USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 429 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 6 HIS : no HE2:sc= 0.549 K(o=2,f=-2.8!) USER MOD Set 1.2: A 40 THR OG1 : rot 64:sc= 1.46 USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= -0.489 USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0 X(o=-0.26,f=-0.27) USER MOD Set 2.3: A 15 CYS SG : rot 84:sc= 0.205 USER MOD Set 2.4: A 61 TYR OH : rot -42:sc= 0.0204 USER MOD Single : A 1 ALA N :NH3+ 176:sc= 0 (180deg=-0.0161) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -124:sc= -0.0924 (180deg=-1.24) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= 1.78 (180deg=0.784) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -77:sc= 0.734 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 104:sc= 0.106 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 51 HIS : no HD1:sc=-0.00223 X(o=-0.0022,f=0) USER MOD Single : A 57 THR OG1 : rot -5:sc= 0.52 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.374 -12.909 -7.168 1.00 0.00 N ATOM 2 CA ALA A 1 3.610 -13.648 -5.933 1.00 0.00 C ATOM 3 C ALA A 1 4.346 -12.789 -4.911 1.00 0.00 C ATOM 4 O ALA A 1 5.299 -13.239 -4.279 1.00 0.00 O ATOM 5 CB ALA A 1 4.397 -14.917 -6.223 1.00 0.00 C ATOM 0 H1 ALA A 1 2.933 -13.537 -7.870 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.742 -12.106 -6.976 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.279 -12.556 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 1 2.643 -13.920 -5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.567 -15.460 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.833 -15.545 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.356 -14.656 -6.671 1.00 0.00 H new ATOM 11 N GLY A 2 3.896 -11.546 -4.755 1.00 0.00 N ATOM 12 CA GLY A 2 4.521 -10.646 -3.806 1.00 0.00 C ATOM 13 C GLY A 2 3.805 -10.622 -2.469 1.00 0.00 C ATOM 14 O GLY A 2 3.354 -11.660 -1.981 1.00 0.00 O ATOM 0 H GLY A 2 3.110 -11.148 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.558 -10.947 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.539 -9.639 -4.223 1.00 0.00 H new ATOM 18 N LEU A 3 3.702 -9.438 -1.877 1.00 0.00 N ATOM 19 CA LEU A 3 3.035 -9.284 -0.587 1.00 0.00 C ATOM 20 C LEU A 3 1.636 -8.703 -0.765 1.00 0.00 C ATOM 21 O LEU A 3 1.413 -7.844 -1.616 1.00 0.00 O ATOM 22 CB LEU A 3 3.872 -8.396 0.341 1.00 0.00 C ATOM 23 CG LEU A 3 5.290 -8.905 0.630 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.052 -7.883 1.462 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.213 -10.241 1.353 1.00 0.00 C ATOM 0 H LEU A 3 4.071 -8.571 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 3 2.936 -10.270 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.943 -7.402 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.343 -8.287 1.288 1.00 0.00 H new ATOM 0 HG LEU A 3 5.825 -9.046 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.057 -8.253 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.114 -6.942 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.531 -7.721 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.221 -10.602 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.674 -10.116 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.689 -10.964 0.727 1.00 0.00 H new ATOM 37 N SER A 4 0.697 -9.177 0.048 1.00 0.00 N ATOM 38 CA SER A 4 -0.668 -8.663 0.021 1.00 0.00 C ATOM 39 C SER A 4 -1.081 -8.147 1.396 1.00 0.00 C ATOM 40 O SER A 4 -0.913 -8.831 2.405 1.00 0.00 O ATOM 41 CB SER A 4 -1.624 -9.741 -0.450 1.00 0.00 C ATOM 42 OG SER A 4 -2.955 -9.302 -0.447 1.00 0.00 O ATOM 0 H SER A 4 0.856 -9.916 0.733 1.00 0.00 H new ATOM 0 HA SER A 4 -0.707 -7.829 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.348 -10.055 -1.457 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.529 -10.616 0.194 1.00 0.00 H new ATOM 0 HG SER A 4 -3.539 -10.025 -0.758 1.00 0.00 H new ATOM 48 N PHE A 5 -1.623 -6.933 1.427 1.00 0.00 N ATOM 49 CA PHE A 5 -2.045 -6.316 2.679 1.00 0.00 C ATOM 50 C PHE A 5 -3.400 -5.634 2.519 1.00 0.00 C ATOM 51 O PHE A 5 -3.608 -4.851 1.592 1.00 0.00 O ATOM 52 CB PHE A 5 -0.998 -5.308 3.159 1.00 0.00 C ATOM 53 CG PHE A 5 -1.301 -4.717 4.506 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.100 -5.453 5.664 1.00 0.00 C ATOM 55 CD2 PHE A 5 -1.786 -3.423 4.619 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.378 -4.910 6.904 1.00 0.00 C ATOM 57 CE2 PHE A 5 -2.063 -2.876 5.856 1.00 0.00 C ATOM 58 CZ PHE A 5 -1.859 -3.622 7.001 1.00 0.00 C ATOM 0 H PHE A 5 -1.780 -6.358 0.599 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.143 -7.102 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.025 -5.799 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.920 -4.503 2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.722 -6.462 5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.949 -2.835 3.728 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.218 -5.495 7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.439 -1.866 5.929 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.076 -3.197 7.970 1.00 0.00 H new ATOM 68 N HIS A 6 -4.320 -5.937 3.429 1.00 0.00 N ATOM 69 CA HIS A 6 -5.696 -5.467 3.314 1.00 0.00 C ATOM 70 C HIS A 6 -5.921 -4.229 4.177 1.00 0.00 C ATOM 71 O HIS A 6 -5.585 -4.217 5.361 1.00 0.00 O ATOM 72 CB HIS A 6 -6.682 -6.571 3.707 1.00 0.00 C ATOM 73 CG HIS A 6 -8.119 -6.176 3.557 1.00 0.00 C ATOM 74 ND1 HIS A 6 -8.755 -6.137 2.334 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.042 -5.802 4.474 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.009 -5.756 2.506 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.207 -5.547 3.795 1.00 0.00 N ATOM 0 H HIS A 6 -4.137 -6.507 4.255 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.872 -5.199 2.272 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.491 -7.452 3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.499 -6.857 4.743 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.325 -6.366 1.438 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.890 -5.720 5.540 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.746 -5.636 1.726 1.00 0.00 H new ATOM 84 N VAL A 7 -6.491 -3.189 3.575 1.00 0.00 N ATOM 85 CA VAL A 7 -6.709 -1.928 4.273 1.00 0.00 C ATOM 86 C VAL A 7 -8.175 -1.515 4.215 1.00 0.00 C ATOM 87 O VAL A 7 -8.714 -1.254 3.141 1.00 0.00 O ATOM 88 CB VAL A 7 -5.842 -0.800 3.684 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.087 0.504 4.429 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.369 -1.174 3.739 1.00 0.00 C ATOM 0 H VAL A 7 -6.810 -3.196 2.606 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.421 -2.088 5.312 