM 0 H THR A 41 9.691 -2.648 -7.972 1.00 0.00 H new ATOM 0 HA THR A 41 7.102 -2.355 -6.532 1.00 0.00 H new ATOM 0 HB THR A 41 8.429 -4.814 -7.759 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.000 -4.354 -9.537 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.112 -5.694 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.651 -5.262 -6.092 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.547 -4.184 -6.978 1.00 0.00 H new ATOM 612 N VAL A 42 8.050 -3.019 -4.316 1.00 0.00 N ATOM 613 CA VAL A 42 8.521 -3.527 -2.989 1.00 0.00 C ATOM 614 C VAL A 42 7.415 -4.367 -2.358 1.00 0.00 C ATOM 615 O VAL A 42 6.243 -4.106 -2.551 1.00 0.00 O ATOM 616 CB VAL A 42 8.865 -2.371 -2.031 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.288 -1.880 -2.297 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.879 -1.207 -2.208 1.00 0.00 C ATOM 0 H VAL A 42 7.356 -2.273 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 42 9.420 -4.121 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 42 8.791 -2.740 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.524 -1.063 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.991 -2.698 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.365 -1.529 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.140 -0.401 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.929 -0.841 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.867 -1.552 -1.994 1.00 0.00 H new ATOM 628 N ASN A 43 7.777 -5.366 -1.599 1.00 0.00 N ATOM 629 CA ASN A 43 6.747 -6.220 -0.944 1.00 0.00 C ATOM 630 C ASN A 43 5.972 -5.373 0.066 1.00 0.00 C ATOM 631 O ASN A 43 6.550 -4.651 0.855 1.00 0.00 O ATOM 632 CB ASN A 43 7.431 -7.382 -0.219 1.00 0.00 C ATOM 633 CG ASN A 43 6.391 -8.448 0.134 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.220 -8.151 0.267 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.772 -9.686 0.293 1.00 0.00 N ATOM 0 H ASN A 43 8.744 -5.627 -1.404 1.00 0.00 H new ATOM 0 HA ASN A 43 6.064 -6.618 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.208 -7.812 -0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.920 -7.022 0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.087 -10.404 0.529 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.755 -9.936 0.181 1.00 0.00 H new ATOM 642 N LEU A 44 4.663 -5.454 0.047 1.00 0.00 N ATOM 643 CA LEU A 44 3.830 -4.656 1.006 1.00 0.00 C ATOM 644 C LEU A 44 4.327 -4.895 2.441 1.00 0.00 C ATOM 645 O LEU A 44 4.197 -4.046 3.302 1.00 0.00 O ATOM 646 CB LEU A 44 2.358 -5.093 0.863 1.00 0.00 C ATOM 647 CG LEU A 44 1.385 -4.070 1.489 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.499 -4.099 3.014 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.676 -2.650 0.977 1.00 0.00 C ATOM 0 H LEU A 44 4.131 -6.042 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 44 3.913 -3.592 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.119 -5.221 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.220 -6.063 1.341 1.00 0.00 H new ATOM 0 HG LEU A 44 0.372 -4.345 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.808 -3.374 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.252 -5.096 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.518 -3.848 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.977 -1.949 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.696 -2.370 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.562 -2.623 -0.107 1.00 0.00 H new ATOM 661 N LYS A 45 4.921 -6.037 2.686 1.00 0.00 N ATOM 662 CA LYS A 45 5.456 -6.332 4.045 1.00 0.00 C ATOM 663 C LYS A 45 6.915 -5.868 4.112 1.00 0.00 C ATOM 664 O LYS A 45 7.808 -6.619 4.457 1.00 0.00 O ATOM 665 CB LYS A 45 5.374 -7.840 4.308 1.00 0.00 C ATOM 666 CG LYS A 45 3.908 -8.252 4.469 1.00 0.00 C ATOM 667 CD LYS A 45 3.302 -8.584 3.095 1.00 0.00 C ATOM 668 CE LYS A 45 2.920 -10.065 3.037 1.00 0.00 C ATOM 669 NZ LYS A 45 4.146 -10.886 2.823 1.00 0.00 N ATOM 0 H LYS A 45 5.057 -6.778 1.999 1.00 0.00 H new ATOM 0 HA LYS A 45 4.871 -5.808 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.828 -8.389 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.935 -8.094 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.835 -9.118 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.345 -7.446 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.422 -7.966 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.019 -8.353 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.428 -10.361 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.209 -10.237 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.887 -11.893 2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.597 -10.609 1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.810 -10.730 3.608 1.00 0.00 H new ATOM 683 N SER A 46 7.157 -4.624 3.780 1.00 0.00 N ATOM 684 CA SER A 46 8.545 -4.079 3.815 1.00 0.00 C ATOM 685 C SER A 46 8.483 -2.628 4.286 1.00 0.00 C ATOM 686 O SER A 46 8.436 -1.709 3.491 1.00 0.00 O ATOM 687 CB SER A 46 9.161 -4.140 2.413 1.00 0.00 C ATOM 688 OG SER A 46 10.568 -4.310 2.528 1.00 0.00 O ATOM 0 H SER A 46 6.443 -3.958 3.484 1.00 0.00 H new ATOM 0 