USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 452 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00224) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.307 K(o=-0.31,f=-1.3) USER MOD Single : A 33 HIS : no HD1:sc=-0.00795 X(o=-0.0079,f=-0.0031) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -149:sc= 0.659 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= -0.74 (180deg=-0.77) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc=-0.000826 (180deg=-0.109) USER MOD Single : A 53 SER OG : rot 99:sc= -0.504 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.048) USER MOD Single : A 55 SER OG : rot 42:sc= 0.0412 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.396 62.932 -34.014 1.00 0.00 N ATOM 2 CA MET A 1 -29.904 62.265 -32.789 1.00 0.00 C ATOM 3 C MET A 1 -28.975 62.531 -31.610 1.00 0.00 C ATOM 4 O MET A 1 -29.389 63.090 -30.593 1.00 0.00 O ATOM 5 CB MET A 1 -30.034 60.748 -32.997 1.00 0.00 C ATOM 6 CG MET A 1 -31.104 60.333 -33.995 1.00 0.00 C ATOM 7 SD MET A 1 -31.251 58.539 -34.130 1.00 0.00 S ATOM 8 CE MET A 1 -32.546 58.384 -35.362 1.00 0.00 C ATOM 0 H1 MET A 1 -30.050 62.754 -34.803 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.325 63.956 -33.847 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.457 62.554 -34.251 1.00 0.00 H new ATOM 0 HA MET A 1 -30.890 62.678 -32.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.073 60.357 -33.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.251 60.281 -32.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 -32.063 60.753 -33.692 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.868 60.751 -34.973 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.746 57.329 -35.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.453 58.866 -34.999 1.00 0.00 H new ATOM 0 HE3 MET A 1 -32.227 58.863 -36.288 1.00 0.00 H new ATOM 20 N GLN A 2 -27.716 62.121 -31.756 1.00 0.00 N ATOM 21 CA GLN A 2 -26.713 62.277 -30.706 1.00 0.00 C ATOM 22 C GLN A 2 -25.416 62.808 -31.307 1.00 0.00 C ATOM 23 O GLN A 2 -25.082 62.495 -32.453 1.00 0.00 O ATOM 24 CB GLN A 2 -26.459 60.934 -30.003 1.00 0.00 C ATOM 25 CG GLN A 2 -25.519 61.031 -28.805 1.00 0.00 C ATOM 26 CD GLN A 2 -25.192 59.675 -28.202 1.00 0.00 C ATOM 27 OE1 GLN A 2 -25.146 58.665 -28.905 1.00 0.00 O ATOM 28 NE2 GLN A 2 -24.959 59.641 -26.902 1.00 0.00 N ATOM 0 H GLN A 2 -27.364 61.673 -32.602 1.00 0.00 H new ATOM 0 HA GLN A 2 -27.083 62.989 -29.968 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -27.412 60.522 -29.672 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -26.042 60.231 -30.724 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -24.594 61.519 -29.113 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -25.974 61.663 -28.042 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -25.006 60.499 -26.353 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -24.732 58.757 -26.448 1.00 0.00 H new ATOM 37 N LYS A 3 -24.695 63.617 -30.546 1.00 0.00 N ATOM 38 CA LYS A 3 -23.443 64.203 -31.014 1.00 0.00 C ATOM 39 C LYS A 3 -22.251 63.547 -30.328 1.00 0.00 C ATOM 40 O LYS A 3 -22.382 62.974 -29.243 1.00 0.00 O ATOM 41 CB LYS A 3 -23.420 65.715 -30.746 1.00 0.00 C ATOM 42 CG LYS A 3 -24.565 66.479 -31.406 1.00 0.00 C ATOM 43 CD LYS A 3 -24.445 67.984 -31.178 1.00 0.00 C ATOM 44 CE LYS A 3 -25.598 68.747 -31.818 1.00 0.00 C ATOM 45 NZ LYS A 3 -25.433 70.215 -31.674 1.00 0.00 N ATOM 0 H LYS A 3 -24.955 63.885 -29.597 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.374 64.030 -32.088 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -23.457 65.884 -29.670 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -22.473 66.122 -31.100 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -24.571 66.272 -32.476 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -25.516 66.125 -31.008 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -24.423 68.189 -30.108 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -23.501 68.340 -31.590 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -25.662 68.490 -32.875 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -26.537 68.440 -31.