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.123 -0.660 2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.466 1.290 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.137 0.782 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.833 0.375 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.772 -0.365 3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.075 -1.341 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.203 -2.084 3.163 1.00 0.00 H new ATOM 100 N GLU A 8 -8.815 -1.456 5.379 1.00 0.00 N ATOM 101 CA GLU A 8 -10.245 -1.185 5.452 1.00 0.00 C ATOM 102 C GLU A 8 -10.545 0.259 5.059 1.00 0.00 C ATOM 103 O GLU A 8 -11.617 0.560 4.533 1.00 0.00 O ATOM 104 CB GLU A 8 -10.776 -1.470 6.858 1.00 0.00 C ATOM 105 CG GLU A 8 -10.796 -2.945 7.235 1.00 0.00 C ATOM 106 CD GLU A 8 -11.280 -3.143 8.644 1.00 0.00 C ATOM 107 OE1 GLU A 8 -11.542 -2.166 9.304 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.496 -4.270 9.024 1.00 0.00 O ATOM 0 H GLU A 8 -8.365 -1.592 6.284 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.749 -1.846 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.164 -0.931 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.788 -1.073 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.442 -3.490 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.795 -3.363 7.130 1.00 0.00 H new ATOM 115 N ASP A 9 -9.592 1.147 5.319 1.00 0.00 N ATOM 116 CA ASP A 9 -9.814 2.579 5.151 1.00 0.00 C ATOM 117 C ASP A 9 -9.877 2.950 3.673 1.00 0.00 C ATOM 118 O ASP A 9 -10.328 4.036 3.313 1.00 0.00 O ATOM 119 CB ASP A 9 -8.712 3.379 5.850 1.00 0.00 C ATOM 120 CG ASP A 9 -8.837 3.428 7.367 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.866 3.046 7.872 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.853 3.696 8.015 1.00 0.00 O ATOM 0 H ASP A 9 -8.658 0.901 5.647 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.771 2.828 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.746 2.946 5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.719 4.398 5.464 1.00 0.00 H new ATOM 127 N MET A 10 -9.421 2.039 2.819 1.00 0.00 N ATOM 128 CA MET A 10 -9.420 2.271 1.380 1.00 0.00 C ATOM 129 C MET A 10 -10.846 2.342 0.840 1.00 0.00 C ATOM 130 O MET A 10 -11.680 1.492 1.151 1.00 0.00 O ATOM 131 CB MET A 10 -8.636 1.173 0.666 1.00 0.00 C ATOM 132 CG MET A 10 -7.133 1.214 0.904 1.00 0.00 C ATOM 133 SD MET A 10 -6.265 -0.158 0.120 1.00 0.00 S ATOM 134 CE MET A 10 -6.353 0.325 -1.602 1.00 0.00 C ATOM 0 H MET A 10 -9.047 1.132 3.100 1.00 0.00 H new ATOM 0 HA MET A 10 -8.935 3.228 1.189 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.016 0.204 0.989 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.824 1.248 -0.405 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.735 2.155 0.524 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.939 1.196 1.976 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.820 -0.472 -2.180 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.945 1.236 -1.695 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.347 0.506 -1.981 1.00 0.00 H new ATOM 144 N THR A 11 -11.117 3.362 0.031 1.00 0.00 N ATOM 145 CA THR A 11 -12.451 3.565 -0.520 1.00 0.00 C ATOM 146 C THR A 11 -12.412 3.648 -2.041 1.00 0.00 C ATOM 147 O THR A 11 -13.071 2.870 -2.732 1.00 0.00 O ATOM 148 CB THR A 11 -13.104 4.843 0.038 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.151 4.773 1.470 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.516 5.002 -0.504 1.00 0.00 C ATOM 0 H THR A 11 -10.431 4.060 -0.257 1.00 0.00 H new ATOM 0 HA THR A 11 -13.048 2.703 -0.222 1.00 0.00 H new ATOM 0 HB THR A 11 -12.508 5.702 -0.272 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.565 5.588 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.961 5.911 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.483 5.068 -1.591 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.117 4.141 -0.211 1.00 0.00 H new ATOM 158 N CYS A 12 -11.635 4.594 -2.557 1.00 0.00 N ATOM 159 CA CYS A 12 -11.550 4.812 -3.996 1.00 0.00 C ATOM 160 C CYS A 12 -10.105 5.046 -4.426 1.00 0.00 C ATOM 161 O CYS A 12 -9.191 5.020 -3.604 1.00 0.00 O ATOM 162 CB CYS A 12 -12.385 6.077 -4.198 1.00 0.00 C ATOM 163 SG CYS A 12 -11.742 7.542 -3.355 1.00 0.00 S ATOM 0 H CYS A 12 -11.055 5.222 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.900 3.962 -4.582 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.451 6.287 -5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.399 5.887 -3.847 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.520 8.556 -3.592 1.00 0.00 H new ATOM 169 N GLY A 13 -9.906 5.274 -5.721 1.00 0.00 N ATOM 170 CA GLY A 13 -8.564 5.403 -6.255 1.00 0.00 C ATOM 171 C GLY A 13 -7.808 6.569 -5.647 1.00 0.00 C ATOM 172 O GLY A 13 -6.579 6.621 -5.708 1.00 0.00 O ATOM 0 H GLY A 13 -10.652 5.372 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.013 4.481 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.617 5.532 -7.336 1.00 0.00 H new ATOM 176 N HIS A 14 -8.544 7.509 -5.062 1.00 0.00 N ATOM 177 CA HIS A 14 -7.934 8.677 -4.435 1.00 0.00 C ATOM 178 C HIS A 14 -7.307 8.307 -3.094 1.00 0.00 C ATOM 179 O HIS A 14 -6.429 9.010 -2.595 1.00 0.00 O ATOM 180 CB HIS A 14 -8.968 9.792 -4.245 1.00 0.00 C ATOM 181 CG HIS A 14 -9.490 10.354 -5.530 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.730 11.159 -6.352 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.695 10.229 -6.134 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.447 11.504 -7.409 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.641 10.952 -7.299 1.00 0.00 N ATOM 0 H HIS A 14 -9.562 7.485 -5.009 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.147 9.041 -5.096 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.804 9.405 -3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.519 10.597 -3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.540 9.666 -5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.113 12.130 -8.223 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.401 11.048 -7.972 1.00 0.00 H new ATOM 192 N CYS A 15 -7.764 7.201 -2.517 1.00 0.00 N ATOM 193 CA CYS A 15 -7.167 6.673 -1.296 1.00 0.00 C ATOM 194 C CYS A 15 -6.065 5.670 -1.619 1.00 0.00 C ATOM 195 O CYS A 15 -5.025 5.640 -0.960 1.00 0.00 O ATOM 196 CB CYS A 15 -8.347 5.980 -0.613 1.00 0.00 C ATOM 197 SG CYS A 15 -9.684 7.092 -0.118 1.00 0.00 S ATOM 0 H CYS A 15 -8.546 6.653 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.698 7.440 -0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.750 5.226 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.982 5.455 0.270 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.468 