HA SER A 46 9.160 -4.668 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.728 -4.965 1.848 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.937 -3.225 1.864 1.00 0.00 H new ATOM 0 HG SER A 46 10.967 -4.351 1.634 1.00 0.00 H new ATOM 694 N ILE A 47 8.464 -2.423 5.576 1.00 0.00 N ATOM 695 CA ILE A 47 8.385 -1.037 6.119 1.00 0.00 C ATOM 696 C ILE A 47 9.681 -0.286 5.811 1.00 0.00 C ATOM 697 O ILE A 47 9.664 0.881 5.469 1.00 0.00 O ATOM 698 CB ILE A 47 8.163 -1.090 7.631 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.947 -1.985 7.929 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.915 0.334 8.148 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.633 -1.974 9.429 1.00 0.00 C ATOM 0 H ILE A 47 8.500 -3.160 6.280 1.00 0.00 H new ATOM 0 HA ILE A 47 7.551 -0.514 5.652 1.00 0.00 H new ATOM 0 HB ILE A 47 9.040 -1.504 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.082 -1.634 7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.148 -3.005 7.600 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.755 0.307 9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.780 0.958 7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.033 0.749 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.771 -2.611 9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.494 -2.348 9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.411 -0.955 9.747 1.00 0.00 H new ATOM 713 N MET A 48 10.803 -0.949 5.929 1.00 0.00 N ATOM 714 CA MET A 48 12.107 -0.284 5.647 1.00 0.00 C ATOM 715 C MET A 48 12.311 -0.158 4.134 1.00 0.00 C ATOM 716 O MET A 48 13.017 0.717 3.668 1.00 0.00 O ATOM 717 CB MET A 48 13.237 -1.122 6.246 1.00 0.00 C ATOM 718 CG MET A 48 14.502 -0.269 6.351 1.00 0.00 C ATOM 719 SD MET A 48 14.575 0.510 7.984 1.00 0.00 S ATOM 720 CE MET A 48 15.838 1.745 7.589 1.00 0.00 C ATOM 0 H MET A 48 10.870 -1.927 6.210 1.00 0.00 H new ATOM 0 HA MET A 48 12.110 0.711 6.091 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.950 -1.489 7.231 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.426 -1.996 5.623 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.385 -0.888 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.504 0.494 5.572 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.043 2.351 8.472 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.752 1.242 7.273 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.480 2.387 6.784 1.00 0.00 H new ATOM 730 N GLY A 49 11.704 -1.027 3.363 1.00 0.00 N ATOM 731 CA GLY A 49 11.866 -0.965 1.880 1.00 0.00 C ATOM 732 C GLY A 49 11.045 0.196 1.313 1.00 0.00 C ATOM 733 O GLY A 49 11.416 0.799 0.322 1.00 0.00 O ATOM 0 H GLY A 49 11.102 -1.778 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.918 -0.836 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.542 -1.904 1.431 1.00 0.00 H new ATOM 737 N VAL A 50 9.933 0.508 1.928 1.00 0.00 N ATOM 738 CA VAL A 50 9.081 1.626 1.422 1.00 0.00 C ATOM 739 C VAL A 50 9.747 2.968 1.745 1.00 0.00 C ATOM 740 O VAL A 50 9.553 3.947 1.049 1.00 0.00 O ATOM 741 CB VAL A 50 7.700 1.565 2.087 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.787 2.631 1.475 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.083 0.179 1.863 1.00 0.00 C ATOM 0 H VAL A 50 9.578 0.036 2.760 1.00 0.00 H new ATOM 0 HA VAL A 50 8.966 1.530 0.342 1.00 0.00 H new ATOM 0 HB VAL A 50 7.807 1.748 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.806 2.586 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.222 3.618 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.682 2.449 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.102 0.137 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.979 -0.004 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.729 -0.582 2.300 1.00 0.00 H new ATOM 753 N VAL A 51 10.532 3.021 2.795 1.00 0.00 N ATOM 754 CA VAL A 51 11.211 4.299 3.165 1.00 0.00 C ATOM 755 C VAL A 51 12.150 4.725 2.033 1.00 0.00 C ATOM 756 O VAL A 51 12.334 5.900 1.779 1.00 0.00 O ATOM 757 CB VAL A 51 12.020 4.100 4.448 1.00 0.00 C ATOM 758 CG1 VAL A 51 12.574 5.448 4.914 1.00 0.00 C ATOM 759 CG2 VAL A 51 11.117 3.515 5.539 1.00 0.00 C ATOM 0 H VAL A 51 10.731 2.233 3.411 1.00 0.00 H new ATOM 0 HA VAL A 51 10.460 5.072 3.327 1.00 0.00 H new ATOM 0 HB VAL A 51 12.844 3.414 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.151 5.308 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.218 5.864 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.749 6.133 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.695 3.374 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.292 4.200 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.721 2.555 5.208 1.00 0.00 H new ATOM 769 N SER A 52 12.742 3.776 1.355 1.00 0.00 N ATOM 770 CA SER A 52 13.670 4.115 0.236 1.00 0.00 C ATOM 771 C SER A 52 12.894 4.837 -0.867 1.00 0.00 C ATOM 772 O SER A 52 13.427 5.684 -1.560 1.00 0.00 O ATOM 773 CB SER A 52 14.281 2.831 -0.326 1.00 0.00 C ATOM 774 OG SER A 52 13.288 2.118 -1.051 1.00 0.00 O ATOM 0 H SER A 52 12.622 2.778 1.529 1.00 0.00 H new ATOM 0 HA SER A 52 14.465 4.763 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.122 