USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ 179:sc= 0.503 (180deg=0.483) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= -0.0172 (180deg=-0.176) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.85 K(o=-1.9,f=-0.045) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 77:sc= 1.13 USER MOD Single : A 38 SER OG : rot 75:sc= 0.557 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0182) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 83:sc= 0.426 USER MOD Single : A 55 GLN : amide:sc= -0.0619 X(o=-0.062,f=-0.073) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 34:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -3.689 -33.775 7.782 1.00 71.30 N ATOM 2 CA PHE A 1 -3.766 -35.259 7.797 1.00 62.13 C ATOM 3 C PHE A 1 -3.336 -35.839 6.424 1.00 33.45 C ATOM 4 O PHE A 1 -2.396 -36.641 6.334 1.00 53.21 O ATOM 5 CB PHE A 1 -5.208 -35.709 8.156 1.00 4.31 C ATOM 6 CG PHE A 1 -5.739 -35.105 9.460 1.00 71.41 C ATOM 7 CD1 PHE A 1 -5.339 -35.610 10.700 1.00 64.12 C ATOM 8 CD2 PHE A 1 -6.630 -34.025 9.450 1.00 51.01 C ATOM 9 CE1 PHE A 1 -5.813 -35.066 11.878 1.00 53.21 C ATOM 10 CE2 PHE A 1 -7.103 -33.483 10.630 1.00 11.31 C ATOM 11 CZ PHE A 1 -6.696 -34.002 11.843 1.00 21.03 C ATOM 0 H1 PHE A 1 -3.996 -33.402 8.703 1.00 71.30 H new ATOM 0 H2 PHE A 1 -2.709 -33.480 7.599 1.00 71.30 H new ATOM 0 H3 PHE A 1 -4.308 -33.403 7.034 1.00 71.30 H new ATOM 0 HA PHE A 1 -3.082 -35.641 8.555 1.00 62.13 H new ATOM 0 HB2 PHE A 1 -5.877 -35.435 7.341 1.00 4.31 H new ATOM 0 HB3 PHE A 1 -5.230 -36.796 8.235 1.00 4.31 H new ATOM 0 HD1 PHE A 1 -4.648 -36.439 10.738 1.00 64.12 H new ATOM 0 HD2 PHE A 1 -6.952 -33.610 8.507 1.00 51.01 H new ATOM 0 HE1 PHE A 1 -5.494 -35.472 12.827 1.00 53.21 H new ATOM 0 HE2 PHE A 1 -7.792 -32.652 10.603 1.00 11.31 H new ATOM 0 HZ PHE A 1 -7.067 -33.577 12.764 1.00 21.03 H new ATOM 23 N THR A 2 -4.031 -35.408 5.355 1.00 11.11 N ATOM 24 CA THR A 2 -3.772 -35.853 3.965 1.00 35.04 C ATOM 25 C THR A 2 -2.779 -34.912 3.251 1.00 23.04 C ATOM 26 O THR A 2 -2.840 -33.695 3.416 1.00 4.52 O ATOM 27 CB THR A 2 -5.113 -35.915 3.159 1.00 22.43 C ATOM 28 OG1 THR A 2 -6.081 -36.659 3.914 1.00 73.34 O ATOM 29 CG2 THR A 2 -4.947 -36.583 1.782 1.00 54.40 C ATOM 0 H THR A 2 -4.795 -34.736 5.428 1.00 11.11 H new ATOM 0 HA THR A 2 -3.329 -36.848 4.010 1.00 35.04 H new ATOM 0 HB THR A 2 -5.439 -34.888 2.994 1.00 22.43 H new ATOM 0 HG1 THR A 2 -6.924 -36.700 3.415 1.00 73.34 H new ATOM 0 HG21 THR A 2 -5.908 -36.599 1.267 1.00 54.40 H new ATOM 0 HG22 THR A 2 -4.227 -36.020 1.189 1.00 54.40 H new ATOM 0 HG23 THR A 2 -4.589 -37.604 1.914 1.00 54.40 H new ATOM 37 N LEU A 3 -1.884 -35.496 2.430 1.00 73.43 N ATOM 38 CA LEU A 3 -0.867 -34.746 1.640 1.00 10.44 C ATOM 39 C LEU A 3 -1.526 -33.820 0.574 1.00 62.24 C ATOM 40 O LEU A 3 -0.896 -32.887 0.060 1.00 20.22 O ATOM 41 CB LEU A 3 0.146 -35.727 0.964 1.00 54.23 C ATOM 42 CG LEU A 3 1.064 -36.585 1.915 1.00 73.04 C ATOM 43 CD1 LEU A 3 1.812 -35.702 2.940 1.00 20.33 C ATOM 44 CD2 LEU A 3 0.289 -37.740 2.610 1.00 64.34 C ATOM 0 H LEU A 3 -1.840 -36.505 2.290 1.00 73.43 H new ATOM 0 HA LEU A 3 -0.323 -34.108 2.337 1.00 10.44 H new ATOM 0 HB2 LEU A 3 -0.419 -36.412 0.332 1.00 54.23 H new ATOM 0 HB3 LEU A 3 0.792 -35.145 0.306 1.00 54.23 H new ATOM 0 HG LEU A 3 1.814 -37.054 1.278 1.00 73.04 H new ATOM 0 HD11 LEU A 3 2.434 -36.331 3.577 1.00 20.33 H new ATOM 0 HD12 LEU A 3 2.441 -34.985 2.412 1.00 20.33 H new ATOM 0 HD13 LEU A 3 1.089 -35.166 3.555 1.00 20.33 H new ATOM 0 HD21 LEU A 3 0.969 -38.299 3.253 1.00 64.34 H new ATOM 0 HD22 LEU A 3 -0.520 -37.325 3.211 1.00 64.34 H new ATOM 0 HD23 LEU A 3 -0.125 -38.407 1.854 1.00 64.34 H new ATOM 56 N ILE A 4 -2.803 -34.101 0.262 1.00 44.24 N ATOM 57 CA ILE A 4 -3.627 -33.271 -0.652 1.00 72.22 C ATOM 58 C ILE A 4 -3.989 -31.930 0.023 1.00 61.43 C ATOM 59 O ILE A 4 -3.954 -30.881 -0.622 1.00 4.10 O ATOM 60 CB ILE A 4 -4.936 -34.032 -1.103 1.00 55.21 C ATOM 61 CG1 ILE A 4 -4.568 -35.376 -1.821 1.00 12.24 C ATOM 62 CG2 ILE A 4 -5.848 -33.152 -2.005 1.00 15.53 C ATOM 63 CD1 ILE A 4 -3.679 -35.230 -3.053 1.00 44.51 C ATOM 0 H ILE A 4 -3.299 -34.911 0.634 1.00 44.24 H new ATOM 0 HA ILE A 4 -3.036 -33.070 -1.545 1.00 72.22 H new ATOM 0 HB ILE A 4 -5.507 -34.259 -0.203 1.00 55.21 H new ATOM 0 HG12 ILE A 4 -4.066 -36.027 -1.105 1.00 12.24 H new ATOM 0 HG13 ILE A 4 -5.490 -35.877 -2.115 1.00 12.24 H new ATOM 0 HG21 ILE A 4 -6.735 -33.719 -2.289 1.00 15.53 H new ATOM 0 HG22 ILE A 4 -6.148 -32.259 -1.457 1.00 15.53 H new ATOM 0 HG23 ILE A 4 -5.301 -32.861 -2.902 1.00 15.53 H new ATOM 0 HD11 ILE A 4 -3.481 -36.214 -3.478 1.00 44.51 H new ATOM 0 HD12 ILE A 4 -4.183 -34.610 -3.794 1.00 44.51 H new ATOM 0 HD13 ILE A 4 -2.737 -34.762 -2.768 1.00 44.51 H new ATOM 75 N GLU A 5 -4.302 -31.983 1.340 1.00 65.23 N ATOM 76 CA GLU A 5 -4.581 -30.774 2.155 1.00 14.22 C ATOM 77 C GLU A 5 -3.423 -29.762 2.074 1.00 62.34 C ATOM 78 O GLU A 5 -3.656 -28.587 1.824 1.00 52.53 O ATOM 79 CB GLU A 5 -4.827 -31.127 3.646 1.00 33.12 C ATOM 80 CG GLU A 5 -6.069 -31.991 3.926 1.00 33.32 C ATOM 81 CD GLU A 5 -6.330 -32.178 5.436 1.00 21.11 C ATOM 82 OE1 GLU A 5 -6.783 -31.218 6.089 1.00 13.24 O ATOM 83 OE2 GLU A 5 -6.064 -33.268 5.978 1.00 24.12 O ATOM 0 H GLU A 5 -4.368 -32.856 1.864 1.00 65.23 H new ATOM 0 HA GLU A 5 -5.485 -30.329 1.739 1.00 14.22 H new ATOM 0 HB2 GLU A 5 -3.949 -31.649 4.027 1.00 33.12 H new ATOM 0 HB3 GLU A 5 -4.916 -30.199 4.211 1.00 33.12 H new ATOM 0 HG2 GLU A 5 -6.941 -31.528 3.464 1.00 33.32 H new ATOM 0 HG3 GLU A 5 -5.941 -32.967 3.459 1.00 33.32 H new ATOM 90 N LEU A 6 -2.173 -30.255 2.265 1.00 34.33 N ATOM 91 CA LEU A 6 -0.952 -29.405 2.233 1.00 22.54 C ATOM 92 C LEU A 6 -0.790 -28.731 0.850 1.00 14.54 C ATOM 93 O LEU A 6 -0.369 -27.581 0.765 1.00 73.50 O ATOM 94 CB LEU A 6 0.327 -30.237 2.652 1.00 3.20 C ATOM 95 CG LEU A 6 1.273 -30.829 1.523 1.00 22.43 C ATOM 96 CD1 LEU A 6 2.324 -29.804 1.003 1.00 13.01 C ATOM 97 CD2 LEU A 6 1.977 -32.117 1.996 1.00 4.04 C ATOM 0 H LEU A 6 -1.982 -31.241 2.444 1.00 34.33 H new ATOM 0 HA LEU A 6 -1.064 -28.607 2.967 1.00 22.54 H new ATOM 0 HB2 LEU A 6 0.938 -29.599 3.290 1.00 3.20 H new ATOM 0 HB3 LEU A 6 -0.012 -31.071 3.266 1.00 3.20 H new ATOM 0 HG LEU A 6 0.618 -31.069 0.686 1.00 22.43 H new ATOM 0 HD11 LEU A 6 2.938 -30.272 0.234 1.00 13.01 H new ATOM 0 HD12 LEU A 6 1.811 -28.939 0.582 1.00 13.01 H new ATOM 0 HD13 LEU A 6 2.959 -29.483 1.829 1.00 13.01 H new ATOM 0 HD21 LEU A 6 2.617 -32.496 1.199 1.00 4.04 H new ATOM 0 HD22 LEU A 6 2.583 -31.898 2.875 1.00 4.04 H new ATOM 0 HD23 LEU A 6 1.229 -32.869 2.249 1.00 4.04 H new ATOM 109 N