7.307 -1.133 1.00 0.00 H new ATOM 203 N ALA A 16 -6.301 4.848 -2.636 1.00 0.00 N ATOM 204 CA ALA A 16 -5.304 3.885 -3.086 1.00 0.00 C ATOM 205 C ALA A 16 -4.058 4.589 -3.613 1.00 0.00 C ATOM 206 O ALA A 16 -2.938 4.120 -3.418 1.00 0.00 O ATOM 207 CB ALA A 16 -5.892 2.977 -4.158 1.00 0.00 C ATOM 0 H ALA A 16 -7.174 4.830 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.011 3.277 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.136 2.263 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.747 2.439 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.214 3.579 -5.008 1.00 0.00 H new ATOM 213 N GLY A 17 -4.260 5.720 -4.282 1.00 0.00 N ATOM 214 CA GLY A 17 -3.147 6.457 -4.849 1.00 0.00 C ATOM 215 C GLY A 17 -2.181 6.951 -3.790 1.00 0.00 C ATOM 216 O GLY A 17 -0.969 6.969 -4.004 1.00 0.00 O ATOM 0 H GLY A 17 -5.176 6.139 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.614 5.819 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.528 7.307 -5.414 1.00 0.00 H new ATOM 220 N VAL A 18 -2.717 7.355 -2.643 1.00 0.00 N ATOM 221 CA VAL A 18 -1.898 7.873 -1.555 1.00 0.00 C ATOM 222 C VAL A 18 -0.962 6.799 -1.010 1.00 0.00 C ATOM 223 O VAL A 18 0.215 7.054 -0.758 1.00 0.00 O ATOM 224 CB VAL A 18 -2.764 8.419 -0.405 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.892 8.813 0.778 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.589 9.607 -0.876 1.00 0.00 C ATOM 0 H VAL A 18 -3.717 7.333 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.306 8.689 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.446 7.631 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.521 9.197 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.343 7.940 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.187 9.585 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.195 9.980 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.924 10.397 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.241 9.296 -1.693 1.00 0.00 H new ATOM 236 N ILE A 19 -1.497 5.595 -0.830 1.00 0.00 N ATOM 237 CA ILE A 19 -0.694 4.461 -0.390 1.00 0.00 C ATOM 238 C ILE A 19 0.392 4.129 -1.408 1.00 0.00 C ATOM 239 O ILE A 19 1.547 3.897 -1.048 1.00 0.00 O ATOM 240 CB ILE A 19 -1.561 3.213 -0.152 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.492 3.429 1.045 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.685 1.989 0.066 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.563 2.372 1.185 1.00 0.00 C ATOM 0 H ILE A 19 -2.483 5.381 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.229 4.751 0.552 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.173 3.043 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.896 3.452 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.968 4.405 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.315 1.116 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.063 1.825 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.048 2.148 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.182 2.594 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.185 2.363 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.096 1.395 1.312 1.00 0.00 H new ATOM 255 N LYS A 20 0.016 4.108 -2.682 1.00 0.00 N ATOM 256 CA LYS A 20 0.959 3.819 -3.755 1.00 0.00 C ATOM 257 C LYS A 20 2.080 4.852 -3.788 1.00 0.00 C ATOM 258 O LYS A 20 3.248 4.510 -3.959 1.00 0.00 O ATOM 259 CB LYS A 20 0.240 3.774 -5.104 1.00 0.00 C ATOM 260 CG LYS A 20 1.149 3.494 -6.292 1.00 0.00 C ATOM 261 CD LYS A 20 0.347 3.085 -7.519 1.00 0.00 C ATOM 262 CE LYS A 20 1.240 2.944 -8.743 1.00 0.00 C ATOM 263 NZ LYS A 20 2.307 1.928 -8.541 1.00 0.00 N ATOM 0 H LYS A 20 -0.937 4.288 -2.997 1.00 0.00 H new ATOM 0 HA LYS A 20 1.400 2.841 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.533 3.006 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.265 4.727 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.737 4.383 -6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.853 2.703 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.160 2.140 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.426 3.828 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.633 2.666 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.696 3.907 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.704 1.653 -9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.060 2.329 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.905 1.091 -8.074 1.00 0.00 H new ATOM 277 N GLY A 21 1.714 6.121 -3.620 1.00 0.00 N ATOM 278 CA GLY A 21 2.705 7.182 -3.607 1.00 0.00 C ATOM 279 C GLY A 21 3.650 7.078 -2.427 1.00 0.00 C ATOM 280 O GLY A 21 4.851 7.302 -2.564 1.00 0.00 O ATOM 0 H GLY A 21 0.751 6.432 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.280 7.150 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.199 8.147 -3.579 1.00 0.00 H new ATOM 284 N ALA A 22 3.106 6.738 -1.263 1.00 0.00 N ATOM 285 CA ALA A 22 3.906 6.620 -0.050 1.00 0.00 C ATOM 286 C ALA A 22 4.946 5.514 -0.184 1.00 0.00 C ATOM 287 O ALA A 22 6.101 5.687 0.203 1.00 0.00 O ATOM 288 CB ALA A 22 3.009 6.363 1.151 1.00 0.00 C ATOM 0 H ALA A 22 2.114 6.539 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 22 4.434 7.562 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.620 6.277 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.309 7.190 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.454 5.437 0.999 1.00 0.00 H new ATOM 294 N ILE A 23 4.528 4.379 -0.733 1.00 0.00 N ATOM 295 CA ILE A 23 5.421 3.240 -0.907 1.00 0.00 C ATOM 296 C ILE A 23 6.537 3.561 -1.895 1.00 0.00 C ATOM 297 O ILE A 23 7.710 3.308 -1.626 1.00 0.00 O ATOM 298 CB ILE A 23 4.659 1.993 -1.393 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.709 1.490 -0.304 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.635 0.899 -1.800 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.731 0.442 -0.782 1.00 0.00 C ATOM 0 H ILE A 23 3.576 4.223 -1.065 1.00 0.00 H new ATOM 0 HA ILE A 23 5.856 3.029 0.070 1.00 0.00 H new ATOM 0 HB ILE A 23 4.067 2.267 -2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.297 1.077 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.152 2.336 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.080 0.025 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.272 1.262 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.253 0.626 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.092 0.136 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.116 0.856 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.279 -0.423 -1.157 1.00 0.00 H new ATOM 313 N GLU A 24 6.161 4.123 -3.040 1.00 0.00 N ATOM 314 CA GLU A 24 7.124 4.430 -4.093 