USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 681 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 47 TYR OH : rot -96:sc= 0.276 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.164 X(o=0.11,f=-0.013) USER MOD Single : A 1 MET CE :methyl -131:sc= -0.424 (180deg=-3.48!) USER MOD Single : A 1 MET N :NH3+ -130:sc= -0.176 (180deg=-1.1) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 84:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.577 3.001 9.003 1.00 0.00 N ATOM 2 CA MET A 1 -15.916 2.777 7.722 1.00 0.00 C ATOM 3 C MET A 1 -15.682 1.288 7.484 1.00 0.00 C ATOM 4 O MET A 1 -14.862 0.664 8.158 1.00 0.00 O ATOM 5 CB MET A 1 -14.585 3.529 7.672 1.00 0.00 C ATOM 6 CG MET A 1 -14.724 5.026 7.899 1.00 0.00 C ATOM 7 SD MET A 1 -13.246 5.757 8.629 1.00 0.00 S ATOM 8 CE MET A 1 -12.131 5.736 7.228 1.00 0.00 C ATOM 0 H1 MET A 1 -17.398 3.624 8.866 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.894 2.091 9.394 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.910 3.448 9.664 1.00 0.00 H new ATOM 0 HA MET A 1 -16.568 3.155 6.934 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.915 3.116 8.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.117 3.359 6.702 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.935 5.516 6.948 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.577 5.213 8.551 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.176 5.306 7.530 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.563 5.135 6.428 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.974 6.754 6.872 1.00 0.00 H new ATOM 18 N ARG A 2 -16.408 0.726 6.523 1.00 0.00 N ATOM 19 CA ARG A 2 -16.279 -0.690 6.199 1.00 0.00 C ATOM 20 C ARG A 2 -14.966 -0.964 5.471 1.00 0.00 C ATOM 21 O ARG A 2 -14.959 -1.311 4.290 1.00 0.00 O ATOM 22 CB ARG A 2 -17.457 -1.146 5.336 1.00 0.00 C ATOM 23 CG ARG A 2 -18.658 -1.613 6.142 1.00 0.00 C ATOM 24 CD ARG A 2 -19.488 -2.625 5.369 1.00 0.00 C ATOM 25 NE ARG A 2 -20.278 -1.995 4.315 1.00 0.00 N ATOM 26 CZ ARG A 2 -21.176 -2.644 3.582 1.00 0.00 C ATOM 27 NH1 ARG A 2 -21.397 -3.935 3.788 1.00 0.00 N ATOM 28 NH2 ARG A 2 -21.856 -2.001 2.641 1.00 0.00 N ATOM 0 H ARG A 2 -17.091 1.229 5.956 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.281 -1.252 7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.762 -0.324 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -17.128 -1.957 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.319 -2.058 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.278 -0.755 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.829 -3.374 4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -20.153 -3.149 6.056 1.00 0.00 H new ATOM 0 HE ARG A 2 -20.132 -1.002 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.877 -4.432 4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -22.087 -4.431 3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -21.689 -1.008 2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -22.545 -2.500 2.079 1.00 0.00 H new ATOM 42 N LEU A 3 -13.857 -0.805 6.185 1.00 0.00 N ATOM 43 CA LEU A 3 -12.537 -1.034 5.608 1.00 0.00 C ATOM 44 C LEU A 3 -12.064 -2.459 5.879 1.00 0.00 C ATOM 45 O LEU A 3 -12.617 -3.157 6.729 1.00 0.00 O ATOM 46 CB LEU A 3 -11.529 -0.034 6.176 1.00 0.00 C ATOM 47 CG LEU A 3 -11.756 1.432 5.805 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.941 2.344 6.708 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.405 1.673 4.344 1.00 0.00 C ATOM 0 H LEU A 3 -13.846 -0.519 7.164 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.610 -0.893 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.537 -0.118 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.533 -0.323 5.841 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.812 1.663 5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.116 3.383 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.241 2.192 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.882 2.112 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.573 2.721 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.357 1.424 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.033 1.047 3.711 1.00 0.00 H new ATOM 61 N VAL A 4 -11.036 -2.885 5.151 1.00 0.00 N ATOM 62 CA VAL A 4 -10.487 -4.225 5.315 1.00 0.00 C ATOM 63 C VAL A 4 -8.979 -4.232 5.089 1.00 0.00 C ATOM 64 O VAL A 4 -8.468 -3.518 4.227 1.00 0.00 O ATOM 65 CB VAL A 4 -11.145 -5.224 4.346 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.552 -5.571 4.810 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.165 -4.661 2.933 1.00 0.00 C ATOM 0 H VAL A 4 -10.567 -2.321 4.442 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.700 -4.531 6.339 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.554 -6.140 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.001 -6.278 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.508 -6.019 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.157 -4.665 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.634 -5.380 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.732 -3.730 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.144 -4.469 2.603 1.00 0.00 H new ATOM 77 N GLU A 5 -8.273 -5.045 5.868 1.00 0.00 N ATOM 78 CA GLU A 5 -6.823 -5.145 5.752 1.00 0.00 C ATOM 79 C GLU A 5 -6.431 -6.035 4.576 1.00 0.00 C ATOM 80 O GLU A 5 -6.849 -7.190 4.492 1.00 0.00 O ATOM 81 CB GLU A 5 -6.222 -5.698 7.046 1.00 0.00 C ATOM 82 CG GLU A 5 -4.740 -6.016 6.942 1.00 0.00 C ATOM 83 CD GLU A 5 -4.304 -7.092 7.918 1.00 0.00 C ATOM 84 OE1 GLU A 5 -5.110 -8.005 8.192 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.157 -7.020 8.407 1.00 0.00 O ATOM 0 H GLU A 5 -8.681 -5.644 6.586 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.429 -4.144 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.374 -4.973 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.760 -6.603 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.512 -6.338 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.164 -5.109 7.126 1.00 0.00 H new ATOM 92 N ILE A 6 -5.627 -5.487 3.670 1.00 0.00 N ATOM 93 CA ILE A 6 -5.179 -6.231 2.499 1.00 0.00 C ATOM 94 C ILE A 6 -3.713 -6.630 2.630 1.00 0.00 C ATOM 95 O ILE A 6 -3.332 -7.750 2.294 1.00 0.00 O ATOM 96 CB ILE A 6 -5.363 -5.411 1.208 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.850 -3.983 1.407 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.826 -5.402 0.791 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.947 -3.128 0.163 1.00 0.00 C ATOM 0 H ILE A 6 -5.273 -4.532 3.724 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.794 -7.129 2.440 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.782 -5.877 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.417 -3.510 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.810 -4.021 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.940 -4.819 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.160 -6.424 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.427 -4.957 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.566 -2.129 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.356 -3.578 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.989 -3.059 -0.151 1.00 0.00 H new ATOM 111 N GLY A 7 -2.895 -5.705 3.123 1.00 0.00 N ATOM 112 CA GLY A 7 -1.480 -5.981 3.292 1.00 0.00 C ATOM 113 C GLY A 7 -0.827 -5.061 4.304 1.00 0.00 C ATOM 114 O GLY A 7 -1.468 -4.152 4.831 1.00 0.00 O ATOM 0 H GLY A 7 -3.187 -4.770 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.350 -7.016 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.975 -5.876 2.332 1.00 0.00 H new ATOM 118 N ARG A 8 0.452 -5.298 4.578 1.00 0.00 N ATOM 119 CA ARG A 8 1.191 -4.485 5.537 1.00 0.00 C ATOM 120 C ARG A 8 2.579 -4.144 5.004 1.00 0.00 C ATOM 121 O ARG A 8 3.176 -4.918 4.256 1.00 0.00 O ATOM 122 CB ARG A 8 1.313 -5.220 6.873 1.00 0.00 C ATOM 123 CG ARG A 8 2.058 -4.430 7.937 1.00 0.00 C ATOM 124 CD ARG A 8 2.594 -5.338 9.032 1.00 0.00 C ATOM 125 NE ARG A 8 3.494 -6.360 8.504 1.00 0.00 N ATOM 126 CZ ARG A 8 4.123 -7.249 9.264 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.952 -7.242 10.579 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.926 -8.149 8.709 1.00 0.00 N ATOM 0 H ARG A 8 0.998 -6.046 4.150 1.00 0.00 H new ATOM 0 HA ARG A 8 0.641 -3.557 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.314 -5.456 7.241 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.826 -6.168 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.883 -3.887 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.391 -3.687 8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.122 -4.739 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.761 -5.819 9.545 1.00 0.00 H new ATOM 0 HE ARG A 8 3.648 -6.393 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.336 -6.552 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.437 -7.926 11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.060 -8.158 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.409 -8.831 9.294 1.00 0.00 H new ATOM 142 N PHE A 9 3.087 -2.979 5.393 1.00 0.00 N ATOM 143 CA PHE A 9 4.404 -2.534 4.953 1.00 0.00 C ATOM 144 C PHE A 9 5.507 -3.313 5.664 1.00 0.00 C ATOM 145 O PHE A 9 5.419 -3.582 6.861 1.00 0.00 O ATOM 146 CB PHE A 9 4.573 -1.035 5.215 1.00 0.00 C ATOM 147 CG PHE A 9 3.651 -0.177 4.396 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.467 -0.426 3.046 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.968 0.879 4.978 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.620 0.363 2.290 1.00 0.00 C ATOM 151 CE2 PHE A 9 2.120 1.672 4.227 1.00 0.00 C ATOM 152 CZ PHE A 9 1.945 1.412 2.882 1.00 0.00 C ATOM 0 H PHE A 9 2.606 -2.326 6.012 1.00 0.00 H new ATOM 0 HA PHE A 9 4.484 -2.720 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.398 -0.837 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.604 -0.751 5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.991 -1.246 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.100 1.085 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.487 0.159 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.595 2.494 4.692 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.281 2.028 2.294 1.00 0.00 H new ATOM 162 N GLY A 10 6.546 -3.672 4.916 1.00 0.00 N ATOM 163 CA GLY A 10 7.651 -4.417 5.491 1.00 0.00 