USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 MET CE :methyl -162:sc= -0.0801 (180deg=-0.392) USER MOD Set 2.1: A 48 GLN : amide:sc= 1.89 K(o=3.2,f=-3.8!) USER MOD Set 2.2: A 66 THR OG1 : rot 109:sc= 1.28 USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.00151) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 74:sc= -4.45! USER MOD Single : A 30 THR OG1 : rot -151:sc= -0.597 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.49 K(o=-1.5,f=-7.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -52:sc= -0.266 USER MOD Single : A 75 CYS SG : rot -2:sc= 0.0337 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 88 MET CE :methyl -160:sc= -0.0415 (180deg=-0.333) USER MOD Single : A 89 MET CE :methyl -108:sc= -0.179 (180deg=-1.16) USER MOD Single : A 91 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.013) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.077 10.096 -17.811 1.00 0.00 N ATOM 2 CA GLY A 1 -18.030 9.843 -18.784 1.00 0.00 C ATOM 3 C GLY A 1 -16.787 10.672 -18.527 1.00 0.00 C ATOM 4 O GLY A 1 -15.671 10.155 -18.559 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.898 9.493 -18.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.724 9.881 -16.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.360 11.096 -17.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.768 8.785 -18.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.407 10.059 -19.784 1.00 0.00 H new ATOM 8 N SER A 2 -16.980 11.962 -18.272 1.00 0.00 N ATOM 9 CA SER A 2 -15.865 12.865 -18.014 1.00 0.00 C ATOM 10 C SER A 2 -14.976 12.326 -16.898 1.00 0.00 C ATOM 11 O SER A 2 -13.777 12.122 -17.088 1.00 0.00 O ATOM 12 CB SER A 2 -16.383 14.256 -17.642 1.00 0.00 C ATOM 13 OG SER A 2 -15.351 15.223 -17.723 1.00 0.00 O ATOM 0 H SER A 2 -17.898 12.405 -18.239 1.00 0.00 H new ATOM 0 HA SER A 2 -15.271 12.938 -18.925 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.199 14.534 -18.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.790 14.238 -16.631 1.00 0.00 H new ATOM 0 HG SER A 2 -15.708 16.103 -17.482 1.00 0.00 H new ATOM 19 N SER A 3 -15.573 12.096 -15.733 1.00 0.00 N ATOM 20 CA SER A 3 -14.836 11.584 -14.584 1.00 0.00 C ATOM 21 C SER A 3 -15.183 10.121 -14.324 1.00 0.00 C ATOM 22 O SER A 3 -16.261 9.653 -14.687 1.00 0.00 O ATOM 23 CB SER A 3 -15.143 12.421 -13.340 1.00 0.00 C ATOM 24 OG SER A 3 -14.633 13.737 -13.473 1.00 0.00 O ATOM 0 H SER A 3 -16.565 12.256 -15.560 1.00 0.00 H new ATOM 0 HA SER A 3 -13.771 11.653 -14.807 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.221 12.459 -13.180 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.707 11.946 -12.461 1.00 0.00 H new ATOM 0 HG SER A 3 -14.843 14.252 -12.666 1.00 0.00 H new ATOM 30 N GLY A 4 -14.259 9.403 -13.692 1.00 0.00 N ATOM 31 CA GLY A 4 -14.484 8.001 -13.395 1.00 0.00 C ATOM 32 C GLY A 4 -13.843 7.575 -12.089 1.00 0.00 C ATOM 33 O GLY A 4 -13.080 8.332 -11.488 1.00 0.00 O ATOM 0 H GLY A 4 -13.359 9.768 -13.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.556 7.810 -13.349 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.086 7.392 -14.207 1.00 0.00 H new ATOM 37 N SER A 5 -14.153 6.361 -11.647 1.00 0.00 N ATOM 38 CA SER A 5 -13.606 5.838 -10.401 1.00 0.00 C ATOM 39 C SER A 5 -12.304 5.084 -10.653 1.00 0.00 C ATOM 40 O SER A 5 -12.314 3.940 -11.106 1.00 0.00 O ATOM 41 CB SER A 5 -14.620 4.914 -9.722 1.00 0.00 C ATOM 42 OG SER A 5 -14.331 4.766 -8.343 1.00 0.00 O ATOM 0 H SER A 5 -14.780 5.721 -12.134 1.00 0.00 H new ATOM 0 HA SER A 5 -13.396 6.681 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.625 5.319 -9.845 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.608 3.938 -10.206 1.00 0.00 H new ATOM 0 HG SER A 5 -14.994 4.173 -7.932 1.00 0.00 H new ATOM 48 N SER A 6 -11.184 5.735 -10.357 1.00 0.00 N ATOM 49 CA SER A 6 -9.872 5.130 -10.554 1.00 0.00 C ATOM 50 C SER A 6 -9.780 3.787 -9.837 1.00 0.00 C ATOM 51 O SER A 6 -10.225 3.647 -8.698 1.00 0.00 O ATOM 52 CB SER A 6 -8.773 6.067 -10.050 1.00 0.00 C ATOM 53 OG SER A 6 -8.605 7.171 -10.922 1.00 0.00 O ATOM 0 H SER A 6 -11.159 6.682 -9.980 1.00 0.00 H new ATOM 0 HA SER A 6 -9.734 4.962 -11.622 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.024 6.423 -9.051 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.834 5.520 -9.966 1.00 0.00 H new ATOM 0 HG SER A 6 -7.898 7.756 -10.577 1.00 0.00 H new ATOM 59 N GLY A 7 -9.198 2.800 -10.512 1.00 0.00 N ATOM 60 CA GLY A 7 -9.058 1.481 -9.924 1.00 0.00 C ATOM 61 C GLY A 7 -9.959 0.454 -10.581 1.00 0.00 C ATOM 62 O GLY A 7 -11.005 0.797 -11.134 1.00 0.00 O ATOM 0 H GLY A 7 -8.821 2.891 -11.455 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.021 1.157 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.289 1.535 -8.860 1.00 0.00 H new ATOM 66 N THR A 8 -9.554 -0.811 -10.523 1.00 0.00 N ATOM 67 CA THR A 8 -10.331 -1.890 -11.120 1.00 0.00 C ATOM 68 C THR A 8 -11.047 -2.707 -10.051 1.00 0.00 C ATOM 69 O THR A 8 -10.507 -2.943 -8.970 1.00 0.00 O ATOM 70 CB THR A 8 -9.440 -2.828 -11.956 1.00 0.00 C ATOM 71 OG1 THR A 8 -8.798 -2.090 -13.002 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.259 -3.961 -12.556 1.00 0.00 C ATOM 0 H THR A 8 -8.692 -1.113 -10.069 1.00 0.00 H new ATOM 0 HA THR A 8 -11.069 -1.425 -11.773 1.00 0.00 H new ATOM 0 HB THR A 8 -8.684 -3.257 -11.298 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.232 -2.693 -13.528 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.608 -4.610 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.722 -4.538 -11.756 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.035 -3.548 -13.201 1.00 0.00 H new ATOM 80 N ASP A 9 -12.265 -3.138 -10.359 1.00 0.00 N ATOM 81 CA ASP A 9 -13.055 -3.931 -9.425 1.00 0.00 C ATOM 82 C ASP A 9 -13.546 -5.217 -10.083 1.00 0.00 C ATOM 83 O ASP A 9 -14.666 -5.297 -10.588 1.00 0.00 O ATOM 84 CB ASP A 9 -14.246 -3.119 -8.913 1.00 0.00 C ATOM 85 CG ASP A 9 -14.974 -2.394 -10.028 1.00 0.00 C ATOM 86 OD1 ASP A 9 -14.393 -1.447 -10.597 1.00 0.00 O ATOM 87 OD2 ASP A 9 -16.125 -2.773 -10.330 1.00 0.00 O ATOM 0 H ASP A 9 -12.727 -2.951 -11.249 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.417 -4.196 -8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.942 -3.783 -8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.898 -2.393 -8.178 1.00 0.00 H new ATOM 92 N PRO A 10 -12.688 -6.248 -10.080 1.00 0.00 N ATOM 93 CA PRO A 10 -13.012 -7.549 -10.673 1.00 0.00 C ATOM 94 C PRO A 10 -14.072 -8.302 -9.877 1.00 0.00 C ATOM 95 O PRO A 10 -14.496 -7.855 -8.812 1.00 0.00 O ATOM 96 CB PRO A 10 -11.678 -8.300 -10.631 1.00 0.00 C ATOM 97 CG PRO A 10 -10.924 -7.670 -9.511 1.00 0.00 C ATOM 98 CD PRO A 10 -11.336 -6.224 -9.496 1.00 0.00 C ATOM 0 HA PRO A 10 -13.429 -7.447 -11.675 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.829 -9.365 -10.457 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.140 -8.204 -11.574 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.159 -8.153 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.849 -7.768 -9.661 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.343 -5.819 -8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.656 -5.606 -10.083 1.00 0.00 H new ATOM 106 N GLY A 11 -14.497 -9.447 -10.401 1.00 0.00 N ATOM 107 CA GLY A 11 -15.505 -10.244 -9.725 1.00 0.00 C ATOM 108 C GLY A 11 -14.981 -11.601 -9.299 1.00 0.00 C ATOM 109 O GLY A 11 -15.349 -12.624 -9.877 1.00 0.00 O ATOM 0 H GLY A 11 -14.162 -9.838 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.863 -9.704 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.361 -10.380 -10.387 1.00 0.00 H new ATOM 113 N ALA A 12 -14.120 -11.611 -8.288 1.00 0.00 N ATOM 114 CA ALA A 12 -13.546 -12.853 -7.785 1.00 0.00 C ATOM 115 C ALA A 12 -13.143 -12.719 -6.321 1.00 0.00 C ATOM 116 O ALA A 12 -12.413 -11.801 -5.950 1.00 0.00 O ATOM 117 CB ALA A 12 -12.346 -13.259 -8.629 1.00 0.00 C ATOM 0 H ALA A 12 -13.804 -10.773 -7.800 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.307 -13.630 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.927 -14.188 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.661 -13.405 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.590 -12.475 -8.587 1.00 0.00 H new ATOM 123 N GLU A 13 -13.626 -13.641 -5.493 1.00 0.00 N ATOM 124 CA GLU A 13 -13.316 -13.623 -4.068 1.00 0.00 C ATOM 125 C GLU A 13 -11.811 -13.528 -3.839 1.00 0.00 C ATOM 126 O GLU A 13 -11.023 -14.130 -4.567 1.00 0.00 O ATOM 127 CB GLU A 13 -13.868 -14.878 -3.388 1.00 0.00 C ATOM 128 CG GLU A 13 -13.062 -16.133 -3.680 1.00 0.00 C ATOM 129 CD GLU A 13 -13.557 -17.338 -2.904 1.00 0.00 C ATOM 130 OE1 GLU A 13 -14.664 -17.828 -3.210 1.00 0.00 O ATOM 131 OE2 GLU A 13 -12.837 -17.791 -1.990 1.00 0.00 O ATOM 0 H GLU A 13 -14.232 -14.408 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.788 -12.743 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.894 -14.716 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.897 -15.034 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.107 -16.349 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.015 -15.953 -3.435 1.00 0.00 H new ATOM 138 N GLU A 14 -11.420 -12.766 -2.821 1.00 0.00 N ATOM 139 CA GLU A 14 -10.009 -12.591 -2.498 1.00 0.00 C ATOM 140 C GLU A 14 -9.826 -12.277 -1.015 1.00 0.00 C ATOM 141 O GLU A 14 -10.714 -11.713 -0.374 1.00 0.00 O ATOM 142 CB GLU A 14 -9.404 -11.471 -3.346 1.00 0.00 C ATOM 143 CG GLU A 14 -9.886 -10.084 -2.956 1.00 0.00 C ATOM 144 CD GLU A 14 -11.343 -9.853 -3.305 1.00 0.00 C ATOM 145 OE1 GLU A 14 -11.642 -9.657 -4.502 1.00 0.00 O ATOM 146 OE2 GLU A 14 -12.185 -9.869 -2.383 1.00 0.00 O ATOM 0 H GLU A 14 -12.060 -12.261 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.493 -13.525 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.318 -11.507 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.646 -11.649 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.746 -9.943 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.273 -9.336 -3.458 1.00 0.00 H new ATOM 153 N LEU A 15 -8.669 -12.647 -0.477 1.00 0.00 N ATOM 154 CA LEU A 15 -8.368 -12.406 0.930 1.00 0.00 C ATOM 155 C LEU A 15 -8.839 -11.019 1.358 1.00 0.00 C ATOM 156 O LEU A 15 -8.824 -10.064 0.580 1.00 0.00 O ATOM 157 CB LEU A 15 -6.866 -12.547 1.182 1.00 0.00 C ATOM 158 CG LEU A 15 -6.281 -13.945 0.980 1.00 0.00 C ATOM 159 CD1 LEU A 15 -4.787 -13.863 0.704 1.00 0.00 C ATOM 160 CD2 LEU A 15 -6.553 -14.819 2.195 1.00 0.00 C ATOM 0 H LEU A 15 -7.924 -13.115 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.901 -13.150 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.341 -11.856 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.658 -12.232 2.205 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.766 -14.399 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.387 -14.867 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.615 -13.274 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.287 -13.389 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.129 -15.810 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.096 -14.369 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.629 -14.905 2.348 1.00 0.00 H new ATOM 172 N PRO A 16 -9.266 -10.903 2.624 1.00 0.00 N ATOM 173 CA PRO A 16 -9.746 -9.637 3.184 1.00 0.00 C ATOM 174 C PRO A 16 -8.624 -8.621 3.366 1.00 0.00 C ATOM 175 O PRO A 16 -7.629 -8.894 4.036 1.00 0.00 O ATOM 176 CB PRO A 16 -10.323 -10.046 4.542 1.00 0.00 C ATOM 177 CG PRO A 16 -9.592 -11.293 4.904 1.00 0.00 C ATOM 178 CD PRO A 16 -9.312 -11.999 3.606 1.00 0.00 C ATOM 0 HA PRO A 16 -10.467 -9.149 2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.170 -9.266 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.397 -10.221 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.666 -11.064 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.190 -11.918 5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.370 -12.546 3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.092 -12.722 3.365 1.00 0.00 H new ATOM 186 N ALA A 17 -8.792 -7.447 2.766 1.00 0.00 N ATOM 187 CA ALA A 17 -7.794 -6.389 2.864 1.00 0.00 C ATOM 188 C ALA A 17 -8.405 -5.107 3.420 1.00 0.00 C ATOM 189 O ALA A 17 -9.445 -4.649 2.946 1.00 0.00 O ATOM 190 CB ALA A 17 -7.164 -6.129 1.503 1.00 0.00 C ATOM 0 H ALA A 17 -9.610 -7.205 2.207 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.018 -6.719 3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.421 -5.337 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.683 -7.039 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.936 -5.825 0.797 1.00 0.00 H new ATOM 196 N ARG A 18 -7.754 -4.534 4.426 1.00 0.00 N ATOM 197 CA ARG A 18 -8.235 -3.306 5.047 1.00 0.00 C ATOM 198 C ARG A 18 -7.950 -2.099 4.159 1.00 0.00 C ATOM 199 O ARG A 18 -6.804 -1.665 4.035 1.00 0.00 O ATOM 200 CB ARG A 18 -7.581 -3.111 6.416 1.00 0.00 C ATOM 201 CG ARG A 18 -8.331 -3.788 7.552 1.00 0.00 C ATOM 202 CD ARG A 18 -7.395 -4.170 8.688 1.00 0.00 C ATOM 203 NE ARG A 18 -8.088 -4.227 9.972 1.00 0.00 N ATOM 204 CZ ARG A 18 -7.519 -4.650 11.096 1.00 0.00 C ATOM 205 NH1 ARG A 18 -6.255 -5.049 11.094 1.00 0.00 N ATOM 206 NH2 ARG A 18 -8.216 -4.673 12.225 1.00 0.00 N ATOM 0 H ARG A 18 -6.892 -4.900 4.829 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.314 -3.393 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.563 -3.500 6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.508 -2.044 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.106 -3.120 7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.833 -4.680 7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.944 -5.140 8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.582 -3.446 8.747 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.062 -3.926 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.716 -5.032 10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.821 -5.373 11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.189 -4.366 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.779 -4.998 13.088 1.00 0.00 H new ATOM 220 N ILE A 19 -8.998 -1.564 3.542 1.00 0.00 N ATOM 221 CA ILE A 19 -8.859 -0.408 2.665 1.00 0.00 C ATOM 222 C ILE A 19 -8.676 0.874 3.471 1.00 0.00 C ATOM 223 O ILE A 19 -9.595 1.328 4.153 1.00 0.00 O ATOM 224 CB ILE A 19 -10.083 -0.251 1.743 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.514 -1.612 1.195 1.00 0.00 C ATOM 226 CG2 ILE A 19 -9.768 0.709 0.605 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.393 -2.375 0.523 1.00 0.00 C ATOM 0 H ILE A 19 -9.952 -1.912 3.633 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.973 -0.580 2.054 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.907 0.163 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.914 -2.213 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.324 -1.467 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.642 0.810 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.504 1.684 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.932 0.321 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.771 -3.330 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.008 -1.793 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.592 -2.552 1.241 1.00 0.00 H new ATOM 239 N PHE A 20 -7.483 1.454 3.387 1.00 0.00 N ATOM 240 CA PHE A 20 -7.179 2.684 4.108 1.00 0.00 C ATOM 241 C PHE A 20 -6.847 3.815 3.138 1.00 0.00 C ATOM 242 O PHE A 20 -5.951 3.689 2.303 1.00 0.00 O ATOM 243 CB PHE A 20 -6.009 2.462 5.068 1.00 0.00 C ATOM 244 CG PHE A 20 -6.433 1.992 6.430 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.173 0.830 6.577 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.092 2.712 7.564 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.565 0.394 7.829 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.480 2.281 8.818 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.219 1.121 8.951 1.00 0.00 C ATOM 0 H PHE A 20 -6.711 1.092 2.827 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.062 2.967 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.328 1.729 4.635 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.452 3.393 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.447 0.258 5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.516 3.621 7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.141 -0.514 7.929 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.206 2.850 9.694 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.525 0.784 9.930 1.00 0.00 H new ATOM 259 N VAL A 21 -7.577 4.920 3.254 1.00 0.00 N ATOM 260 CA VAL A 21 -7.361 6.073 2.389 1.00 0.00 C ATOM 261 C VAL A 21 -6.369 7.049 3.012 1.00 0.00 C ATOM 262 O VAL A 21 -6.337 7.225 4.229 1.00 0.00 O ATOM 263 CB VAL A 21 -8.680 6.813 2.100 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.069 7.692 3.279 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.561 7.637 0.827 1.00 0.00 C ATOM 0 H VAL A 21 -8.323 5.041 3.939 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.953 5.694 1.452 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.467 6.073 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.004 8.207 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.198 7.073 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.284 8.427 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.502 8.153 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.762 8.370 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.333 6.980 -0.012 1.00 0.00 H new ATOM 275 N ALA A 22 -5.561 7.683 2.168 1.00 0.00 N ATOM 276 CA ALA A 22 -4.570 8.644 2.635 1.00 0.00 C ATOM 277 C ALA A 22 -5.209 10.000 2.916 1.00 0.00 C ATOM 278 O ALA A 22 -5.800 10.615 2.027 1.00 0.00 O ATOM 279 CB ALA A 22 -3.451 8.787 1.614 1.00 0.00 C ATOM 0 H ALA A 22 -5.574 7.548 1.157 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.150 8.270 3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.718 9.508 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.968 7.821 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.865 9.134 0.667 1.00 0.00 H new ATOM 285 N LEU A 23 -5.088 10.460 4.156 1.00 0.00 N ATOM 286 CA LEU A 23 -5.655 11.744 4.554 1.00 0.00 C ATOM 287 C LEU A 23 -4.781 12.898 4.075 1.00 0.00 C ATOM 288 O LEU A 23 -5.281 13.971 3.737 1.00 0.00 O ATOM 289 CB LEU A 23 -5.811 11.805 6.075 1.00 0.00 C ATOM 290 CG LEU A 23 -6.787 10.801 6.690 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.890 11.010 8.193 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.156 10.920 6.038 1.00 0.00 C ATOM 0 H LEU A 23 -4.603 9.963 4.903 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.636 11.839 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.831 11.653 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.135 12.810 6.347 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.407 9.796 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.589 10.287 8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.909 10.873 8.647 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.246 12.020 8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.837 10.198 6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.544 11.928 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.069 10.720 4.970 1.00 0.00 H new ATOM 304 N PHE A 24 -3.472 12.669 4.045 1.00 0.00 N ATOM 305 CA PHE A 24 -2.527 13.689 3.605 1.00 0.00 C ATOM 306 C PHE A 24 -1.358 13.059 2.854 1.00 0.00 C ATOM 307 O PHE A 24 -0.951 11.934 3.147 1.00 0.00 O ATOM 308 CB PHE A 24 -2.008 14.485 4.804 1.00 0.00 C ATOM 309 CG PHE A 24 -3.070 14.802 5.818 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.926 15.875 5.632 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.212 14.026 6.958 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.905 16.169 6.563 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.189 14.315 7.891 1.00 0.00 C ATOM 314 CZ PHE A 24 -5.036 15.388 7.695 1.00 0.00 C ATOM 0 H PHE A 24 -3.042 11.786 4.320 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.049 14.365 2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.212 13.920 5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.567 15.416 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.828 16.489 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.552 13.187 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.566 17.008 6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.290 13.702 8.774 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.799 15.616 8.425 1.00 0.00 H new ATOM 324 N ASP A 25 -0.821 13.792 1.885 1.00 0.00 N ATOM 325 CA ASP A 25 0.302 13.307 1.091 1.00 0.00 C ATOM 326 C ASP A 25 1.446 12.850 1.991 1.00 0.00 C ATOM 327 O ASP A 25 1.712 13.456 3.029 1.00 0.00 O ATOM 328 CB ASP A 25 0.790 14.399 0.139 1.00 0.00 C ATOM 329 CG ASP A 25 -0.352 15.161 -0.504 1.00 0.00 C ATOM 330 OD1 ASP A 25 -0.952 16.019 0.178 1.00 0.00 O ATOM 331 OD2 ASP A 25 -0.647 14.900 -1.689 1.00 0.00 O ATOM 0 H ASP A 25 -1.145 14.725 1.630 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.040 