1.00 0.00 C ATOM 315 C GLU A 24 8.120 5.487 -3.625 1.00 0.00 C ATOM 316 O GLU A 24 9.303 5.435 -3.966 1.00 0.00 O ATOM 317 CB GLU A 24 6.405 4.903 -5.358 1.00 0.00 C ATOM 318 CG GLU A 24 5.639 3.811 -6.092 1.00 0.00 C ATOM 319 CD GLU A 24 4.859 4.374 -7.246 1.00 0.00 C ATOM 320 OE1 GLU A 24 4.866 5.568 -7.418 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.347 3.602 -8.024 1.00 0.00 O ATOM 0 H GLU A 24 5.198 4.375 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 24 7.674 3.518 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.711 5.700 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.139 5.335 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.336 3.056 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.960 3.312 -5.400 1.00 0.00 H new ATOM 328 N LYS A 25 7.634 6.447 -2.846 1.00 0.00 N ATOM 329 CA LYS A 25 8.472 7.538 -2.362 1.00 0.00 C ATOM 330 C LYS A 25 9.522 7.024 -1.382 1.00 0.00 C ATOM 331 O LYS A 25 10.693 7.401 -1.457 1.00 0.00 O ATOM 332 CB LYS A 25 7.617 8.619 -1.699 1.00 0.00 C ATOM 333 CG LYS A 25 8.398 9.838 -1.226 1.00 0.00 C ATOM 334 CD LYS A 25 7.468 10.927 -0.715 1.00 0.00 C ATOM 335 CE LYS A 25 8.249 12.132 -0.211 1.00 0.00 C ATOM 336 NZ LYS A 25 7.353 13.193 0.321 1.00 0.00 N ATOM 0 H LYS A 25 6.663 6.492 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 25 8.985 7.974 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.853 8.944 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.098 8.182 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.088 9.546 -0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.001 10.227 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.794 11.236 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.848 10.531 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.940 11.815 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.851 12.539 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.925 13.996 0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.710 13.514 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.796 12.813 1.113 1.00 0.00 H new ATOM 350 N THR A 26 9.098 6.162 -0.463 1.00 0.00 N ATOM 351 CA THR A 26 9.972 5.687 0.601 1.00 0.00 C ATOM 352 C THR A 26 10.739 4.442 0.170 1.00 0.00 C ATOM 353 O THR A 26 11.761 4.095 0.760 1.00 0.00 O ATOM 354 CB THR A 26 9.181 5.373 1.884 1.00 0.00 C ATOM 355 OG1 THR A 26 8.236 4.328 1.621 1.00 0.00 O ATOM 356 CG2 THR A 26 8.441 6.610 2.371 1.00 0.00 C ATOM 0 H THR A 26 8.153 5.779 -0.435 1.00 0.00 H new ATOM 0 HA THR A 26 10.679 6.490 0.809 1.00 0.00 H new ATOM 0 HB THR A 26 9.881 5.054 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.467 4.696 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.888 6.369 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.158 7.403 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.746 6.945 1.601 1.00 0.00 H new ATOM 364 N VAL A 27 10.238 3.773 -0.864 1.00 0.00 N ATOM 365 CA VAL A 27 10.907 2.599 -1.412 1.00 0.00 C ATOM 366 C VAL A 27 11.037 2.699 -2.928 1.00 0.00 C ATOM 367 O VAL A 27 10.084 2.469 -3.673 1.00 0.00 O ATOM 368 CB VAL A 27 10.158 1.302 -1.054 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.890 0.093 -1.616 1.00 0.00 C ATOM 370 CG2 VAL A 27 10.002 1.176 0.453 1.00 0.00 C ATOM 0 H VAL A 27 9.371 4.024 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 27 11.901 2.566 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 27 9.165 1.343 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.347 -0.815 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.953 0.178 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.895 0.049 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.471 0.254 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.987 1.157 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.437 2.027 0.833 1.00 0.00 H new ATOM 380 N PRO A 28 12.243 3.050 -3.396 1.00 0.00 N ATOM 381 CA PRO A 28 12.520 3.210 -4.826 1.00 0.00 C ATOM 382 C PRO A 28 12.512 1.882 -5.573 1.00 0.00 C ATOM 383 O PRO A 28 13.077 0.893 -5.107 1.00 0.00 O ATOM 384 CB PRO A 28 13.901 3.874 -4.862 1.00 0.00 C ATOM 385 CG PRO A 28 14.543 3.464 -3.581 1.00 0.00 C ATOM 386 CD PRO A 28 13.426 3.413 -2.573 1.00 0.00 C ATOM 0 HA PRO A 28 11.755 3.803 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.481 3.539 -5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.819 4.958 -4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.029 2.493 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.311 4.177 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.618 2.673 -1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.290 4.372 -2.073 1.00 0.00 H new ATOM 394 N GLY A 29 11.867 1.863 -6.735 1.00 0.00 N ATOM 395 CA GLY A 29 11.810 0.653 -7.535 1.00 0.00 C ATOM 396 C GLY A 29 10.682 -0.268 -7.113 1.00 0.00 C ATOM 397 O GLY A 29 10.576 -1.393 -7.599 1.00 0.00 O ATOM 0 H GLY A 29 11.382 2.665 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.684 0.920 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.758 0.122 -7.453 1.00 0.00 H new ATOM 401 N ALA A 30 9.839 0.209 -6.204 1.00 0.00 N ATOM 402 CA ALA A 30 8.731 -0.590 -5.695 1.00 0.00 C ATOM 403 C ALA A 30 7.584 -0.640 -6.698 1.00 0.00 C ATOM 404 O ALA A 30 7.145 0.393 -7.205 1.00 0.00 O ATOM 405 CB ALA A 30 8.248 -0.036 -4.364 1.00 0.00 C ATOM 0 H ALA A 30 9.902 1.145 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 30 9.090 -1.608 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.421 -0.643 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.064 -0.060 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.912 0.992 -4.498 1.00 0.00 H new ATOM 411 N ALA A 31 7.102 -1.846 -6.981 1.00 0.00 N ATOM 412 CA ALA A 31 5.911 -2.019 -7.803 1.00 0.00 C ATOM 413 C ALA A 31 4.669 -2.206 -6.939 1.00 0.00 C ATOM 414 O ALA A 31 4.577 -3.160 -6.166 1.00 0.00 O ATOM 415 CB ALA A 31 6.087 -3.202 -8.743 1.00 0.00 C ATOM 0 H ALA A 31 7.518 -2.717 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 31 5.774 -1.115 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.190 -3.320 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.945 -3.027 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.252 -4.108 -8.160 1.00 0.00 H new ATOM 421 N VAL A 32 3.715 -1.289 -7.073 1.00 0.00 N ATOM 422 CA VAL A 32 2.513 -1.310 -6.250 1.00 0.00 C ATOM 423 C VAL A 32 1.260 -1.442 -7.108 1.00 0.00 C ATOM 424 O VAL A 32 0.998 -0.607 -7.975 1.00 0.00 O ATOM 425 CB VAL A 32 2.400 -0.042 -5.383 1.00 0.00 C ATOM 426 CG1 VAL A 32 1.134 -0.085 -4.540 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.625 0.107 -4.494 1.00 0.00 C ATOM 0 H VAL A 32 3.752 -0.522 