LEU A 7 -1.140 -29.470 -0.224 1.00 22.12 N ATOM 110 CA LEU A 7 -1.053 -28.981 -1.607 1.00 73.21 C ATOM 111 C LEU A 7 -2.085 -27.860 -1.899 1.00 55.54 C ATOM 112 O LEU A 7 -1.809 -26.944 -2.683 1.00 65.51 O ATOM 113 CB LEU A 7 -1.238 -30.173 -2.574 1.00 34.13 C ATOM 114 CG LEU A 7 -1.009 -29.885 -4.090 1.00 61.11 C ATOM 115 CD1 LEU A 7 0.411 -29.326 -4.344 1.00 1.12 C ATOM 116 CD2 LEU A 7 -1.277 -31.154 -4.931 1.00 73.30 C ATOM 0 H LEU A 7 -1.491 -30.425 -0.151 1.00 22.12 H new ATOM 0 HA LEU A 7 -0.069 -28.537 -1.756 1.00 73.21 H new ATOM 0 HB2 LEU A 7 -0.555 -30.967 -2.271 1.00 34.13 H new ATOM 0 HB3 LEU A 7 -2.250 -30.559 -2.450 1.00 34.13 H new ATOM 0 HG LEU A 7 -1.719 -29.120 -4.403 1.00 61.11 H new ATOM 0 HD11 LEU A 7 0.542 -29.135 -5.409 1.00 1.12 H new ATOM 0 HD12 LEU A 7 0.541 -28.396 -3.790 1.00 1.12 H new ATOM 0 HD13 LEU A 7 1.153 -30.052 -4.012 1.00 1.12 H new ATOM 0 HD21 LEU A 7 -1.112 -30.933 -5.986 1.00 73.30 H new ATOM 0 HD22 LEU A 7 -0.600 -31.949 -4.616 1.00 73.30 H new ATOM 0 HD23 LEU A 7 -2.308 -31.476 -4.785 1.00 73.30 H new ATOM 128 N ILE A 8 -3.270 -27.948 -1.271 1.00 24.51 N ATOM 129 CA ILE A 8 -4.309 -26.921 -1.365 1.00 14.01 C ATOM 130 C ILE A 8 -3.926 -25.673 -0.545 1.00 31.44 C ATOM 131 O ILE A 8 -4.054 -24.551 -1.033 1.00 34.30 O ATOM 132 CB ILE A 8 -5.671 -27.513 -0.858 1.00 63.10 C ATOM 133 CG1 ILE A 8 -6.107 -28.731 -1.739 1.00 42.10 C ATOM 134 CG2 ILE A 8 -6.777 -26.437 -0.806 1.00 61.32 C ATOM 135 CD1 ILE A 8 -7.273 -29.533 -1.189 1.00 72.05 C ATOM 0 H ILE A 8 -3.530 -28.739 -0.682 1.00 24.51 H new ATOM 0 HA ILE A 8 -4.411 -26.616 -2.406 1.00 14.01 H new ATOM 0 HB ILE A 8 -5.519 -27.867 0.162 1.00 63.10 H new ATOM 0 HG12 ILE A 8 -6.372 -28.367 -2.732 1.00 42.10 H new ATOM 0 HG13 ILE A 8 -5.253 -29.397 -1.861 1.00 42.10 H new ATOM 0 HG21 ILE A 8 -7.705 -26.886 -0.450 1.00 61.32 H new ATOM 0 HG22 ILE A 8 -6.476 -25.639 -0.127 1.00 61.32 H new ATOM 0 HG23 ILE A 8 -6.932 -26.026 -1.804 1.00 61.32 H new ATOM 0 HD11 ILE A 8 -7.502 -30.355 -1.868 1.00 72.05 H new ATOM 0 HD12 ILE A 8 -7.010 -29.933 -0.210 1.00 72.05 H new ATOM 0 HD13 ILE A 8 -8.146 -28.887 -1.094 1.00 72.05 H new ATOM 147 N VAL A 9 -3.448 -25.892 0.699 1.00 22.41 N ATOM 148 CA VAL A 9 -3.027 -24.820 1.608 1.00 34.52 C ATOM 149 C VAL A 9 -1.840 -24.014 1.028 1.00 24.23 C ATOM 150 O VAL A 9 -1.842 -22.787 1.090 1.00 1.34 O ATOM 151 CB VAL A 9 -2.687 -25.409 3.033 1.00 32.25 C ATOM 152 CG1 VAL A 9 -2.078 -24.346 3.970 1.00 51.32 C ATOM 153 CG2 VAL A 9 -3.948 -26.043 3.676 1.00 32.32 C ATOM 0 H VAL A 9 -3.345 -26.826 1.097 1.00 22.41 H new ATOM 0 HA VAL A 9 -3.858 -24.123 1.718 1.00 34.52 H new ATOM 0 HB VAL A 9 -1.935 -26.185 2.891 1.00 32.25 H new ATOM 0 HG11 VAL A 9 -1.860 -24.796 4.938 1.00 51.32 H new ATOM 0 HG12 VAL A 9 -1.156 -23.961 3.533 1.00 51.32 H new ATOM 0 HG13 VAL A 9 -2.786 -23.528 4.101 1.00 51.32 H new ATOM 0 HG21 VAL A 9 -3.694 -26.443 4.657 1.00 32.32 H new ATOM 0 HG22 VAL A 9 -4.723 -25.284 3.783 1.00 32.32 H new ATOM 0 HG23 VAL A 9 -4.315 -26.848 3.040 1.00 32.32 H new ATOM 163 N VAL A 10 -0.841 -24.702 0.440 1.00 70.42 N ATOM 164 CA VAL A 10 0.303 -24.034 -0.193 1.00 11.13 C ATOM 165 C VAL A 10 -0.120 -23.280 -1.483 1.00 14.22 C ATOM 166 O VAL A 10 0.455 -22.237 -1.807 1.00 74.14 O ATOM 167 CB VAL A 10 1.475 -25.053 -0.491 1.00 22.11 C ATOM 168 CG1 VAL A 10 1.184 -25.973 -1.699 1.00 65.23 C ATOM 169 CG2 VAL A 10 2.815 -24.313 -0.649 1.00 71.35 C ATOM 0 H VAL A 10 -0.808 -25.720 0.393 1.00 70.42 H new ATOM 0 HA VAL A 10 0.677 -23.295 0.515 1.00 11.13 H new ATOM 0 HB VAL A 10 1.548 -25.712 0.374 1.00 22.11 H new ATOM 0 HG11 VAL A 10 2.025 -26.649 -1.852 1.00 65.23 H new ATOM 0 HG12 VAL A 10 0.282 -26.554 -1.505 1.00 65.23 H new ATOM 0 HG13 VAL A 10 1.039 -25.366 -2.592 1.00 65.23 H new ATOM 0 HG21 VAL A 10 3.607 -25.034 -0.853 1.00 71.35 H new ATOM 0 HG22 VAL A 10 2.745 -23.606 -1.476 1.00 71.35 H new ATOM 0 HG23 VAL A 10 3.044 -23.774 0.270 1.00 71.35 H new ATOM 179 N ALA A 11 -1.151 -23.806 -2.199 1.00 73.10 N ATOM 180 CA ALA A 11 -1.675 -23.175 -3.431 1.00 24.12 C ATOM 181 C ALA A 11 -2.400 -21.850 -3.121 1.00 23.24 C ATOM 182 O ALA A 11 -2.064 -20.808 -3.693 1.00 4.12 O ATOM 183 CB ALA A 11 -2.617 -24.140 -4.171 1.00 63.42 C ATOM 0 H ALA A 11 -1.633 -24.667 -1.939 1.00 73.10 H new ATOM 0 HA ALA A 11 -0.825 -22.948 -4.075 1.00 24.12 H new ATOM 0 HB1 ALA A 11 -2.993 -23.660 -5.074 1.00 63.42 H new ATOM 0 HB2 ALA A 11 -2.072 -25.045 -4.441 1.00 63.42 H new ATOM 0 HB3 ALA A 11 -3.454 -24.400 -3.523 1.00 63.42 H new ATOM 189 N ILE A 12 -3.379 -21.910 -2.189 1.00 52.23 N ATOM 190 CA ILE A 12 -4.195 -20.749 -1.798 1.00 53.43 C ATOM 191 C ILE A 12 -3.340 -19.656 -1.108 1.00 32.43 C ATOM 192 O ILE A 12 -3.445 -18.498 -1.479 1.00 11.22 O ATOM 193 CB ILE A 12 -5.433 -21.166 -0.910 1.00 60.54 C ATOM 194 CG1 ILE A 12 -4.992 -21.823 0.436 1.00 63.25 C ATOM 195 CG2 ILE A 12 -6.379 -22.105 -1.706 1.00 42.23 C ATOM 196 CD1 ILE A 12 -6.121 -22.258 1.353 1.00 2.43 C ATOM 0 H ILE A 12 -3.621 -22.766 -1.690 1.00 52.23 H new ATOM 0 HA ILE A 12 -4.594 -20.319 -2.717 1.00 53.43 H new ATOM 0 HB ILE A 12 -5.978 -20.257 -0.656 1.00 60.54 H new ATOM 0 HG12 ILE A 12 -4.375 -22.693 0.210 1.00 63.25 H new ATOM 0 HG13 ILE A 12 -4.361 -21.116 0.975 1.00 63.25 H new ATOM 0 HG21 ILE A 12 -7.227 -22.383 -1.080 1.00 42.23 H new ATOM 0 HG22 ILE A 12 -6.739 -21.589 -2.596 1.00 42.23 H new ATOM 0 HG23 ILE A 12 -5.836 -23.003 -2.001 1.00 42.23 H new ATOM 0 HD11 ILE A 12 -5.705 -22.701 2.258 1.00 2.43 H new ATOM 0 HD12 ILE A 12 -6.728 -21.392 1.619 1.00 2.43 H new ATOM 0 HD13 ILE A 12 -6.742 -22.994 0.842 1.00 2.43 H new ATOM 208 N ILE A 13 -2.450 -20.052 -0.149 1.00 5.13 N ATOM 209 CA ILE A 13 -1.479 -19.133 0.508 1.00 20.40 C ATOM 210 C ILE A 13 -0.499 -18.541 -0.539 1.00 55.53 C ATOM 211 O ILE A 13 -0.071 -17.386 -0.411 1.00 72.02 O ATOM 212 CB ILE A 13 -0.701 -19.872 1.699 1.00 74.40 C ATOM 213 CG1 ILE A 13 -1.484 -19.773 3.060 1.00 12.10 C ATOM 214 CG2 ILE A 13 0.760 -19.384 1.882 1.00 31.12 C ATOM 215 CD1 ILE A 13 -2.856 -20.423 3.080 1.00 52.31 C ATOM 0 H ILE A 13 -2.389 -21.013 0.186 1.00 5.13 H new ATOM 0 HA ILE A 13 -2.032 -18.305 0.951 1.00 20.40 H new ATOM 0 HB ILE A 13 -0.650 -20.919 1.399 1.00 74.40 H new ATOM 0 HG12 ILE A 13 -0.876 -20.228 3.842 1.00 12.10 H new ATOM 0 HG13 ILE A 13 -1.598 -18.720 3.317 1.00 12.10 H new ATOM 0 HG21 ILE A 13 1.225 -19.927 2.705 1.00 31.12 H new ATOM 0 HG22 ILE A 13 1.321 -19.564 0.965 1.00 31.12 H new ATOM 0 HG23 ILE A 13 0.762 -18.317 2.105 1.00 31.12 H new ATOM 0 HD11 ILE A 13 -3.305 -20.295 4.065 1.00 52.31 H new ATOM 0 HD12 ILE A 13 -3.491 -19.955 2.328 1.00 52.31 H new ATOM 0 HD13 ILE A 13 -2.758 -21.486 2.861 1.00 52.31 H new ATOM 227 N GLY A 14 -0.179 -19.346 -1.581 1.00 32.33 N ATOM 228 CA GLY A 14 0.633 -18.889 -2.715 1.00 14.23 C ATOM 229 C GLY A 14 0.008 -17.694 -3.444 1.00 21.54 C ATOM 230 O GLY A 14 0.710 -16.748 -3.814 1.00 53.11 O ATOM 0 H GLY A 14 -0.477 -20.319 -1.651 1.00 32.33 H new ATOM 0 HA2 GLY A 14 1.626 -18.614 -2.359 1.00 14.23 H new ATOM 0 HA3 GLY A 14 0.763 -19.711 -3.418 1.00 14.23 H new ATOM 234 N ILE A 15 -1.331 -17.737 -3.608 1.00 54.34 N ATOM 235 CA ILE A 15 -2.125 -16.647 -4.203 1.00 22.42 C ATOM 236 C ILE A 15 -2.223 -15.446 -3.237 1.00 4.01 C ATOM 237 O ILE A 15 -1.996 -14.304 -3.641 1.00 23.51 O ATOM 238 CB ILE A 15 -3.565 -17.182 -4.549 1.00 0.32 C ATOM 239 CG1 ILE A 15 -3.478 -18.423 -5.510 1.00 71.14 C ATOM 240 CG2 ILE A 15 -4.476 -16.066 -5.142 1.00 65.23 C ATOM 241 CD1 ILE A 15 -4.631 -19.392 -5.381 1.00 11.41 C ATOM 0 H ILE A 15 -1.895 -18.539 -3.327 1.00 54.34 H new ATOM 0 HA ILE A 15 -1.631 -16.308 -5.113 1.00 22.42 H new ATOM 0 HB ILE A 15 -4.030 -17.504 -3.617 1.00 0.32 H new ATOM 0 HG12 ILE A 15 -3.431 -18.068 -6.539 1.00 71.14 H new ATOM 0 HG13 ILE A 15 -2.547 -18.955 -5.313 1.00 71.14 H new ATOM 0 HG21 ILE A 15 -5.459 -16.480 -5.366 1.00 65.23 H new ATOM 0 HG22 ILE A 15 -4.579 -15.257 -4.418 1.00 65.23 H new ATOM 0 HG23 ILE A 15 -4.028 -15.679 -6.057 1.00 65.23 H new ATOM 0 HD11 ILE A 15 -4.492 -20.218 -6.079 1.00 11.41 H new ATOM 0 HD12 ILE A 15 -4.668 -19.780 -4.363 1.00 11.41 H new ATOM 0 HD13 ILE A 15 -5.565 -18.878 -5.608 1.00 11.41 H new ATOM 253 N LEU A 16 -2.538 -15.742 -1.954 1.00 4.31 N ATOM 254 CA LEU A 16 -2.744 -14.717 -0.904 1.00 11.12 C ATOM 255 C LEU A 16 -1.487 -13.855 -0.700 1.00 45.23 C ATOM 256 O LEU A 16 -1.591 -12.659 -0.475 1.00 2.12 O ATOM 257 CB LEU A 16 -3.151 -15.361 0.460 1.00 35.25 C ATOM 258 CG LEU A 16 -4.389 -16.319 0.461 1.00 35.34 C ATOM 259 CD1 LEU A 16 -4.842 -16.685 1.896 1.00 54.54 C ATOM 260 CD2 LEU A 16 -5.544 -15.760 -0.400 1.00 63.11 C ATOM 0 H LEU A 16 -2.656 -16.698 -1.618 1.00 4.31 H new ATOM 0 HA LEU A 16 -3.558 -14.081 -1.252 1.00 11.12 H new ATOM 0 HB2 LEU A 16 -2.294 -15.917 0.839 1.00 35.25 H new ATOM 0 HB3 LEU A 16 -3.347 -14.556 1.168 1.00 35.25 H new ATOM 0 HG LEU A 16 -4.074 -17.252 -0.006 1.00 35.34 H new ATOM 0 HD11 LEU A 16 -5.703 -17.351 1.847 1.00 54.54 H new ATOM 0 HD12 LEU A 16 -4.026 -17.185 2.419 1.00 54.54 H new ATOM 0 HD13 LEU A 16 -5.115 -15.777 2.434 1.00 54.54 H new ATOM 0 HD21 LEU A 16 -6.385 -16.453 -0.374 1.00 63.11 H new ATOM 0 HD22 LEU A 16 -5.858 -14.794 -0.005 1.00 63.11 H new ATOM 0 HD23 LEU A 16 -5.205 -15.639 -1.429 1.00 63.11 H new ATOM 272 N ALA A 17 -0.307 -14.487 -0.785 1.00 42.05 N ATOM 273 CA ALA A 17 0.988 -13.796 -0.649 1.00 35.14 C ATOM 274 C ALA A 17 1.316 -13.010 -1.937 1.00 63.21 C ATOM 275 O ALA A 17 1.647 -11.822 -1.888 1.00 4.41 O ATOM 276 CB ALA A 17 2.096 -14.805 -0.323 1.00 33.02 C ATOM 0 H ALA A 17 -0.221 -15.490 -0.950 1.00 42.05 H new ATOM 0 HA ALA A 17 0.923 -13.084 0.174 1.00 35.14 H new ATOM 0 HB1 ALA A 17 3.047 -14.282 -0.225 1.00 33.02 H new ATOM 0 HB2 ALA A 17 1.863 -15.312 0.613 1.00 33.02 H new ATOM 0 HB3 ALA A 17 2.167 -15.540 -1.125 1.00 33.02 H new ATOM 282 N ALA A 18 1.166 -13.686 -3.087 1.00 42.12 N ATOM 283 CA ALA A 18 1.449 -13.109 -4.421 1.00 70.44 C ATOM 284 C ALA A 18 0.643 -11.824 -4.713 1.00 43.23 C ATOM 285 O ALA A 18 1.084 -11.000 -5.515 1.00 11.54 O ATOM 286 CB ALA A 18 1.195 -14.153 -5.524 1.00 32.44 C ATOM 0 H ALA A 18 0.844 -14.653 -3.123 1.00 42.12 H new ATOM 0 HA ALA A 18 2.502 -12.826 -4.416 1.00 70.44 H new ATOM 0 HB1 ALA A 18 1.408 -13.712 -6.498 1.00 32.44 H new ATOM 0 HB2 ALA A 18 1.844 -15.015 -5.366 1.00 32.44 H new ATOM 0 HB3 ALA A 18 0.153 -14.472 -5.490 1.00 32.44 H new ATOM 292 N ILE A 19 -0.542 -11.670 -4.086 1.00 63.13 N ATOM 293 CA ILE A 19 -1.316 -10.412 -4.155 1.00 0.31 C ATOM 294 C ILE A 19 -0.956 -9.453 -2.996 1.00 15.42 C ATOM 295 O ILE A 19 -0.832 -8.257 -3.220 1.00 33.02 O ATOM 296 CB ILE A 19 -2.874 -10.660 -4.268 1.00 23.54 C ATOM 297 CG1 ILE A 19 -3.470 -11.482 -3.065 1.00 42.23 C ATOM 298 CG2 ILE A 19 -3.210 -11.323 -5.632 1.00 12.42 C ATOM 299 CD1 ILE A 19 -3.897 -10.643 -1.873 1.00 51.25 C ATOM 0 H ILE A 19 -0.984 -12.400 -3.527 1.00 63.13 H new ATOM 0 HA ILE A 19 -1.024 -9.917 -5.081 1.00 0.31 H new ATOM 0 HB ILE A 19 -3.355 -9.683 -4.216 1.00 23.54 H new ATOM 0 HG12 ILE A 19 -4.331 -12.048 -3.421 1.00 42.23 H new ATOM 0 HG13 ILE A 19 -2.726 -12.207 -2.734 1.00 42.23 H new ATOM 0 HG21 ILE A 19 -4.285 -11.490 -5.700 1.00 12.42 H new ATOM 0 HG22 ILE A 19 -2.892 -10.668 -6.443 1.00 12.42 H new ATOM 0 HG23 ILE A 19 -2.689 -12.277 -5.711 1.00 12.42 H new ATOM 0 HD11 ILE A 19 -4.295 -11.293 -1.094 1.00 51.25 H new ATOM 0 HD12 ILE A 19 -3.037 -10.097 -1.486 1.00 51.25 H new ATOM 0 HD13 ILE A 19 -4.666 -9.936 -2.183 1.00 51.25 H new ATOM 311 N ALA A 20 -0.727 -9.999 -1.788 1.00 42.30 N ATOM 312 CA ALA A 20 -0.555 -9.195 -0.547 1.00 71.13 C ATOM 313 C ALA A 20 0.690 -8.307 -0.572 1.00 11.52 C ATOM 314 O ALA A 20 0.594 -7.121 -0.281 1.00 30.45 O ATOM 315 CB ALA A 20 -0.517 -10.097 0.700 1.00 44.42 C ATOM 0 H ALA A 20 -0.655 -11.005 -1.636 1.00 42.30 H new ATOM 0 HA ALA A 20 -1.424 -8.539 -0.499 1.00 71.13 H new ATOM 0 HB1 ALA A 20 -0.390 -9.481 1.591 1.00 44.42 H new ATOM 0 HB2 ALA A 20 -1.450 -10.655 0.774 1.00 44.42 H new ATOM 0 HB3 ALA A 20 0.317 -10.794 0.619 1.00 44.42 H new ATOM 321 N ILE A 21 1.846 -8.897 -0.905 1.00 13.12 N ATOM 322 CA ILE A 21 3.151 -8.196 -0.847 1.00 20.23 C ATOM 323 C ILE A 21 3.229 -6.996 -1.845 1.00 51.15 C ATOM 324 O ILE A 21 3.538 -5.888 -1.409 1.00 43.04 O ATOM 325 CB ILE A 21 4.382 -9.189 -1.013 1.00 30.22 C ATOM 326 CG1 ILE A 21 4.560 -10.105 0.249 1.00 71.22 C ATOM 327 CG2 ILE A 21 5.692 -8.423 -1.341 1.00 5.24 C ATOM 328 CD1 ILE A 21 3.495 -11.169 0.449 1.00 41.42 C ATOM 0 H ILE A 21 1.911 -9.865 -1.220 1.00 13.12 H new ATOM 0 HA ILE A 21 3.223 -7.774 0.155 1.00 20.23 H new ATOM 0 HB ILE A 21 4.160 -9.838 -1.860 1.00 30.22 H new ATOM 0 HG12 ILE A 21 5.530 -10.597 0.183 1.00 71.22 H new ATOM 0 HG13 ILE A 21 4.584 -9.470 1.135 1.00 71.22 H new ATOM 0 HG21 ILE A 21 6.512 -9.133 -1.447 1.00 5.24 H new ATOM 0 HG22 ILE A 21 5.567 -7.871 -2.272 1.00 5.24 H new ATOM 0 HG23 ILE A 21 5.918 -7.726 -0.534 1.00 5.24 H new ATOM 0 HD11 ILE A 21 3.718 -11.742 1.349 1.00 41.42 H new ATOM 0 HD12 ILE A 21 2.520 -10.693 0.554 1.00 41.42 H new ATOM 0 HD13 ILE A 21 3.482 -11.837 -0.412 1.00 41.42 H new ATOM 340 N PRO A 22 2.942 -7.164 -3.184 1.00 22.41 N ATOM 341 CA PRO A 22 2.904 -6.010 -4.135 1.00 34.10 C ATOM 342 C PRO A 22 1.792 -4.981 -3.809 1.00 61.11 C ATOM 343 O PRO A 22 1.980 -3.782 -4.011 1.00 3.44 O ATOM 344 CB PRO A 22 2.630 -6.667 -5.501 1.00 54.35 C ATOM 345 CG PRO A 22 1.988 -7.977 -5.165 1.00 70.03 C ATOM 346 CD PRO A 22 2.662 -8.442 -3.901 1.00 4.45 C ATOM 0 HA PRO A 22 3.832 -5.440 -4.092 1.00 34.10 H new ATOM 0 HB2 PRO A 22 1.974 -6.049 -6.114 1.00 54.35 H new ATOM 0 HB3 PRO A 22 3.552 -6.810 -6.065 1.00 54.35 H new ATOM 0 HG2 PRO A 22 0.914 -7.862 -5.018 1.00 70.03 H new ATOM 0 HG3 PRO A 22 2.124 -8.699 -5.971 1.00 70.03 H new ATOM 0 HD2 PRO A 22 2.018 -9.100 -3.318 1.00 4.45 H new ATOM 0 HD3 PRO A 22 3.577 -8.996 -4.111 1.00 4.45 H new ATOM 354 N GLN A 23 0.636 -5.477 -3.322 1.00 21.03 N ATOM 355 CA GLN A 23 -0.524 -4.621 -2.959 1.00 55.41 C ATOM 356 C GLN A 23 -0.171 -3.727 -1.761 1.00 14.33 C ATOM 357 O GLN A 23 -0.530 -2.554 -1.719 1.00 70.45 O ATOM 358 CB GLN A 23 -1.762 -5.494 -2.614 1.00 71.32 C ATOM 359 CG GLN A 23 -3.031 -4.723 -2.205 1.00 64.20 C ATOM 360 CD GLN A 23 -4.221 -5.646 -1.901 1.00 31.32 C ATOM 361 OE1 GLN A 23 -5.013 -5.974 -2.778 1.00 14.53 O ATOM 362 NE2 GLN A 23 -4.349 -6.069 -0.660 1.00 11.24 N ATOM 0 H GLN A 23 0.476 -6.473 -3.168 1.00 21.03 H new ATOM 0 HA GLN A 23 -0.765 -3.992 -3.816 1.00 55.41 H new ATOM 0 HB2 GLN A 23 -1.999 -6.114 -3.479 1.00 71.32 H new ATOM 0 HB3 GLN A 23 -1.492 -6.169 -1.802 1.00 71.32 H new ATOM 0 HG2 GLN A 23 -2.814 -4.117 -1.325 1.00 64.20 H new ATOM 0 HG3 GLN A 23 -3.306 -4.036 -3.005 1.00 64.20 H new ATOM 0 HE21 GLN A 23 -3.675 -5.780 0.049 1.00 11.24 H new ATOM 0 HE22 GLN A 23 -5.122 -6.685 -0.408 1.00 11.24 H new ATOM 371 N PHE A 24 0.578 -4.319 -0.821 1.00 21.24 N ATOM 372 CA PHE A 24 0.962 -3.658 0.455 1.00 64.23 C ATOM 373 C PHE A 24 2.141 -2.702 0.236 1.00 52.03 C ATOM 374 O PHE A 24 2.196 -1.628 0.842 1.00 60.50 O ATOM 375 CB PHE A 24 1.319 -4.700 1.534 1.00 3.04 C ATOM 376 CG PHE A 24 1.670 -4.106 2.908 1.00 53.24 C ATOM 377 CD1 PHE A 24 0.680 -3.532 3.712 1.00 51.55 C ATOM 378 CD2 PHE A 24 2.984 -4.110 3.387 1.00 13.03 C ATOM 379 CE1 PHE A 24 0.996 -2.987 4.948 1.00 51.12 C ATOM 380 CE2 PHE A 24 3.294 -3.563 4.617 1.00 12.15 C ATOM 381 CZ PHE A 24 2.302 -3.004 5.397 1.00 71.13 C ATOM 0 H PHE A 24 0.939 -5.268 -0.914 1.00 21.24 H new ATOM 0 HA PHE A 24 0.104 -3.083 0.803 1.00 64.23 H new ATOM 0 HB2 PHE A 24 0.478 -5.383 1.653 1.00 3.04 H new ATOM 0 HB3 PHE A 24 2.164 -5.292 1.183 1.00 3.04 H new ATOM 0 HD1 PHE A 24 -0.343 -3.513 3.366 1.00 51.55 H new ATOM 0 HD2 PHE A 24 3.768 -4.547 2.786 1.00 13.03 H new ATOM 0 HE1 PHE A 24 0.221 -2.549 5.559 1.00 51.12 H new ATOM 0 HE2 PHE A 24 4.315 -3.573 4.969 1.00 12.15 H new ATOM 0 HZ PHE A 24 2.547 -2.579 6.359 1.00 71.13 H new ATOM 391 N SER A 25 3.093 -3.127 -0.619 1.00 22.21 N ATOM 392 CA SER A 25 4.212 -2.285 -1.082 1.00 70.33 C ATOM 393 C SER A 25 3.653 -1.013 -1.729 1.00 74.43 C ATOM 394 O SER A 25 3.866 0.082 -1.229 1.00 75.02 O ATOM 395 CB SER A 25 5.106 -3.056 -2.088 1.00 73.42 C ATOM 396 OG SER A 25 6.188 -2.256 -2.546 1.00 64.32 O ATOM 0 H SER A 25 3.106 -4.069 -1.009 1.00 22.21 H new ATOM 0 HA SER A 25 4.831 -2.016 -0.226 1.00 70.33 H new ATOM 0 HB2 SER A 25 5.494 -3.957 -1.614 1.00 73.42 H new ATOM 0 HB3 SER A 25 4.505 -3.377 -2.938 1.00 73.42 H new ATOM 0 HG SER A 25 6.732 -2.772 -3.177 1.00 64.32 H new ATOM 402 N ALA A 26 2.842 -1.209 -2.783 1.00 0.12 N ATOM 403 CA ALA A 26 2.155 -0.122 -3.516 1.00 0.34 C ATOM 404 C ALA A 26 1.250 0.739 -2.597 1.00 5.31 C ATOM 405 O ALA A 26 1.077 1.927 -2.855 1.00 54.10 O ATOM 406 CB ALA A 26 1.329 -0.719 -4.674 1.00 33.54 C ATOM 0 H ALA A 26 2.640 -2.136 -3.157 1.00 0.12 H new ATOM 0 HA ALA A 26 2.923 0.542 -3.912 1.00 0.34 H new ATOM 0 HB1 ALA A 26 0.824 0.083 -5.212 1.00 33.54 H new ATOM 0 HB2 ALA A 26 1.991 -1.253 -5.356 1.00 33.54 H new ATOM 0 HB3 ALA A 26 0.587 -1.410 -4.273 1.00 33.54 H new ATOM 412 N TYR A 27 0.704 0.134 -1.513 1.00 50.22 N ATOM 413 CA TYR A 27 -0.228 0.819 -0.585 1.00 51.41 C ATOM 414 C TYR A 27 0.523 1.804 0.343 1.00 2.12 C ATOM 415 O TYR A 27 0.112 2.949 0.523 1.00 61.54 O ATOM 416 CB TYR A 27 -0.971 -0.227 0.274 1.00 23.32 C ATOM 417 CG TYR A 27 -2.115 0.333 1.148 1.00 61.03 C ATOM 418 CD1 TYR A 27 -3.331 0.724 0.571 1.00 62.32 C ATOM 419 CD2 TYR A 27 -1.983 0.473 2.538 1.00 53.33 C ATOM 420 CE1 TYR A 27 -4.362 1.225 1.340 1.00 53.22 C ATOM 421 CE2 TYR A 27 -3.015 0.974 3.304 1.00 31.13 C ATOM 422 CZ TYR A 27 -4.198 1.348 2.703 1.00 54.25 C ATOM 423 OH TYR A 27 -5.221 1.854 3.470 1.00 51.44 O ATOM 0 H TYR A 27 0.896 -0.835 -1.259 1.00 50.22 H new ATOM 0 HA TYR A 27 -0.941 1.386 -1.183 1.00 51.41 H new ATOM 0 HB2 TYR A 27 -1.381 -0.991 -0.386 1.00 23.32 H new ATOM 0 HB3 TYR A 27 -0.248 -0.721 0.923 1.00 23.32 H new ATOM 0 HD1 TYR A 27 -3.464 0.631 -0.497 1.00 62.32 H new ATOM 0 HD2 TYR A 27 -1.059 0.184 3.016 1.00 53.33 H new ATOM 0 HE1 TYR A 27 -5.292 1.519 0.876 1.00 53.22 H new ATOM 0 HE2 TYR A 27 -2.896 1.073 4.373 1.00 31.13 H new ATOM 0 HH TYR A 27 -4.946 1.874 4.410 1.00 51.44 H new ATOM 433 N ARG A 28 1.625 1.315 0.939 1.00 34.51 N ATOM 434 CA ARG A 28 2.459 2.099 1.877 1.00 22.32 C ATOM 435 C ARG A 28 3.378 3.077 1.113 1.00 1.32 C ATOM 436 O ARG A 28 3.836 4.078 1.678 1.00 72.05 O ATOM 437 CB ARG A 28 3.283 1.136 2.785 1.00 31.44 C ATOM 438 CG ARG A 28 4.410 0.377 2.053 1.00 35.11 C ATOM 439 CD ARG A 28 5.123 -0.652 2.940 1.00 22.32 C ATOM 440 NE ARG A 28 6.205 -1.319 2.205 1.00 11.41 N ATOM 441 CZ ARG A 28 6.964 -2.288 2.664 1.00 62.34 C ATOM 442 NH1 ARG A 28 6.777 -2.814 3.832 1.00 51.52 N ATOM 443 NH2 ARG A 28 7.915 -2.749 1.925 1.00 62.25 N ATOM 0 H ARG A 28 1.965 0.366 0.786 1.00 34.51 H new ATOM 0 HA ARG A 28 1.807 2.698 2.513 1.00 22.32 H new ATOM 0 HB2 ARG A 28 3.720 1.711 3.601 1.00 31.44 H new ATOM 0 HB3 ARG A 28 2.605 0.410 3.234 1.00 31.44 H new ATOM 0 HG2 ARG A 28 3.992 -0.130 1.184 1.00 35.11 H new ATOM 0 HG3 ARG A 28 5.141 1.095 1.682 1.00 35.11 H new ATOM 0 HD2 ARG A 28 5.529 -0.158 3.823 1.00 22.32 H new ATOM 0 HD3 ARG A 28 4.406 -1.394 3.291 1.00 22.32 H new ATOM 0 HE ARG A 28 6.383 -1.001 1.252 1.00 11.41 H new ATOM 0 HH11 ARG A 28 6.021 -2.477 4.428 1.00 51.52 H new ATOM 0 HH12 ARG A 28 7.386 -3.565 4.156 1.00 51.52 H new ATOM 0 HH21 ARG A 28 8.072 -2.361 0.995 1.00 62.25 H new ATOM 0 HH22 ARG A 28 8.511 -3.501 2.271 1.00 62.25 H new ATOM 457 N VAL A 29 3.626 2.781 -0.184 1.00 32.45 N ATOM 458 CA VAL A 29 4.357 3.703 -1.081 1.00 62.51 C ATOM 459 C VAL A 29 3.457 4.890 -1.437 1.00 32.43 C ATOM 460 O VAL A 29 3.826 6.029 -1.196 1.00 54.13 O ATOM 461 CB VAL A 29 4.908 3.005 -2.388 1.00 13.25 C ATOM 