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.237 70.700 -32.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -25.397 70.463 -30.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -24.549 70.512 -32.135 1.00 0.00 H new ATOM 59 N ARG A 4 -21.093 63.629 -30.974 1.00 0.00 N ATOM 60 CA ARG A 4 -19.842 63.170 -30.383 1.00 0.00 C ATOM 61 C ARG A 4 -19.384 64.210 -29.359 1.00 0.00 C ATOM 62 O ARG A 4 -18.793 65.230 -29.722 1.00 0.00 O ATOM 63 CB ARG A 4 -18.783 62.981 -31.485 1.00 0.00 C ATOM 64 CG ARG A 4 -17.600 62.094 -31.099 1.00 0.00 C ATOM 65 CD ARG A 4 -18.013 60.633 -30.906 1.00 0.00 C ATOM 66 NE ARG A 4 -18.591 60.386 -29.584 1.00 0.00 N ATOM 67 CZ ARG A 4 -19.699 59.677 -29.356 1.00 0.00 C ATOM 68 NH1 ARG A 4 -20.447 59.240 -30.364 1.00 0.00 N ATOM 69 NH2 ARG A 4 -20.067 59.428 -28.109 1.00 0.00 N ATOM 0 H ARG A 4 -20.995 64.012 -31.914 1.00 0.00 H new ATOM 0 HA ARG A 4 -19.984 62.210 -29.886 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.267 62.554 -32.363 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -18.404 63.961 -31.775 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.835 62.154 -31.873 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -17.152 62.468 -30.178 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -18.737 60.359 -31.673 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -17.143 59.991 -31.045 1.00 0.00 H new ATOM 0 HE ARG A 4 -18.112 60.785 -28.777 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -20.177 59.445 -31.326 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -21.291 58.699 -30.176 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -19.506 59.777 -27.332 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -20.912 58.887 -27.925 1.00 0.00 H new ATOM 83 N GLU A 5 -19.694 63.972 -28.087 1.00 0.00 N ATOM 84 CA GLU A 5 -19.504 64.984 -27.050 1.00 0.00 C ATOM 85 C GLU A 5 -18.271 64.704 -26.195 1.00 0.00 C ATOM 86 O GLU A 5 -17.230 65.344 -26.359 1.00 0.00 O ATOM 87 CB GLU A 5 -20.753 65.059 -26.163 1.00 0.00 C ATOM 88 CG GLU A 5 -22.034 65.358 -26.934 1.00 0.00 C ATOM 89 CD GLU A 5 -23.260 65.401 -26.038 1.00 0.00 C ATOM 90 OE1 GLU A 5 -23.453 66.420 -25.344 1.00 0.00 O ATOM 91 OE2 GLU A 5 -24.034 64.420 -26.026 1.00 0.00 O ATOM 0 H GLU A 5 -20.077 63.089 -27.749 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.346 65.941 -27.546 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.870 64.113 -25.634 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.606 65.831 -25.407 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.930 66.314 -27.447 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.177 64.598 -27.702 1.00 0.00 H new ATOM 98 N LEU A 6 -18.393 63.748 -25.285 1.00 0.00 N ATOM 99 CA LEU A 6 -17.344 63.476 -24.311 1.00 0.00 C ATOM 100 C LEU A 6 -16.256 62.594 -24.915 1.00 0.00 C ATOM 101 O LEU A 6 -16.388 61.369 -24.959 1.00 0.00 O ATOM 102 CB LEU A 6 -17.937 62.819 -23.056 1.00 0.00 C ATOM 103 CG LEU A 6 -18.997 63.657 -22.317 1.00 0.00 C ATOM 104 CD1 LEU A 6 -19.546 62.899 -21.109 1.00 0.00 C ATOM 105 CD2 LEU A 6 -18.422 65.009 -21.891 1.00 0.00 C ATOM 0 H LEU A 6 -19.211 63.145 -25.200 1.00 0.00 H new ATOM 0 HA LEU A 6 -16.889 64.424 -24.025 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.384 61.866 -23.340 