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 32 2.594 -2.179 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 32 2.346 0.823 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.070 0.818 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.264 -0.146 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.160 -0.958 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.528 1.008 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.708 -0.762 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.518 0.181 -5.115 1.00 0.00 H new ATOM 437 N HIS A 33 0.488 -2.495 -6.861 1.00 0.00 N ATOM 438 CA HIS A 33 -0.822 -2.646 -7.484 1.00 0.00 C ATOM 439 C HIS A 33 -1.929 -2.618 -6.434 1.00 0.00 C ATOM 440 O HIS A 33 -2.110 -3.576 -5.683 1.00 0.00 O ATOM 441 CB HIS A 33 -0.893 -3.947 -8.290 1.00 0.00 C ATOM 442 CG HIS A 33 0.163 -4.060 -9.345 1.00 0.00 C ATOM 443 ND1 HIS A 33 0.062 -3.434 -10.569 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.341 -4.727 -9.359 1.00 0.00 C ATOM 445 CE1 HIS A 33 1.133 -3.710 -11.291 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.925 -4.493 -10.580 1.00 0.00 N ATOM 0 H HIS A 33 0.747 -3.257 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.968 -1.807 -8.164 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.804 -4.792 -7.607 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.873 -4.019 -8.761 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.746 -5.330 -8.560 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.328 -3.356 -12.292 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.824 -4.864 -10.888 1.00 0.00 H new ATOM 453 N ALA A 34 -2.667 -1.514 -6.389 1.00 0.00 N ATOM 454 CA ALA A 34 -3.653 -1.297 -5.338 1.00 0.00 C ATOM 455 C ALA A 34 -5.072 -1.361 -5.894 1.00 0.00 C ATOM 456 O ALA A 34 -5.343 -0.861 -6.985 1.00 0.00 O ATOM 457 CB ALA A 34 -3.412 0.041 -4.655 1.00 0.00 C ATOM 0 H ALA A 34 -2.601 -0.756 -7.068 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.543 -2.093 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.156 0.189 -3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.415 0.050 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.492 0.843 -5.388 1.00 0.00 H new ATOM 463 N ASP A 35 -5.972 -1.979 -5.137 1.00 0.00 N ATOM 464 CA ASP A 35 -7.374 -2.059 -5.528 1.00 0.00 C ATOM 465 C ASP A 35 -8.283 -1.618 -4.386 1.00 0.00 C ATOM 466 O ASP A 35 -8.486 -2.337 -3.409 1.00 0.00 O ATOM 467 CB ASP A 35 -7.730 -3.481 -5.968 1.00 0.00 C ATOM 468 CG ASP A 35 -9.177 -3.661 -6.406 1.00 0.00 C ATOM 469 OD1 ASP A 35 -9.969 -2.784 -6.147 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.448 -4.591 -7.127 1.00 0.00 O ATOM 0 H ASP A 35 -5.755 -2.432 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.527 -1.384 -6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.076 -3.768 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.525 -4.165 -5.145 1.00 0.00 H new ATOM 475 N PRO A 36 -8.841 -0.404 -4.509 1.00 0.00 N ATOM 476 CA PRO A 36 -9.671 0.195 -3.459 1.00 0.00 C ATOM 477 C PRO A 36 -11.077 -0.393 -3.425 1.00 0.00 C ATOM 478 O PRO A 36 -11.759 -0.338 -2.403 1.00 0.00 O ATOM 479 CB PRO A 36 -9.719 1.676 -3.847 1.00 0.00 C ATOM 480 CG PRO A 36 -9.524 1.687 -5.324 1.00 0.00 C ATOM 481 CD PRO A 36 -8.583 0.552 -5.625 1.00 0.00 C ATOM 0 HA PRO A 36 -9.264 0.014 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.672 2.127 -3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.938 2.244 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.473 1.556 -5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.107 2.638 -5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.790 0.103 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.544 0.882 -5.641 1.00 0.00 H new ATOM 489 N ALA A 37 -11.506 -0.955 -4.552 1.00 0.00 N ATOM 490 CA ALA A 37 -12.755 -1.705 -4.603 1.00 0.00 C ATOM 491 C ALA A 37 -12.651 -3.000 -3.804 1.00 0.00 C ATOM 492 O ALA A 37 -13.618 -3.432 -3.175 1.00 0.00 O ATOM 493 CB ALA A 37 -13.133 -2.001 -6.046 1.00 0.00 C ATOM 0 H ALA A 37 -11.007 -0.905 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.537 -1.093 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.068 -2.562 -6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.258 -1.064 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.345 -2.590 -6.515 1.00 0.00 H new ATOM 499 N SER A 38 -11.473 -3.615 -3.832 1.00 0.00 N ATOM 500 CA SER A 38 -11.204 -4.791 -3.013 1.00 0.00 C ATOM 501 C SER A 38 -10.515 -4.399 -1.711 1.00 0.00 C ATOM 502 O SER A 38 -10.286 -5.237 -0.839 1.00 0.00 O ATOM 503 CB SER A 38 -10.357 -5.784 -3.785 1.00 0.00 C ATOM 504 OG SER A 38 -11.015 -6.264 -4.926 1.00 0.00 O ATOM 0 H SER A 38 -10.689 -3.318 -4.413 1.00 0.00 H new ATOM 0 HA SER A 38 -12.155 -5.262 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.421 -5.309 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.099 -6.621 -3.136 1.00 0.00 H new ATOM 0 HG SER A 38 -10.642 -5.834 -5.724 1.00 0.00 H new ATOM 510 N ARG A 39 -10.186 -3.117 -1.584 1.00 0.00 N ATOM 511 CA ARG A 39 -9.601 -2.595 -0.355 1.00 0.00 C ATOM 512 C ARG A 39 -8.305 -3.323 -0.015 1.00 0.00 C ATOM 513 O ARG A 39 -7.966 -3.499 1.154 1.00 0.00 O ATOM 514 CB ARG A 39 -10.583 -2.628 0.808 1.00 0.00 C ATOM 515 CG ARG A 39 -11.766 -1.682 0.673 1.00 0.00 C ATOM 516 CD ARG A 39 -12.476 -1.404 1.948 1.00 0.00 C ATOM 517 NE ARG A 39 -13.197 -2.541 2.497 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.672 -2.609 3.756 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.473 -1.629 4.610 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.325 -3.700 4.119 1.00 0.00 N ATOM 0 H ARG A 39 -10.315 -2.421 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.361 -1.546 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.960 -3.645 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.046 -2.387 1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.416 -0.739 0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.475 -2.105 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.751 -1.059 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.180 -0.587 1.787 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.354 -3.343 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.952 -0.800 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.840 -1.697 5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.457 -4.461 3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.696 -3.781 5.066 1.00 0.00 H new ATOM 534 N THR A 40 -7.583 -3.747 -1.050 1.00 0.00 N ATOM 535 CA THR A 40 -6.402 -4.580 -0.866 1.00 0.00 C ATOM 536 C THR A 40 -5.235 -4.072 -1.706 1.00 0.00 C ATOM 537 O THR A 40 -5.413 -3.674 -2.858 1.00 0.00 O ATOM 538 CB THR A 40 -6.684 -6.049 -1.232 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.790 -6.533 -0.458 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.461 -6.911 -0.958 1.00 0.00 C ATOM 0 H THR A 40 -7.797 -3.527 -2.023 1.00 0.00 H new ATOM 0 HA THR A 40 -6.138 -4.523 0.190 1.00 0.00 H new ATOM 0 HB THR A 40 -6.923 -6.104 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.599 -6.033 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.679 -7.946 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.622 -6.553 -1.555 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.205 -6.853 0.100 1.00 0.00 H new ATOM 548 N VAL A 41 -4.041 -4.087 -1.123 1.00 0.00 N ATOM 549 CA VAL A 41 -2.847 -3.610 -1.812 1.00 0.00 C ATOM 550 C VAL A 41 -1.849 -4.742 -2.029 1.00 0.00 C ATOM 551 O VAL A 41 -1.504 -5.467 -1.097 1.00 0.00 O ATOM 552 CB VAL A 41 -2.160 -2.474 -1.031 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.919 -1.996 -1.770 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.125 -1.320 -0.810 1.00 0.00 C ATOM 0 H VAL A 41 -3.874 -4.424 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.173 -3.227 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.856 -2.859 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.446 -1.193 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.219 -2.824 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.202 -1.627 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.623 -0.527 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.459 -0.935 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.986 -1.670 -0.241 1.00 0.00 H new ATOM 564 N VAL A 42 -1.387 -4.887 -3.267 1.00 0.00 N ATOM 565 CA VAL A 42 -0.357 -5.866 -3.590 1.00 0.00 C ATOM 566 C VAL A 42 0.968 -5.185 -3.911 1.00 0.00 C ATOM 567 O VAL A 42 1.038 -4.318 -4.783 1.00 0.00 O ATOM 568 CB VAL A 42 -0.770 -6.751 -4.781 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.339 -7.734 -5.124 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.061 -7.493 -4.469 1.00 0.00 C ATOM 0 H VAL A 42 -1.711 -4.338 -4.063 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.235 -6.495 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.941 -6.109 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.030 -8.351 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.243 -7.185 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.540 -8.371 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.339 -8.114 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.915 -8.124 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.855 -6.773 -4.270 1.00 0.00 H new ATOM 580 N VAL A 43 2.020 -5.582 -3.201 1.00 0.00 N ATOM 581 CA VAL A 43 3.314 -4.919 -3.316 1.00 0.00 C ATOM 582 C VAL A 43 4.402 -5.907 -3.721 1.00 0.00 C ATOM 583 O VAL A 43 4.497 -7.004 -3.173 1.00 0.00 O ATOM 584 CB VAL A 43 3.718 -4.237 -1.995 1.00 0.00 C ATOM 585 CG1 VAL A 43 5.055 -3.527 -2.150 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.644 -3.255 -1.552 1.00 0.00 C ATOM 0 H VAL A 43 2.001 -6.359 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 43 3.212 -4.158 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 43 3.821 -5.005 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.325 -3.051 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.822 -4.251 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.977 -2.770 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.946 -2.783 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.511 -2.491 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.704 -3.787 -1.403 1.00 0.00 H new ATOM 596 N GLY A 44 5.225 -5.509 -4.687 1.00 0.00 N ATOM 597 CA GLY A 44 6.306 -6.364 -5.140 1.00 0.00 C ATOM 598 C GLY A 44 7.435 -6.454 -4.132 1.00 0.00 C ATOM 599 O GLY A 44 7.249 -6.161 -2.952 1.00 0.00 O ATOM 0 H GLY A 44 5.162 -4.609 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.917 -7.363 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.695 -5.983 -6.084 1.00 0.00 H new ATOM 603 N GLY A 45 8.612 -6.862 -4.600 1.00 0.00 N ATOM 604 CA GLY A 45 9.734 -7.070 -3.702 1.00 0.00 C ATOM 605 C GLY A 45 10.053 -5.838 -2.877 1.00 0.00 C ATOM 606 O GLY A 45 10.469 -4.812 -3.417 1.00 0.00 O ATOM 0 H GLY A 45 8.808 -7.052 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.512 -7.903 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.612 -7.352 -4.282 1.00 0.00 H new ATOM 610 N VAL A 46 9.857 -5.939 -1.567 1.00 0.00 N ATOM 611 CA VAL A 46 10.128 -4.824 -0.666 1.00 0.00 C ATOM 612 C VAL A 46 10.672 -5.317 0.670 1.00 0.00 C ATOM 613 O VAL A 46 10.788 -6.521 0.898 1.00 0.00 O ATOM 614 CB VAL A 46 8.863 -3.981 -0.417 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.435 -3.272 -1.693 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.735 -4.854 0.109 1.00 0.00 C ATOM 0 H VAL A 46 9.512 -6.780 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 46 10.879 -4.200 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 46 9.095 -3.227 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.540 -2.681 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.237 -2.615 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.221 -4.011 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.850 -4.241 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.505 -5.630 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.041 -5.318 1.047 1.00 0.00 H new ATOM 626 N SER A 47 11.004 -4.378 1.550 1.00 0.00 N ATOM 627 CA SER A 47 11.475 -4.718 2.888 1.00 0.00 C ATOM 628 C SER A 47 10.435 -5.541 3.638 1.00 0.00 C ATOM 629 O SER A 47 9.323 -5.750 3.152 1.00 0.00 O ATOM 630 CB SER A 47 11.811 -3.457 3.661 1.00 0.00 C ATOM 631 OG SER A 47 10.672 -2.691 3.940 1.00 0.00 O ATOM 0 H SER A 47 10.956 -3.377 1.361 1.00 0.00 H new ATOM 0 HA SER A 47 12.377 -5.322 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.305 -3.726 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.518 -2.858 3.087 1.00 0.00 H new ATOM 0 HG SER A 47 10.931 -1.889 4.440 1.00 0.00 H new ATOM 637 N ASP A 48 10.803 -6.008 4.826 1.00 0.00 N ATOM 638 CA ASP A 48 9.979 -6.956 5.566 1.00 0.00 C ATOM 639 C ASP A 48 8.500 -6.597 5.447 1.00 0.00 C ATOM 640 O ASP A 48 8.133 -5.421 5.461 1.00 0.00 O ATOM 641 CB ASP A 48 10.395 -7.000 7.038 1.00 0.00 C ATOM 642 CG ASP A 48 9.744 -8.116 7.843 1.00 0.00 C ATOM 643 OD1 ASP A 48 8.553 -8.061 8.042 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.406 -9.088 8.117 1.00 0.00 O ATOM 0 H ASP A 48 11.668 -5.745 5.298 1.00 0.00 H new ATOM 0 HA ASP A 48 10.131 -7.944 5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.478 -7.113 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.150 -6.044 7.501 1.00 0.00 H new ATOM 649 N ALA A 49 7.655 -7.616 5.329 1.00 0.00 N ATOM 650 CA ALA A 49 6.227 -7.406 5.133 1.00 0.00 C ATOM 651 C ALA A 49 5.654 -6.485 6.204 1.00 0.00 C ATOM 652 O ALA A 49 4.727 -5.719 5.947 1.00 0.00 O ATOM 653 CB ALA A 49 5.492 -8.739 5.133 1.00 0.00 C ATOM 0 H ALA A 49 7.936 -8.596 5.366 1.00 0.00 H new ATOM 0 HA ALA A 49 6.086 -6.925 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.426 -8.567 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.873 -9.365 4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.650 -9.241 6.087 1.00 0.00 H new ATOM 659 N ALA A 50 6.214 -6.566 7.408 1.00 0.00 N ATOM 660 CA ALA A 50 5.830 -5.669 8.489 1.00 0.00 C ATOM 661 C ALA A 50 6.186 -4.224 8.157 1.00 0.00 C ATOM 662 O ALA A 50 5.415 -3.304 8.435 1.00 0.00 O ATOM 663 CB ALA A 50 6.498 -6.093 9.789 1.00 0.00 C ATOM 0 H ALA A 50 6.934 -7.244 7.657 1.00 0.00 H new ATOM 0 HA ALA A 50 4.749 -5.730 8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.202 -5.414 10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.190 -7.107 10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.581 -6.062 9.669 1.00 0.00 H new ATOM 669 N HIS A 51 7.359 -4.029 7.561 1.00 0.00 N ATOM 670 CA HIS A 51 7.869 -2.689 7.296 1.00 0.00 C ATOM 671 C HIS A 51 7.037 -1.992 6.226 1.00 0.00 C ATOM 672 O HIS A 51 6.713 -0.811 6.350 1.00 0.00 O ATOM 673 CB HIS A 51 9.339 -2.743 6.868 1.00 0.00 C ATOM 674 CG HIS A 51 10.269 -3.171 7.961 1.00 0.00 C ATOM 675 ND1 HIS A 51 11.568 -3.565 7.720 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.088 -3.268 9.299 1.00 0.00 C ATOM 677 CE1 HIS A 51 12.148 -3.885 8.863 1.00 0.00 C ATOM 678 NE2 HIS A 51 11.270 -3.714 9.836 1.00 0.00 N ATOM 0 H HIS A 51 7.974 -4.782 7.253 1.00 0.00 H new ATOM 0 HA HIS A 51 7.795 -2.115 8.220 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.439 -3.431 6.028 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.641 -1.758 6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.183 -3.038 9.842 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.165 -4.228 8.982 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.443 -3.886 10.826 1.00 0.00 H new ATOM 685 N ILE A 52 6.695 -2.729 5.175 1.00 0.00 N ATOM 686 CA ILE A 52 5.877 -2.189 4.096 1.00 0.00 C ATOM 687 C ILE A 52 4.447 -1.938 4.564 1.00 0.00 C ATOM 688 O ILE A 52 3.777 -1.026 4.081 1.00 0.00 O ATOM 689 CB ILE A 52 5.852 -3.133 2.880 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.187 -2.446 1.684 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.129 -4.426 3.225 1.00 0.00 C ATOM 692 CD1 ILE A 52 5.949 -1.247 1.168 1.00 0.00 C ATOM 0 H ILE A 52 6.972 -3.702 5.048 1.00 0.00 H new ATOM 0 HA ILE A 52 6.330 -1.243 3.799 1.00 0.00 H new ATOM 0 HB ILE A 52 6.879 -3.376 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.077 -3.170 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.183 -2.131 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.121 -5.082 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.644 -4.922 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.104 -4.202 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.416 -0.814 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.037 -0.503 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.944 -1.558 0.850 1.00 0.00 H new ATOM 704 N ALA A 53 3.988 -2.751 5.509 1.00 0.00 N ATOM 705 CA ALA A 53 2.686 -2.544 6.128 1.00 0.00 C ATOM 706 C ALA A 53 2.657 -1.244 6.926 1.00 0.00 C ATOM 707 O ALA A 53 1.660 -0.524 6.918 1.00 0.00 O ATOM 708 CB ALA A 53 2.332 -3.723 7.024 1.00 0.00 C ATOM 0 H ALA A 53 4.499 -3.560 5.863 1.00 0.00 H new ATOM 0 HA ALA A 53 1.943 -2.470 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.356 -3.554 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.301 -4.636 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.085 -3.825 7.806 1.00 0.00 H new ATOM 714 N GLU A 54 3.756 -0.953 7.613 1.00 0.00 N ATOM 715 CA GLU A 54 3.895 0.308 8.333 1.00 0.00 C ATOM 716 C GLU A 54 3.908 1.488 7.365 1.00 0.00 C ATOM 717 O GLU A 54 3.365 2.553 7.661 1.00 0.00 O ATOM 718 CB GLU A 54 5.169 0.306 9.181 1.00 0.00 C ATOM 719 CG GLU A 54 5.112 -0.605 10.398 1.00 0.00 C ATOM 720 CD GLU A 54 6.437 -0.651 11.108 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.369 -0.056 10.624 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.490 -1.187 12.191 1.00 0.00 O ATOM 0 H GLU A 54 4.563 -1.572 7.687 1.00 0.00 H new ATOM 0 HA GLU A 54 3.035 0.415 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.008 0.003 8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.371 1.324 9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.342 -0.252 11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.827 -1.611 10.089 1.00 0.00 H new ATOM 729 N ILE A 55 4.532 1.291 6.208 1.00 0.00 N ATOM 730 CA ILE A 55 4.540 2.305 5.162 1.00 0.00 C ATOM 731 C ILE A 55 3.136 2.550 4.622 1.00 0.00 C ATOM 732 O ILE A 55 2.751 3.689 4.357 1.00 0.00 O ATOM 733 CB ILE A 55 5.467 1.909 3.999 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.930 1.941 4.448 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.251 2.831 2.809 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.886 1.315 3.458 1.00 0.00 C ATOM 0 H ILE A 55 5.039 0.438 5.972 1.00 0.00 H new ATOM 0 HA ILE A 55 4.915 3.222 5.616 1.00 0.00 H new ATOM 0 HB ILE A 55 5.224 0.892 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.225 2.976 4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.019 1.422 5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.914 2.537 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.215 2.759 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.468 3.859 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.903 1.376 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.618 0.270 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.827 1.848 2.509 1.00 0.00 H new ATOM 748 N ILE A 56 2.374 1.472 4.461 1.00 0.00 N ATOM 749 CA ILE A 56 0.991 1.576 4.014 1.00 0.00 C ATOM 750 C ILE A 56 0.140 2.340 5.023 1.00 0.00 C ATOM 751 O ILE A 56 -0.652 3.206 4.655 1.00 0.00 O ATOM 752 CB ILE A 56 0.368 0.188 3.778 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.008 -0.484 2.561 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.138 0.304 3.597 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.666 -1.951 2.422 1.00 0.00 C ATOM 0 H ILE A 56 2.691 0.518 4.633 1.00 0.00 H new ATOM 0 HA ILE A 56 1.007 2.122 3.071 1.00 0.00 H new ATOM 0 HB ILE A 56 0.560 -0.432 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.691 0.040 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.091 -0.378 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.562 -0.686 3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.579 0.742 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.353 0.939 2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.156 -2.357 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.008 -2.490 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.413 -2.065 2.323 1.00 0.00 H new ATOM 767 N THR A 57 0.313 2.014 6.302 1.00 0.00 N ATOM 768 CA THR A 57 -0.414 2.690 7.368 1.00 0.00 C ATOM 769 C THR A 57 0.086 4.118 7.554 1.00 0.00 C ATOM 770 O THR A 57 -0.643 4.983 8.040 1.00 0.00 O ATOM 771 CB THR A 57 -0.290 1.934 8.704 1.00 0.00 C ATOM 772 OG1 THR A 57 1.092 1.819 9.065 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.898 0.544 8.589 1.00 0.00 C ATOM 0 H THR A 57 0.951 1.286 6.623 1.00 0.00 H new ATOM 0 HA THR A 57 -1.462 2.711 7.070 1.00 0.00 H new ATOM 0 HB THR A 57 -0.827 2.492 9.471 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.650 2.173 8.341 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.801 0.025 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.953 0.629 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.376 -0.018 7.815 1.00 0.00 H new ATOM 781 N ALA A 58 1.334 4.358 7.165 1.00 0.00 N ATOM 782 CA ALA A 58 1.911 5.695 7.230 1.00 0.00 C ATOM 783 C ALA A 58 1.191 6.650 6.283 1.00 0.00 C ATOM 784 O ALA A 58 1.282 7.869 6.427 1.00 0.00 O ATOM 785 CB ALA A 58 3.396 5.646 6.907 1.00 0.00 C ATOM 0 H ALA A 58 1.965 3.644 6.801 1.00 0.00 H new ATOM 0 HA ALA A 58 1.785 6.069 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.813 6.652 6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.904 5.004 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.537 5.247 5.903 1.00 0.00 H new ATOM 791 N ALA A 59 0.477 6.088 5.314 1.00 0.00 N ATOM 792 CA ALA A 59 -0.287 6.887 4.364 1.00 0.00 C ATOM 793 C ALA A 59 -1.597 7.367 4.980 1.00 0.00 C ATOM 794 O ALA A 59 -2.346 8.120 4.359 1.00 0.00 O ATOM 795 CB ALA A 59 -0.556 6.089 3.098 1.00 0.00 C ATOM 0 H ALA A 59 0.412 5.081 5.166 1.00 0.00 H new ATOM 0 HA ALA A 59 0.305 7.765 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.127 6.699 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.391 5.802 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.125 5.193 3.347 1.00 0.00 H new ATOM 801 N GLY A 60 -1.867 6.925 6.204 1.00 0.00 N ATOM 802 CA GLY A 60 -3.082 7.331 6.888 1.00 0.00 C ATOM 803 C GLY A 60 -4.226 6.363 6.663 1.00 0.00 C ATOM 804 O GLY A 60 -5.353 6.613 7.091 1.00 0.00 O ATOM 0 H GLY A 60 -1.267 6.293 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.884 7.412 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.376 8.322 6.542 1.00 0.00 H new ATOM 808 N TYR A 61 -3.937 5.256 5.987 1.00 0.00 N ATOM 809 CA TYR A 61 -4.945 4.234 5.728 1.00 0.00 C ATOM 810 C TYR A 61 -4.549 2.906 6.364 1.00 0.00 C ATOM 811 O TYR A 61 -3.517 2.324 6.025 1.00 0.00 O ATOM 812 CB TYR A 61 -5.155 4.057 4.222 1.00 0.00 C ATOM 813 CG TYR A 61 -5.618 5.312 3.516 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.968 5.603 3.395 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.703 6.201 2.970 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.397 6.747 2.750 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.120 7.349 2.324 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.469 7.617 2.216 1.00 0.00 C ATOM 819 OH TYR A 61 -6.891 8.758 1.572 1.00 0.00 O ATOM 0 H TYR A 61 -3.014 5.044 5.609 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.882 4.563 6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.220 3.722 3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.889 3.268 4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.697 4.924 3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.647 5.992 3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.453 6.959 2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.395 8.032 1.906 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.666 8.549 1.010 1.00 0.00 H new ATOM 829 N THR A 62 -5.377 2.429 7.288 1.00 0.00 N ATOM 830 CA THR A 62 -5.068 1.220 8.041 1.00 0.00 C ATOM 831 C THR A 62 -6.334 0.431 8.356 1.00 0.00 C ATOM 832 O THR A 62 -7.391 0.995 8.642 1.00 0.00 O ATOM 833 CB THR A 62 -4.336 1.545 9.356 1.00 0.00 C ATOM 834 OG1 THR A 62 -4.055 0.331 10.063 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.188 2.451 10.232 1.00 0.00 C ATOM 0 H THR A 62 -6.267 2.862 7.533 1.00 0.00 H new ATOM 0 HA THR A 62 -4.413 0.616 7.413 1.00 0.00 H new ATOM 0 HB THR A 62 -3.405 2.059 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.588 0.540 10.899 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.654 2.670 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.393 3.381 9.702 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.128 1.952 10.465 1.00 0.00 H new ATOM 843 N PRO A 63 -6.227 -0.905 8.306 1.00 0.00 N ATOM 844 CA PRO A 63 -7.317 -1.801 8.699 1.00 0.00 C ATOM 845 C PRO A 63 -7.602 -1.746 10.197 1.00 0.00 C ATOM 846 O PRO A 63 -8.650 -2.197 10.655 1.00 0.00 O ATOM 847 CB PRO A 63 -6.832 -3.187 8.262 1.00 0.00 C ATOM 848 CG PRO A 63 -5.345 -3.092 8.312 1.00 0.00 C ATOM 849 CD PRO A 63 -5.020 -1.686 7.879 1.00 0.00 C ATOM 0 HA PRO A 63 -8.263 -1.523 8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.203 -3.966 8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.181 -3.432 7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.972 -3.290 9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.882 -3.824 7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.113 -1.317 8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.861 -1.623 6.803 1.00 0.00 H new ATOM 857 N GLU A 64 -6.659 -1.193 10.953 1.00 0.00 N ATOM 858 CA GLU A 64 -6.812 -1.076 12.399 1.00 0.00 C ATOM 859 C GLU A 64 -7.884 -0.050 12.752 1.00 0.00 C ATOM 860 O GLU A 64 -8.859 -0.366 13.433 1.00 0.00 O ATOM 861 CB GLU A 64 -5.480 -0.697 13.050 1.00 0.00 C ATOM 862 CG GLU A 64 -5.514 -0.653 14.571 1.00 0.00 C ATOM 863 CD GLU A 64 -4.161 -0.327 15.139 1.00 0.00 C ATOM 864 OE1 GLU A 64 -3.243 -0.153 14.374 1.00 0.00 O ATOM 865 OE2 GLU A 64 -4.067 -0.140 16.329 1.00 0.00 O ATOM 866 OXT GLU A 64 -7.781 1.082 12.365 1.00 0.00 O ATOM 0 H GLU A 64 -5.782 -0.819 10.589 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.127 -2.046 12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.720 -1.412 12.736 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.172 0.280 12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.238 0.093 14.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.851 -1.615 14.957 1.00 0.00 H new TER 873 GLU A 64