462 CG1 VAL A 29 5.392 4.030 -3.452 1.00 5.33 C ATOM 463 CG2 VAL A 29 6.052 2.024 -2.040 1.00 72.33 C ATOM 0 H VAL A 29 3.331 1.913 -0.631 1.00 32.45 H new ATOM 0 HA VAL A 29 5.236 4.050 -0.538 1.00 62.51 H new ATOM 0 HB VAL A 29 4.076 2.452 -2.823 1.00 13.25 H new ATOM 0 HG11 VAL A 29 5.760 3.498 -4.329 1.00 5.33 H new ATOM 0 HG12 VAL A 29 4.562 4.674 -3.741 1.00 5.33 H new ATOM 0 HG13 VAL A 29 6.194 4.638 -3.033 1.00 5.33 H new ATOM 0 HG21 VAL A 29 6.418 1.553 -2.953 1.00 72.33 H new ATOM 0 HG22 VAL A 29 6.866 2.569 -1.561 1.00 72.33 H new ATOM 0 HG23 VAL A 29 5.680 1.257 -1.361 1.00 72.33 H new ATOM 473 N LYS A 30 2.253 4.603 -1.962 1.00 64.43 N ATOM 474 CA LYS A 30 1.266 5.658 -2.324 1.00 51.34 C ATOM 475 C LYS A 30 0.769 6.417 -1.067 1.00 23.42 C ATOM 476 O LYS A 30 0.243 7.513 -1.180 1.00 13.03 O ATOM 477 CB LYS A 30 0.054 5.064 -3.096 1.00 3.22 C ATOM 478 CG LYS A 30 -0.933 4.280 -2.211 1.00 44.12 C ATOM 479 CD LYS A 30 -2.065 3.583 -2.996 1.00 40.04 C ATOM 480 CE LYS A 30 -3.026 4.575 -3.670 1.00 3.03 C ATOM 481 NZ LYS A 30 -3.682 5.474 -2.688 1.00 21.53 N ATOM 0 H LYS A 30 1.932 3.653 -2.148 1.00 64.43 H new ATOM 0 HA LYS A 30 1.779 6.363 -2.978 1.00 51.34 H new ATOM 0 HB2 LYS A 30 -0.482 5.875 -3.589 1.00 3.22 H new ATOM 0 HB3 LYS A 30 0.425 4.404 -3.880 1.00 3.22 H new ATOM 0 HG2 LYS A 30 -0.381 3.529 -1.646 1.00 44.12 H new ATOM 0 HG3 LYS A 30 -1.375 4.963 -1.485 1.00 44.12 H new ATOM 0 HD2 LYS A 30 -1.628 2.936 -3.756 1.00 40.04 H new ATOM 0 HD3 LYS A 30 -2.629 2.943 -2.318 1.00 40.04 H new ATOM 0 HE2 LYS A 30 -2.477 5.173 -4.398 1.00 3.03 H new ATOM 0 HE3 LYS A 30 -3.788 4.023 -4.221 1.00 3.03 H new ATOM 0 HZ1 LYS A 30 -4.452 5.995 -3.154 1.00 21.53 H new ATOM 0 HZ2 LYS A 30 -4.070 4.909 -1.906 1.00 21.53 H new ATOM 0 HZ3 LYS A 30 -2.984 6.149 -2.315 1.00 21.53 H new ATOM 495 N ALA A 31 0.919 5.809 0.129 1.00 64.23 N ATOM 496 CA ALA A 31 0.675 6.510 1.405 1.00 32.43 C ATOM 497 C ALA A 31 1.757 7.587 1.629 1.00 61.25 C ATOM 498 O ALA A 31 1.460 8.737 1.960 1.00 54.42 O ATOM 499 CB ALA A 31 0.646 5.505 2.569 1.00 4.30 C ATOM 0 H ALA A 31 1.207 4.836 0.236 1.00 64.23 H new ATOM 0 HA ALA A 31 -0.296 7.003 1.362 1.00 32.43 H new ATOM 0 HB1 ALA A 31 0.465 6.036 3.504 1.00 4.30 H new ATOM 0 HB2 ALA A 31 -0.151 4.780 2.404 1.00 4.30 H new ATOM 0 HB3 ALA A 31 1.603 4.986 2.626 1.00 4.30 H new ATOM 505 N TYR A 32 3.013 7.190 1.373 1.00 5.44 N ATOM 506 CA TYR A 32 4.205 8.044 1.582 1.00 62.23 C ATOM 507 C TYR A 32 4.474 8.985 0.391 1.00 63.41 C ATOM 508 O TYR A 32 5.312 9.884 0.469 1.00 63.11 O ATOM 509 CB TYR A 32 5.425 7.137 1.845 1.00 35.23 C ATOM 510 CG TYR A 32 6.675 7.890 2.331 1.00 64.42 C ATOM 511 CD1 TYR A 32 6.641 8.645 3.510 1.00 14.10 C ATOM 512 CD2 TYR A 32 7.873 7.878 1.604 1.00 63.20 C ATOM 513 CE1 TYR A 32 7.743 9.359 3.937 1.00 40.22 C ATOM 514 CE2 TYR A 32 8.977 8.586 2.034 1.00 1.24 C ATOM 515 CZ TYR A 32 8.907 9.324 3.199 1.00 73.31 C ATOM 516 OH TYR A 32 10.003 10.043 3.622 1.00 54.34 O ATOM 0 H TYR A 32 3.237 6.263 1.013 1.00 5.44 H new ATOM 0 HA TYR A 32 4.019 8.686 2.443 1.00 62.23 H new ATOM 0 HB2 TYR A 32 5.153 6.388 2.589 1.00 35.23 H new ATOM 0 HB3 TYR A 32 5.670 6.601 0.928 1.00 35.23 H new ATOM 0 HD1 TYR A 32 5.735 8.669 4.097 1.00 14.10 H new ATOM 0 HD2 TYR A 32 7.933 7.304 0.691 1.00 63.20 H new ATOM 0 HE1 TYR A 32 7.693 9.942 4.845 1.00 40.22 H new ATOM 0 HE2 TYR A 32 9.892 8.563 1.461 1.00 1.24 H new ATOM 0 HH TYR A 32 10.743 9.912 2.993 1.00 54.34 H new ATOM 526 N ASN A 33 3.791 8.739 -0.716 1.00 42.52 N ATOM 527 CA ASN A 33 3.875 9.580 -1.929 1.00 73.34 C ATOM 528 C ASN A 33 2.719 10.595 -1.960 1.00 72.24 C ATOM 529 O ASN A 33 2.944 11.804 -2.028 1.00 12.51 O ATOM 530 CB ASN A 33 3.882 8.705 -3.213 1.00 55.24 C ATOM 531 CG ASN A 33 5.174 7.894 -3.450 1.00 4.41 C ATOM 532 OD1 ASN A 33 5.564 7.655 -4.583 1.00 44.42 O ATOM 533 ND2 ASN A 33 5.834 7.432 -2.405 1.00 30.23 N ATOM 0 H ASN A 33 3.155 7.948 -0.812 1.00 42.52 H new ATOM 0 HA ASN A 33 4.814 10.132 -1.899 1.00 73.34 H new ATOM 0 HB2 ASN A 33 3.041 8.013 -3.166 1.00 55.24 H new ATOM 0 HB3 ASN A 33 3.715 9.351 -4.075 1.00 55.24 H new ATOM 0 HD21 ASN A 33 6.675 6.872 -2.540 1.00 30.23 H new ATOM 0 HD22 ASN A 33 5.503 7.635 -1.462 1.00 30.23 H new ATOM 540 N SER A 34 1.486 10.084 -1.843 1.00 11.43 N ATOM 541 CA SER A 34 0.258 10.910 -2.048 1.00 5.12 C ATOM 542 C SER A 34 -0.042 11.795 -0.825 1.00 64.40 C ATOM 543 O SER A 34 -0.232 13.004 -0.967 1.00 20.54 O ATOM 544 CB SER A 34 -0.971 10.027 -2.372 1.00 72.02 C ATOM 545 OG SER A 34 -2.141 10.804 -2.579 1.00 34.51 O ATOM 0 H SER A 34 1.298 9.109 -1.609 1.00 11.43 H new ATOM 0 HA SER A 34 0.456 11.558 -2.902 1.00 5.12 H new ATOM 0 HB2 SER A 34 -0.767 9.434 -3.263 1.00 72.02 H new ATOM 0 HB3 SER A 34 -1.140 9.326 -1.554 1.00 72.02 H new ATOM 0 HG SER A 34 -2.895 10.212 -2.783 1.00 34.51 H new ATOM 551 N ALA A 35 -0.077 11.187 0.378 1.00 42.12 N ATOM 552 CA ALA A 35 -0.347 11.922 1.637 1.00 21.11 C ATOM 553 C ALA A 35 0.816 12.871 2.001 1.00 11.34 C ATOM 554 O ALA A 35 0.599 13.898 2.646 1.00 53.33 O ATOM 555 CB ALA A 35 -0.642 10.957 2.796 1.00 1.12 C ATOM 0 H ALA A 35 0.078 10.187 0.507 1.00 42.12 H new ATOM 0 HA ALA A 35 -1.235 12.531 1.469 1.00 21.11 H new ATOM 0 HB1 ALA A 35 -0.836 11.528 3.704 1.00 1.12 H new ATOM 0 HB2 ALA A 35 -1.517 10.353 2.553 1.00 1.12 H new ATOM 0 HB3 ALA A 35 0.217 10.304 2.954 1.00 1.12 H new ATOM 561 N ALA A 36 2.057 12.519 1.582 1.00 34.13 N ATOM 562 CA ALA A 36 3.239 13.392 1.773 1.00 43.45 C ATOM 563 C ALA A 36 3.158 14.636 0.871 1.00 61.31 C ATOM 564 O ALA A 36 3.466 15.739 1.308 1.00 62.42 O ATOM 565 CB ALA A 36 4.539 12.628 1.516 1.00 30.35 C ATOM 0 H ALA A 36 2.263 11.638 1.111 1.00 34.13 H new ATOM 0 HA ALA A 36 3.240 13.722 2.812 1.00 43.45 H new ATOM 0 HB1 ALA A 36 5.388 13.295 1.664 1.00 30.35 H new ATOM 0 HB2 ALA A 36 4.611 11.789 2.209 1.00 30.35 H new ATOM 0 HB3 ALA A 36 4.545 12.254 0.492 1.00 30.35 H new ATOM 571 N SER A 37 2.746 14.431 -0.399 1.00 34.43 N ATOM 572 CA SER A 37 2.480 15.540 -1.346 1.00 54.04 C ATOM 573 C SER A 37 1.375 16.467 -0.806 1.00 43.24 C ATOM 574 O SER A 37 1.542 17.676 -0.786 1.00 43.30 O ATOM 575 CB SER A 37 2.088 15.003 -2.743 1.00 61.21 C ATOM 576 OG SER A 37 3.135 14.250 -3.331 1.00 21.42 O ATOM 0 H SER A 37 2.589 13.504 -0.795 1.00 34.43 H new ATOM 0 HA SER A 37 3.401 16.114 -1.447 1.00 54.04 H new ATOM 0 HB2 SER A 37 1.197 14.381 -2.656 1.00 61.21 H new ATOM 0 HB3 SER A 37 1.831 15.838 -3.394 1.00 61.21 H new ATOM 0 HG SER A 37 3.167 13.360 -2.922 1.00 21.42 H new ATOM 582 N SER A 38 0.268 15.863 -0.325 1.00 4.22 N ATOM 583 CA SER A 38 -0.906 16.598 0.200 1.00 32.41 C ATOM 584 C SER A 38 -0.580 17.355 1.484 1.00 20.25 C ATOM 585 O SER A 38 -1.171 18.393 1.749 1.00 62.31 O ATOM 586 CB SER A 38 -2.080 15.630 0.445 1.00 72.33 C ATOM 587 OG SER A 38 -2.438 14.958 -0.746 1.00 72.43 O ATOM 0 H SER A 38 0.161 14.849 -0.289 1.00 4.22 H new ATOM 0 HA SER A 38 -1.191 17.331 -0.554 1.00 32.41 H new ATOM 0 HB2 SER A 38 -1.803 14.903 1.208 1.00 72.33 H new ATOM 0 HB3 SER A 38 -2.938 16.183 0.827 1.00 72.33 H new ATOM 0 HG SER A 38 -1.773 14.266 -0.944 1.00 72.43 H new ATOM 593 N ASP A 39 0.344 16.807 2.279 1.00 25.31 N ATOM 594 CA ASP A 39 0.913 17.497 3.454 1.00 32.40 C ATOM 595 C ASP A 39 1.615 18.803 3.025 1.00 23.02 C ATOM 596 O ASP A 39 1.328 19.872 3.552 1.00 54.32 O ATOM 597 CB ASP A 39 1.915 16.563 4.175 1.00 75.44 C ATOM 598 CG ASP A 39 2.627 17.229 5.365 1.00 14.41 C ATOM 599 OD1 ASP A 39 1.990 17.422 6.419 1.00 3.24 O ATOM 600 OD2 ASP A 39 3.819 17.586 5.247 1.00 53.40 O ATOM 0 H ASP A 39 0.723 15.872 2.131 1.00 25.31 H new ATOM 0 HA ASP A 39 0.104 17.750 4.140 1.00 32.40 H new ATOM 0 HB2 ASP A 39 1.385 15.678 4.528 1.00 75.44 H new ATOM 0 HB3 ASP A 39 2.663 16.223 3.458 1.00 75.44 H new ATOM 605 N LEU A 40 2.504 18.688 2.023 1.00 32.21 N ATOM 606 CA LEU A 40 3.338 19.813 1.540 1.00 33.12 C ATOM 607 C LEU A 40 2.496 20.858 0.780 1.00 23.33 C ATOM 608 O LEU A 40 2.802 22.052 0.803 1.00 30.44 O ATOM 609 CB LEU A 40 4.477 19.276 0.636 1.00 40.35 C ATOM 610 CG LEU A 40 5.446 18.248 1.310 1.00 14.33 C ATOM 611 CD1 LEU A 40 6.479 17.698 0.303 1.00 25.55 C ATOM 612 CD2 LEU A 40 6.132 18.848 2.564 1.00 51.42 C ATOM 0 H LEU A 40 2.668 17.815 1.522 1.00 32.21 H new ATOM 0 HA LEU A 40 3.771 20.309 2.409 1.00 33.12 H new ATOM 0 HB2 LEU A 40 4.030 18.807 -0.241 1.00 40.35 H new ATOM 0 HB3 LEU A 40 5.064 20.123 0.280 1.00 40.35 H new ATOM 0 HG LEU A 40 4.842 17.405 1.646 1.00 14.33 H new ATOM 0 HD11 LEU A 40 7.135 16.987 0.806 1.00 25.55 H new ATOM 0 HD12 LEU A 40 5.960 17.197 -0.514 1.00 25.55 H new ATOM 0 HD13 LEU A 40 7.073 18.521 -0.095 1.00 25.55 H new ATOM 0 HD21 LEU A 40 6.797 18.106 3.005 1.00 51.42 H new ATOM 0 HD22 LEU A 40 6.709 19.727 2.277 1.00 51.42 H new ATOM 0 HD23 LEU A 40 5.373 19.134 3.292 1.00 51.42 H new ATOM 624 N ARG A 41 1.425 20.379 0.120 1.00 3.15 N ATOM 625 CA ARG A 41 0.481 21.244 -0.623 1.00 50.01 C ATOM 626 C ARG A 41 -0.488 21.938 0.348 1.00 11.41 C ATOM 627 O ARG A 41 -0.905 23.061 0.099 1.00 64.14 O ATOM 628 CB ARG A 41 -0.302 20.442 -1.705 1.00 5.55 C ATOM 629 CG ARG A 41 0.577 19.831 -2.822 1.00 72.31 C ATOM 630 CD ARG A 41 1.443 20.874 -3.549 1.00 11.20 C ATOM 631 NE ARG A 41 2.248 20.256 -4.617 1.00 54.42 N ATOM 632 CZ ARG A 41 2.499 20.776 -5.800 1.00 4.42 C ATOM 633 NH1 ARG A 41 2.022 21.930 -6.151 1.00 22.15 N ATOM 634 NH2 ARG A 41 3.215 20.115 -6.635 1.00 32.23 N ATOM 0 H ARG A 41 1.188 19.388 0.085 1.00 3.15 H new ATOM 0 HA ARG A 41 1.064 22.006 -1.140 1.00 50.01 H new ATOM 0 HB2 ARG A 41 -0.852 19.639 -1.215 1.00 5.55 H new ATOM 0 HB3 ARG A 41 -1.040 21.101 -2.162 1.00 5.55 H new ATOM 0 HG2 ARG A 41 1.224 19.068 -2.390 1.00 72.31 H new ATOM 0 HG3 ARG A 41 -0.064 19.331 -3.548 1.00 72.31 H new ATOM 0 HD2 ARG A 41 0.803 21.647 -3.975 1.00 11.20 H new ATOM 0 HD3 ARG A 41 2.102 21.365 -2.833 1.00 11.20 H new ATOM 0 HE ARG A 41 2.649 19.339 -4.421 1.00 54.42 H new ATOM 0 HH11 ARG A 41 1.437 22.458 -5.504 1.00 22.15 H new ATOM 0 HH12 ARG A 41 2.232 22.309 -7.074 1.00 22.15 H new ATOM 0 HH21 ARG A 41 3.582 19.198 -6.379 1.00 32.23 H new ATOM 0 HH22 ARG A 41 3.417 20.506 -7.555 1.00 32.23 H new ATOM 648 N ASN A 42 -0.831 21.246 1.457 1.00 13.34 N ATOM 649 CA ASN A 42 -1.624 21.832 2.566 1.00 74.30 C ATOM 650 C ASN A 42 -0.832 22.970 3.254 1.00 25.24 C ATOM 651 O ASN A 42 -1.395 24.007 3.608 1.00 53.22 O ATOM 652 CB ASN A 42 -2.003 20.738 3.607 1.00 35.35 C ATOM 653 CG ASN A 42 -2.998 21.222 4.674 1.00 70.03 C ATOM 654 OD1 ASN A 42 -3.908 21.987 4.388 1.00 31.24 O ATOM 655 ND2 ASN A 42 -2.832 20.794 5.912 1.00 13.32 N ATOM 0 H ASN A 42 -0.569 20.272 1.610 1.00 13.34 H new ATOM 0 HA ASN A 42 -2.541 22.246 2.148 1.00 74.30 H new ATOM 0 HB2 ASN A 42 -2.432 19.883 3.084 1.00 35.35 H new ATOM 0 HB3 ASN A 42 -1.096 20.388 4.100 1.00 35.35 H new ATOM 0 HD21 ASN A 42 -3.468 21.101 6.648 1.00 13.32 H new ATOM 0 HD22 ASN A 42 -2.067 20.156 6.133 1.00 13.32 H new ATOM 662 N LEU A 43 0.493 22.759 3.402 1.00 12.45 N ATOM 663 CA LEU A 43 1.410 23.748 4.009 1.00 44.15 C ATOM 664 C LEU A 43 1.595 24.952 3.073 1.00 61.52 C ATOM 665 O LEU A 43 1.561 26.102 3.510 1.00 64.14 O ATOM 666 CB LEU A 43 2.792 23.101 4.313 1.00 61.11 C ATOM 667 CG LEU A 43 2.808 21.982 5.402 1.00 41.35 C ATOM 668 CD1 LEU A 43 4.216 21.361 5.554 1.00 50.53 C ATOM 669 CD2 LEU A 43 2.267 22.505 6.758 1.00 20.52 C ATOM 0 H LEU A 43 0.957 21.900 3.105 1.00 12.45 H new ATOM 0 HA LEU A 43 0.969 24.090 4.945 1.00 44.15 H new ATOM 0 HB2 LEU A 43 3.185 22.682 3.386 1.00 61.11 H new ATOM 0 HB3 LEU A 43 3.478 23.889 4.623 1.00 61.11 H new ATOM 0 HG LEU A 43 2.138 21.190 5.068 1.00 41.35 H new ATOM 0 HD11 LEU A 43 4.191 20.586 6.320 1.00 50.53 H new ATOM 0 HD12 LEU A 43 4.525 20.923 4.605 1.00 50.53 H new ATOM 0 HD13 LEU A 43 4.926 22.135 5.845 1.00 50.53 H new ATOM 0 HD21 LEU A 43 2.292 21.701 7.494 1.00 20.52 H new ATOM 0 HD22 LEU A 43 2.888 23.332 7.103 1.00 20.52 H new ATOM 0 HD23 LEU A 43 1.241 22.850 6.632 1.00 20.52 H new ATOM 681 N LYS A 44 1.755 24.665 1.773 1.00 43.35 N ATOM 682 CA LYS A 44 2.039 25.688 0.762 1.00 44.13 C ATOM 683 C LYS A 44 0.814 26.591 0.568 1.00 34.51 C ATOM 684 O LYS A 44 0.923 27.805 0.684 1.00 35.22 O ATOM 685 CB LYS A 44 2.465 25.019 -0.569 1.00 63.13 C ATOM 686 CG LYS A 44 2.817 26.000 -1.722 1.00 32.04 C ATOM 687 CD LYS A 44 3.957 27.003 -1.364 1.00 50.35 C ATOM 688 CE LYS A 44 5.306 26.320 -1.048 1.00 41.43 C ATOM 689 NZ LYS A 44 5.817 25.520 -2.195 1.00 24.44 N ATOM 0 H LYS A 44 1.691 23.719 1.396 1.00 43.35 H new ATOM 0 HA LYS A 44 2.866 26.311 1.103 1.00 44.13 H new ATOM 0 HB2 LYS A 44 3.330 24.384 -0.377 1.00 63.13 H new ATOM 0 HB3 LYS A 44 1.659 24.366 -0.903 1.00 63.13 H new ATOM 0 HG2 LYS A 44 3.113 25.425 -2.599 1.00 32.04 H new ATOM 0 HG3 LYS A 44 1.924 26.561 -1.995 1.00 32.04 H new ATOM 0 HD2 LYS A 44 4.095 27.694 -2.195 1.00 50.35 H new ATOM 0 HD3 LYS A 44 3.650 27.597 -0.503 1.00 50.35 H new ATOM 0 HE2 LYS A 44 6.041 27.079 -0.781 1.00 41.43 H new ATOM 0 HE3 LYS A 44 5.188 25.672 -0.180 1.00 41.43 H new ATOM 0 HZ1 LYS A 44 6.747 25.123 -1.954 1.00 24.44 H new ATOM 0 HZ2 LYS A 44 5.153 24.747 -2.402 1.00 24.44 H new ATOM 0 HZ3 LYS A 44 5.908 26.131 -3.032 1.00 24.44 H new ATOM 