3.069 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.670 2.214 0.484 1.00 0.00 H new ATOM 0 HG SER A 52 12.555 1.875 -0.448 1.00 0.00 H new ATOM 780 N LEU A 53 11.638 4.507 -1.032 1.00 0.00 N ATOM 781 CA LEU A 53 10.816 5.170 -2.086 1.00 0.00 C ATOM 782 C LEU A 53 10.522 6.612 -1.671 1.00 0.00 C ATOM 783 O LEU A 53 10.644 7.530 -2.460 1.00 0.00 O ATOM 784 CB LEU A 53 9.498 4.411 -2.260 1.00 0.00 C ATOM 785 CG LEU A 53 9.791 2.938 -2.551 1.00 0.00 C ATOM 786 CD1 LEU A 53 8.485 2.141 -2.519 1.00 0.00 C ATOM 787 CD2 LEU A 53 10.430 2.809 -3.934 1.00 0.00 C ATOM 0 H LEU A 53 11.146 3.805 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 53 11.364 5.167 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.893 4.501 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.921 4.846 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 53 10.474 2.548 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.694 1.092 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.027 2.232 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.802 2.531 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.639 1.760 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.747 3.199 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.361 3.376 -3.959 1.00 0.00 H new ATOM 799 N GLY A 54 10.135 6.815 -0.437 1.00 0.00 N ATOM 800 CA GLY A 54 9.830 8.196 0.041 1.00 0.00 C ATOM 801 C GLY A 54 8.650 8.762 -0.749 1.00 0.00 C ATOM 802 O GLY A 54 8.778 9.751 -1.446 1.00 0.00 O ATOM 0 H GLY A 54 10.017 6.081 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.594 8.180 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.704 8.836 -0.082 1.00 0.00 H new ATOM 806 N ILE A 55 7.502 8.141 -0.646 1.00 0.00 N ATOM 807 CA ILE A 55 6.308 8.637 -1.390 1.00 0.00 C ATOM 808 C ILE A 55 5.757 9.879 -0.692 1.00 0.00 C ATOM 809 O ILE A 55 5.937 10.066 0.497 1.00 0.00 O ATOM 810 CB ILE A 55 5.235 7.544 -1.428 1.00 0.00 C ATOM 811 CG1 ILE A 55 5.850 6.249 -1.969 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.092 7.985 -2.344 1.00 0.00 C ATOM 813 CD1 ILE A 55 4.828 5.114 -1.882 1.00 0.00 C ATOM 0 H ILE A 55 7.342 7.310 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 55 6.594 8.892 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 55 4.850 7.374 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.164 6.389 -3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.742 5.992 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.328 7.208 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.657 8.909 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.476 8.153 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.270 4.196 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.535 4.967 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.949 5.370 -2.474 1.00 0.00 H new ATOM 825 N ALA A 56 5.095 10.734 -1.427 1.00 0.00 N ATOM 826 CA ALA A 56 4.538 11.976 -0.820 1.00 0.00 C ATOM 827 C ALA A 56 3.133 12.236 -1.373 1.00 0.00 C ATOM 828 O ALA A 56 2.528 11.375 -1.982 1.00 0.00 O ATOM 829 CB ALA A 56 5.455 13.153 -1.161 1.00 0.00 C ATOM 0 H ALA A 56 4.916 10.624 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 56 4.477 11.861 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.054 14.066 -0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.452 12.965 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.513 13.268 -2.243 1.00 0.00 H new ATOM 835 N LYS A 57 2.616 13.420 -1.162 1.00 0.00 N ATOM 836 CA LYS A 57 1.251 13.749 -1.667 1.00 0.00 C ATOM 837 C LYS A 57 1.325 14.106 -3.154 1.00 0.00 C ATOM 838 O LYS A 57 2.258 14.747 -3.601 1.00 0.00 O ATOM 839 CB LYS A 57 0.690 14.940 -0.884 1.00 0.00 C ATOM 840 CG LYS A 57 1.676 16.116 -0.944 1.00 0.00 C ATOM 841 CD LYS A 57 2.367 16.287 0.414 1.00 0.00 C ATOM 842 CE LYS A 57 2.619 17.773 0.675 1.00 0.00 C ATOM 843 NZ LYS A 57 3.463 18.333 -0.419 1.00 0.00 N ATOM 0 H LYS A 57 3.083 14.175 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 57 0.599 12.886 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.272 15.239 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.514 14.654 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.420 15.939 -1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.148 17.031 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.745 15.868 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.310 15.740 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.672 18.310 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.116 17.905 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.859 19.247 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.238 17.673 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.882 18.470 -1.270 1.00 0.00 H new ATOM 857 N GLY A 58 0.344 13.697 -3.917 1.00 0.00 N ATOM 858 CA GLY A 58 0.344 14.010 -5.378 1.00 0.00 C ATOM 859 C GLY A 58 1.141 12.944 -6.130 1.00 0.00 C ATOM 860 O GLY A 58 1.926 13.250 -7.007 1.00 0.00 O ATOM 0 H GLY A 58 -0.459 13.159 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.679 14.046 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.781 14.994 -5.550 1.00 0.00 H new ATOM 864 N ALA A 59 0.943 11.695 -5.793 1.00 0.00 N ATOM 865 CA ALA A 59 1.685 10.601 -6.484 1.00 0.00 C ATOM 866 C ALA A 59 0.729 9.441 -6.776 1.00 0.00 C ATOM 867 O ALA A 59 -0.438 9.490 -6.438 1.00 0.00 O ATOM 868 CB ALA A 59 2.827 10.115 -5.587 1.00 0.00 C ATOM 0 H ALA A 59 0.297 11.386 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 59 2.096 10.974 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.370 9.315 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.506 10.942 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.418 9.741 -4.648 1.00 0.00 H new ATOM 874 N GLU A 60 1.220 8.401 -7.402 1.00 0.00 N ATOM 875 CA GLU A 60 0.347 7.233 -7.720 1.00 0.00 C ATOM 876 C GLU A 60 1.059 5.940 -7.320 1.00 0.00 C ATOM 877 O GLU A 60 2.274 5.877 -7.281 1.00 0.00 O ATOM 878 CB GLU A 60 0.052 7.211 -9.221 1.00 0.00 C ATOM 879 CG GLU A 60 -1.052 8.222 -9.542 1.00 0.00 C ATOM 880 CD GLU A 60 -0.422 9.546 -9.980 1.00 0.00 C ATOM 881 OE1 GLU A 60 -0.099 9.666 -11.150 1.00 0.00 O ATOM 882 OE2 GLU A 60 -0.275 10.416 -9.138 1.00 0.00 O ATOM 0 H GLU A 60 2.189 8.312 -7.706 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.589 7.317 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.954 7.452 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.256 6.211 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.696 7.835 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.682 8.379 -8.666 1.00 0.00 H new ATOM 889 N ILE A 61 0.309 4.910 -7.022 1.00 0.00 N ATOM 890 CA ILE A 61 0.930 3.613 -6.620 1.00 0.00 C ATOM 891 C ILE A 61 0.131 2.459 -7.231 1.00 0.00 C ATOM 892 O ILE A 61 -1.077 2.528 -7.351 1.00 0.00 O ATOM 893 CB ILE A 61 0.919 3.494 -5.095 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.509 3.703 -4.577 1.00 0.00 C ATOM 895 CG2 ILE A 61 1.842 4.558 -4.496 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.553 3.498 -3.058 1.00 0.00 C ATOM 0 H ILE A 61 -0.711 4.912 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 61 1.959 3.573 -6.978 1.00 0.00 H new ATOM 0 HB ILE A 61 1.269 2.504 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.851 4.707 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.188 3.004 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.836 4.475 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.857 4.409 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.492 5.549 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.571 3.649 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.230 2.485 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.111 4.215 -2.575 1.00 0.00 H new ATOM 908 N THR A 62 0.800 1.403 -7.621 1.00 0.00 N ATOM 909 CA THR A 62 0.085 0.242 -8.229 1.00 0.00 C ATOM 910 C THR A 62 0.263 -0.996 -7.346 1.00 0.00 C ATOM 911 O THR A 62 1.362 -1.481 -7.157 1.00 0.00 O ATOM 912 CB THR A 62 0.660 -0.038 -9.620 1.00 0.00 C ATOM 913 OG1 THR A 62 1.118 1.179 -10.193 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.427 -0.645 -10.511 1.00 0.00 C ATOM 0 H THR A 62 1.811 1.296 -7.544 1.00 0.00 H new ATOM 0 HA THR A 62 -0.976 0.476 -8.311 1.00 0.00 H new ATOM 0 HB THR A 62 1.491 -0.738 -9.537 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.488 1.003 -11.083 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.017 -0.844 -11.501 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.780 -1.577 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.259 0.054 -10.597 1.00 0.00 H new ATOM 922 N ILE A 63 -0.815 -1.506 -6.809 1.00 0.00 N ATOM 923 CA ILE A 63 -0.728 -2.715 -5.937 1.00 0.00 C ATOM 924 C ILE A 63 -1.189 -3.942 -6.731 1.00 0.00 C ATOM 925 O ILE A 63 -2.002 -3.839 -7.630 1.00 0.00 O ATOM 926 CB ILE A 63 -1.626 -2.513 -4.709 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.136 -1.292 -3.923 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.573 -3.752 -3.809 1.00 0.00 C ATOM 929 CD1 ILE A 63 -2.102 -0.994 -2.775 1.00 0.00 C ATOM 0 H ILE A 63 -1.756 -1.135 -6.938 1.00 0.00 H new ATOM 0 HA ILE A 63 0.300 -2.868 -5.608 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.654 -2.356 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.136 -1.478 -3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.064 -0.428 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.214 -3.599 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.920 -4.622 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.548 -3.918 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.749 -0.125 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.094 -0.789 -3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.152 -1.855 -2.109 1.00 0.00 H new ATOM 941 N SER A 64 -0.672 -5.101 -6.404 1.00 0.00 N ATOM 942 CA SER A 64 -1.074 -6.337 -7.136 1.00 0.00 C ATOM 943 C SER A 64 -0.972 -7.546 -6.203 1.00 0.00 C ATOM 944 O SER A 64 0.105 -7.933 -5.792 1.00 0.00 O ATOM 945 CB SER A 64 -0.150 -6.540 -8.335 1.00 0.00 C ATOM 946 OG SER A 64 1.196 -6.316 -7.936 1.00 0.00 O ATOM 0 H SER A 64 0.012 -5.242 -5.660 1.00 0.00 H new ATOM 0 HA SER A 64 -2.103 -6.234 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.261 -7.551 