12.453 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.425 15.096 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.406 13.949 -0.639 1.00 0.00 H new ATOM 336 N TYR A 26 2.118 11.779 1.586 1.00 0.00 N ATOM 337 CA TYR A 26 3.231 11.238 2.357 1.00 0.00 C ATOM 338 C TYR A 26 4.462 11.047 1.477 1.00 0.00 C ATOM 339 O TYR A 26 4.432 10.292 0.505 1.00 0.00 O ATOM 340 CB TYR A 26 2.837 9.907 2.998 1.00 0.00 C ATOM 341 CG TYR A 26 4.011 9.125 3.542 1.00 0.00 C ATOM 342 CD1 TYR A 26 5.074 9.770 4.161 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.057 7.740 3.437 1.00 0.00 C ATOM 344 CE1 TYR A 26 6.149 9.060 4.659 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.127 7.021 3.933 1.00 0.00 C ATOM 346 CZ TYR A 26 6.171 7.686 4.543 1.00 0.00 C ATOM 347 OH TYR A 26 7.239 6.974 5.039 1.00 0.00 O ATOM 0 H TYR A 26 1.912 11.268 0.728 1.00 0.00 H new ATOM 0 HA TYR A 26 3.476 11.953 3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.132 10.098 3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.317 9.298 2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.060 10.846 4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.242 7.217 2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.968 9.578 5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.146 5.945 3.844 1.00 0.00 H new ATOM 0 HH TYR A 26 7.190 6.950 6.017 1.00 0.00 H new ATOM 357 N ASP A 27 5.543 11.736 1.825 1.00 0.00 N ATOM 358 CA ASP A 27 6.786 11.641 1.068 1.00 0.00 C ATOM 359 C ASP A 27 7.927 11.154 1.956 1.00 0.00 C ATOM 360 O ASP A 27 8.513 11.912 2.728 1.00 0.00 O ATOM 361 CB ASP A 27 7.142 12.999 0.459 1.00 0.00 C ATOM 362 CG ASP A 27 8.011 12.869 -0.776 1.00 0.00 C ATOM 363 OD1 ASP A 27 7.724 11.988 -1.614 1.00 0.00 O ATOM 364 OD2 ASP A 27 8.977 13.649 -0.906 1.00 0.00 O ATOM 0 H ASP A 27 5.584 12.366 2.626 1.00 0.00 H new ATOM 0 HA ASP A 27 6.640 10.918 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.226 13.530 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.661 13.603 1.203 1.00 0.00 H new ATOM 369 N PRO A 28 8.250 9.856 1.845 1.00 0.00 N ATOM 370 CA PRO A 28 9.323 9.238 2.631 1.00 0.00 C ATOM 371 C PRO A 28 10.705 9.720 2.204 1.00 0.00 C ATOM 372 O PRO A 28 11.651 9.699 2.992 1.00 0.00 O ATOM 373 CB PRO A 28 9.162 7.745 2.336 1.00 0.00 C ATOM 374 CG PRO A 28 8.494 7.691 1.006 1.00 0.00 C ATOM 375 CD PRO A 28 7.594 8.894 0.945 1.00 0.00 C ATOM 0 HA PRO A 28 9.250 9.488 3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.127 7.239 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.561 7.253 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.227 7.711 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.922 6.770 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.513 9.284 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.583 8.657 1.278 1.00 0.00 H new ATOM 383 N LEU A 29 10.816 10.153 0.953 1.00 0.00 N ATOM 384 CA LEU A 29 12.083 10.641 0.422 1.00 0.00 C ATOM 385 C LEU A 29 12.506 11.930 1.119 1.00 0.00 C ATOM 386 O LEU A 29 13.694 12.166 1.345 1.00 0.00 O ATOM 387 CB LEU A 29 11.970 10.876 -1.086 1.00 0.00 C ATOM 388 CG LEU A 29 11.318 9.753 -1.893 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.254 10.124 -3.367 1.00 0.00 C ATOM 390 CD2 LEU A 29 12.077 8.448 -1.702 1.00 0.00 C ATOM 0 H LEU A 29 10.043 10.176 0.288 1.00 0.00 H new ATOM 0 HA LEU A 29 12.843 9.883 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.401 11.791 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.971 11.048 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 29 10.300 9.614 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.787 9.313 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.666 11.034 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.263 10.291 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.598 7.660 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.106 8.573 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.071 8.175 -0.647 1.00 0.00 H new ATOM 402 N THR A 30 11.527 12.761 1.459 1.00 0.00 N ATOM 403 CA THR A 30 11.796 14.026 2.132 1.00 0.00 C ATOM 404 C THR A 30 11.546 13.916 3.631 1.00 0.00 C ATOM 405 O THR A 30 12.385 14.309 4.441 1.00 0.00 O ATOM 406 CB THR A 30 10.928 15.163 1.560 1.00 0.00 C ATOM 407 OG1 THR A 30 9.543 14.884 1.789 1.00 0.00 O ATOM 408 CG2 THR A 30 11.177 15.335 0.069 1.00 0.00 C ATOM 0 H THR A 30 10.539 12.581 1.279 1.00 0.00 H new ATOM 0 HA THR A 30 12.847 14.259 1.958 1.00 0.00 H new ATOM 0 HB THR A 30 11.200 16.089 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.005 15.299 1.083 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.553 16.143 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.227 15.576 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.930 14.409 -0.450 1.00 0.00 H new ATOM 416 N MET A 31 10.386 13.378 3.995 1.00 0.00 N ATOM 417 CA MET A 31 10.026 13.215 5.398 1.00 0.00 C ATOM 418 C MET A 31 11.087 12.409 6.141 1.00 0.00 C ATOM 419 O MET A 31 11.747 12.920 7.046 1.00 0.00 O ATOM 420 CB MET A 31 8.666 12.525 5.521 1.00 0.00 C ATOM 421 CG MET A 31 7.499 13.401 5.095 1.00 0.00 C ATOM 422 SD MET A 31 5.968 12.982 5.949 1.00 0.00 S ATOM 423 CE MET A 31 4.866 14.238 5.305 1.00 0.00 C ATOM 0 H MET A 31 9.680 13.048 3.337 1.00 0.00 H new ATOM 0 HA MET A 31 9.965 14.205 5.849 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.671 11.620 4.914 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.518 12.214 6.555 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.744 14.445 5.288 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.349 13.303 4.020 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.875 14.111 5.741 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.251 15.225 5.560 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.800 14.143 4.221 1.00 0.00 H new ATOM 433 N SER A 32 11.246 11.148 5.753 1.00 0.00 N ATOM 434 CA SER A 32 12.224 10.270 6.385 1.00 0.00 C ATOM 435 C SER A 32 13.626 10.864 6.292 1.00 0.00 C ATOM 436 O SER A 32 14.066 11.319 5.236 1.00 0.00 O ATOM 437 CB SER A 32 12.198 8.888 5.732 1.00 0.00 C ATOM 438 OG SER A 32 12.730 7.903 6.601 1.00 0.00 O ATOM 0 H SER A 32 10.710 10.711 5.003 1.00 0.00 H new ATOM 0 HA SER A 32 11.960 10.170 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.174 8.627 5.466 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.773 8.909 4.806 1.00 0.00 H new ATOM 0 HG SER A 32 12.701 7.028 6.161 1.00 0.00 H new ATOM 444 N PRO A 33 14.347 10.859 7.423 1.00 0.00 N ATOM 445 CA PRO A 33 15.710 11.392 7.495 1.00 0.00 C ATOM 446 C PRO A 33 16.712 10.527 6.738 1.00 0.00 C ATOM 447 O PRO A 33 17.852 10.932 6.516 1.00 0.00 O ATOM 448 CB PRO A 33 16.017 11.378 8.995 1.00 0.00 C ATOM 449 CG PRO A 33 15.137 10.313 9.552 1.00 0.00 C ATOM 450 CD PRO A 33 13.886 10.332 8.719 1.00 0.00 C ATOM 0 HA PRO A 33 15.786 12.379 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 33 17.069 11.160 9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.806 12.345 9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.624 9.339 9.503 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.910 10.503 10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.456 9.336 8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.118 10.967 9.161 1.00 0.00 H new ATOM 458 N ASN A 34 16.278 9.335 6.344 1.00 0.00 N ATOM 459 CA ASN A 34 17.138 8.412 5.612 1.00 0.00 C ATOM 460 C ASN A 34 16.478 7.972 4.308 1.00 0.00 C ATOM 461 O ASN A 34 15.324 7.544 4.281 1.00 0.00 O ATOM 462 CB ASN A 34 17.458 7.188 6.472 1.00 0.00 C ATOM 463 CG ASN A 34 18.650 6.410 5.949 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.739 6.117 4.756 1.00 0.00 O ATOM 465 ND2 ASN A 34 19.573 6.070 6.841 1.00 0.00 N ATOM 0 H ASN A 34 15.336 8.985 6.519 1.00 0.00 H new ATOM 0 HA ASN A 34 18.066 8.932 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.657 7.508 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.587 6.534 6.506 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.397 5.545 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.458 6.334 7.820 1.00 0.00 H new ATOM 472 N PRO A 35 17.227 8.079 3.200 1.00 0.00 N ATOM 473 CA PRO A 35 16.736 7.697 1.873 1.00 0.00 C ATOM 474 C PRO A 35 16.566 6.188 1.731 1.00 0.00 C ATOM 475 O PRO A 35 15.512 5.710 1.311 1.00 0.00 O ATOM 476 CB PRO A 35 17.831 8.203 0.931 1.00 0.00 C ATOM 477 CG PRO A 35 19.064 8.238 1.767 1.00 0.00 C ATOM 478 CD PRO A 35 18.611 8.581 3.159 1.00 0.00 C ATOM 0 HA PRO A 35 15.751 8.115 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.953 7.541 0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.590 9.191 0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.575 7.275 1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.769 8.980 1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.235 8.102 3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.655 9.654 3.343 1.00 0.00 H new ATOM 486 N ASP A 36 17.608 5.444 2.083 1.00 0.00 N ATOM 487 CA ASP A 36 17.573 3.989 1.996 1.00 0.00 C ATOM 488 C ASP A 36 16.446 3.420 2.852 1.00 0.00 C ATOM 489 O ASP A 36 15.671 2.579 2.396 1.00 0.00 O ATOM 490 CB ASP A 36 18.913 3.398 2.437 1.00 0.00 C ATOM 491 CG ASP A 36 20.072 3.900 1.597 1.00 0.00 C ATOM 492 OD1 ASP A 36 20.580 5.003 1.888 1.00 0.00 O ATOM 493 OD2 ASP A 36 20.470 3.191 0.650 1.00 0.00 O ATOM 0 H ASP A 36 18.488 5.824 2.431 1.00 0.00 H new ATOM 0 HA ASP A 36 17.389 3.716 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.091 3.649 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.866 2.311 2.373 1.00 0.00 H new ATOM 498 N ALA A 37 16.362 3.884 4.094 1.00 0.00 N ATOM 499 CA ALA A 37 15.329 3.422 5.014 1.00 0.00 C ATOM 500 C ALA A 37 13.936 3.696 4.457 1.00 0.00 C ATOM 501 O ALA A 37 13.029 2.878 4.600 1.00 0.00 O ATOM 502 CB ALA A 37 15.497 4.086 6.372 1.00 0.00 C ATOM 0 H ALA A 37 16.996 4.579 4.487 1.00 0.00 H new ATOM 0 HA ALA A 37 15.438 2.344 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.719 3.732 7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.476 3.835 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.417 5.167 6.261 1.00 0.00 H new ATOM 508 N ALA A 38 13.775 4.853 3.823 1.00 0.00 N ATOM 509 CA ALA A 38 12.492 5.234 3.244 1.00 0.00 C ATOM 510 C ALA A 38 11.926 4.113 2.379 1.00 0.00 C ATOM 511 O ALA A 38 10.722 3.861 2.384 1.00 0.00 O ATOM 512 CB ALA A 38 12.640 6.510 2.429 1.00 0.00 C ATOM 0 H ALA A 38 14.516 5.542 3.697 1.00 0.00 H new ATOM 0 HA ALA A 38 11.792 5.416 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.675 