C ATOM 164 C GLY A 10 8.899 -3.571 5.650 1.00 0.00 C ATOM 165 O GLY A 10 9.177 -3.062 6.735 1.00 0.00 O ATOM 0 H GLY A 10 6.642 -3.460 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.354 -4.808 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.876 -5.275 4.858 1.00 0.00 H new ATOM 169 N ALA A 11 9.654 -3.424 4.567 1.00 0.00 N ATOM 170 CA ALA A 11 10.879 -2.634 4.591 1.00 0.00 C ATOM 171 C ALA A 11 10.843 -1.532 3.538 1.00 0.00 C ATOM 172 O ALA A 11 10.199 -1.656 2.496 1.00 0.00 O ATOM 173 CB ALA A 11 12.090 -3.531 4.377 1.00 0.00 C ATOM 0 H ALA A 11 9.439 -3.842 3.662 1.00 0.00 H new ATOM 0 HA ALA A 11 10.958 -2.162 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.998 -2.928 4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.133 -4.279 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.007 -4.030 3.411 1.00 0.00 H new ATOM 179 N PRO A 12 11.550 -0.425 3.815 1.00 0.00 N ATOM 180 CA PRO A 12 11.614 0.721 2.903 1.00 0.00 C ATOM 181 C PRO A 12 12.407 0.412 1.638 1.00 0.00 C ATOM 182 O PRO A 12 13.607 0.144 1.696 1.00 0.00 O ATOM 183 CB PRO A 12 12.325 1.794 3.732 1.00 0.00 C ATOM 184 CG PRO A 12 13.132 1.032 4.726 1.00 0.00 C ATOM 185 CD PRO A 12 12.340 -0.209 5.038 1.00 0.00 C ATOM 0 HA PRO A 12 10.626 1.019 2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.959 2.423 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.609 2.453 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.112 0.778 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.302 1.623 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.990 -1.057 5.252 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.701 -0.069 5.910 1.00 0.00 H new ATOM 193 N TYR A 13 11.729 0.453 0.496 1.00 0.00 N ATOM 194 CA TYR A 13 12.371 0.176 -0.783 1.00 0.00 C ATOM 195 C TYR A 13 13.528 1.138 -1.033 1.00 0.00 C ATOM 196 O TYR A 13 13.801 2.021 -0.220 1.00 0.00 O ATOM 197 CB TYR A 13 11.353 0.278 -1.921 1.00 0.00 C ATOM 198 CG TYR A 13 11.780 -0.439 -3.182 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.940 -1.819 -3.199 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.025 0.263 -4.355 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.330 -2.479 -4.348 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.415 -0.388 -5.509 1.00 0.00 C ATOM 203 CZ TYR A 13 12.566 -1.759 -5.501 1.00 0.00 C ATOM 204 OH TYR A 13 12.955 -2.411 -6.648 1.00 0.00 O ATOM 0 H TYR A 13 10.736 0.675 0.430 1.00 0.00 H new ATOM 0 HA TYR A 13 12.768 -0.839 -0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.401 -0.133 -1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.182 1.330 -2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.756 -2.386 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.909 1.337 -4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.449 -3.552 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.601 0.173 -6.413 1.00 0.00 H new ATOM 0 HH TYR A 13 13.079 -1.759 -7.369 1.00 0.00 H new ATOM 214 N ALA A 14 14.204 0.961 -2.163 1.00 0.00 N ATOM 215 CA ALA A 14 15.329 1.814 -2.523 1.00 0.00 C ATOM 216 C ALA A 14 15.035 3.275 -2.201 1.00 0.00 C ATOM 217 O ALA A 14 13.884 3.653 -1.978 1.00 0.00 O ATOM 218 CB ALA A 14 15.663 1.654 -3.998 1.00 0.00 C ATOM 0 H ALA A 14 13.992 0.233 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 14 16.191 1.505 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.505 2.297 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.925 0.616 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.798 1.934 -4.599 1.00 0.00 H new ATOM 224 N LEU A 15 16.082 4.093 -2.176 1.00 0.00 N ATOM 225 CA LEU A 15 15.936 5.514 -1.880 1.00 0.00 C ATOM 226 C LEU A 15 14.794 6.124 -2.687 1.00 0.00 C ATOM 227 O LEU A 15 14.145 7.072 -2.246 1.00 0.00 O ATOM 228 CB LEU A 15 17.240 6.254 -2.181 1.00 0.00 C ATOM 229 CG LEU A 15 18.516 5.617 -1.630 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.734 6.442 -2.015 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.427 5.468 -0.118 1.00 0.00 C ATOM 0 H LEU A 15 17.041 3.796 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 15 15.703 5.617 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.341 6.345 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.161 7.265 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 15 18.622 4.624 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.633 5.973 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.807 6.497 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.636 7.448 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.344 5.013 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.296 6.450 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.577 4.834 0.136 1.00 0.00 H new ATOM 243 N LYS A 16 14.552 5.571 -3.871 1.00 0.00 N ATOM 244 CA LYS A 16 13.486 6.057 -4.739 1.00 0.00 C ATOM 245 C LYS A 16 12.279 6.505 -3.920 1.00 0.00 C ATOM 246 O LYS A 16 11.556 7.420 -4.312 1.00 0.00 O ATOM 247 CB LYS A 16 13.068 4.966 -5.728 1.00 0.00 C ATOM 248 CG LYS A 16 13.920 4.926 -6.985 1.00 0.00 C ATOM 249 CD LYS A 16 13.532 6.028 -7.957 1.00 0.00 C ATOM 250 CE LYS A 16 14.649 6.313 -8.950 1.00 0.00 C ATOM 251 NZ LYS A 16 14.434 7.598 -9.671 1.00 0.00 N ATOM 0 H LYS A 16 15.080 4.786 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 16 13.866 6.915 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.122 3.997 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.027 5.122 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.971 5.030 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.809 3.956 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.630 5.739 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.295 6.937 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.603 6.347 -8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.711 5.498 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.216 7.757 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.536 7.557 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.400 8.379 -8.985 1.00 0.00 H new ATOM 265 N GLY A 17 12.068 5.854 -2.780 1.00 0.00 N ATOM 266 CA GLY A 17 10.949 6.200 -1.924 1.00 0.00 C ATOM 267 C GLY A 17 9.873 5.132 -1.915 1.00 0.00 C ATOM 268 O GLY A 17 8.766 5.360 -1.429 1.00 0.00 O ATOM 0 H GLY A 17 12.652 5.093 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.309 6.357 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.517 7.143 -2.259 1.00 0.00 H new ATOM 272 N GLY A 18 10.198 3.962 -2.457 1.00 0.00 N ATOM 273 CA GLY A 18 9.240 2.873 -2.501 1.00 0.00 C ATOM 274 C GLY A 18 9.092 2.177 -1.163 1.00 0.00 C ATOM 275 O GLY A 18 10.003 2.206 -0.335 1.00 0.00 O ATOM 0 H GLY A 18 11.108 3.749 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.270 3.259 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.553 2.148 -3.252 1.00 0.00 H new ATOM 279 N LEU A 19 7.940 1.551 -0.948 1.00 0.00 N ATOM 280 CA LEU A 19 7.674 0.845 0.301 1.00 0.00 C ATOM 281 C LEU A 19 7.178 -0.572 0.031 1.00 0.00 C ATOM 282 O LEU A 19 6.182 -0.769 -0.665 1.00 0.00 O ATOM 283 CB LEU A 19 6.641 1.609 1.131 1.00 0.00 C ATOM 284 CG LEU A 19 7.165 2.819 1.906 1.00 0.00 C ATOM 285 CD1 LEU A 19 6.012 3.698 2.366 1.00 0.00 C ATOM 286 CD2 LEU A 19 8.003 2.370 3.094 1.00 0.00 C ATOM 0 H LEU A 19 7.175 1.518 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 19 8.607 0.783 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.846 1.945 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.190 0.916 1.841 1.00 0.00 H new ATOM 0 HG LEU A 19 7.799 3.405 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.404 4.554 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.453 4.049 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.352 3.122 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.367 3.244 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.392 1.761 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.850 1.783 2.740 1.00 0.00 H new ATOM 298 N ARG A 20 7.879 -1.554 0.587 1.00 0.00 N ATOM 299 CA ARG A 20 7.510 -2.953 0.407 1.00 0.00 C ATOM 300 C ARG A 20 6.147 -3.240 1.031 1.00 0.00 C ATOM 301 O ARG A 20 6.024 -3.361 2.250 1.00 0.00 O ATOM 302 CB ARG A 20 8.569 -3.866 1.027 1.00 0.00 C ATOM 303 CG ARG A 20 9.764 -4.116 0.120 1.00 0.00 C ATOM 304 CD ARG A 20 10.796 -5.008 0.792 1.00 0.00 C ATOM 305 NE ARG A 20 12.073 -4.997 0.084 1.00 0.00 N ATOM 306 CZ ARG A 20 13.102 -5.771 0.411 1.00 0.00 C ATOM 307 NH1 ARG A 20 13.004 -6.614 1.429 1.00 0.00 N ATOM 308 NH2 ARG A 20 14.231 -5.704 -0.282 1.00 0.00 N ATOM 0 H ARG A 20 8.706 -1.407 1.166 1.00 0.00 H new ATOM 0 HA ARG A 20 7.450 -3.152 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.918 -3.423 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.110 -4.821 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.428 -4.581 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.223 -3.165 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.948 -4.676 1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.417 -6.029 0.840 1.00 0.00 H new ATOM 0 HE ARG A 20 12.181 -4.360 -0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.137 -6.670 1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.796 -7.207 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.310 -5.058 -1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.020 -6.299 -0.030 1.00 0.00 H new ATOM 322 N PHE A 21 5.127 -3.348 0.187 1.00 0.00 N ATOM 323 CA PHE A 21 3.773 -3.619 0.655 1.00 0.00 C ATOM 324 C PHE A 21 3.367 -5.057 0.342 1.00 0.00 C ATOM 325 O PHE A 21 3.269 -5.446 -0.822 1.00 0.00 O ATOM 326 CB PHE A 21 2.783 -2.646 0.012 1.00 0.00 C ATOM 327 CG PHE A 21 1.354 -3.101 0.097 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.669 -3.054 1.301 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.696 -3.575 -1.026 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.646 -3.471 1.383 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.620 -3.993 -0.950 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.291 -3.942 0.256 1.00 0.00 C ATOM 0 H PHE A 21 5.212 -3.252 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 21 3.755 -3.482 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.876 -1.674 0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.050 -2.508 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.169 -2.687 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.216 -3.619 -1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.169 -3.429 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.123 -4.359 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.318 -4.270 0.318 1.00 0.00 H new ATOM 342 N ARG A 22 3.132 -5.840 1.390 1.00 0.00 N ATOM 343 CA ARG A 22 2.738 -7.235 1.227 1.00 0.00 C ATOM 344 C ARG A 22 1.247 -7.413 1.495 1.00 0.00 C ATOM 345 O ARG A 22 0.823 -7.539 2.643 1.00 0.00 O ATOM 346 CB ARG A 22 3.547 -8.128 2.170 1.00 0.00 C ATOM 347 CG ARG A 22 3.771 -9.533 1.634 1.00 0.00 C ATOM 348 CD ARG A 22 2.600 -10.446 1.960 1.00 0.00 C ATOM 349 NE ARG A 22 2.837 -11.818 1.519 1.00 0.00 N ATOM 350 CZ ARG A 22 3.675 -12.651 2.127 1.00 0.00 C ATOM 351 NH1 ARG A 22 4.351 -12.253 3.195 1.00 0.00 N ATOM 352 NH2 ARG A 22 3.837 -13.885 1.666 1.00 0.00 N ATOM 0 H ARG A 22 3.207 -5.533 2.360 1.00 0.00 H new ATOM 0 HA ARG A 22 2.942 -7.527 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.514 -7.661 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.032 -8.191 3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.913 -9.493 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.685 -9.945 2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.421 -10.437 3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.698 -10.063 1.483 1.00 0.00 H new ATOM 0 HE ARG A 22 2.332 -12.155 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.229 -11.305 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.994 -12.894 3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.318 -14.195 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.480 -14.524 2.133 1.00 0.00 H new ATOM 366 N GLY A 23 0.455 -7.423 0.427 1.00 0.00 N ATOM 367 CA GLY A 23 -0.980 -7.586 0.568 1.00 0.00 C ATOM 368 C GLY A 23 -1.577 -8.439 -0.533 1.00 0.00 C ATOM 369 O GLY A 23 -0.885 -8.820 -1.476 1.00 0.00 O ATOM 0 H GLY A 23 0.782 -7.321 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.198 -8.041 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.456 -6.606 0.563 1.00 0.00 H new ATOM 373 N GLU A 24 -2.866 -8.741 -0.412 1.00 0.00 N ATOM 374 CA GLU A 24 -3.555 -9.557 -1.405 1.00 0.00 C ATOM 375 C GLU A 24 -3.281 -9.045 -2.816 1.00 0.00 C ATOM 376 O GLU A 24 -2.954 -7.877 -3.027 1.00 0.00 O ATOM 377 CB GLU A 24 -5.062 -9.563 -1.137 1.00 0.00 C ATOM 378 CG GLU A 24 -5.463 -10.408 0.060 1.00 0.00 C ATOM 379 CD GLU A 24 -6.885 -10.926 -0.042 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.140 -11.794 -0.903 1.00 0.00 O ATOM 381 OE2 GLU A 24 -7.742 -10.463 0.739 1.00 0.00 O ATOM 0 H GLU A 24 -3.454 -8.433 0.363 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.175 -10.576 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.398 -8.539 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.579 -9.934 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.779 -11.251 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.360 -9.815 0.969 1.00 0.00 H new ATOM 388 N PRO A 25 -3.417 -9.939 -3.807 1.00 0.00 N ATOM 389 CA PRO A 25 -3.188 -9.601 -5.215 1.00 0.00 C ATOM 390 C PRO A 25 -4.265 -8.675 -5.771 1.00 0.00 C ATOM 391 O PRO A 25 -4.109 -8.103 -6.850 1.00 0.00 O ATOM 392 CB PRO A 25 -3.236 -10.960 -5.918 1.00 0.00 C ATOM 393 CG PRO A 25 -4.074 -11.815 -5.032 1.00 0.00 C ATOM 394 CD PRO A 25 -3.804 -11.348 -3.628 1.00 0.00 C ATOM 0 HA PRO A 25 -2.250 -9.064 -5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.671 -10.876 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.237 -11.378 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.131 -11.715 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.817 -12.868 -5.149 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.686 -11.445 -2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.009 -11.927 -3.158 1.00 0.00 H new ATOM 402 N VAL A 26 -5.357 -8.532 -5.027 1.00 0.00 N ATOM 403 CA VAL A 26 -6.460 -7.674 -5.445 1.00 0.00 C ATOM 404 C VAL A 26 -6.039 -6.209 -5.466 1.00 0.00 C ATOM 405 O VAL A 26 -6.734 -5.359 -6.022 1.00 0.00 O ATOM 406 CB VAL A 26 -7.678 -7.834 -4.517 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.284 -7.583 -3.070 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.798 -6.896 -4.943 1.00 0.00 C ATOM 0 H VAL A 26 -5.502 -8.999 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.738 -7.983 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.042 -8.858 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.158 -7.701 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.517 -8.298 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.894 -6.570 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.651 -7.022 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.448 -5.865 -4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.098 -7.128 -5.965 1.00 0.00 H new ATOM 418 N VAL A 27 -4.894 -5.919 -4.855 1.00 0.00 N ATOM 419 CA VAL A 27 -4.378 -4.556 -4.804 1.00 0.00 C ATOM 420 C VAL A 27 -4.045 -4.042 -6.200 1.00 0.00 C ATOM 421 O VAL A 27 -3.998 -2.834 -6.433 1.00 0.00 O ATOM 422 CB VAL A 27 -3.120 -4.465 -3.921 1.00 0.00 C ATOM 423 CG1 VAL A 27 -1.972 -5.243 -4.546 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.730 -3.012 -3.697 1.00 0.00 C ATOM 0 H VAL A 27 -4.306 -6.610 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.163 -3.936 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.345 -4.910 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.091 -5.167 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.256 -6.290 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.745 -4.830 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.839 -2.967 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.523 -2.539 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.548 -2.488 -3.203 1.00 0.00 H new ATOM 434 N LEU A 28 -3.815 -4.967 -7.125 1.00 0.00 N ATOM 435 CA LEU A 28 -3.486 -4.608 -8.500 1.00 0.00 C ATOM 436 C LEU A 28 -4.671 -3.937 -9.186 1.00 0.00 C ATOM 437 O LEU A 28 -4.569 -3.488 -10.328 1.00 0.00 O ATOM 438 CB LEU A 28 -3.064 -5.851 -9.286 1.00 0.00 C ATOM 439 CG LEU A 28 -1.970 -6.708 -8.649 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.592 -7.860 -9.567 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.748 -5.860 -8.326 1.00 0.00 C ATOM 0 H LEU A 28 -3.850 -5.971 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.656 -3.902 -8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.944 -6.476 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.722 -5.535 -10.271 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.357 -7.123 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.812 -8.459 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.468 -8.483 -9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.225 -7.465 -10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.020 -6.487 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.360 -5.416 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.028 -5.069 -7.630 1.00 0.00 H new ATOM 453 N HIS A 29 -5.796 -3.869 -8.481 1.00 0.00 N ATOM 454 CA HIS A 29 -7.001 -3.250 -9.021 1.00 0.00 C ATOM 455 C HIS A 29 -7.381 -2.010 -8.217 1.00 0.00 C ATOM 456 O HIS A 29 -8.319 -1.293 -8.569 1.00 0.00 O ATOM 457 CB HIS A 29 -8.159 -4.249 -9.018 1.00 0.00 C ATOM 458 CG HIS A 29 -8.050 -5.295 -10.084 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.622 -5.160 -11.332 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.429 -6.497 -10.085 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.359 -6.235 -12.053 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.636 -7.062 -11.319 1.00 0.00 N ATOM 0 H HIS A 29 -5.898 -4.235 -7.534 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.796 -2.947 -10.048 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.204 -4.737 -8.045 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.096 -3.707 -9.147 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.874 -6.931 -9.267 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.680 -6.408 -13.069 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.288 -7.972 -11.620 1.00 0.00 H new ATOM 470 N LEU A 30 -6.649 -1.764 -7.137 1.00 0.00 N ATOM 471 CA LEU A 30 -6.909 -0.610 -6.282 1.00 0.00 C ATOM 472 C LEU A 30 -6.295 0.655 -6.873 1.00 0.00 C ATOM 473 O LEU A 30 -5.523 0.593 -7.828 1.00 0.00 O ATOM 474 CB LEU A 30 -6.352 -0.855 -4.879 1.00 0.00 C ATOM 475 CG LEU A 30 -7.211 -1.721 -3.957 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.487 -1.987 -2.647 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.555 -1.055 -3.699 1.00 0.00 C ATOM 0 H LEU A 30 -5.870 -2.348 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.988 -0.471 -6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.372 -1.323 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.198 0.111 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.390 -2.676 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.114 -2.605 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.550 -2.507 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.277 -1.041 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.153 -1.685 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.396 -0.086 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.080 -0.916 -4.644 1.00 0.00 H new ATOM 489 N GLU A 31 -6.643 1.800 -6.295 1.00 0.00 N ATOM 490 CA GLU A 31 -6.124 3.080 -6.764 1.00 0.00 C ATOM 491 C GLU A 31 -5.488 3.862 -5.618 1.00 0.00 C ATOM 492 O GLU A 31 -4.406 4.430 -5.765 1.00 0.00 O ATOM 493 CB GLU A 31 -7.243 3.907 -7.401 1.00 0.00 C ATOM 494 CG GLU A 31 -7.528 3.533 -8.846 1.00 0.00 C ATOM 495 CD GLU A 31 -8.501 2.376 -8.968 1.00 0.00 C ATOM 496 OE1 GLU A 31 -9.287 2.159 -8.023 1.00 0.00 O ATOM 497 OE2 GLU A 31 -8.475 1.687 -10.009 1.00 0.00 O ATOM 0 H GLU A 31 -7.281 1.868 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.358 2.880 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.154 3.782 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.976 4.963 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.933 4.400 -9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.593 3.270 -9.341 1.00 0.00 H new ATOM 504 N ARG A 32 -6.169 3.887 -4.477 1.00 0.00 N ATOM 505 CA ARG A 32 -5.673 4.600 -3.306 1.00 0.00 C ATOM 506 C ARG A 32 -5.570 3.666 -2.104 1.00 0.00 C ATOM 507 O ARG A 32 -6.199 2.609 -2.069 1.00 0.00 O ATOM 508 CB ARG