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.422 -5.855 -9.138 1.00 0.00 H new ATOM 0 HG SER A 64 1.360 -6.758 -7.077 1.00 0.00 H new ATOM 952 N ALA A 65 -2.088 -8.146 -5.874 1.00 0.00 N ATOM 953 CA ALA A 65 -2.069 -9.337 -4.975 1.00 0.00 C ATOM 954 C ALA A 65 -1.931 -10.603 -5.826 1.00 0.00 C ATOM 955 O ALA A 65 -2.651 -10.791 -6.789 1.00 0.00 O ATOM 956 CB ALA A 65 -3.374 -9.393 -4.179 1.00 0.00 C ATOM 0 H ALA A 65 -3.014 -7.860 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.229 -9.267 -4.284 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.362 -10.262 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.475 -8.487 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.216 -9.469 -4.866 1.00 0.00 H new ATOM 962 N SER A 66 -1.010 -11.469 -5.481 1.00 0.00 N ATOM 963 CA SER A 66 -0.822 -12.721 -6.273 1.00 0.00 C ATOM 964 C SER A 66 -0.567 -13.899 -5.328 1.00 0.00 C ATOM 965 O SER A 66 0.535 -14.093 -4.850 1.00 0.00 O ATOM 966 CB SER A 66 0.369 -12.560 -7.219 1.00 0.00 C ATOM 967 OG SER A 66 0.602 -11.178 -7.462 1.00 0.00 O ATOM 0 H SER A 66 -0.381 -11.362 -4.685 1.00 0.00 H new ATOM 0 HA SER A 66 -1.723 -12.913 -6.855 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.257 -13.018 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.173 -13.077 -8.158 1.00 0.00 H new ATOM 0 HG SER A 66 1.366 -11.077 -8.067 1.00 0.00 H new ATOM 973 N GLY A 67 -1.579 -14.686 -5.062 1.00 0.00 N ATOM 974 CA GLY A 67 -1.408 -15.856 -4.151 1.00 0.00 C ATOM 975 C GLY A 67 -2.751 -16.566 -3.973 1.00 0.00 C ATOM 976 O GLY A 67 -3.499 -16.740 -4.916 1.00 0.00 O ATOM 0 H GLY A 67 -2.519 -14.567 -5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.672 -16.546 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.029 -15.525 -3.184 1.00 0.00 H new ATOM 980 N ALA A 68 -3.061 -16.975 -2.768 1.00 0.00 N ATOM 981 CA ALA A 68 -4.356 -17.674 -2.518 1.00 0.00 C ATOM 982 C ALA A 68 -5.476 -16.638 -2.388 1.00 0.00 C ATOM 983 O ALA A 68 -6.286 -16.473 -3.281 1.00 0.00 O ATOM 984 CB ALA A 68 -4.256 -18.486 -1.225 1.00 0.00 C ATOM 0 H ALA A 68 -2.470 -16.854 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.576 -18.344 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.201 -18.997 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.458 -19.223 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.037 -17.818 -0.392 1.00 0.00 H new ATOM 990 N ASP A 69 -5.524 -15.940 -1.282 1.00 0.00 N ATOM 991 CA ASP A 69 -6.585 -14.908 -1.085 1.00 0.00 C ATOM 992 C ASP A 69 -6.069 -13.548 -1.570 1.00 0.00 C ATOM 993 O ASP A 69 -6.150 -12.553 -0.875 1.00 0.00 O ATOM 994 CB ASP A 69 -6.950 -14.827 0.401 1.00 0.00 C ATOM 995 CG ASP A 69 -5.684 -14.603 1.231 1.00 0.00 C ATOM 996 OD1 ASP A 69 -5.169 -13.497 1.205 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.251 -15.541 1.879 1.00 0.00 O ATOM 0 H ASP A 69 -4.871 -16.041 -0.505 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.472 -15.181 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.655 -14.013 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.444 -15.746 0.715 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.534 -13.505 -2.765 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.001 -12.222 -3.317 1.00 0.00 C ATOM 1004 C GLU A 70 -6.123 -11.183 -3.403 1.00 0.00 C ATOM 1005 O GLU A 70 -5.892 -9.996 -3.267 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.420 -12.465 -4.716 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.425 -13.246 -5.572 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.060 -13.116 -7.055 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -3.892 -12.913 -7.348 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.957 -13.227 -7.875 1.00 0.00 O ATOM 0 H GLU A 70 -5.443 -14.309 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.218 -11.849 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.186 -11.513 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.485 -13.021 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.426 -14.296 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.433 -12.867 -5.402 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.336 -11.620 -3.629 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.477 -10.663 -3.727 1.00 0.00 C ATOM 1019 C ASN A 71 -8.838 -10.140 -2.333 1.00 0.00 C ATOM 1020 O ASN A 71 -9.216 -8.996 -2.170 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.691 -11.376 -4.329 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.676 -11.226 -5.852 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -8.544 -11.301 -6.495 1.00 0.00 O flip ATOM 1024 ND2 ASN A 71 -10.709 -11.041 -6.465 1.00 0.00 N flip ATOM 0 H ASN A 71 -7.585 -12.602 -3.750 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.189 -9.826 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.676 -12.432 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.610 -10.955 -3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.596 -10.982 -5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.689 -10.945 -7.480 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.735 -10.974 -1.330 