6.783 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.993 7.315 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.359 6.347 1.626 1.00 0.00 H new ATOM 518 N GLU A 39 12.803 3.445 1.636 1.00 0.00 N ATOM 519 CA GLU A 39 12.388 2.352 0.764 1.00 0.00 C ATOM 520 C GLU A 39 11.341 1.478 1.448 1.00 0.00 C ATOM 521 O GLU A 39 10.315 1.144 0.856 1.00 0.00 O ATOM 522 CB GLU A 39 13.596 1.502 0.365 1.00 0.00 C ATOM 523 CG GLU A 39 14.488 2.162 -0.673 1.00 0.00 C ATOM 524 CD GLU A 39 15.659 1.287 -1.076 1.00 0.00 C ATOM 525 OE1 GLU A 39 15.545 0.049 -0.953 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.690 1.839 -1.515 1.00 0.00 O ATOM 0 H GLU A 39 13.804 3.641 1.620 1.00 0.00 H new ATOM 0 HA GLU A 39 11.945 2.785 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.187 1.285 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.245 0.547 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.896 2.400 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.863 3.106 -0.277 1.00 0.00 H new ATOM 533 N GLU A 40 11.608 1.113 2.697 1.00 0.00 N ATOM 534 CA GLU A 40 10.690 0.276 3.461 1.00 0.00 C ATOM 535 C GLU A 40 9.300 0.904 3.516 1.00 0.00 C ATOM 536 O GLU A 40 8.290 0.211 3.394 1.00 0.00 O ATOM 537 CB GLU A 40 11.220 0.061 4.880 1.00 0.00 C ATOM 538 CG GLU A 40 12.600 -0.574 4.924 1.00 0.00 C ATOM 539 CD GLU A 40 12.548 -2.087 4.835 1.00 0.00 C ATOM 540 OE1 GLU A 40 12.303 -2.734 5.874 1.00 0.00 O ATOM 541 OE2 GLU A 40 12.753 -2.624 3.726 1.00 0.00 O ATOM 0 H GLU A 40 12.452 1.383 3.202 1.00 0.00 H new ATOM 0 HA GLU A 40 10.616 -0.689 2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.254 1.021 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.521 -0.571 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.201 -0.186 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.100 -0.285 5.849 1.00 0.00 H new ATOM 548 N GLU A 41 9.258 2.220 3.700 1.00 0.00 N ATOM 549 CA GLU A 41 7.992 2.941 3.772 1.00 0.00 C ATOM 550 C GLU A 41 7.260 2.890 2.434 1.00 0.00 C ATOM 551 O GLU A 41 7.856 2.589 1.399 1.00 0.00 O ATOM 552 CB GLU A 41 8.231 4.396 4.180 1.00 0.00 C ATOM 553 CG GLU A 41 8.623 4.562 5.639 1.00 0.00 C ATOM 554 CD GLU A 41 9.413 5.832 5.889 1.00 0.00 C ATOM 555 OE1 GLU A 41 10.015 6.357 4.929 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.429 6.302 7.047 1.00 0.00 O ATOM 0 H GLU A 41 10.085 2.808 3.802 1.00 0.00 H new ATOM 0 HA GLU A 41 7.370 2.457 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.016 4.817 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.326 4.972 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.723 4.571 6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.215 3.702 5.952 1.00 0.00 H new ATOM 563 N LEU A 42 5.966 3.186 2.464 1.00 0.00 N ATOM 564 CA LEU A 42 5.150 3.174 1.254 1.00 0.00 C ATOM 565 C LEU A 42 4.551 4.551 0.987 1.00 0.00 C ATOM 566 O LEU A 42 3.592 4.973 1.633 1.00 0.00 O ATOM 567 CB LEU A 42 4.035 2.135 1.378 1.00 0.00 C ATOM 568 CG LEU A 42 3.573 1.487 0.072 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.389 0.565 0.322 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.214 2.552 -0.954 1.00 0.00 C ATOM 0 H LEU A 42 5.459 3.437 3.312 1.00 0.00 H new ATOM 0 HA LEU A 42 5.793 2.910 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.373 1.347 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.174 2.610 1.849 1.00 0.00 H new ATOM 0 HG LEU A 42 4.394 0.890 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.075 0.113 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.680 -0.219 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.563 1.139 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.887 2.073 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.409 3.176 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.088 3.171 -1.156 1.00 0.00 H new ATOM 582 N PRO A 43 5.128 5.269 0.012 1.00 0.00 N ATOM 583 CA PRO A 43 4.666 6.608 -0.365 1.00 0.00 C ATOM 584 C PRO A 43 3.307 6.579 -1.055 1.00 0.00 C ATOM 585 O PRO A 43 3.022 5.682 -1.850 1.00 0.00 O ATOM 586 CB PRO A 43 5.747 7.097 -1.332 1.00 0.00 C ATOM 587 CG PRO A 43 6.341 5.854 -1.896 1.00 0.00 C ATOM 588 CD PRO A 43 6.276 4.828 -0.799 1.00 0.00 C ATOM 0 HA PRO A 43 4.530 7.252 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.322 7.724 -2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.498 7.696 -0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.788 5.521 -2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.370 6.022 -2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.126 3.824 -1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.196 4.805 -0.215 1.00 0.00 H new ATOM 596 N PHE A 44 2.471 7.565 -0.748 1.00 0.00 N ATOM 597 CA PHE A 44 1.141 7.652 -1.340 1.00 0.00 C ATOM 598 C PHE A 44 0.604 9.079 -1.263 1.00 0.00 C ATOM 599 O PHE A 44 0.909 9.820 -0.328 1.00 0.00 O ATOM 600 CB PHE A 44 0.181 6.695 -0.631 1.00 0.00 C ATOM 601 CG PHE A 44 0.164 6.859 0.862 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.502 7.923 1.447 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.813 5.948 1.679 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.519 8.077 2.821 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.800 6.096 3.054 1.00 0.00 C ATOM 606 CZ PHE A 44 0.132 7.161 3.625 1.00 0.00 C ATOM 0 H PHE A 44 2.691 8.315 -0.093 1.00 0.00 H new ATOM 0 HA PHE A 44 1.218 7.367 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.826 6.852 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.459 5.669 -0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.014 8.641 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.335 5.112 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.040 8.912 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.311 5.380 3.680 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.118 7.278 4.699 1.00 0.00 H new ATOM 616 N LYS A 45 -0.198 9.457 -2.252 1.00 0.00 N ATOM 617 CA LYS A 45 -0.780 10.793 -2.299 1.00 0.00 C ATOM 618 C LYS A 45 -2.143 10.817 -1.614 1.00 0.00 C ATOM 619 O LYS A 45 -2.784 9.779 -1.451 1.00 0.00 O ATOM 620 CB LYS A 45 -0.918 11.262 -3.749 1.00 0.00 C ATOM 621 CG LYS A 45 0.383 11.762 -4.353 1.00 0.00 C ATOM 622 CD LYS A 45 1.334 10.616 -4.656 1.00 0.00 C ATOM 623 CE LYS A 45 2.350 11.002 -5.720 1.00 0.00 C ATOM 624 NZ LYS A 45 3.555 11.646 -5.128 1.00 0.00 N ATOM 0 H LYS A 45 -0.460 8.856 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.113 11.471 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.297 10.438 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.660 12.059 -3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.172 12.313 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.860 12.460 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.854 10.322 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.765 9.749 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.649 10.113 -6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.887 11.684 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.223 11.894 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.273 12.508 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.011 10.986 -4.466 1.00 0.00 H new ATOM 638 N GLU A 46 -2.579 12.008 -1.216 1.00 0.00 N ATOM 639 CA GLU A 46 -3.866 12.166 -0.549 1.00 0.00 C ATOM 640 C GLU A 46 -4.990 11.560 -1.386 1.00 0.00 C ATOM 641 O GLU A 46 -4.933 11.560 -2.615 1.00 0.00 O ATOM 642 CB GLU A 46 -4.152 13.646 -0.287 1.00 0.00 C ATOM 643 CG GLU A 46 -5.404 13.887 0.540 1.00 0.00 C ATOM 644 CD GLU A 46 -5.758 15.357 0.647 1.00 0.00 C ATOM 645 OE1 GLU A 46 -5.032 16.093 1.348 1.00 0.00 O ATOM 646 OE2 GLU A 46 -6.761 15.772 0.030 1.00 0.00 O ATOM 0 H GLU A 46 -2.060 12.877 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.820 11.638 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.297 14.087 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.252 14.163 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.239 13.348 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.259 13.478 1.540 1.00 0.00 H new ATOM 653 N GLY A 47 -6.010 11.042 -0.709 1.00 0.00 N ATOM 654 CA GLY A 47 -7.132 10.439 -1.405 1.00 0.00 C ATOM 655 C GLY A 47 -6.735 9.200 -2.181 1.00 0.00 C ATOM 656 O GLY A 47 -7.387 8.838 -3.160 1.00 0.00 O ATOM 0 H GLY A 47 -6.080 11.029 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.906 10.179 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.566 11.169 -2.089 1.00 0.00 H new ATOM 660 N GLN A 48 -5.661 8.549 -1.745 1.00 0.00 N ATOM 661 CA GLN A 48 -5.177 7.344 -2.408 1.00 0.00 C ATOM 662 C GLN A 48 -5.621 6.093 -1.658 1.00 0.00 C ATOM 663 O GLN A 48 -5.854 6.133 -0.450 1.00 0.00 O ATOM 664 CB GLN A 48 -3.651 7.374 -2.515 1.00 0.00 C ATOM 665 CG GLN A 48 -3.069 6.177 -3.250 1.00 0.00 C ATOM 666 CD GLN A 48 -1.714 6.470 -3.863 1.00 0.00 C ATOM 667 OE1 GLN A 48 -1.363 7.627 -4.096 1.00 0.00 O ATOM 668 NE2 GLN A 48 -0.944 5.422 -4.127 1.00 0.00 N ATOM 0 H GLN A 48 -5.110 8.836 -0.936 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.605 7.315 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.349 8.287 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.226 7.416 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.977 5.340 -2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.759 5.867 -4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.275 4.480 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.021 5.558 -4.539 1.00 0.00 H new ATOM 677 N ILE A 49 -5.737 4.985 -2.382 1.00 0.00 N ATOM 678 CA ILE A 49 -6.154 3.723 -1.784 1.00 0.00 C ATOM 679 C ILE A 49 -4.952 2.829 -1.494 1.00 0.00 C ATOM 680 O ILE A 49 -4.053 2.692 -2.324 1.00 0.00 O ATOM 681 CB ILE A 49 -7.135 2.964 -2.697 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.241 3.902 -3.185 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.730 1.773 -1.961 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.204 4.318 -2.096 1.00 0.00 C ATOM 0 H ILE A 49 -5.548 4.936 -3.383 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.657 3.968 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.589 2.594 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.786 4.794 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.798 3.410 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.421 1.247 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.931 1.096 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.265 2.121 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.961 