A 32 -6.590 5.778 -2.973 1.00 0.00 C ATOM 509 CG ARG A 32 -7.934 5.360 -2.398 1.00 0.00 C ATOM 510 CD ARG A 32 -8.664 6.539 -1.775 1.00 0.00 C ATOM 511 NE ARG A 32 -9.262 7.408 -2.784 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.756 8.612 -2.518 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.723 9.088 -1.281 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.284 9.344 -3.491 1.00 0.00 N ATOM 0 H ARG A 32 -7.066 3.422 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.677 4.978 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.086 6.430 -2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.757 6.364 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.549 4.925 -3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.784 4.585 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.442 6.171 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.968 7.116 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.303 7.072 -3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.317 8.529 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.103 10.013 -1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.311 8.982 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.663 10.268 -3.286 1.00 0.00 H new ATOM 528 N VAL A 33 -4.770 4.064 -1.119 1.00 0.00 N ATOM 529 CA VAL A 33 -4.585 3.264 0.086 1.00 0.00 C ATOM 530 C VAL A 33 -4.767 4.110 1.341 1.00 0.00 C ATOM 531 O VAL A 33 -4.854 5.336 1.269 1.00 0.00 O ATOM 532 CB VAL A 33 -3.189 2.613 0.117 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.145 1.400 -0.799 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.121 3.624 -0.271 1.00 0.00 C ATOM 0 H VAL A 33 -4.240 4.935 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.343 2.481 0.066 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.986 2.277 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.151 0.953 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.883 0.669 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.369 1.707 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.141 3.147 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.317 3.992 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.138 4.458 0.430 1.00 0.00 H new ATOM 544 N TYR A 34 -4.825 3.447 2.491 1.00 0.00 N ATOM 545 CA TYR A 34 -4.999 4.138 3.763 1.00 0.00 C ATOM 546 C TYR A 34 -3.905 3.745 4.751 1.00 0.00 C ATOM 547 O TYR A 34 -3.740 2.569 5.077 1.00 0.00 O ATOM 548 CB TYR A 34 -6.374 3.821 4.355 1.00 0.00 C ATOM 549 CG TYR A 34 -6.544 4.297 5.780 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.884 5.430 6.238 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.366 3.613 6.668 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.035 5.868 7.540 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.525 4.045 7.971 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.857 5.172 8.402 1.00 0.00 C ATOM 555 OH TYR A 34 -7.012 5.606 9.699 1.00 0.00 O ATOM 0 H TYR A 34 -4.754 2.432 2.568 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.928 5.210 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.143 4.280 3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.536 2.744 4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.242 5.978 5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.889 2.729 6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.513 6.750 7.881 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.169 3.503 8.648 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.624 5.006 10.174 1.00 0.00 H new ATOM 565 N VAL A 35 -3.160 4.738 5.224 1.00 0.00 N ATOM 566 CA VAL A 35 -2.082 4.498 6.176 1.00 0.00 C ATOM 567 C VAL A 35 -2.606 4.484 7.607 1.00 0.00 C ATOM 568 O VAL A 35 -2.780 5.533 8.225 1.00 0.00 O ATOM 569 CB VAL A 35 -0.979 5.567 6.056 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.218 5.199 6.920 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.564 5.743 4.603 1.00 0.00 C ATOM 0 H VAL A 35 -3.283 5.717 4.964 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.660 3.522 5.937 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.377 6.516 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.987 5.966 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.094 5.128 7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.620 4.239 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.216 6.502 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.184 4.797 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.426 6.056 4.014 1.00 0.00 H new ATOM 581 N GLU A 36 -2.855 3.286 8.128 1.00 0.00 N ATOM 582 CA GLU A 36 -3.360 3.135 9.488 1.00 0.00 C ATOM 583 C GLU A 36 -2.368 3.696 10.502 1.00 0.00 C ATOM 584 O GLU A 36 -1.387 3.042 10.855 1.00 0.00 O ATOM 585 CB GLU A 36 -3.639 1.662 9.792 1.00 0.00 C ATOM 586 CG GLU A 36 -3.636 1.335 11.276 1.00 0.00 C ATOM 587 CD GLU A 36 -4.458 0.104 11.604 1.00 0.00 C ATOM 588 OE1 GLU A 36 -5.701 0.178 11.510 1.00 0.00 O ATOM 589 OE2 GLU A 36 -3.858 -0.934 11.954 1.00 0.00 O ATOM 0 H GLU A 36 -2.715 2.407 7.629 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.291 3.697 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.607 1.390 9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.890 1.048 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.609 1.181 11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.026 2.187 11.833 1.00 0.00 H new ATOM 596 N GLY A 37 -2.630 4.914 10.968 1.00 0.00 N ATOM 597 CA GLY A 37 -1.752 5.543 11.936 1.00 0.00 C ATOM 598 C GLY A 37 -1.609 7.035 11.706 1.00 0.00 C ATOM 599 O GLY A 37 -1.583 7.817 12.657 1.00 0.00 O ATOM 0 H GLY A 37 -3.435 5.476 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.139 5.369 12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.769 5.075 11.888 1.00 0.00 H new ATOM 603 N HIS A 38 -1.517 7.431 10.441 1.00 0.00 N ATOM 604 CA HIS A 38 -1.375 8.840 10.089 1.00 0.00 C ATOM 605 C HIS A 38 -2.592 9.330 9.310 1.00 0.00 C ATOM 606 O HIS A 38 -3.475 9.982 9.864 1.00 0.00 O ATOM 607 CB HIS A 38 -0.106 9.056 9.266 1.00 0.00 C ATOM 608 CG HIS A 38 1.156 8.877 10.052 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.374 9.382 9.647 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.385 8.244 11.226 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.297 9.067 10.537 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.723 8.376 11.506 1.00 0.00 N ATOM 0 H HIS A 38 -1.538 6.797 9.642 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.301 9.415 11.012 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.104 8.360 8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.123 10.061 8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.652 7.731 11.830 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.343 9.329 10.482 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.197 8.002 12.328 1.00 0.00 H new ATOM 620 N GLY A 39 -2.629 9.011 8.019 1.00 0.00 N ATOM 621 CA GLY A 39 -3.741 9.428 7.185 1.00 0.00 C ATOM 622 C GLY A 39 -3.837 8.624 5.903 1.00 0.00 C ATOM 623 O GLY A 39 -3.034 7.721 5.667 1.00 0.00 O ATOM 0 H GLY A 39 -1.910 8.472 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.670 9.325 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.632 10.485 6.940 1.00 0.00 H new ATOM 627 N TRP A 40 -4.822 8.951 5.074 1.00 0.00 N ATOM 628 CA TRP A 40 -5.021 8.251 3.810 1.00 0.00 C ATOM 629 C TRP A 40 -3.952 8.644 2.796 1.00 0.00 C ATOM 630 O TRP A 40 -3.366 9.723 2.885 1.00 0.00 O ATOM 631 CB TRP A 40 -6.410 8.555 3.248 1.00 0.00 C ATOM 632 CG TRP A 40 -7.462 7.594 3.713 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.110 7.607 4.916 1.00 0.00 C ATOM 634 CD2 TRP A 40 -7.986 6.478 2.985 1.00 0.00 C ATOM 635 NE1 TRP A 40 -9.006 6.566 4.978 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.949 5.860 3.806 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.737 5.943 1.719 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.660 4.733 3.401 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.443 4.825 1.318 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.396 4.230 2.156 1.00 0.00 C ATOM 0 H TRP A 40 -5.495 9.696 5.254 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.940 7.181 4.000 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.698 9.566 3.537 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.366 8.535 2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.943 8.329 5.702 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.614 6.354 5.769 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.006 6.395 1.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.393 4.273 4.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.257 4.402 0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.932 3.358 1.813 1.00 0.00 H new ATOM 651 N ARG A 41 -3.702 7.762 1.834 1.00 0.00 N ATOM 652 CA ARG A 41 -2.702 8.017 0.804 1.00 0.00 C ATOM 653 C ARG A 41 -3.143 7.437 -0.537 1.00 0.00 C ATOM 654 O ARG A 41 -4.033 6.589 -0.595 1.00 0.00 O ATOM 655 CB ARG A 41 -1.354 7.419 1.213 1.00 0.00 C ATOM 656 CG ARG A 41 -0.580 8.280 2.198 1.00 0.00 C ATOM 657 CD ARG A 41 0.171 9.398 1.491 1.00 0.00 C ATOM 658 NE ARG A 41 0.933 10.221 2.426 1.00 0.00 N ATOM 659 CZ ARG A 41 0.384 11.144 3.209 1.00 0.00 C ATOM 660 NH1 ARG A 41 -0.924 11.359 3.169 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.144 11.853 4.033 1.00 0.00 N ATOM 0 H ARG A 41 -4.178 6.864 1.746 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.595 9.096 0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.521 6.437 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.747 7.268 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.268 8.707 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.125 7.659 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.847 8.969 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.538 10.025 0.950 1.00 0.00 H new ATOM 0 HE ARG A 41 1.942 10.080 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.511 10.815 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.343 12.068 3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.150 11.690 4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.722 12.561 4.634 1.00 0.00 H new ATOM 675 N ALA A 42 -2.513 7.901 -1.611 1.00 0.00 N ATOM 676 CA ALA A 42 -2.839 7.427 -2.951 1.00 0.00 C ATOM 677 C ALA A 42 -1.655 6.700 -3.579 1.00 0.00 C