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.082 -10.538 0.056 1.00 0.00 C ATOM 1033 C ASP A 72 -8.037 -9.546 0.579 1.00 0.00 C ATOM 1034 O ASP A 72 -8.320 -8.734 1.442 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.121 -11.759 0.980 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.032 -12.832 0.378 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -9.570 -13.553 -0.492 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.174 -12.916 0.798 1.00 0.00 O ATOM 0 H ASP A 72 -8.424 -11.942 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.058 -10.053 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.115 -12.157 1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.485 -11.470 1.966 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.828 -9.619 0.081 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.755 -8.701 0.567 1.00 0.00 C ATOM 1045 C ALA A 73 -5.884 -7.311 -0.066 1.00 0.00 C ATOM 1046 O ALA A 73 -5.753 -6.309 0.612 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.388 -9.290 0.212 1.00 0.00 C ATOM 0 H ALA A 73 -6.538 -10.277 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.856 -8.598 1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.602 -8.623 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.277 -10.265 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.310 -9.402 -0.869 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.111 -7.234 -1.356 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.212 -5.895 -2.015 1.00 0.00 C ATOM 1055 C LEU A 74 -7.367 -5.084 -1.415 1.00 0.00 C ATOM 1056 O LEU A 74 -7.230 -3.896 -1.182 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.400 -6.058 -3.533 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.747 -6.711 -3.854 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.833 -5.631 -3.980 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.630 -7.480 -5.174 1.00 0.00 C ATOM 0 H LEU A 74 -6.230 -8.035 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.284 -5.352 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.340 -5.083 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.592 -6.666 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.020 -7.397 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.789 -6.102 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.913 -5.084 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.568 -4.940 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.586 -7.948 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.357 -6.791 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.863 -8.249 -5.080 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.498 -5.700 -1.164 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.642 -4.933 -0.583 1.00 0.00 C ATOM 1074 C ASN A 75 -9.366 -4.639 0.895 1.00 0.00 C ATOM 1075 O ASN A 75 -9.873 -3.682 1.444 1.00 0.00 O ATOM 1076 CB ASN A 75 -10.957 -5.714 -0.736 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.906 -7.026 0.052 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.804 -8.084 -0.527 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -10.993 -7.002 1.355 1.00 0.00 N ATOM 0 H ASN A 75 -8.676 -6.690 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.744 -3.992 -1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.790 -5.105 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.140 -5.924 -1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.975 -7.874 1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.079 -6.111 1.844 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.564 -5.451 1.541 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.254 -5.210 2.980 1.00 0.00 C ATOM 1088 C ALA A 76 -7.504 -3.883 3.119 1.00 0.00 C ATOM 1089 O ALA A 76 -7.927 -2.992 3.833 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.381 -6.346 3.513 1.00 0.00 C ATOM 0 H ALA A 76 -8.112 -6.269 1.132 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.182 -5.169 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.155 -6.169 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.912 -7.292 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.452 -6.388 2.945 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.391 -3.747 2.443 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.606 -2.481 2.530 1.00 0.00 C ATOM 1098 C LEU A 77 -6.435 -1.317 1.982 1.00 0.00 C ATOM 1099 O LEU A 77 -6.261 -0.184 2.384 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.319 -2.624 1.715 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.566 -3.892 2.155 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.381 -4.825 0.957 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.193 -3.513 2.715 1.00 0.00 C ATOM 0 H LEU A 77 -5.992 -4.461 1.833 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.357 -2.282 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.554 -2.679 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.688 -1.747 1.857 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.146 -4.398 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.847 -5.721 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.357 -5.105 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.807 -4.315 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.665 -4.415 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.615 -3.000 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.320 -2.854 3.574 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.331 -1.587 1.063 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.173 -0.493 0.485 1.00 0.00 C ATOM 1117 C GLU A 78 -9.012 0.158 1.596 1.00 0.00 C ATOM 1118 O GLU A 78 -8.971 1.359 1.787 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.095 -1.083 -0.595 1.00 0.00 C ATOM 1120 CG GLU A 78 -10.003 0.010 -1.176 1.00 0.00 C ATOM 1121 CD GLU A 78 -10.497 -0.413 -2.562 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -10.659 -1.604 -2.776 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -10.710 0.462 -3.385 1.00 0.00 O ATOM 0 H GLU A 78 -7.515 -2.518 0.688 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.532 0.267 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.497 -1.529 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.703 -1.881 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.851 0.182 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.457 0.951 -1.245 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.776 -0.624 2.318 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.625 -0.055 3.408 1.00 0.00 C ATOM 1132 C GLU A 79 -9.746 0.650 4.446 1.00 0.00 C ATOM 1133 O GLU A 79 -10.187 1.561 5.120 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.418 -1.180 4.079 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.458 -2.259 4.582 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.153 -3.101 5.653 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.148 -3.730 5.330 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -10.680 -3.102 6.777 1.00 0.00 O ATOM 0 H GLU A 79 -9.848 -1.634 2.198 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.316 0.671 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.000 -0.782 4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.126 -1.611 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.141 -2.894 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.559 -1.799 4.993 1.00 0.00 H new ATOM 1145 N THR A 80 -8.508 0.239 4.576 1.00 0.00 N ATOM 1146 CA THR A 80 -7.602 0.894 5.565 1.00 0.00 C ATOM 1147 C THR A 80 -7.230 2.287 5.052 1.00 0.00 C ATOM 1148 O THR A 80 -7.079 3.222 5.813 1.00 0.00 O ATOM 1149 CB THR A 80 -6.332 0.055 5.731 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.688 -1.303 5.947 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.531 0.572 6.928 1.00 0.00 C ATOM 0 H THR A 80 -8.088 -0.521 4.040 1.00 0.00 H new ATOM 0 HA THR A 80 -8.106 0.977 6.528 1.00 0.00 H new ATOM 0 HB THR A 80 -5.724 0.132 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.960 -1.709 5.098 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.627 -0.025 7.046 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.258 1.614 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.137 0.496 7.831 1.00 0.00 H new ATOM 1159 N MET A 81 -7.091 2.423 3.759 1.00 0.00 N ATOM 1160 CA MET A 81 -6.736 3.744 3.166 1.00 0.00 C ATOM 1161 C MET A 81 -7.937 4.690 3.270 1.00 0.00 C ATOM 1162 O MET A 81 -7.784 5.895 3.341 1.00 0.00 O ATOM 1163 CB MET A 81 -6.366 3.549 1.692 1.00 0.00 C ATOM 1164 CG MET A 81 -4.936 2.992 1.581 1.00 0.00 C ATOM 1165 SD MET A 81 -3.822 4.259 0.917 1.00 0.00 S ATOM 1166 CE MET A 81 -3.152 3.279 -0.449 1.00 0.00 C ATOM 0 H MET A 81 -7.210 1.668 3.084 1.00 0.00 H new ATOM 0 HA MET A 81 -5.891 4.173 3.704 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.070 2.865 1.219 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.438 4.498 1.161 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.587 2.668 2.561 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.928 2.115 0.934 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.000 3.921 -1.317 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.200 2.841 -0.150 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.852 2.484 -0.704 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.130 4.149 3.271 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.349 5.004 3.364 1.00 0.00 C ATOM 1178 C LYS A 82 -10.667 5.311 4.833 1.00 0.00 C ATOM 1179 O LYS A 82 -11.327 6.287 5.137 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.531 4.263 2.735 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.431 4.341 1.210 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.492 3.438 0.580 1.00 0.00 C ATOM 1183 CE LYS A 82 -13.741 4.263 0.262 1.00 0.00 C ATOM 1184 NZ LYS A 82 -14.936 3.372 0.258 1.00 0.00 N ATOM 0 H LYS A 82 -9.311 3.147 3.211 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.171 5.940 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.534 3.222 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.470 4.703 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.571 5.370 0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.437 4.034 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.103 2.982 