4.982 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.687 3.434 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.660 4.839 -1.308 1.00 0.00 H new ATOM 696 N ILE A 50 -4.945 2.223 -0.312 1.00 0.00 N ATOM 697 CA ILE A 50 -3.855 1.340 0.087 1.00 0.00 C ATOM 698 C ILE A 50 -4.390 0.034 0.664 1.00 0.00 C ATOM 699 O ILE A 50 -5.028 0.022 1.717 1.00 0.00 O ATOM 700 CB ILE A 50 -2.939 2.011 1.126 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.327 3.290 0.549 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.847 1.049 1.569 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.594 4.125 1.575 1.00 0.00 C ATOM 0 H ILE A 50 -5.681 2.327 0.386 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.276 1.127 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.537 2.278 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.637 3.024 -0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.118 3.891 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.207 1.538 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.301 0.164 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.249 0.755 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.186 5.015 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.285 4.422 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.781 3.541 2.006 1.00 0.00 H new ATOM 715 N LYS A 51 -4.123 -1.067 -0.031 1.00 0.00 N ATOM 716 CA LYS A 51 -4.573 -2.381 0.413 1.00 0.00 C ATOM 717 C LYS A 51 -3.751 -2.864 1.604 1.00 0.00 C ATOM 718 O LYS A 51 -2.682 -3.450 1.436 1.00 0.00 O ATOM 719 CB LYS A 51 -4.474 -3.391 -0.732 1.00 0.00 C ATOM 720 CG LYS A 51 -5.689 -3.399 -1.642 1.00 0.00 C ATOM 721 CD LYS A 51 -5.675 -4.594 -2.581 1.00 0.00 C ATOM 722 CE LYS A 51 -6.982 -4.715 -3.350 1.00 0.00 C ATOM 723 NZ LYS A 51 -6.881 -5.698 -4.464 1.00 0.00 N ATOM 0 H LYS A 51 -3.597 -1.075 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.614 -2.295 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.587 -3.169 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.336 -4.388 -0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.596 -3.420 -1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.715 -2.478 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.847 -4.497 -3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.503 -5.506 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.777 -5.018 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.260 -3.740 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.792 -5.752 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.139 -5.396 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.641 -6.634 -4.080 1.00 0.00 H new ATOM 737 N VAL A 52 -4.258 -2.615 2.807 1.00 0.00 N ATOM 738 CA VAL A 52 -3.571 -3.027 4.026 1.00 0.00 C ATOM 739 C VAL A 52 -3.728 -4.524 4.265 1.00 0.00 C ATOM 740 O VAL A 52 -4.636 -5.158 3.727 1.00 0.00 O ATOM 741 CB VAL A 52 -4.102 -2.264 5.254 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.395 -2.729 6.518 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.935 -0.764 5.062 1.00 0.00 C ATOM 0 H VAL A 52 -5.142 -2.130 2.964 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.515 -2.792 3.890 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.165 -2.478 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.783 -2.179 7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.570 -3.795 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.324 -2.546 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.315 -0.240 5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.879 -0.530 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.491 -0.446 4.180 1.00 0.00 H new ATOM 753 N TYR A 53 -2.838 -5.084 5.077 1.00 0.00 N ATOM 754 CA TYR A 53 -2.876 -6.509 5.386 1.00 0.00 C ATOM 755 C TYR A 53 -2.370 -6.772 6.802 1.00 0.00 C ATOM 756 O TYR A 53 -1.244 -6.417 7.147 1.00 0.00 O ATOM 757 CB TYR A 53 -2.035 -7.294 4.378 1.00 0.00 C ATOM 758 CG TYR A 53 -2.525 -7.169 2.953 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.699 -7.789 2.545 1.00 0.00 C ATOM 760 CD2 TYR A 53 -1.814 -6.430 2.016 1.00 0.00 C ATOM 761 CE1 TYR A 53 -4.151 -7.679 1.244 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.259 -6.313 0.713 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.427 -6.940 0.332 1.00 0.00 C ATOM 764 OH TYR A 53 -3.874 -6.826 -0.965 1.00 0.00 O ATOM 0 H TYR A 53 -2.082 -4.573 5.533 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.912 -6.842 5.321 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.003 -6.947 4.430 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.032 -8.347 4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.269 -8.367 3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.898 -5.939 2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.065 -8.169 0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.695 -5.734 -0.003 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.250 -6.271 -1.478 1.00 0.00 H new ATOM 774 N GLY A 54 -3.213 -7.399 7.617 1.00 0.00 N ATOM 775 CA GLY A 54 -2.835 -7.701 8.985 1.00 0.00 C ATOM 776 C GLY A 54 -2.732 -6.457 9.846 1.00 0.00 C ATOM 777 O GLY A 54 -2.830 -5.337 9.344 1.00 0.00 O ATOM 0 H GLY A 54 -4.151 -7.703 7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.568 -8.380 9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.877 -8.221 8.988 1.00 0.00 H new ATOM 781 N ASP A 55 -2.534 -6.653 11.145 1.00 0.00 N ATOM 782 CA ASP A 55 -2.418 -5.538 12.077 1.00 0.00 C ATOM 783 C ASP A 55 -1.245 -4.637 11.703 1.00 0.00 C ATOM 784 O ASP A 55 -0.534 -4.896 10.732 1.00 0.00 O ATOM 785 CB ASP A 55 -2.243 -6.056 13.506 1.00 0.00 C ATOM 786 CG ASP A 55 -1.045 -6.975 13.646 1.00 0.00 C ATOM 787 OD1 ASP A 55 -1.195 -8.188 13.390 1.00 0.00 O ATOM 788 OD2 ASP A 55 0.042 -6.481 14.012 1.00 0.00 O ATOM 0 H ASP A 55 -2.451 -7.574 11.576 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.336 -4.952 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.130 -5.211 14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.144 -6.590 13.809 1.00 0.00 H new ATOM 793 N LYS A 56 -1.050 -3.576 12.479 1.00 0.00 N ATOM 794 CA LYS A 56 0.035 -2.634 12.230 1.00 0.00 C ATOM 795 C LYS A 56 1.311 -3.077 12.939 1.00 0.00 C ATOM 796 O LYS A 56 1.283 -3.963 13.793 1.00 0.00 O ATOM 797 CB LYS A 56 -0.361 -1.232 12.698 1.00 0.00 C ATOM 798 CG LYS A 56 -0.655 -1.147 14.185 1.00 0.00 C ATOM 799 CD LYS A 56 -1.506 0.066 14.517 1.00 0.00 C ATOM 800 CE LYS A 56 -2.216 -0.099 15.853 1.00 0.00 C ATOM 801 NZ LYS A 56 -1.276 0.035 17.000 1.00 0.00 N ATOM 0 H LYS A 56 -1.630 -3.347 13.286 1.00 0.00 H new ATOM 0 HA LYS A 56 0.225 -2.611 11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.442 -0.537 12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.242 -0.908 12.143 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.169 -2.052 14.507 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.282 -1.098 14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.877 0.956 14.545 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.243 0.221 13.729 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.004 0.649 15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.698 -1.076 15.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.798 -0.084 17.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.538 -0.694 16.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.835 0.977 16.979 1.00 0.00 H new ATOM 815 N ASP A 57 2.428 -2.452 12.580 1.00 0.00 N ATOM 816 CA ASP A 57 3.714 -2.780 13.184 1.00 0.00 C ATOM 817 C ASP A 57 3.896 -2.045 14.509 1.00 0.00 C ATOM 818 O ASP A 57 3.005 -1.325 14.957 1.00 0.00 O ATOM 819 CB ASP A 57 4.855 -2.425 12.229 1.00 0.00 C ATOM 820 CG ASP A 57 6.067 -3.316 12.419 1.00 0.00 C ATOM 821 OD1 ASP A 57 5.978 -4.517 12.090 1.00 0.00 O ATOM 822 OD2 ASP A 57 7.105 -2.812 12.899 1.00 0.00 O ATOM 0 H ASP A 57 2.468 -1.716 11.875 1.00 0.00 H new ATOM 0 HA ASP A 57 3.733 -3.852 13.379 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.504 -2.509 11.201 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.144 -1.385 12.383 1.00 0.00 H new ATOM 827 N ALA A 58 5.056 -2.233 15.130 1.00 0.00 N ATOM 828 CA ALA A 58 5.354 -1.587 16.402 1.00 0.00 C ATOM 829 C ALA A 58 5.216 -0.072 16.294 1.00 0.00 C ATOM 830 O ALA A 58 4.745 0.585 17.222 1.00 0.00 O ATOM 831 CB ALA A 58 6.754 -1.960 16.867 1.00 0.00 C ATOM 0 H ALA A 58 5.804 -2.827 14.773 1.00 0.00 H new ATOM 0 HA ALA A 58 4.632 -1.939 17.139 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.964 -1.471 17.818 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.820 -3.041 16.992 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.483 -1.636 16.124 1.00 0.00 H new ATOM 837 N ASP A 59 5.631 0.476 15.158 1.00 0.00 N ATOM 838 CA ASP A 59 5.553 1.914 14.929 1.00 0.00 C ATOM 839 C ASP A 59 4.208 2.295 14.320 1.00 0.00 C ATOM 840 O ASP A 59 4.092 3.305 13.628 1.00 0.00 O ATOM 841 CB ASP A 59 6.689 2.368 14.011 1.00 0.00 C ATOM 842 CG ASP A 59 7.937 2.752 14.782 1.00 0.00 C ATOM 843 OD1 ASP A 59 8.178 2.160 15.854 1.00 0.00 O ATOM 844 OD2 ASP A 59 8.673 3.647 14.313 1.00 0.00 O ATOM 0 H ASP A 59 6.025 -0.054 14.381 1.00 0.00 H new ATOM 0 HA ASP A 59 5.651 2.416 15.892 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.929 1.567 13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.355 3.220 13.418 1.00 0.00 H new ATOM 849 N GLY A 60 3.192 1.478 14.582 1.00 0.00 N ATOM 850 CA GLY A 60 1.868 1.746 14.051 1.00 0.00 C ATOM 851 C GLY A 60 1.864 1.876 12.541 1.00 0.00 C ATOM 852 O GLY A 60 1.303 2.826 11.994 1.00 0.00 O ATOM 0 H GLY A 60 3.262 0.635 15.152 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.193 0.943 14.345 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.482 2.665 14.493 1.00 0.00 H new ATOM 856 N PHE A 61 2.494 0.921 11.865 1.00 0.00 N ATOM 857 CA PHE A 61 2.563 0.935 10.408 1.00 0.00 C ATOM 858 C PHE A 61 1.702 -0.175 9.812 1.00 0.00 C ATOM 859 O PHE A 61 1.774 -1.328 10.238 1.00 0.00 O ATOM 860 CB PHE A 61 4.012 0.777 9.944 1.00 0.00 C ATOM 861 CG PHE A 61 4.755 2.079 9.845 1.00 0.00 C ATOM 862 CD1 PHE A 61 4.462 2.984 8.838 1.00 0.00 C ATOM 863 CD2 PHE A 61 5.747 2.397 10.758 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.144 4.182 8.744 1.00 0.00 C ATOM 865 CE2 PHE A 61 6.433 3.594 10.669 1.00 0.00 C ATOM 866 CZ PHE A 61 6.130 4.488 9.661 1.00 0.00 C ATOM 0 H PHE A 61 2.964 0.128 12.302 1.00 0.00 H new ATOM 0 HA PHE A 61 2.180 1.894 10.060 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.537 