ATOM 678 O ALA A 42 -0.499 7.048 -3.333 1.00 0.00 O ATOM 679 CB ALA A 42 -3.274 8.590 -3.830 1.00 0.00 C ATOM 0 H ALA A 42 -1.775 8.604 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.664 6.719 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.514 8.222 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.154 9.064 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.465 9.318 -3.897 1.00 0.00 H new ATOM 685 N ILE A 43 -1.949 5.690 -4.391 1.00 0.00 N ATOM 686 CA ILE A 43 -0.908 4.916 -5.054 1.00 0.00 C ATOM 687 C ILE A 43 -0.497 5.563 -6.372 1.00 0.00 C ATOM 688 O ILE A 43 -1.345 5.955 -7.173 1.00 0.00 O ATOM 689 CB ILE A 43 -1.368 3.471 -5.326 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.694 2.761 -4.010 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.298 2.710 -6.094 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.229 1.358 -4.197 1.00 0.00 C ATOM 0 H ILE A 43 -2.900 5.389 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.052 4.896 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.272 3.501 -5.935 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.794 2.719 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.428 3.351 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.638 1.691 -6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.110 3.208 -7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.622 2.686 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.438 0.916 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.147 1.394 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.488 0.753 -4.719 1.00 0.00 H new ATOM 704 N GLU A 44 0.810 5.668 -6.591 1.00 0.00 N ATOM 705 CA GLU A 44 1.333 6.267 -7.813 1.00 0.00 C ATOM 706 C GLU A 44 1.912 5.199 -8.737 1.00 0.00 C ATOM 707 O GLU A 44 1.755 5.267 -9.957 1.00 0.00 O ATOM 708 CB GLU A 44 2.407 7.305 -7.480 1.00 0.00 C ATOM 709 CG GLU A 44 1.861 8.545 -6.792 1.00 0.00 C ATOM 710 CD GLU A 44 1.380 9.595 -7.775 1.00 0.00 C ATOM 711 OE1 GLU A 44 2.234 10.301 -8.352 1.00 0.00 O ATOM 712 OE2 GLU A 44 0.152 9.710 -7.967 1.00 0.00 O ATOM 0 H GLU A 44 1.525 5.346 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 44 0.508 6.760 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.159 6.845 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.911 7.602 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.036 8.260 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.636 8.975 -6.158 1.00 0.00 H new ATOM 719 N ASP A 45 2.583 4.216 -8.148 1.00 0.00 N ATOM 720 CA ASP A 45 3.186 3.133 -8.917 1.00 0.00 C ATOM 721 C ASP A 45 3.541 1.957 -8.012 1.00 0.00 C ATOM 722 O ASP A 45 4.181 2.130 -6.974 1.00 0.00 O ATOM 723 CB ASP A 45 4.436 3.630 -9.644 1.00 0.00 C ATOM 724 CG ASP A 45 4.118 4.224 -11.002 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.354 3.593 -11.762 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.634 5.320 -11.305 1.00 0.00 O ATOM 0 H ASP A 45 2.723 4.146 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 45 2.458 2.794 -9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.936 4.380 -9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.134 2.802 -9.767 1.00 0.00 H new ATOM 731 N LEU A 46 3.123 0.762 -8.413 1.00 0.00 N ATOM 732 CA LEU A 46 3.396 -0.444 -7.639 1.00 0.00 C ATOM 733 C LEU A 46 3.594 -1.647 -8.555 1.00 0.00 C ATOM 734 O LEU A 46 3.030 -1.707 -9.648 1.00 0.00 O ATOM 735 CB LEU A 46 2.252 -0.717 -6.661 1.00 0.00 C ATOM 736 CG LEU A 46 1.011 -1.389 -7.251 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.231 -2.887 -7.389 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.210 -1.104 -6.389 1.00 0.00 C ATOM 0 H LEU A 46 2.593 0.602 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 46 4.316 -0.283 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.632 -1.344 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.950 0.230 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 46 0.834 -0.976 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.338 -3.349 -7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.080 -3.071 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.433 -3.317 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.084 -1.590 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.043 -1.490 -5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.379 -0.028 -6.342 1.00 0.00 H new ATOM 750 N TYR A 47 4.398 -2.603 -8.102 1.00 0.00 N ATOM 751 CA TYR A 47 4.670 -3.805 -8.882 1.00 0.00 C ATOM 752 C TYR A 47 5.187 -4.928 -7.988 1.00 0.00 C ATOM 753 O TYR A 47 5.936 -4.688 -7.041 1.00 0.00 O ATOM 754 CB TYR A 47 5.689 -3.504 -9.982 1.00 0.00 C ATOM 755 CG TYR A 47 6.759 -2.520 -9.564 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.752 -2.884 -8.663 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.777 -1.227 -10.072 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.730 -1.988 -8.278 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.753 -0.325 -9.694 1.00 0.00 C ATOM 760 CZ TYR A 47 8.727 -0.710 -8.797 1.00 0.00 C ATOM 761 OH TYR A 47 9.701 0.185 -8.417 1.00 0.00 O ATOM 0 H TYR A 47 4.872 -2.569 -7.200 1.00 0.00 H new ATOM 0 HA TYR A 47 3.736 -4.130 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.164 -4.435 -10.290 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.165 -3.110 -10.853 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.759 -3.885 -8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.015 -0.922 -10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.493 -2.286 -7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.753 0.676 -10.099 1.00 0.00 H new ATOM 0 HH TYR A 47 9.362 0.749 -7.691 1.00 0.00 H new ATOM 771 N ARG A 48 4.781 -6.155 -8.297 1.00 0.00 N ATOM 772 CA ARG A 48 5.202 -7.317 -7.523 1.00 0.00 C ATOM 773 C ARG A 48 6.628 -7.724 -7.884 1.00 0.00 C ATOM 774 O ARG A 48 6.862 -8.351 -8.918 1.00 0.00 O ATOM 775 CB ARG A 48 4.249 -8.489 -7.763 1.00 0.00 C ATOM 776 CG ARG A 48 4.251 -8.991 -9.198 1.00 0.00 C ATOM 777 CD ARG A 48 2.899 -9.567 -9.588 1.00 0.00 C ATOM 778 NE ARG A 48 2.757 -9.699 -11.036 1.00 0.00 N ATOM 779 CZ ARG A 48 2.356 -8.710 -11.828 1.00 0.00 C ATOM 780 NH1 ARG A 48 2.060 -7.524 -11.315 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.252 -8.907 -13.136 1.00 0.00 N ATOM 0 H ARG A 48 4.161 -6.370 -9.078 1.00 0.00 H new ATOM 0 HA ARG A 48 5.176 -7.047 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.521 -9.310 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.237 -8.185 -7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.507 -8.172 -9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.021 -9.754 -9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.773 -10.544 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.107 -8.925 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 48 2.978 -10.599 -11.462 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.140 -7.369 -10.310 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.753 -6.767 -11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.480 -9.818 -13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.944 -8.147 -13.743 1.00 0.00 H new ATOM 795 N VAL A 49 7.576 -7.363 -7.026 1.00 0.00 N ATOM 796 CA VAL A 49 8.978 -7.691 -7.254 1.00 0.00 C ATOM 797 C VAL A 49 9.298 -9.103 -6.773 1.00 0.00 C ATOM 798 O VAL A 49 9.460 -9.340 -5.577 1.00 0.00 O ATOM 799 CB VAL A 49 9.911 -6.695 -6.541 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.368 -7.030 -6.824 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.591 -5.269 -6.965 1.00 0.00 C ATOM 0 H VAL A 49 7.399 -6.843 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 49 9.146 -7.629 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 49 9.747 -6.776 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.012 -6.315 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.586 -8.036 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.551 -6.979 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.260 -4.578 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.725 -5.171 -8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.559 -5.035 -6.705 1.00 0.00 H new ATOM 811 N GLY A 50 9.388 -10.037 -7.715 1.00 0.00 N ATOM 812 CA GLY A 50 9.689 -11.413 -7.368 1.00 0.00 C ATOM 813 C GLY A 50 8.625 -12.034 -6.484 1.00 0.00 C ATOM 814 O GLY A 50 7.535 -12.362 -6.951 1.00 0.00 O ATOM 0 H GLY A 50 9.258 -9.865 -8.712 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.788 -12.001 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.651 -11.454 -6.857 1.00 0.00 H new ATOM 818 N GLU A 51 8.944 -12.196 -5.203 1.00 0.00 N ATOM 819 CA GLU A 51 8.007 -12.784 -4.253 1.00 0.00 C ATOM 820 C GLU A 51 7.509 -11.736 -3.261 1.00 0.00 C ATOM 821 O GLU A 51 7.143 -12.060 -2.132 1.00 0.00 O ATOM 822 CB GLU A 51 8.669 -13.940 -3.500 1.00 0.00 C ATOM 823 CG GLU A 51 7.679 -14.851 -2.793 1.00 0.00 C ATOM 824 CD GLU A 51 6.635 -15.420 -3.734 1.00 0.00 C ATOM 825 OE1 GLU A 51 6.952 -16.389 -4.456 1.00 0.00 O ATOM 826 OE2 GLU A 51 5.502 -14.896 -3.750 1.00 0.00 O ATOM 0 H GLU A 51 9.842 -11.929 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 51 7.153 -13.165 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.257 -14.531 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.365 -13.534 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.220 -15.670 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.182 -14.294 -1.999 1.00 0.00 H new ATOM 833 N GLU A 52 7.498 -10.479 -3.694 1.00 0.00 N ATOM 834 CA GLU A 52 7.045 -9.383 -2.844 1.00 0.00 C ATOM 835 C GLU A 52 6.432 -8.264 -3.680 1.00 0.00 C ATOM 836 O GLU A 52 6.416 -8.329 -4.910 1.00 0.00 O ATOM 837 CB GLU A 52 8.210 -8.837 -2.015 1.00 0.00 C ATOM 838 CG GLU A 52 8.896 -9.890 -1.161 1.00 0.00 C ATOM 839 CD GLU A 52 9.789 -9.286 -0.095 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.710 -8.523 -0.456 1.00 0.00 O ATOM 841 OE2 GLU A 52 9.568 -9.575 1.099 1.00 0.00 O ATOM 0 H GLU A 52 7.797 -10.194 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 52 6.280 -9.770 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.944 -8.391 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.843 -8.040 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.140 -10.515 -0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.491 -10.541 -1.802 1.00 0.00 H new ATOM 848 N LEU A 53 5.928 -7.237 -3.004 1.00 0.00 N ATOM 849 CA LEU A 53 5.313 -6.102 -3.683 1.00 0.00 C ATOM 850 C LEU A 53 5.842 -4.783 -3.128 1.00 0.00 C ATOM 851 O LEU A 53 6.077 -4.654 -1.926 1.00 0.00 O ATOM 852 CB LEU A 53 3.792 -6.158 -3.536 1.00 0.00 C ATOM 853 CG LEU A 53 3.033 -6.854 -4.666 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.781 -7.531 -4.130 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.676 -5.860 -5.761 1.00 0.00 C ATOM 0 H LEU A 53 5.933 -7.167 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 53 5.572 -6.159 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.556 -6.665 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.418 -5.138 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 53 3.680 -7.619 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.254 -8.021 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.060 -8.273 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.130 -6.784 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.136 -6.374 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.048 -5.072 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.588 -5.421 -6.166 1.00 0.00 H new ATOM 867 N VAL A 54 6.024 -3.806 -4.010 1.00 0.00 N ATOM 868 CA VAL A 54 6.521 -2.495 -3.608 1.00 0.00 C ATOM 869 C VAL A 54 5.568 -1.388 -4.044 1.00 0.00 C ATOM 870 O VAL A 54 5.517 -1.026 -5.220 1.00 0.00 O ATOM 871 CB VAL A 54 7.916 -2.219 -4.198 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.405 -0.838 -3.789 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.901 -3.293 -3.761 1.00 0.00 C ATOM 0 H VAL A 54 5.835 -3.897 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 54 6.590 -2.503 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 54 7.843 -2.245 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.392 -0.661 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.710 -0.083 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.463 -0.780 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.882 -3.082 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.972 -3.301 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.556 -4.267 -4.109 1.00 0.00 H new ATOM 883 N VAL A 55 4.813 -0.854 -3.089 1.00 0.00 N ATOM 884 CA VAL A 55 3.862 0.214 -3.374 1.00 0.00 C ATOM 885 C VAL A 55 4.487 1.584 -3.136 1.00 0.00 C ATOM 886 O VAL A 55 5.123 1.818 -2.108 1.00 0.00 O ATOM 887 CB VAL A 55 2.595 0.082 -2.510 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.698 1.298 -2.688 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.847 -1.197 -2.853 1.00 0.00 C ATOM 0 H VAL A 55 4.842 -1.144 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 55 3.587 0.121 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 55 2.894 0.031 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.807 1.187 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.238 2.196 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.405 1.384 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.954 -1.274 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.558 -1.179 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.492 -2.056 -2.669 1.00 0.00 H new ATOM 899 N HIS A 56 4.300 2.488 -4.092 1.00 0.00 N ATOM 900 CA HIS A 56 4.845 3.837 -3.986 1.00 0.00 C ATOM 901 C HIS A 56 3.746 4.841 -3.649 1.00 0.00 C ATOM 902 O HIS A 56 3.009 5.289 -4.529 1.00 0.00 O ATOM 903 CB HIS A 56 5.534 4.236 -5.291 1.00 0.00 C ATOM 904 CG HIS A 56 6.762 3.432 -5.590 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.033 3.968 -5.580 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.908 2.125 -5.906 1.00 0.00 C ATOM 907 CE1 HIS A 56 8.908 3.024 -5.879 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.251 1.896 -6.081 1.00 0.00 N ATOM 0 H HIS A 56 3.775 2.311 -4.949 1.00 0.00 H new ATOM 0 HA HIS A 56 5.579 3.844 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.828 4.125 -6.114 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.803 5.291 -5.242 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.262 4.941 -5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.116 1.397 -6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.978 3.153 -5.947 1.00 0.00 H new ATOM 916 N LEU A 57 3.642 5.191 -2.372 1.00 0.00 N ATOM 917 CA LEU A 57 2.633 6.142 -1.919 1.00 0.00 C ATOM 918 C LEU A 57 2.951 7.550 -2.411 1.00 0.00 C ATOM 919 O LEU A 57 4.113 7.894 -2.628 1.00 0.00 O ATOM 920 CB LEU A 57 2.543 6.131 -0.392 1.00 0.00 C ATOM 921 CG LEU A 57 2.237 4.779 0.253 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.386 4.862 1.764 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.838 4.313 -0.122 1.00 0.00 C ATOM 0 H LEU A 57 4.244 4.831 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 57 1.672 5.840 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.488 6.497 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.771 6.839 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 57 2.954 4.049 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.164 3.890 2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.407 5.149 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.693 5.606 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.638 3.349 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.106 5.043 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.766 4.212 -1.205 1.00 0.00 H new ATOM 935 N ALA A 58 1.912 8.360 -2.584 1.00 0.00 N ATOM 936 CA ALA A 58 2.082 9.732 -3.046 1.00 0.00 C ATOM 937 C ALA A 58 2.765 10.588 -1.985 1.00 0.00 C ATOM 938 O ALA A 58 2.389 10.561 -0.814 1.00 0.00 O ATOM 939 CB ALA A 58 0.736 10.332 -3.424 1.00 0.00 C ATOM 0 H ALA A 58 0.944 8.090 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 58 2.721 9.715 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.878 11.357 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.285 9.741 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.079 10.328 -2.554 1.00 0.00 H new ATOM 945 N GLY A 59 3.773 11.348 -2.403 1.00 0.00 N ATOM 946 CA GLY A 59 4.494 12.201 -1.476 1.00 0.00 C ATOM 947 C GLY A 59 5.824 11.607 -1.056 1.00 0.00 C ATOM 948 O GLY A 59 6.859 12.270 -1.128 1.00 0.00 O ATOM 0 H GLY A 59 4.103 11.388 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.664 13.173 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.880 12.372 -0.592 1.00 0.00 H new ATOM 952 N VAL A 60 5.797 10.354 -0.613 1.00 0.00 N ATOM 953 CA VAL A 60 7.009 9.670 -0.179 1.00 0.00 C ATOM 954 C VAL A 60 7.990 9.503 -1.334 1.00 0.00 C ATOM 955 O VAL A 60 7.852 8.594 -2.154 1.00 0.00 O ATOM 956 CB VAL A 60 6.691 8.285 0.415 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.971 7.572 0.822 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.744 8.418 1.598 1.00 0.00 C ATOM 0 H VAL A 60 4.949 9.792 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 60 7.463 10.292 0.592 1.00 0.00 H new ATOM 0 HB VAL A 60 6.198 7.685 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.726 6.595 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.610 7.443 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.496 8.165 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.530 7.430 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.208 9.035 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.815 8.884 1.270 1.00 0.00 H new ATOM 968 N THR A 61 8.982 10.385 -1.394 1.00 0.00 N ATOM 969 CA THR A 61 9.986 10.336 -2.449 1.00 0.00 C ATOM 970 C THR A 61 11.387 10.185 -1.868 1.00 0.00 C ATOM 971 O THR A 61 12.383 10.400 -2.560 1.00 0.00 O ATOM 972 CB THR A 61 9.941 11.601 -3.327 1.00 0.00 C ATOM 973 OG1 THR A 61 10.126 12.767 -2.517 1.00 0.00 O ATOM 974 CG2 THR A 61 8.616 11.698 -4.069 1.00 0.00 C ATOM 0 H THR A 61 9.112 11.143 -0.724 1.00 0.00 H new ATOM 0 HA THR A 61 9.755 9.467 -3.065 1.00 0.00 H new ATOM 0 HB THR A 61 10.746 11.537 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.098 13.566 -3.083 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.608 12.599 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.492 10.823 -4.707 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.798 11.741 -3.349 1.00 0.00 H new ATOM 982 N ASP A 62 11.458 9.812 -0.595 1.00 0.00 N ATOM 983 CA ASP A 62 12.738 9.630 0.078 1.00 0.00 C ATOM 984 C ASP A 62 12.652 8.514 1.115 1.00 0.00 C ATOM 985 O ASP A 62 11.590 8.263 1.686 1.00 0.00 O ATOM 986 CB ASP A 62 13.176 10.933 0.748 1.00 0.00 C ATOM 987 CG ASP A 62 12.021 11.665 1.402 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.320 12.418 0.695 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.818 11.485 2.621 1.00 0.00 O ATOM 0 H ASP A 62 10.644 9.630 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 62 13.478 9.350 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.935 10.715 1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.640 11.582 0.005 1.00 0.00 H new ATOM 994 N ARG A 63 13.777 7.847 1.353 1.00 0.00 N ATOM 995 CA ARG A 63 13.828 6.756 2.320 1.00 0.00 C ATOM 996 C ARG A 63 13.275 7.201 3.671 1.00 0.00 C ATOM 997 O ARG A 63 12.601 6.435 4.361 1.00 0.00 O ATOM 998 CB ARG A 63 15.265 6.258 2.483 1.00 0.00 C ATOM 999 CG ARG A 63 15.360 4.823 2.973 1.00 0.00 C ATOM 1000 CD ARG A 63 16.639 4.154 2.494 1.00 0.00 C ATOM 1001 NE ARG A 63 17.052 3.066 3.376 1.00 0.00 N ATOM 1002 CZ ARG A 63 17.417 3.244 4.641 1.00 0.00 C ATOM 1003 NH1 ARG A 63 17.420 4.460 5.169 1.00 0.00 N ATOM 1004 NH2 ARG A 63 17.780 2.203 5.380 1.00 0.00 N ATOM 0 H ARG A 63 14.665 8.043 0.890 1.00 0.00 H new ATOM 0 HA ARG A 63 13.209 5.941 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.780 6.341 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.788 6.908 3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.325 4.806 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.498 4.258 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.490 3.767 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.436 4.895 2.436 1.00 0.00 H new ATOM 0 HE ARG A 63 17.061 2.118 3.000 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.142 5.262 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.701 4.593 6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.779 1.266 4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.060 2.340 6.351 1.00 0.00 H new ATOM 1018 N THR A 64 13.566 8.443 4.044 1.00 0.00 N ATOM 1019 CA THR A 64 13.100 8.989 5.312 1.00 0.00 C ATOM 1020 C THR A 64 11.580 8.929 