703 N THR A 45 -0.355 25.964 0.344 1.00 60.32 N ATOM 704 CA THR A 45 -1.640 26.668 0.099 1.00 13.34 C ATOM 705 C THR A 45 -2.060 27.538 1.312 1.00 10.20 C ATOM 706 O THR A 45 -2.663 28.602 1.148 1.00 53.15 O ATOM 707 CB THR A 45 -2.777 25.640 -0.269 1.00 22.04 C ATOM 708 OG1 THR A 45 -3.820 26.288 -1.018 1.00 5.21 O ATOM 709 CG2 THR A 45 -3.412 24.943 0.956 1.00 4.33 C ATOM 0 H THR A 45 -0.442 24.948 0.327 1.00 60.32 H new ATOM 0 HA THR A 45 -1.489 27.338 -0.747 1.00 13.34 H new ATOM 0 HB THR A 45 -2.287 24.870 -0.866 1.00 22.04 H new ATOM 0 HG1 THR A 45 -4.517 25.636 -1.240 1.00 5.21 H new ATOM 0 HG21 THR A 45 -4.185 24.251 0.621 1.00 4.33 H new ATOM 0 HG22 THR A 45 -2.644 24.393 1.500 1.00 4.33 H new ATOM 0 HG23 THR A 45 -3.855 25.692 1.612 1.00 4.33 H new ATOM 717 N ALA A 46 -1.721 27.055 2.525 1.00 10.55 N ATOM 718 CA ALA A 46 -1.937 27.790 3.794 1.00 72.12 C ATOM 719 C ALA A 46 -1.108 29.094 3.839 1.00 23.21 C ATOM 720 O ALA A 46 -1.627 30.166 4.182 1.00 21.13 O ATOM 721 CB ALA A 46 -1.588 26.889 4.991 1.00 23.41 C ATOM 0 H ALA A 46 -1.288 26.141 2.655 1.00 10.55 H new ATOM 0 HA ALA A 46 -2.990 28.066 3.851 1.00 72.12 H new ATOM 0 HB1 ALA A 46 -1.750 27.438 5.919 1.00 23.41 H new ATOM 0 HB2 ALA A 46 -2.224 26.004 4.977 1.00 23.41 H new ATOM 0 HB3 ALA A 46 -0.543 26.586 4.926 1.00 23.41 H new ATOM 727 N LEU A 47 0.184 28.971 3.489 1.00 41.34 N ATOM 728 CA LEU A 47 1.113 30.116 3.400 1.00 53.11 C ATOM 729 C LEU A 47 0.709 31.100 2.267 1.00 64.13 C ATOM 730 O LEU A 47 0.742 32.318 2.465 1.00 75.13 O ATOM 731 CB LEU A 47 2.582 29.610 3.216 1.00 13.03 C ATOM 732 CG LEU A 47 3.382 29.264 4.528 1.00 55.44 C ATOM 733 CD1 LEU A 47 2.634 28.266 5.447 1.00 34.41 C ATOM 734 CD2 LEU A 47 4.798 28.738 4.184 1.00 14.03 C ATOM 0 H LEU A 47 0.616 28.076 3.259 1.00 41.34 H new ATOM 0 HA LEU A 47 1.053 30.670 4.337 1.00 53.11 H new ATOM 0 HB2 LEU A 47 2.559 28.720 2.587 1.00 13.03 H new ATOM 0 HB3 LEU A 47 3.138 30.372 2.670 1.00 13.03 H new ATOM 0 HG LEU A 47 3.475 30.193 5.090 1.00 55.44 H new ATOM 0 HD11 LEU A 47 3.236 28.067 6.334 1.00 34.41 H new ATOM 0 HD12 LEU A 47 1.677 28.694 5.746 1.00 34.41 H new ATOM 0 HD13 LEU A 47 2.462 27.334 4.909 1.00 34.41 H new ATOM 0 HD21 LEU A 47 5.333 28.505 5.105 1.00 14.03 H new ATOM 0 HD22 LEU A 47 4.714 27.838 3.576 1.00 14.03 H new ATOM 0 HD23 LEU A 47 5.345 29.501 3.629 1.00 14.03 H new ATOM 746 N GLU A 48 0.290 30.565 1.096 1.00 11.53 N ATOM 747 CA GLU A 48 -0.088 31.397 -0.071 1.00 34.12 C ATOM 748 C GLU A 48 -1.344 32.235 0.237 1.00 72.22 C ATOM 749 O GLU A 48 -1.393 33.418 -0.082 1.00 64.50 O ATOM 750 CB GLU A 48 -0.313 30.532 -1.350 1.00 51.25 C ATOM 751 CG GLU A 48 0.898 29.677 -1.808 1.00 54.35 C ATOM 752 CD GLU A 48 2.231 30.447 -1.886 1.00 75.24 C ATOM 753 OE1 GLU A 48 2.516 31.068 -2.931 1.00 41.02 O ATOM 754 OE2 GLU A 48 3.007 30.435 -0.901 1.00 10.45 O ATOM 0 H GLU A 48 0.205 29.561 0.934 1.00 11.53 H new ATOM 0 HA GLU A 48 0.744 32.073 -0.269 1.00 34.12 H new ATOM 0 HB2 GLU A 48 -1.157 29.866 -1.171 1.00 51.25 H new ATOM 0 HB3 GLU A 48 -0.597 31.194 -2.168 1.00 51.25 H new ATOM 0 HG2 GLU A 48 1.016 28.840 -1.120 1.00 54.35 H new ATOM 0 HG3 GLU A 48 0.679 29.255 -2.789 1.00 54.35 H new ATOM 761 N SER A 49 -2.332 31.611 0.905 1.00 50.22 N ATOM 762 CA SER A 49 -3.586 32.289 1.322 1.00 63.32 C ATOM 763 C SER A 49 -3.341 33.321 2.453 1.00 4.12 C ATOM 764 O SER A 49 -4.074 34.309 2.562 1.00 12.53 O ATOM 765 CB SER A 49 -4.645 31.256 1.771 1.00 1.00 C ATOM 766 OG SER A 49 -5.005 30.376 0.713 1.00 23.14 O ATOM 0 H SER A 49 -2.290 30.628 1.172 1.00 50.22 H new ATOM 0 HA SER A 49 -3.959 32.829 0.452 1.00 63.32 H new ATOM 0 HB2 SER A 49 -4.256 30.677 2.609 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.533 31.777 2.128 1.00 1.00 H new ATOM 0 HG SER A 49 -4.352 29.648 0.656 1.00 23.14 H new ATOM 772 N ALA A 50 -2.298 33.088 3.277 1.00 0.01 N ATOM 773 CA ALA A 50 -1.968 33.964 4.423 1.00 64.00 C ATOM 774 C ALA A 50 -1.299 35.268 3.940 1.00 72.32 C ATOM 775 O ALA A 50 -1.769 36.372 4.232 1.00 62.30 O ATOM 776 CB ALA A 50 -1.053 33.221 5.416 1.00 61.33 C ATOM 0 H ALA A 50 -1.665 32.295 3.169 1.00 0.01 H new ATOM 0 HA ALA A 50 -2.894 34.228 4.933 1.00 64.00 H new ATOM 0 HB1 ALA A 50 -0.818 33.877 6.254 1.00 61.33 H new ATOM 0 HB2 ALA A 50 -1.562 32.330 5.784 1.00 61.33 H new ATOM 0 HB3 ALA A 50 -0.131 32.930 4.913 1.00 61.33 H new ATOM 782 N PHE A 51 -0.232 35.101 3.142 1.00 33.14 N ATOM 783 CA PHE A 51 0.617 36.216 2.660 1.00 61.53 C ATOM 784 C PHE A 51 -0.037 37.001 1.498 1.00 71.12 C ATOM 785 O PHE A 51 0.358 38.140 1.223 1.00 23.25 O ATOM 786 CB PHE A 51 2.012 35.678 2.238 1.00 23.34 C ATOM 787 CG PHE A 51 2.819 35.059 3.387 1.00 44.21 C ATOM 788 CD1 PHE A 51 3.125 35.807 4.525 1.00 63.15 C ATOM 789 CD2 PHE A 51 3.273 33.739 3.333 1.00 71.32 C ATOM 790 CE1 PHE A 51 3.853 35.255 5.560 1.00 2.01 C ATOM 791 CE2 PHE A 51 3.999 33.191 4.371 1.00 15.43 C ATOM 792 CZ PHE A 51 4.287 33.948 5.483 1.00 61.12 C ATOM 0 H PHE A 51 0.072 34.186 2.808 1.00 33.14 H new ATOM 0 HA PHE A 51 0.733 36.917 3.487 1.00 61.53 H new ATOM 0 HB2 PHE A 51 1.880 34.929 1.457 1.00 23.34 H new ATOM 0 HB3 PHE A 51 2.588 36.495 1.803 1.00 23.34 H new ATOM 0 HD1 PHE A 51 2.788 36.831 4.597 1.00 63.15 H new ATOM 0 HD2 PHE A 51 3.052 33.137 2.464 1.00 71.32 H new ATOM 0 HE1 PHE A 51 4.083 35.848 6.433 1.00 2.01 H new ATOM 0 HE2 PHE A 51 4.341 32.168 4.310 1.00 15.43 H new ATOM 0 HZ PHE A 51 4.853 33.519 6.296 1.00 61.12 H new ATOM 802 N ALA A 52 -1.025 36.385 0.809 1.00 22.03 N ATOM 803 CA ALA A 52 -1.790 37.060 -0.276 1.00 33.32 C ATOM 804 C ALA A 52 -2.918 37.944 0.289 1.00 15.51 C ATOM 805 O ALA A 52 -3.328 38.920 -0.350 1.00 63.13 O ATOM 806 CB ALA A 52 -2.362 36.037 -1.272 1.00 3.50 C ATOM 0 H ALA A 52 -1.314 35.422 0.982 1.00 22.03 H new ATOM 0 HA ALA A 52 -1.090 37.705 -0.807 1.00 33.32 H new ATOM 0 HB1 ALA A 52 -2.915 36.559 -2.053 1.00 3.50 H new ATOM 0 HB2 ALA A 52 -1.546 35.472 -1.722 1.00 3.50 H new ATOM 0 HB3 ALA A 52 -3.031 35.354 -0.748 1.00 3.50 H new ATOM 812 N ASP A 53 -3.422 37.597 1.488 1.00 22.13 N ATOM 813 CA ASP A 53 -4.473 38.387 2.162 1.00 75.20 C ATOM 814 C ASP A 53 -3.822 39.537 2.971 1.00 0.23 C ATOM 815 O ASP A 53 -4.182 40.710 2.822 1.00 51.13 O ATOM 816 CB ASP A 53 -5.329 37.476 3.083 1.00 1.51 C ATOM 817 CG ASP A 53 -6.737 38.044 3.324 1.00 61.25 C ATOM 818 OD1 ASP A 53 -6.919 38.891 4.220 1.00 42.42 O ATOM 819 OD2 ASP A 53 -7.676 37.653 2.590 1.00 45.50 O ATOM 0 H ASP A 53 -3.119 36.775 2.011 1.00 22.13 H new ATOM 0 HA ASP A 53 -5.134 38.819 1.411 1.00 75.20 H new ATOM 0 HB2 ASP A 53 -5.411 36.486 2.635 1.00 1.51 H new