0.120 10.637 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.022 0.287 8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.692 2.750 8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.987 1.702 11.549 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.906 4.879 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.205 3.830 11.387 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.663 5.425 9.590 1.00 0.00 H new ATOM 876 N TYR A 62 0.889 0.181 8.824 1.00 0.00 N ATOM 877 CA TYR A 62 0.012 -0.783 8.171 1.00 0.00 C ATOM 878 C TYR A 62 0.587 -1.219 6.826 1.00 0.00 C ATOM 879 O TYR A 62 0.384 -0.557 5.808 1.00 0.00 O ATOM 880 CB TYR A 62 -1.381 -0.183 7.972 1.00 0.00 C ATOM 881 CG TYR A 62 -2.261 -0.275 9.198 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.472 -1.491 9.837 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.881 0.854 9.719 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.275 -1.580 10.957 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.685 0.775 10.839 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.879 -0.444 11.454 1.00 0.00 C ATOM 887 OH TYR A 62 -4.679 -0.528 12.571 1.00 0.00 O ATOM 0 H TYR A 62 0.819 1.130 8.458 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.065 -1.660 8.814 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.279 0.864 7.686 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.872 -0.693 7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.000 -2.382 9.451 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.732 1.810 9.240 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.429 -2.533 11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.159 1.663 11.231 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.027 0.361 12.792 1.00 0.00 H new ATOM 897 N ARG A 63 1.304 -2.337 6.832 1.00 0.00 N ATOM 898 CA ARG A 63 1.910 -2.863 5.615 1.00 0.00 C ATOM 899 C ARG A 63 0.853 -3.097 4.539 1.00 0.00 C ATOM 900 O ARG A 63 0.229 -4.156 4.487 1.00 0.00 O ATOM 901 CB ARG A 63 2.650 -4.169 5.910 1.00 0.00 C ATOM 902 CG ARG A 63 3.775 -4.466 4.933 1.00 0.00 C ATOM 903 CD ARG A 63 4.410 -5.820 5.209 1.00 0.00 C ATOM 904 NE ARG A 63 5.447 -5.739 6.235 1.00 0.00 N ATOM 905 CZ ARG A 63 6.592 -5.086 6.073 1.00 0.00 C ATOM 906 NH1 ARG A 63 6.847 -4.461 4.931 1.00 0.00 N ATOM 907 NH2 ARG A 63 7.486 -5.058 7.053 1.00 0.00 N ATOM 0 H ARG A 63 1.480 -2.897 7.666 1.00 0.00 H new ATOM 0 HA ARG A 63 2.623 -2.125 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.059 -4.125 6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.937 -4.993 5.891 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.388 -4.445 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.534 -3.686 5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.640 -6.524 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.841 -6.213 4.288 1.00 0.00 H new ATOM 0 HE ARG A 63 5.282 -6.210 7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.163 -4.481 4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.727 -3.960 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.294 -5.538 7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.365 -4.556 6.927 1.00 0.00 H new ATOM 921 N GLY A 64 0.657 -2.099 3.682 1.00 0.00 N ATOM 922 CA GLY A 64 -0.325 -2.215 2.620 1.00 0.00 C ATOM 923 C GLY A 64 0.311 -2.259 1.245 1.00 0.00 C ATOM 924 O GLY A 64 1.528 -2.141 1.113 1.00 0.00 O ATOM 0 H GLY A 64 1.161 -1.212 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.916 -3.118 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.013 -1.371 2.672 1.00 0.00 H new ATOM 928 N GLU A 65 -0.516 -2.432 0.218 1.00 0.00 N ATOM 929 CA GLU A 65 -0.026 -2.494 -1.154 1.00 0.00 C ATOM 930 C GLU A 65 -0.815 -1.551 -2.057 1.00 0.00 C ATOM 931 O GLU A 65 -2.025 -1.702 -2.227 1.00 0.00 O ATOM 932 CB GLU A 65 -0.118 -3.925 -1.688 1.00 0.00 C ATOM 933 CG GLU A 65 0.279 -4.057 -3.149 1.00 0.00 C ATOM 934 CD GLU A 65 0.194 -5.485 -3.650 1.00 0.00 C ATOM 935 OE1 GLU A 65 0.725 -6.387 -2.968 1.00 0.00 O ATOM 936 OE2 GLU A 65 -0.405 -5.702 -4.724 1.00 0.00 O ATOM 0 H GLU A 65 -1.527 -2.532 0.310 1.00 0.00 H new ATOM 0 HA GLU A 65 1.018 -2.180 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.523 -4.570 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.139 -4.285 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.368 -3.424 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.297 -3.690 -3.279 1.00 0.00 H new ATOM 943 N THR A 66 -0.120 -0.575 -2.634 1.00 0.00 N ATOM 944 CA THR A 66 -0.754 0.395 -3.518 1.00 0.00 C ATOM 945 C THR A 66 0.063 0.597 -4.789 1.00 0.00 C ATOM 946 O THR A 66 1.294 0.585 -4.755 1.00 0.00 O ATOM 947 CB THR A 66 -0.940 1.755 -2.819 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.427 2.724 -3.754 1.00 0.00 O ATOM 949 CG2 THR A 66 0.371 2.238 -2.218 1.00 0.00 C ATOM 0 H THR A 66 0.882 -0.436 -2.505 1.00 0.00 H new ATOM 0 HA THR A 66 -1.733 -0.008 -3.779 1.00 0.00 H new ATOM 0 HB THR A 66 -1.666 1.629 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.362 2.936 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.215 3.200 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.725 1.512 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.114 2.348 -3.007 1.00 0.00 H new ATOM 957 N CYS A 67 -0.629 0.783 -5.908 1.00 0.00 N ATOM 958 CA CYS A 67 0.033 0.988 -7.191 1.00 0.00 C ATOM 959 C CYS A 67 1.089 -0.085 -7.435 1.00 0.00 C ATOM 960 O CYS A 67 2.220 0.218 -7.814 1.00 0.00 O ATOM 961 CB CYS A 67 0.677 2.375 -7.240 1.00 0.00 C ATOM 962 SG CYS A 67 1.259 2.860 -8.882 1.00 0.00 S ATOM 0 H CYS A 67 -1.648 0.796 -5.952 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.720 0.917 -7.976 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.046 3.112 -6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.518 2.398 -6.547 1.00 0.00 H new ATOM 0 HG CYS A 67 2.025 1.927 -9.364 1.00 0.00 H new ATOM 968 N ALA A 68 0.712 -1.340 -7.214 1.00 0.00 N ATOM 969 CA ALA A 68 1.625 -2.458 -7.411 1.00 0.00 C ATOM 970 C ALA A 68 2.893 -2.284 -6.581 1.00 0.00 C ATOM 971 O ALA A 68 3.946 -2.825 -6.918 1.00 0.00 O ATOM 972 CB ALA A 68 1.973 -2.603 -8.885 1.00 0.00 C ATOM 0 H ALA A 68 -0.220 -1.608 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 68 1.124 -3.367 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.656 -3.442 -9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.063 -2.782 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.450 -1.689 -9.238 1.00 0.00 H new ATOM 978 N ARG A 69 2.784 -1.526 -5.495 1.00 0.00 N ATOM 979 CA ARG A 69 3.922 -1.279 -4.618 1.00 0.00 C ATOM 980 C ARG A 69 3.664 -1.837 -3.222 1.00 0.00 C ATOM 981 O ARG A 69 2.516 -1.949 -2.789 1.00 0.00 O ATOM 982 CB ARG A 69 4.213 0.221 -4.534 1.00 0.00 C ATOM 983 CG ARG A 69 5.679 0.545 -4.301 1.00 0.00 C ATOM 984 CD ARG A 69 5.997 0.651 -2.817 1.00 0.00 C ATOM 985 NE ARG A 69 7.399 0.355 -2.535 1.00 0.00 N ATOM 986 CZ ARG A 69 8.404 1.144 -2.897 1.00 0.00 C ATOM 987 NH1 ARG A 69 8.163 2.272 -3.552 1.00 0.00 N ATOM 988 NH2 ARG A 69 9.653 0.806 -2.604 1.00 0.00 N ATOM 0 H ARG A 69 1.919 -1.072 -5.201 1.00 0.00 H new ATOM 0 HA ARG A 69 4.790 -1.787 -5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.887 0.698 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.622 0.653 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.300 -0.228 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.928 1.484 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.761 1.656 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.362 -0.038 -2.260 1.00 0.00 H new ATOM 0 HE ARG A 69 7.618 -0.505 -2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.204 2.535 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.937 2.876 -3.829 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.842 -0.061 -2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.424 1.413 -2.883 1.00 0.00 H new ATOM 1002 N LEU A 70 4.737 -2.185 -2.521 1.00 0.00 N ATOM 1003 CA LEU A 70 4.628 -2.732 -1.173 1.00 0.00 C ATOM 1004 C LEU A 70 5.503 -1.954 -0.197 1.00 0.00 C ATOM 1005 O LEU A 70 6.678 -1.705 -0.463 1.00 0.00 O ATOM 1006 CB LEU A 70 5.025 -4.209 -1.167 1.00 0.00 C ATOM 1007 CG LEU A 70 4.320 -5.090 -0.135 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.841 -4.747 -0.062 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.512 -6.562 -0.470 1.00 0.00 C ATOM 0 H LEU A 70 5.694 -2.098 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 70 3.590 -2.640 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.833 -4.620 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.100 -4.275 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 70 4.765 -4.899 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.356 -5.384 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.724 -3.702 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.382 -4.908 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.004 -7.174 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.094 -6.768 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.576 -6.799 -0.470 1.00 0.00 H new ATOM 1021 N GLY A 71 4.922 -1.573 0.937 1.00 0.00 N ATOM 1022 CA GLY A 71 5.665 -0.828 1.937 1.00 0.00 C ATOM 1023 C GLY A 71 4.884 -0.648 3.224 1.00 0.00 C ATOM 1024 O GLY A 71 3.952 -1.403 3.504 1.00 0.00 O ATOM 0 H GLY A 71 3.951 -1.767 1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.599 -1.346 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.928 0.151 1.535 1.00 0.00 H new ATOM 1028 N LEU A 72 5.265 0.353 4.010 1.00 0.00 N ATOM 1029 CA LEU A 72 4.595 0.629 5.276 1.00 0.00 C ATOM 1030 C LEU A 72 3.811 1.936 5.203 1.00 0.00 C ATOM 1031 O LEU A 72 4.174 2.849 4.461 1.00 0.00 O ATOM 1032 CB LEU A 72 5.616 0.697 6.412 1.00 0.00 C ATOM 1033 CG LEU A 72 6.433 -0.572 6.656 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.492 -0.329 7.721 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.523 -1.723 7.060 1.00 0.00 C ATOM 0 H LEU A 72 6.034 0.987 3.793 1.00 0.00 H new ATOM 0 HA LEU A 72 3.895 -0.183 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.306 1.515 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.089 0.949 7.333 1.00 0.00 H new ATOM 0 HG LEU A 72 6.936 -0.841 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.063 -1.243 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.163 0.465 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.010 -0.035 8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.122 -2.618 7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.992 -1.463 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.803 -1.914 6.265 1.00 0.00 H new ATOM 1047 N ILE A 73 2.735 2.018 5.979 1.00 0.00 N ATOM 1048 CA ILE A 73 1.902 3.214 6.004 1.00 0.00 C ATOM 1049 C ILE A 73 1.622 3.659 7.436 1.00 0.00 C ATOM 1050 O ILE A 73 1.211 2.870 8.288 1.00 0.00 O ATOM 1051 CB ILE A 73 0.563 2.983 5.279 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.806 2.678 3.800 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.339 4.199 5.434 1.00 0.00 C ATOM 1054 CD1 ILE A 73 1.235 1.251 3.540 1.00 0.00 C ATOM 0 H ILE A 73 2.420 1.271 6.598 1.00 0.00 H new ATOM 0 HA ILE A 73 2.457 3.996 5.485 1.00 0.00 H new ATOM 0 HB ILE A 73 0.064 2.125 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.107 2.882 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.571 3.354 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.282 4.021 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.534 4.375 6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.151 5.073 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.389 1.107 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.165 1.048 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.460 0.569 3.890 1.00 0.00 H new ATOM 1066 N PRO A 74 1.848 4.952 7.709 1.00 0.00 N ATOM 1067 CA PRO A 74 1.625 5.532 9.037 1.00 0.00 C ATOM 1068 C PRO A 74 0.144 5.614 9.391 1.00 0.00 C ATOM 1069 O PRO A 74 -0.571 6.494 8.911 1.00 0.00 O ATOM 1070 CB PRO A 74 2.224 6.935 8.917 1.00 0.00 C ATOM 1071 CG PRO A 74 2.152 7.255 7.463 1.00 0.00 C ATOM 1072 CD PRO A 74 2.338 5.949 6.742 1.00 0.00 C ATOM 0 HA PRO A 74 2.074 4.929 9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.662 7.657 9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.253 6.958 9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.193 7.707 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.926 7.970 7.182 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.770 5.919 5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.383 5.778 6.483 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.310 4.694 10.235 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.706 4.662 10.654 1.00 0.00 C ATOM 1082 C CYS A 75 -2.182 6.052 11.065 1.00 0.00 C ATOM 1083 O CYS A 75 -3.348 6.399 10.881 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.890 3.683 11.814 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.475 3.842 12.669 1.00 0.00 S ATOM 0 H CYS A 75 0.269 3.960 10.643 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.306 4.328 9.808 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.794 2.665 11.435 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.085 3.833 12.533 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.155 4.818 12.144 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.271 6.842 11.624 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.599 8.194 12.064 1.00 0.00 C ATOM 1093 C ASN A 76 -2.114 9.034 10.900 1.00 0.00 C ATOM 1094 O ASN A 76 -3.069 9.797 11.047 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.370 8.862 12.685 1.00 0.00 C ATOM 1096 CG ASN A 76 -0.741 9.979 13.640 1.00 0.00 C ATOM 1097 OD1 ASN A 76 -1.324 10.987 13.239 1.00 0.00 O ATOM 1098 ND2 ASN A 76 -0.404 9.806 14.913 1.00 0.00 N ATOM 0 H ASN A 76 -0.301 6.570 11.783 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.386 8.125 12.815 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.218 8.113 13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.263 9.261 11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.628 10.524 15.602 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.078 8.955 15.202 1.00 0.00 H new ATOM 1105 N MET A 77 -1.477 8.888 9.743 1.00 0.00 N ATOM 1106 CA MET A 77 -1.872 9.633 8.553 1.00 0.00 C ATOM 1107 C MET A 77 -3.110 9.014 7.912 1.00 0.00 C ATOM 1108 O MET A 77 -4.187 9.612 7.913 1.00 0.00 O ATOM 1109 CB MET A 77 -0.724 9.669 7.543 1.00 0.00 C ATOM 1110 CG MET A 77 0.594 10.137 8.138 1.00 0.00 C ATOM 1111 SD MET A 77 0.792 11.927 8.066 1.00 0.00 S ATOM 1112 CE MET A 77 1.071 12.167 6.313 1.00 0.00 C ATOM 0 H MET A 77 -0.685 8.261 9.604 1.00 0.00 H new ATOM 0 HA MET A 77 -2.112 10.653 8.855 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.590 8.673 7.122 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.996 10.329 6.719 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.656 9.810 9.176 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.418 9.663 7.605 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.520 13.146 6.147 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.742 11.392 5.942 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.121 12.109 5.782 1.00 0.00 H new ATOM 1122 N VAL A 78 -2.951 7.814 7.364 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.056 7.114 6.720 1.00 0.00 C ATOM 1124 C VAL A 78 -5.234 6.951 7.674 1.00 0.00 C ATOM 1125 O VAL A 78 -5.152 7.319 8.846 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.623 5.726 6.214 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -2.661 5.860 5.044 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -2.994 4.920 7.342 1.00 0.00 C ATOM 0 H VAL A 78 -2.067 7.306 7.353 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.363 7.722 5.869 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.508 5.193 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.366 4.869 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.150 6.396 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.776 6.412 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.694 3.942 6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.119 5.447 7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.718 4.793 8.146 1.00 0.00 H new ATOM 1138 N SER A 79 -6.329 6.395 7.165 1.00 0.00 N ATOM 1139 CA SER A 79 -7.525 6.185 7.971 1.00 0.00 C ATOM 1140 C SER A 79 -8.275 4.936 7.516 1.00 0.00 C ATOM 1141 O SER A 79 -8.071 4.448 6.405 1.00 0.00 O ATOM 1142 CB SER A 79 -8.445 7.405 7.885 1.00 0.00 C ATOM 1143 OG SER A 79 -9.375 7.419 8.953 1.00 0.00 O ATOM 0 H SER A 79 -6.412 6.082 6.198 1.00 0.00 H new ATOM 0 HA SER A 79 -7.215 6.045 9.006 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.848 8.317 7.907 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.978 7.396 6.934 1.00 0.00 H new ATOM 0 HG SER A 79 -9.950 8.209 8.876 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.143 4.425 8.384 1.00 0.00 N ATOM 1150 CA GLU A 80 -9.922 3.233 8.072 1.00 0.00 C ATOM 1151 C GLU A 80 -11.230 3.604 7.379 1.00 0.00 C ATOM 1152 O GLU A 80 -11.926 4.530 7.798 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.214 2.440 9.347 1.00 0.00 C ATOM 1154 CG GLU A 80 -10.989 1.156 9.101 1.00 0.00 C ATOM 1155 CD GLU A 80 -10.892 0.184 10.261 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -9.758 -0.197 10.621 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -11.948 -0.195 10.808 1.00 0.00 O ATOM 0 H GLU A 80 -9.324 4.818 9.308 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.335 2.613 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.271 2.197 9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.779 3.069 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.037 1.397 8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.612 0.676 8.198 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.558 2.876 6.317 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.782 3.128 5.567 1.00 0.00 C ATOM 1166 C ILE A 81 -13.892 2.172 5.990 1.00 0.00 C ATOM 1167 O ILE A 81 -13.641 1.000 6.271 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.551 2.990 4.050 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.326 3.801 3.623 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -13.785 3.441 3.284 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.029 3.712 2.143 1.00 0.00 C ATOM 0 H ILE A 81 -10.993 2.107 5.957 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.083 4.152 5.789 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.367 1.941 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.480 4.846 3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.457 3.453 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.607 3.338 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.637 2.825 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.997 4.484 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.148 4.311 1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.843 2.673 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.882 4.088 1.578 1.00 0.00 H new ATOM 1183 N GLN A 82 -15.119 2.680 6.031 1.00 0.00 N ATOM 1184 CA GLN A 82 -16.269 1.870 6.418 1.00 0.00 C ATOM 1185 C GLN A 82 -16.329 0.584 5.600 1.00 0.00 C ATOM 1186 O GLN A 82 -15.528 0.379 4.688 1.00 0.00 O ATOM 1187 CB GLN A 82 -17.563 2.665 6.237 1.00 0.00 C ATOM 1188 CG GLN A 82 -17.818 3.673 7.345 1.00 0.00 C ATOM 1189 CD GLN A 82 -18.854 4.712 6.963 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -19.719 4.463 6.123 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -18.771 5.886 7.578 1.00 0.00 N ATOM 0 H GLN A 82 -15.343 3.648 5.801 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.158 1.605 7.469 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -17.527 3.189 5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -18.402 1.971 6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -18.150 3.147 8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -16.883 4.174 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.038 6.050 8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -19.440 6.624 7.360 1.00 0.00 H new ATOM 1200 N ALA A 83 -17.283 -0.279 5.933 1.00 0.00 N ATOM 1201 CA ALA A 83 -17.449 -1.544 5.229 1.00 0.00 C ATOM 1202 C ALA A 83 -17.745 -1.315 3.751 1.00 0.00 C ATOM 1203 O ALA A 83 -18.588 -0.491 3.397 1.00 0.00 O ATOM 1204 CB ALA A 83 -18.558 -2.364 5.870 1.00 0.00 C ATOM 0 H ALA A 83 -17.953 -0.125 6.686 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.513 -2.098 5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.671 -3.306 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.305 -2.567 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.494 -1.807 5.826 1.00 0.00 H new ATOM 1210 N ASP A 84 -17.045 -2.048 2.891 1.00 0.00 N ATOM 1211 CA ASP A 84 -17.234 -1.924 1.451 1.00 0.00 C ATOM 1212 C ASP A 84 -17.634 -3.263 0.838 1.00 0.00 C ATOM 1213 O ASP A 84 -18.566 -3.336 0.037 1.00 0.00 O ATOM 1214 CB ASP A 84 -15.954 -1.409 0.790 1.00 0.00 C ATOM 