5.412 1.00 0.00 C ATOM 1021 O THR A 64 11.030 8.178 6.218 1.00 0.00 O ATOM 1022 CB THR A 64 13.558 10.448 5.498 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.986 10.527 5.418 1.00 0.00 O ATOM 1024 CG2 THR A 64 13.088 10.997 6.836 1.00 0.00 C ATOM 0 H THR A 64 14.123 9.090 3.485 1.00 0.00 H new ATOM 0 HA THR A 64 13.537 8.375 6.099 1.00 0.00 H new ATOM 0 HB THR A 64 13.116 11.048 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.269 11.458 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.424 12.028 6.944 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.999 10.963 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.504 10.394 7.643 1.00 0.00 H new ATOM 1032 N LEU A 65 10.906 9.724 4.588 1.00 0.00 N ATOM 1033 CA LEU A 65 9.448 9.760 4.582 1.00 0.00 C ATOM 1034 C LEU A 65 8.868 8.349 4.596 1.00 0.00 C ATOM 1035 O LEU A 65 7.858 8.089 5.249 1.00 0.00 O ATOM 1036 CB LEU A 65 8.942 10.520 3.355 1.00 0.00 C ATOM 1037 CG LEU A 65 9.057 12.043 3.414 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.828 12.650 2.038 1.00 0.00 C ATOM 1039 CD2 LEU A 65 8.069 12.614 4.422 1.00 0.00 C ATOM 0 H LEU A 65 11.346 10.352 3.916 1.00 0.00 H new ATOM 0 HA LEU A 65 9.118 10.277 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.492 10.168 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.895 10.261 3.198 1.00 0.00 H new ATOM 0 HG LEU A 65 10.066 12.299 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.914 13.735 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.574 12.266 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.832 12.385 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.165 13.699 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.054 12.347 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.280 12.205 5.410 1.00 0.00 H new ATOM 1051 N ALA A 66 9.515 7.442 3.873 1.00 0.00 N ATOM 1052 CA ALA A 66 9.066 6.057 3.805 1.00 0.00 C ATOM 1053 C ALA A 66 9.209 5.367 5.158 1.00 0.00 C ATOM 1054 O ALA A 66 8.258 4.773 5.665 1.00 0.00 O ATOM 1055 CB ALA A 66 9.846 5.300 2.740 1.00 0.00 C ATOM 0 H ALA A 66 10.352 7.641 3.326 1.00 0.00 H new ATOM 0 HA ALA A 66 8.010 6.056 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.500 4.267 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.690 5.772 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.908 5.318 2.985 1.00 0.00 H new ATOM 1061 N GLU A 67 10.403 5.450 5.736 1.00 0.00 N ATOM 1062 CA GLU A 67 10.669 4.832 7.030 1.00 0.00 C ATOM 1063 C GLU A 67 9.593 5.207 8.044 1.00 0.00 C ATOM 1064 O GLU A 67 9.194 4.391 8.874 1.00 0.00 O ATOM 1065 CB GLU A 67 12.045 5.255 7.549 1.00 0.00 C ATOM 1066 CG GLU A 67 13.171 4.335 7.108 1.00 0.00 C ATOM 1067 CD GLU A 67 14.509 4.722 7.708 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.661 4.611 8.942 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.404 5.136 6.941 1.00 0.00 O ATOM 0 H GLU A 67 11.201 5.939 5.329 1.00 0.00 H new ATOM 0 HA GLU A 67 10.656 3.750 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.258 6.267 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.019 5.287 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.931 3.311 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.246 4.353 6.021 1.00 0.00 H new ATOM 1076 N ALA A 68 9.127 6.450 7.971 1.00 0.00 N ATOM 1077 CA ALA A 68 8.096 6.934 8.881 1.00 0.00 C ATOM 1078 C ALA A 68 6.799 6.152 8.708 1.00 0.00 C ATOM 1079 O ALA A 68 6.040 5.970 9.660 1.00 0.00 O ATOM 1080 CB ALA A 68 7.852 8.420 8.659 1.00 0.00 C ATOM 0 H ALA A 68 9.447 7.140 7.291 1.00 0.00 H new ATOM 0 HA ALA A 68 8.447 6.782 9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.080 8.768 9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.775 8.971 8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.527 8.586 7.632 1.00 0.00 H new ATOM 1086 N LEU A 69 6.550 5.691 7.487 1.00 0.00 N ATOM 1087 CA LEU A 69 5.343 4.927 7.189 1.00 0.00 C ATOM 1088 C LEU A 69 5.644 3.433 7.136 1.00 0.00 C ATOM 1089 O LEU A 69 4.894 2.659 6.540 1.00 0.00 O ATOM 1090 CB LEU A 69 4.742 5.385 5.859 1.00 0.00 C ATOM 1091 CG LEU A 69 4.267 6.838 5.803 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.794 7.190 4.401 1.00 0.00 C ATOM 1093 CD2 LEU A 69 3.158 7.076 6.818 1.00 0.00 C ATOM 0 H LEU A 69 7.167 5.833 6.688 1.00 0.00 H new ATOM 0 HA LEU A 69 4.623 5.106 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.486 5.236 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.897 4.738 5.623 1.00 0.00 H new ATOM 0 HG LEU A 69 5.107 7.486 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.460 8.227 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.615 7.059 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.968 6.537 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.832 8.115 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.316 6.420 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.530 6.864 7.820 1.00 0.00 H new ATOM 1105 N VAL A 70 6.745 3.033 7.765 1.00 0.00 N ATOM 1106 CA VAL A 70 7.143 1.630 7.792 1.00 0.00 C ATOM 1107 C VAL A 70 6.691 0.956 9.083 1.00 0.00 C ATOM 1108 O VAL A 70 7.008 1.415 10.179 1.00 0.00 O ATOM 1109 CB VAL A 70 8.669 1.477 7.653 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.113 0.101 8.124 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.099 1.722 6.214 1.00 0.00 C ATOM 0 H VAL A 70 7.377 3.660 8.262 1.00 0.00 H new ATOM 0 HA VAL A 70 6.658 1.147 6.944 1.00 0.00 H new ATOM 0 HB VAL A 70 9.151 2.223 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.194 0.012 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.839 -0.031 9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.625 -0.665 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.180 1.610 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.610 1.000 5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.816 2.732 5.916 1.00 0.00 H new ATOM 1121 N GLY A 71 5.949 -0.138 8.945 1.00 0.00 N ATOM 1122 CA GLY A 71 5.466 -0.859 10.108 1.00 0.00 C ATOM 1123 C GLY A 71 3.955 -0.823 10.226 1.00 0.00 C ATOM 1124 O GLY A 71 3.354 -1.684 10.870 1.00 0.00 O ATOM 0 H GLY A 71 5.674 -0.538 8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.798 -1.896 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.908 -0.430 11.007 1.00 0.00 H new ATOM 1128 N LEU A 72 3.338 0.176 9.605 1.00 0.00 N ATOM 1129 CA LEU A 72 1.887 0.323 9.645 1.00 0.00 C ATOM 1130 C LEU A 72 1.218 -0.611 8.641 1.00 0.00 C ATOM 1131 O LEU A 72 1.882 -1.199 7.788 1.00 0.00 O ATOM 1132 CB LEU A 72 1.493 1.771 9.353 1.00 0.00 C ATOM 1133 CG LEU A 72 2.062 2.827 10.302 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.882 4.220 9.720 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.399 2.728 11.668 1.00 0.00 C ATOM 0 H LEU A 72 3.820 0.897 9.068 1.00 0.00 H new ATOM 0 HA LEU A 72 1.546 0.056 10.645 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.809 2.015 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.405 1.842 9.373 1.00 0.00 H new ATOM 0 HG LEU A 72 3.129 2.642 10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.293 4.958 10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.403 4.285 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.821 4.417 9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.816 3.487 12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.326 2.887 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.580 1.739 12.089 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.100 -0.740 8.748 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.859 -1.601 7.849 1.00 0.00 C ATOM 1149 C ARG A 73 -1.695 -0.772 6.879 1.00 0.00 C ATOM 1150 O ARG A 73 -2.169 0.312 7.221 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.767 -2.537 8.650 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.011 -3.460 9.591 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.849 -3.824 10.807 1.00 0.00 C ATOM 1154 NE ARG A 73 -2.943 -4.730 10.466 1.00 0.00 N ATOM 1155 CZ ARG A 73 -3.567 -5.494 11.355 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -3.208 -5.463 12.631 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -4.554 -6.293 10.968 1.00 0.00 N ATOM 0 H ARG A 73 -0.665 -0.259 9.448 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.151 -2.197 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.471 -1.939 9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.355 -3.140 7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.725 -4.368 9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.089 -2.976 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.213 -4.291 11.559 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.256 -2.916 11.252 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.244 -4.778 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.450 -4.851 12.933 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.690 -6.051 13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.833 -6.320 9.987 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.033 -6.880 11.651 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.872 -1.288 5.667 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.651 -0.596 4.647 1.00 0.00 C ATOM 1173 C VAL A 74 -4.067 -1.154 4.564 1.00 0.00 C ATOM 1174 O VAL A 74 -4.262 -2.359 4.402 1.00 0.00 O ATOM 1175 CB VAL A 74 -1.985 -0.706 3.262 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.721 0.155 2.246 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.518 -0.313 3.344 1.00 0.00 C ATOM 0 H VAL A 74 -1.486 -2.183 5.367 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.694 0.453 4.939 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.041 -1.743 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.237 0.065 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.756 -0.178 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.699 1.196 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.063 -0.397 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.436 0.716 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.002 -0.976 4.038 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.052 -0.271 4.676 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.452 -0.675 4.616 1.00 0.00 C ATOM 1189 C TYR A 75 -7.082 -0.260 3.290 1.00 0.00 C ATOM 1190 O TYR A 75 -6.625 0.680 2.640 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.232 -0.062 5.779 1.00 0.00 C ATOM 1192 CG TYR A 75 -6.880 -0.655 7.124 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.655 -0.389 7.724 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.773 -1.481 7.797 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.329 -0.930 8.952 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.455 -2.025 9.026 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.232 -1.747 9.600 1.00 0.00 C ATOM 1198 OH TYR A 75 -5.911 -2.286 10.824 1.00 0.00 O ATOM 0 H TYR A 75 -4.907 0.730 4.809 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.494 -1.761 4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.045 1.012 5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.299 -0.196 5.600 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.946 0.252 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.732 -1.701 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.372 -0.714 9.403 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.160 -2.665 9.535 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.118 -1.639 11.531 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.137 -0.967 2.896 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.833 -0.671 1.650 1.00 0.00 C ATOM 1210 C ALA A 76 -10.308 -0.377 1.902 1.00 0.00 C ATOM 1211 O ALA A 76 -10.847 -0.719 2.954 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.682 -1.827 0.674 1.00 0.00 C ATOM 0 H ALA A 76 -8.528 -1.749 3.422 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.382 0.220 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.207 -1.592 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.625 -1.988 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.106 -2.731 1.112 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.955 0.258 0.930 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.368 0.598 1.049 1.00 0.00 C ATOM 1220 C GLU A 77 -13.186 -0.089 -0.040 1.00 0.00 C ATOM 1221 O GLU A 77 -12.949 0.113 -1.231 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.559 2.114 0.965 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.865 2.597 1.574 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.041 2.146 3.011 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.402 0.969 3.222 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -13.818 2.968 3.923 1.00 0.00 O ATOM 0 H GLU A 77 -10.524 0.547 0.052 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.719 0.248 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.728 2.605 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.520 2.419 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.900 3.686 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.699 2.228 0.977 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.150 -0.903 0.377 1.00 0.00 N ATOM 1234 CA VAL A 78 -15.005 -1.621 -0.561 1.00 0.00 C ATOM 1235 C VAL A 78 -15.682 -0.661 -1.533 1.00 0.00 C ATOM 1236 O VAL A 78 -16.219 -1.076 -2.559 1.00 0.00 O ATOM 1237 CB VAL A 78 -16.085 -2.436 0.174 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.820 -3.347 -0.798 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.466 -3.241 1.307 1.00 0.00 C ATOM 0 H VAL A 78 -14.359 -1.082 1.359 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.362 -2.303 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.808 -1.743 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.579 -3.915 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.297 -2.745 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.111 -4.035 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.244 -3.811 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.721 -3.925 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.990 -2.564 2.016 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.652 0.626 -1.202 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.261 1.647 -2.046 1.00 0.00 C ATOM 1251 C ALA A 79 -15.572 1.717 -3.404 1.00 0.00 C ATOM 1252 O ALA A 79 -16.162 2.167 -4.387 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.212 3.001 -1.355 1.00 0.00 C ATOM 0 H ALA A 79 -15.212 0.986 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.303 1.374 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.670 3.754 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.756 2.948 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.175 3.273 -1.160 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.322 1.272 -3.452 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.553 1.284 -4.691 1.00 0.00 C ATOM 1261 C ASP A 80 -13.410 -0.125 -5.257 1.00 0.00 C ATOM 1262 O ASP A 80 -13.255 -0.308 -6.465 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.170 1.893 -4.452 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.265 1.769 -5.662 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -11.632 2.296 -6.733 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.190 1.146 -5.538 1.00 0.00 O ATOM 0 H ASP A 80 -13.819 0.898 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.091 1.894 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.280 2.945 -4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.702 1.400 -3.600 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.464 -1.119 -4.377 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.340 -2.513 -4.788 1.00 0.00 C ATOM 1273 C LEU A 81 -14.502 -2.920 -5.688 1.00 0.00 C ATOM 1274 O LEU A 81 -15.602 -2.372 -5.610 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.286 -3.424 -3.561 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.139 -3.168 -2.584 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.379 -3.901 -1.273 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.811 -3.589 -3.197 1.00 0.00 C ATOM 0 H LEU A 81 -13.593 -0.985 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.413 -2.619 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.227 -3.326 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.221 -4.457 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.098 -2.099 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.552 -3.706 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.309 -3.551 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.449 -4.972 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.006 -3.399 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.841 -4.652 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.633 -3.018 -4.108 1.00 0.00 H new ATOM 1290 N PRO A 82 -14.256 -3.908 -6.562 1.00 0.00 N ATOM 1291 CA PRO A 82 -15.271 -4.413 -7.491 1.00 0.00 C ATOM 1292 C PRO A 82 -16.376 -5.186 -6.779 1.00 0.00 C ATOM 1293 O PRO A 82 -16.272 -5.520 -5.599 1.00 0.00 O ATOM 1294 CB PRO A 82 -14.477 -5.342 -8.413 1.00 0.00 C ATOM 1295 CG PRO A 82 -13.306 -5.772 -7.599 1.00 0.00 C ATOM 1296 CD PRO A 82 -12.969 -4.607 -6.710 1.00 0.00 C ATOM 0 HA PRO A 82 -15.782 -3.605 -8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -15.077 -6.197 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.161 -4.825 -9.319 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.545 -6.657 -7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.462 -6.033 -8.237 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.577 -4.936 -5.747 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.212 -3.964 -7.159 1.00 0.00 H new ATOM 1304 N PRO A 83 -17.461 -5.478 -7.512 1.00 0.00 N ATOM 1305 CA PRO A 83 -18.606 -6.216 -6.970 1.00 0.00 C ATOM 1306 C PRO A 83 -18.276 -7.679 -6.697 1.00 0.00 C ATOM 1307 O PRO A 83 -17.588 -8.329 -7.486 1.00 0.00 O ATOM 1308 CB PRO A 83 -19.657 -6.103 -8.078 1.00 0.00 C ATOM 1309 CG PRO A 83 -18.871 -5.898 -9.326 1.00 0.00 C ATOM 1310 CD PRO A 83 -17.654 -5.111 -8.925 1.00 0.00 C ATOM 0 HA PRO A 83 -18.933 -5.815 -6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.267 -7.004 -8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.336 -5.270 -7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.589 -6.852 -9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.456 -5.359 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.787 -5.375 -9.531 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.811 -4.039 -9.044 1.00 0.00 H new ATOM 1318 N LEU A 84 -18.770 -8.193 -5.576 1.00 0.00 N ATOM 1319 CA LEU A 84 -18.527 -9.581 -5.198 1.00 0.00 C ATOM 1320 C LEU A 84 -19.275 -10.536 -6.124 1.00 0.00 C ATOM 1321 O LEU A 84 -18.922 -11.709 -6.237 1.00 0.00 O ATOM 1322 CB LEU A 84 -18.955 -9.819 -3.749 1.00 0.00 C ATOM 1323 CG LEU A 84 -20.458 -9.755 -3.474 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -20.782 -10.384 -2.128 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -20.949 -8.315 -3.524 1.00 0.00 C ATOM 0 H LEU A 84 -19.341 -7.669 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 84 -17.458 -9.775 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.591 -10.799 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.459 -9.081 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.974 -10.321 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.856 -10.329 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.467 -11.428 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.255 -9.847 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -22.021 -8.289 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.426 -7.726 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.752 -7.898 -4.511 1.00 0.00 H new ATOM 1337 N GLU A 85 -20.307 -10.023 -6.786 1.00 0.00 N ATOM 1338 CA GLU A 85 -21.103 -10.830 -7.703 1.00 0.00 C ATOM 1339 C GLU A 85 -20.257 -11.312 -8.878 1.00 0.00 C ATOM 1340 O GLU A 85 -20.555 -12.336 -9.492 1.00 0.00 O ATOM 1341 CB GLU A 85 -22.300 -10.028 -8.217 1.00 0.00 C ATOM 1342 CG GLU A 85 -23.197 -10.810 -9.162 1.00 0.00 C ATOM 1343 CD GLU A 85 -24.628 -10.308 -9.157 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -24.835 -9.107 -8.886 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -25.540 -11.117 -9.427 1.00 0.00 O ATOM 0 H GLU A 85 -20.611 -9.053 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 85 -21.466 -11.701 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -22.891 -9.688 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -21.937 -9.137 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -22.797 -10.745 -10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.184 -11.863 -8.881 1.00 0.00 H new TER 1352 GLU A 85