ATOM 0 HB3 ASP A 53 -4.822 37.352 4.040 1.00 1.51 H new ATOM 824 N ASP A 54 -2.848 39.160 3.820 1.00 1.25 N ATOM 825 CA ASP A 54 -2.044 40.084 4.651 1.00 61.21 C ATOM 826 C ASP A 54 -0.557 39.680 4.582 1.00 35.30 C ATOM 827 O ASP A 54 -0.136 38.700 5.215 1.00 71.35 O ATOM 828 CB ASP A 54 -2.523 40.087 6.132 1.00 65.14 C ATOM 829 CG ASP A 54 -3.930 40.666 6.313 1.00 11.31 C ATOM 830 OD1 ASP A 54 -4.064 41.909 6.378 1.00 15.01 O ATOM 831 OD2 ASP A 54 -4.909 39.896 6.376 1.00 32.31 O ATOM 0 H ASP A 54 -2.590 38.182 3.952 1.00 1.25 H new ATOM 0 HA ASP A 54 -2.173 41.092 4.257 1.00 61.21 H new ATOM 0 HB2 ASP A 54 -2.506 39.066 6.514 1.00 65.14 H new ATOM 0 HB3 ASP A 54 -1.820 40.664 6.733 1.00 65.14 H new ATOM 836 N GLN A 55 0.232 40.433 3.792 1.00 54.43 N ATOM 837 CA GLN A 55 1.702 40.259 3.718 1.00 22.34 C ATOM 838 C GLN A 55 2.381 40.703 5.049 1.00 22.22 C ATOM 839 O GLN A 55 3.508 40.301 5.360 1.00 71.52 O ATOM 840 CB GLN A 55 2.258 41.047 2.495 1.00 54.12 C ATOM 841 CG GLN A 55 3.734 40.767 2.141 1.00 54.14 C ATOM 842 CD GLN A 55 4.008 39.290 1.821 1.00 14.31 C ATOM 843 OE1 GLN A 55 4.358 38.501 2.688 1.00 23.40 O ATOM 844 NE2 GLN A 55 3.843 38.913 0.580 1.00 31.12 N ATOM 0 H GLN A 55 -0.125 41.175 3.190 1.00 54.43 H new ATOM 0 HA GLN A 55 1.934 39.203 3.580 1.00 22.34 H new ATOM 0 HB2 GLN A 55 1.643 40.815 1.625 1.00 54.12 H new ATOM 0 HB3 GLN A 55 2.145 42.113 2.690 1.00 54.12 H new ATOM 0 HG2 GLN A 55 4.018 41.377 1.283 1.00 54.14 H new ATOM 0 HG3 GLN A 55 4.366 41.075 2.974 1.00 54.14 H new ATOM 0 HE21 GLN A 55 3.551 39.590 -0.124 1.00 31.12 H new ATOM 0 HE22 GLN A 55 4.007 37.941 0.316 1.00 31.12 H new ATOM 853 N THR A 56 1.650 41.531 5.828 1.00 74.21 N ATOM 854 CA THR A 56 2.058 41.985 7.178 1.00 11.21 C ATOM 855 C THR A 56 1.951 40.861 8.241 1.00 52.05 C ATOM 856 O THR A 56 2.693 40.870 9.232 1.00 14.14 O ATOM 857 CB THR A 56 1.182 43.192 7.650 1.00 1.21 C ATOM 858 OG1 THR A 56 -0.201 42.795 7.711 1.00 63.44 O ATOM 859 CG2 THR A 56 1.316 44.411 6.719 1.00 3.44 C ATOM 0 H THR A 56 0.749 41.908 5.534 1.00 74.21 H new ATOM 0 HA THR A 56 3.102 42.285 7.090 1.00 11.21 H new ATOM 0 HB THR A 56 1.540 43.484 8.637 1.00 1.21 H new ATOM 0 HG1 THR A 56 -0.746 43.553 8.009 1.00 63.44 H new ATOM 0 HG21 THR A 56 0.689 45.222 7.089 1.00 3.44 H new ATOM 0 HG22 THR A 56 2.356 44.738 6.695 1.00 3.44 H new ATOM 0 HG23 THR A 56 0.998 44.137 5.713 1.00 3.44 H new ATOM 867 N TYR A 57 1.011 39.910 8.045 1.00 24.11 N ATOM 868 CA TYR A 57 0.738 38.819 9.021 1.00 34.44 C ATOM 869 C TYR A 57 1.546 37.522 8.713 1.00 61.30 C ATOM 870 O TYR A 57 1.897 37.267 7.556 1.00 75.41 O ATOM 871 CB TYR A 57 -0.794 38.519 9.086 1.00 41.43 C ATOM 872 CG TYR A 57 -1.557 39.422 10.076 1.00 4.01 C ATOM 873 CD1 TYR A 57 -1.857 40.752 9.772 1.00 25.34 C ATOM 874 CD2 TYR A 57 -1.941 38.943 11.334 1.00 70.41 C ATOM 875 CE1 TYR A 57 -2.519 41.560 10.676 1.00 41.30 C ATOM 876 CE2 TYR A 57 -2.600 39.752 12.241 1.00 23.14 C ATOM 877 CZ TYR A 57 -2.887 41.058 11.908 1.00 12.33 C ATOM 878 OH TYR A 57 -3.537 41.866 12.815 1.00 71.52 O ATOM 0 H TYR A 57 0.421 39.872 7.214 1.00 24.11 H new ATOM 0 HA TYR A 57 1.073 39.170 9.997 1.00 34.44 H new ATOM 0 HB2 TYR A 57 -1.222 38.641 8.091 1.00 41.43 H new ATOM 0 HB3 TYR A 57 -0.940 37.477 9.370 1.00 41.43 H new ATOM 0 HD1 TYR A 57 -1.566 41.156 8.813 1.00 25.34 H new ATOM 0 HD2 TYR A 57 -1.718 37.921 11.602 1.00 70.41 H new ATOM 0 HE1 TYR A 57 -2.748 42.584 10.419 1.00 41.30 H new ATOM 0 HE2 TYR A 57 -2.889 39.362 13.206 1.00 23.14 H new ATOM 0 HH TYR A 57 -3.725 41.357 13.631 1.00 71.52 H new ATOM 888 N PRO A 58 1.875 36.692 9.771 1.00 62.42 N ATOM 889 CA PRO A 58 2.531 35.358 9.600 1.00 30.03 C ATOM 890 C PRO A 58 1.506 34.239 9.219 1.00 54.22 C ATOM 891 O PRO A 58 0.292 34.504 9.165 1.00 53.53 O ATOM 892 CB PRO A 58 3.151 35.139 11.008 1.00 2.52 C ATOM 893 CG PRO A 58 2.160 35.757 11.946 1.00 61.15 C ATOM 894 CD PRO A 58 1.638 36.988 11.221 1.00 22.00 C ATOM 0 HA PRO A 58 3.257 35.321 8.788 1.00 30.03 H new ATOM 0 HB2 PRO A 58 3.293 34.079 11.220 1.00 2.52 H new ATOM 0 HB3 PRO A 58 4.128 35.614 11.091 1.00 2.52 H new ATOM 0 HG2 PRO A 58 1.351 35.064 12.177 1.00 61.15 H new ATOM 0 HG3 PRO A 58 2.629 36.027 12.892 1.00 61.15 H new ATOM 0 HD2 PRO A 58 0.580 37.151 11.426 1.00 22.00 H new ATOM 0 HD3 PRO A 58 2.166 37.888 11.535 1.00 22.00 H new ATOM 902 N PRO A 59 1.960 32.970 8.915 1.00 62.44 N ATOM 903 CA PRO A 59 1.026 31.835 8.681 1.00 65.35 C ATOM 904 C PRO A 59 0.357 31.319 9.990 1.00 23.20 C ATOM 905 O PRO A 59 0.813 31.616 11.101 1.00 23.50 O ATOM 906 CB PRO A 59 1.938 30.764 8.034 1.00 52.33 C ATOM 907 CG PRO A 59 3.304 31.042 8.585 1.00 3.11 C ATOM 908 CD PRO A 59 3.386 32.550 8.728 1.00 73.22 C ATOM 0 HA PRO A 59 0.178 32.116 8.057 1.00 65.35 H new ATOM 0 HB2 PRO A 59 1.607 29.757 8.287 1.00 52.33 H new ATOM 0 HB3 PRO A 59 1.927 30.839 6.947 1.00 52.33 H new ATOM 0 HG2 PRO A 59 3.447 30.549 9.546 1.00 3.11 H new ATOM 0 HG3 PRO A 59 4.080 30.669 7.917 1.00 3.11 H new ATOM 0 HD2 PRO A 59 4.003 32.838 9.579 1.00 73.22 H new ATOM 0 HD3 PRO A 59 3.826 33.012 7.845 1.00 73.22 H new ATOM 916 N GLU A 60 -0.725 30.535 9.837 1.00 51.24 N ATOM 917 CA GLU A 60 -1.517 29.998 10.977 1.00 73.00 C ATOM 918 C GLU A 60 -0.778 28.841 11.692 1.00 11.01 C ATOM 919 O GLU A 60 -0.986 28.598 12.886 1.00 61.35 O ATOM 920 CB GLU A 60 -2.894 29.514 10.462 1.00 13.44 C ATOM 921 CG GLU A 60 -3.726 30.599 9.743 1.00 22.01 C ATOM 922 CD GLU A 60 -5.007 30.046 9.103 1.00 14.01 C ATOM 923 OE1 GLU A 60 -4.948 29.599 7.939 1.00 53.22 O ATOM 924 OE2 GLU A 60 -6.068 30.034 9.765 1.00 74.04 O ATOM 0 H GLU A 60 -1.081 30.252 8.924 1.00 51.24 H new ATOM 0 HA GLU A 60 -1.654 30.798 11.705 1.00 73.00 H new ATOM 0 HB2 GLU A 60 -2.739 28.680 9.778 1.00 13.44 H new ATOM 0 HB3 GLU A 60 -3.469 29.132 11.305 1.00 13.44 H new ATOM 0 HG2 GLU A 60 -3.991 31.379 10.457 1.00 22.01 H new ATOM 0 HG3 GLU A 60 -3.114 31.067 8.972 1.00 22.01 H new ATOM 931 N SER A 61 0.074 28.139 10.932 1.00 34.30 N ATOM 932 CA SER A 61 0.878 26.998 11.425 1.00 2.04 C ATOM 933 C SER A 61 2.134 26.804 10.536 1.00 25.21 C ATOM 934 O SER A 61 1.977 26.661 9.303 1.00 24.32 O ATOM 935 CB SER A 61 0.026 25.701 11.461 1.00 14.11 C ATOM 936 OG SER A 61 -0.516 25.378 10.177 1.00 30.01 O ATOM 937 OXT SER A 61 3.269 26.777 11.067 1.00 38.18 O ATOM 0 H SER A 61 0.230 28.345 9.945 1.00 34.30 H new ATOM 0 HA SER A 61 1.203 27.217 12.442 1.00 2.04 H new ATOM 0 HB2 SER A 61 0.641 24.873 11.813 1.00 14.11 H new ATOM 0 HB3 SER A 61 -0.787 25.821 12.177 1.00 14.11 H new ATOM 0 HG SER A 61 0.113 25.653 9.478 1.00 30.01 H new TER 943 SER A 61