1215 CG ASP A 84 -14.748 -2.270 1.114 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -14.482 -2.490 2.314 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -14.071 -2.723 0.167 1.00 0.00 O ATOM 0 H ASP A 84 -16.342 -2.734 3.167 1.00 0.00 H new ATOM 0 HA ASP A 84 -18.038 -1.209 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.094 -1.377 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.765 -0.387 1.118 1.00 0.00 H new ATOM 1222 N ASP A 85 -16.924 -4.318 1.220 1.00 0.00 N ATOM 1223 CA ASP A 85 -17.205 -5.655 0.709 1.00 0.00 C ATOM 1224 C ASP A 85 -18.706 -5.927 0.695 1.00 0.00 C ATOM 1225 O ASP A 85 -19.392 -5.726 1.698 1.00 0.00 O ATOM 1226 CB ASP A 85 -16.491 -6.709 1.557 1.00 0.00 C ATOM 1227 CG ASP A 85 -15.104 -6.268 1.980 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -14.429 -5.586 1.182 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -14.693 -6.607 3.110 1.00 0.00 O ATOM 0 H ASP A 85 -16.149 -4.274 1.882 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.834 -5.711 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.088 -6.923 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.417 -7.638 0.991 1.00 0.00 H new ATOM 1234 N GLU A 86 -19.210 -6.382 -0.447 1.00 0.00 N ATOM 1235 CA GLU A 86 -20.630 -6.679 -0.591 1.00 0.00 C ATOM 1236 C GLU A 86 -20.956 -8.062 -0.034 1.00 0.00 C ATOM 1237 O GLU A 86 -20.065 -8.796 0.393 1.00 0.00 O ATOM 1238 CB GLU A 86 -21.044 -6.599 -2.062 1.00 0.00 C ATOM 1239 CG GLU A 86 -21.156 -5.178 -2.586 1.00 0.00 C ATOM 1240 CD GLU A 86 -20.911 -5.086 -4.080 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -19.831 -5.519 -4.532 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -21.801 -4.582 -4.797 1.00 0.00 O ATOM 0 H GLU A 86 -18.656 -6.553 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 86 -21.190 -5.936 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -20.318 -7.144 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -22.003 -7.101 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -22.149 -4.788 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -20.438 -4.545 -2.064 1.00 0.00 H new ATOM 1249 N GLU A 87 -22.239 -8.410 -0.042 1.00 0.00 N ATOM 1250 CA GLU A 87 -22.683 -9.703 0.464 1.00 0.00 C ATOM 1251 C GLU A 87 -22.527 -9.777 1.981 1.00 0.00 C ATOM 1252 O GLU A 87 -22.098 -10.795 2.522 1.00 0.00 O ATOM 1253 CB GLU A 87 -21.889 -10.833 -0.196 1.00 0.00 C ATOM 1254 CG GLU A 87 -22.667 -12.133 -0.316 1.00 0.00 C ATOM 1255 CD GLU A 87 -22.603 -12.970 0.947 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -21.537 -12.983 1.597 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -23.619 -13.612 1.284 1.00 0.00 O ATOM 0 H GLU A 87 -22.989 -7.814 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 87 -23.739 -9.817 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -21.576 -10.513 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.982 -11.014 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -23.709 -11.909 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -22.273 -12.712 -1.151 1.00 0.00 H new ATOM 1264 N MET A 88 -22.880 -8.690 2.659 1.00 0.00 N ATOM 1265 CA MET A 88 -22.780 -8.631 4.112 1.00 0.00 C ATOM 1266 C MET A 88 -24.005 -9.263 4.767 1.00 0.00 C ATOM 1267 O MET A 88 -24.994 -9.559 4.098 1.00 0.00 O ATOM 1268 CB MET A 88 -22.631 -7.180 4.577 1.00 0.00 C ATOM 1269 CG MET A 88 -21.189 -6.700 4.615 1.00 0.00 C ATOM 1270 SD MET A 88 -20.388 -7.034 6.195 1.00 0.00 S ATOM 1271 CE MET A 88 -21.196 -5.830 7.246 1.00 0.00 C ATOM 0 H MET A 88 -23.238 -7.839 2.226 1.00 0.00 H new ATOM 0 HA MET A 88 -21.897 -9.194 4.413 1.00 0.00 H new ATOM 0 HB2 MET A 88 -23.203 -6.533 3.912 1.00 0.00 H new ATOM 0 HB3 MET A 88 -23.065 -7.079 5.572 1.00 0.00 H new ATOM 0 HG2 MET A 88 -20.627 -7.186 3.817 1.00 0.00 H new ATOM 0 HG3 MET A 88 -21.161 -5.628 4.417 1.00 0.00 H new ATOM 0 HE1 MET A 88 -20.589 -5.658 8.135 1.00 0.00 H new ATOM 0 HE2 MET A 88 -21.315 -4.893 6.701 1.00 0.00 H new ATOM 0 HE3 MET A 88 -22.176 -6.205 7.542 1.00 0.00 H new ATOM 1281 N MET A 89 -23.930 -9.466 6.078 1.00 0.00 N ATOM 1282 CA MET A 89 -25.034 -10.062 6.823 1.00 0.00 C ATOM 1283 C MET A 89 -26.376 -9.553 6.306 1.00 0.00 C ATOM 1284 O MET A 89 -26.737 -8.397 6.526 1.00 0.00 O ATOM 1285 CB MET A 89 -24.897 -9.752 8.315 1.00 0.00 C ATOM 1286 CG MET A 89 -25.734 -10.659 9.203 1.00 0.00 C ATOM 1287 SD MET A 89 -25.003 -12.294 9.411 1.00 0.00 S ATOM 1288 CE MET A 89 -25.958 -13.244 8.230 1.00 0.00 C ATOM 0 H MET A 89 -23.117 -9.227 6.646 1.00 0.00 H new ATOM 0 HA MET A 89 -24.996 -11.142 6.679 1.00 0.00 H new ATOM 0 HB2 MET A 89 -23.849 -9.842 8.602 1.00 0.00 H new ATOM 0 HB3 MET A 89 -25.187 -8.716 8.491 1.00 0.00 H new ATOM 0 HG2 MET A 89 -25.855 -10.192 10.181 1.00 0.00 H new ATOM 0 HG3 MET A 89 -26.730 -10.763 8.773 1.00 0.00 H new ATOM 0 HE1 MET A 89 -26.644 -13.902 8.763 1.00 0.00 H new ATOM 0 HE2 MET A 89 -26.526 -12.567 7.593 1.00 0.00 H new ATOM 0 HE3 MET A 89 -25.285 -13.842 7.615 1.00 0.00 H new ATOM 1298 N ASP A 90 -27.109 -10.422 5.620 1.00 0.00 N ATOM 1299 CA ASP A 90 -28.412 -10.060 5.074 1.00 0.00 C ATOM 1300 C ASP A 90 -29.234 -11.306 4.759 1.00 0.00 C ATOM 1301 O ASP A 90 -28.709 -12.419 4.740 1.00 0.00 O ATOM 1302 CB ASP A 90 -28.241 -9.214 3.811 1.00 0.00 C ATOM 1303 CG ASP A 90 -27.811 -7.793 4.120 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -28.689 -6.960 4.426 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -26.595 -7.515 4.057 1.00 0.00 O ATOM 0 H ASP A 90 -26.823 -11.382 5.428 1.00 0.00 H new ATOM 0 HA ASP A 90 -28.944 -9.476 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -27.501 -9.681 3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -29.181 -9.194 3.260 1.00 0.00 H new ATOM 1310 N GLN A 91 -30.525 -11.110 4.513 1.00 0.00 N ATOM 1311 CA GLN A 91 -31.420 -12.218 4.201 1.00 0.00 C ATOM 1312 C GLN A 91 -30.843 -13.086 3.088 1.00 0.00 C ATOM 1313 O GLN A 91 -30.428 -12.581 2.045 1.00 0.00 O ATOM 1314 CB GLN A 91 -32.796 -11.690 3.791 1.00 0.00 C ATOM 1315 CG GLN A 91 -32.735 -10.471 2.886 1.00 0.00 C ATOM 1316 CD GLN A 91 -34.021 -10.252 2.114 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -34.628 -9.183 2.186 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -34.444 -11.266 1.368 1.00 0.00 N ATOM 0 H GLN A 91 -30.975 -10.195 4.524 1.00 0.00 H new ATOM 0 HA GLN A 91 -31.526 -12.830 5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -33.343 -12.483 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -33.361 -11.438 4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -32.522 -9.587 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -31.909 -10.586 2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -33.910 -12.134 1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -35.303 -11.176 0.826 1.00 0.00 H new ATOM 1327 N SER A 92 -30.820 -14.396 3.317 1.00 0.00 N ATOM 1328 CA SER A 92 -30.289 -15.334 2.335 1.00 0.00 C ATOM 1329 C SER A 92 -30.526 -16.775 2.778 1.00 0.00 C ATOM 1330 O SER A 92 -30.255 -17.137 3.922 1.00 0.00 O ATOM 1331 CB SER A 92 -28.794 -15.093 2.124 1.00 0.00 C ATOM 1332 OG SER A 92 -28.349 -15.680 0.913 1.00 0.00 O ATOM 0 H SER A 92 -31.163 -14.831 4.174 1.00 0.00 H new ATOM 0 HA SER A 92 -30.812 -15.170 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 92 -28.594 -14.022 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.234 -15.509 2.961 1.00 0.00 H new ATOM 0 HG SER A 92 -27.390 -15.510 0.800 1.00 0.00 H new ATOM 1338 N GLY A 93 -31.034 -17.593 1.862 1.00 0.00 N ATOM 1339 CA GLY A 93 -31.299 -18.985 2.175 1.00 0.00 C ATOM 1340 C GLY A 93 -30.050 -19.732 2.598 1.00 0.00 C ATOM 1341 O GLY A 93 -29.015 -19.680 1.934 1.00 0.00 O ATOM 0 H GLY A 93 -31.267 -17.317 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -32.039 -19.040 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -31.733 -19.474 1.303 1.00 0.00 H new ATOM 1345 N PRO A 94 -30.138 -20.447 3.730 1.00 0.00 N ATOM 1346 CA PRO A 94 -29.014 -21.221 4.267 1.00 0.00 C ATOM 1347 C PRO A 94 -28.686 -22.437 3.409 1.00 0.00 C ATOM 1348 O PRO A 94 -29.537 -22.938 2.673 1.00 0.00 O ATOM 1349 CB PRO A 94 -29.512 -21.658 5.647 1.00 0.00 C ATOM 1350 CG PRO A 94 -30.998 -21.662 5.530 1.00 0.00 C ATOM 1351 CD PRO A 94 -31.341 -20.555 4.573 1.00 0.00 C ATOM 0 HA PRO A 94 -28.094 -20.638 4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -29.133 -22.646 5.910 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -29.178 -20.971 6.424 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -31.358 -22.622 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -31.466 -21.498 6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -32.225 -20.794 3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -31.550 -19.622 5.096 1.00 0.00 H new ATOM 1359 N SER A 95 -27.447 -22.909 3.509 1.00 0.00 N ATOM 1360 CA SER A 95 -27.006 -24.066 2.738 1.00 0.00 C ATOM 1361 C SER A 95 -26.402 -25.128 3.652 1.00 0.00 C ATOM 1362 O SER A 95 -25.587 -24.823 4.524 1.00 0.00 O ATOM 1363 CB SER A 95 -25.982 -23.642 1.683 1.00 0.00 C ATOM 1364 OG SER A 95 -24.731 -23.343 2.278 1.00 0.00 O ATOM 0 H SER A 95 -26.732 -22.508 4.116 1.00 0.00 H new ATOM 0 HA SER A 95 -27.876 -24.493 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 95 -25.858 -24.440 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 95 -26.350 -22.769 1.145 1.00 0.00 H new ATOM 0 HG SER A 95 -24.094 -23.076 1.583 1.00 0.00 H new ATOM 1370 N SER A 96 -26.807 -26.377 3.445 1.00 0.00 N ATOM 1371 CA SER A 96 -26.309 -27.485 4.252 1.00 0.00 C ATOM 1372 C SER A 96 -24.924 -27.919 3.784 1.00 0.00 C ATOM 1373 O SER A 96 -24.499 -27.590 2.677 1.00 0.00 O ATOM 1374 CB SER A 96 -27.277 -28.669 4.183 1.00 0.00 C ATOM 1375 OG SER A 96 -27.004 -29.611 5.206 1.00 0.00 O ATOM 0 H SER A 96 -27.478 -26.647 2.726 1.00 0.00 H new ATOM 0 HA SER A 96 -26.234 -27.145 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 96 -28.302 -28.311 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 96 -27.197 -29.152 3.209 1.00 0.00 H new ATOM 0 HG SER A 96 -27.637 -30.357 5.141 1.00 0.00 H new ATOM 1381 N GLY A 97 -24.223 -28.661 4.636 1.00 0.00 N ATOM 1382 CA GLY A 97 -22.892 -29.128 4.293 1.00 0.00 C ATOM 1383 C GLY A 97 -21.922 -27.989 4.051 1.00 0.00 C ATOM 1384 O GLY A 97 -20.810 -27.989 4.578 1.00 0.00 O ATOM 0 H GLY A 97 -24.553 -28.947 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -22.513 -29.759 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.948 -29.750 3.399 1.00 0.00 H new TER 1388 GLY A 97