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.744 2.625 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.866 5.054 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.632 4.748 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.786 3.932 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.816 2.633 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.042 2.929 1.193 1.00 0.00 H new ATOM 1198 N SER A 83 -10.210 4.485 5.743 1.00 0.00 N ATOM 1199 CA SER A 83 -10.492 4.727 7.190 1.00 0.00 C ATOM 1200 C SER A 83 -9.763 5.989 7.652 1.00 0.00 C ATOM 1201 O SER A 83 -10.351 6.868 8.253 1.00 0.00 O ATOM 1202 CB SER A 83 -10.013 3.528 8.009 1.00 0.00 C ATOM 1203 OG SER A 83 -8.592 3.525 8.053 1.00 0.00 O ATOM 0 H SER A 83 -9.654 3.653 5.544 1.00 0.00 H new ATOM 0 HA SER A 83 -11.564 4.859 7.333 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.419 3.578 9.019 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.376 2.601 7.565 1.00 0.00 H new ATOM 0 HG SER A 83 -8.238 3.261 7.178 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.486 6.082 7.378 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.711 7.285 7.800 1.00 0.00 C ATOM 1211 C GLU A 84 -7.689 8.303 6.658 1.00 0.00 C ATOM 1212 O GLU A 84 -7.853 9.489 6.870 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.278 6.875 8.144 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.297 5.863 9.291 1.00 0.00 C ATOM 1215 CD GLU A 84 -4.862 5.555 9.724 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -4.109 5.060 8.901 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -4.541 5.820 10.871 1.00 0.00 O ATOM 0 H GLU A 84 -7.947 5.374 6.879 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.181 7.731 8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.793 6.440 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.696 7.752 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.864 6.261 10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.797 4.948 8.974 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.489 7.843 5.449 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.455 8.774 4.283 1.00 0.00 C ATOM 1226 C GLY A 85 -6.035 8.829 3.719 1.00 0.00 C ATOM 1227 O GLY A 85 -5.527 9.887 3.397 1.00 0.00 O ATOM 0 H GLY A 85 -7.347 6.859 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.151 8.437 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.775 9.770 4.589 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.392 7.696 3.597 1.00 0.00 N ATOM 1232 CA LEU A 86 -4.002 7.670 3.055 1.00 0.00 C ATOM 1233 C LEU A 86 -4.050 7.713 1.526 1.00 0.00 C ATOM 1234 O LEU A 86 -3.165 8.248 0.885 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.301 6.390 3.510 1.00 0.00 C ATOM 1236 CG LEU A 86 -3.072 6.444 5.021 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.486 5.114 5.492 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.093 7.574 5.354 1.00 0.00 C ATOM 0 H LEU A 86 -5.773 6.784 3.851 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.451 8.535 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.906 5.520 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.349 6.280 2.991 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.022 6.627 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.322 5.150 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.180 4.307 5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.537 4.935 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.932 7.610 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.143 7.393 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.506 8.525 5.017 1.00 0.00 H new ATOM 1250 N GLY A 87 -5.079 7.154 0.940 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.193 7.158 -0.548 1.00 0.00 C ATOM 1252 C GLY A 87 -6.567 6.621 -0.959 1.00 0.00 C ATOM 1253 O GLY A 87 -7.298 6.081 -0.150 1.00 0.00 O ATOM 0 H GLY A 87 -5.846 6.694 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.057 8.170 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.406 6.544 -0.985 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.918 6.764 -2.212 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.241 6.265 -2.688 1.00 0.00 C ATOM 1259 C GLU A 88 -8.068 5.571 -4.042 1.00 0.00 C ATOM 1260 O GLU A 88 -8.429 4.410 -4.141 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.209 7.441 -2.837 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.583 8.509 -3.737 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.347 9.824 -3.578 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -10.514 9.855 -3.932 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -8.752 10.778 -3.104 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.579 6.214 -4.955 1.00 0.00 O ATOM 0 H GLU A 88 -6.342 7.207 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.642 5.555 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.151 7.098 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.437 7.864 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.535 8.652 -3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.610 8.184 -4.777 1.00 0.00 H new TER 1273 GLU A 88