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -17.125 62.596 -22.364 1.00 0.00 H new ATOM 0 HG LEU A 6 -19.821 63.840 -23.006 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -20.293 63.512 -20.604 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.005 61.968 -21.442 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -18.732 62.676 -20.419 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.189 65.583 -21.371 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.574 64.850 -21.225 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -18.093 65.559 -22.773 1.00 0.00 H new ATOM 117 N TYR A 7 -15.199 63.231 -25.408 1.00 0.00 N ATOM 118 CA TYR A 7 -14.044 62.515 -25.935 1.00 0.00 C ATOM 119 C TYR A 7 -13.433 61.641 -24.843 1.00 0.00 C ATOM 120 O TYR A 7 -13.251 62.093 -23.709 1.00 0.00 O ATOM 121 CB TYR A 7 -13.004 63.506 -26.482 1.00 0.00 C ATOM 122 CG TYR A 7 -13.479 64.282 -27.699 1.00 0.00 C ATOM 123 CD1 TYR A 7 -14.380 65.337 -27.573 1.00 0.00 C ATOM 124 CD2 TYR A 7 -13.043 63.947 -28.977 1.00 0.00 C ATOM 125 CE1 TYR A 7 -14.819 66.037 -28.680 1.00 0.00 C ATOM 126 CE2 TYR A 7 -13.479 64.644 -30.087 1.00 0.00 C ATOM 127 CZ TYR A 7 -14.368 65.684 -29.934 1.00 0.00 C ATOM 128 OH TYR A 7 -14.806 66.380 -31.038 1.00 0.00 O ATOM 0 H TYR A 7 -15.119 64.247 -25.453 1.00 0.00 H new ATOM 0 HA TYR A 7 -14.368 61.874 -26.755 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -12.738 64.211 -25.694 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -12.097 62.960 -26.742 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.741 65.612 -26.593 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -12.351 63.127 -29.103 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -15.512 66.857 -28.564 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -13.124 64.374 -31.071 1.00 0.00 H new ATOM 0 HH TYR A 7 -14.393 66.007 -31.845 1.00 0.00 H new ATOM 138 N GLU A 8 -13.141 60.389 -25.189 1.00 0.00 N ATOM 139 CA GLU A 8 -12.614 59.417 -24.233 1.00 0.00 C ATOM 140 C GLU A 8 -11.344 59.932 -23.559 1.00 0.00 C ATOM 141 O GLU A 8 -10.521 60.602 -24.189 1.00 0.00 O ATOM 142 CB GLU A 8 -12.329 58.083 -24.936 1.00 0.00 C ATOM 143 CG GLU A 8 -11.350 58.196 -26.103 1.00 0.00 C ATOM 144 CD GLU A 8 -10.978 56.845 -26.687 1.00 0.00 C ATOM 145 OE1 GLU A 8 -11.746 56.320 -27.521 1.00 0.00 O ATOM 146 OE2 GLU A 8 -9.920 56.297 -26.311 1.00 0.00 O ATOM 0 H GLU A 8 -13.262 60.021 -26.133 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.369 59.264 -23.462 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.931 57.377 -24.207 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.268 57.668 -25.301 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.791 58.816 -26.884 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.446 58.703 -25.766 1.00 0.00 H new ATOM 153 N ILE A 9 -11.199 59.631 -22.273 1.00 0.00 N ATOM 154 CA ILE A 9 -10.000 60.002 -21.529 1.00 0.00 C ATOM 155 C ILE A 9 -8.918 58.934 -21.708 1.00 0.00 C ATOM 156 O ILE A 9 -9.081 57.786 -21.288 1.00 0.00 O ATOM 157 CB ILE A 9 -10.301 60.229 -20.020 1.00 0.00 C ATOM 158 CG1 ILE A 9 -10.970 58.992 -19.393 1.00 0.00 C ATOM 159 CG2 ILE A 9 -11.183 61.464 -19.840 1.00 0.00 C ATOM 160 CD1 ILE A 9 -11.280 59.149 -17.917 1.00 0.00 C ATOM 0 H ILE A 9 -11.898 59.131 -21.723 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.638 60.948 -21.932 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.354 60.392 -19.505 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.895 58.779 -19.929 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.318 58.129 -19.528 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.388 61.614 -18.780 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.669 62.339 -20.237 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.122 61.321 -20.374 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.750 58.238 -17.545 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.356 59.331 -17.368 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.958 59.991 -17.775 1.00 0.00 H new ATOM 172 N ALA A 10 -7.823 59.309 -22.358 1.00 0.00 N ATOM 173 CA ALA A 10 -6.755 58.368 -22.672 1.00 0.00 C ATOM 174 C ALA A 10 -5.725 58.314 -21.546 1.00 0.00 C ATOM 175 O ALA A 10 -4.719 59.027 -21.574 1.00 0.00 O ATOM 176 CB ALA A 10 -6.091 58.735 -23.996 1.00 0.00 C ATOM 0 H ALA A 10 -7.651 60.262 -22.679 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.195 57.376 -22.771 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.296 58.022 -24.214 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.832 58.708 -24.795 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.670 59.738 -23.926 1.00 0.00 H new ATOM 182 N ASP A 11 -5.998 57.485 -20.547 1.00 0.00 N ATOM 183 CA ASP A 11 -5.088 57.291 -19.422 1.00 0.00 C ATOM 184 C ASP A 11 -5.370 55.948 -18.754 1.00 0.00 C ATOM 185 O ASP A 11 -6.483 55.426 -18.846 1.00 0.00 O ATOM 186 CB ASP A 11 -5.227 58.436 -18.406 1.00 0.00 C ATOM 187 CG ASP A 11 -4.267 58.303 -17.233 1.00 0.00 C ATOM 188 OD1 ASP A 11 -3.062 58.589 -17.404 1.00 0.00 O ATOM 189 OD2 ASP A 11 -4.709 57.911 -16.132 1.00 0.00 O ATOM 0 H ASP A 11 -6.852 56.930 -20.492 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.064 57.293 -19.796 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.049 59.386 -18.910 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.250 58.461 -18.031 1.00 0.00 H new ATOM 194 N GLY A 12 -4.357 55.392 -18.099 1.00 0.00 N ATOM 195 CA GLY A 12 -4.489 54.095 -17.456 1.00 0.00 C ATOM 196 C GLY A 12 -3.403 53.139 -17.904 1.00 0.00 C ATOM 197 O GLY A 12 -3.677 51.999 -18.289 1.00 0.00 O ATOM 0 H GLY A 12 -3.437 55.821 -18.001 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.443 54.218 -16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.466 53.671 -17.687 1.00 0.00 H new ATOM 201 N LYS A 13 -2.165 53.612 -17.862 1.00 0.00 N ATOM 202 CA LYS A 13 -1.015 52.837 -18.313 1.00 0.00 C ATOM 203 C LYS A 13 -0.184 52.366 -17.124 1.00 0.00 C ATOM 204 O LYS A 13 0.537 53.158 -16.510 1.00 0.00 O ATOM 205 CB LYS A 13 -0.152 53.682 -19.260 1.00 0.00 C ATOM 206 CG LYS A 13 -0.893 54.144 -20.512 1.00 0.00 C ATOM 207 CD LYS A 13 -0.068 55.124 -21.343 1.00 0.00 C ATOM 208 CE LYS A 13 0.229 56.408 -20.573 1.00 0.00 C ATOM 209 NZ LYS A 13 0.960 57.397 -21.404 1.00 0.00 N ATOM 0 H LYS A 13 -1.929 54.542 -17.515 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.377 51.959 -18.849 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.215 54.556 -18.722 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.721 53.102 -19.558 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.147 53.277 -21.122 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.832 54.616 -20.223 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.869 54.652 -21.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.606 55.366 -22.260 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.706 56.847 -20.225 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.819 56.172 -19.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.142 58.254 -20.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.864 56.988 -21.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.387 57.643 -22.236 1.00 0.00 H new ATOM 223 N LEU A 14 -0.314 51.080 -16.793 1.00 0.00 N ATOM 224 CA LEU A 14 0.466 50.456 -15.725 1.00 0.00 C ATOM 225 C LEU A 14 0.227 51.166 -14.391 1.00 0.00 C ATOM 226 O LEU A 14 1.167 51.472 -13.650 1.00 0.00 O ATOM 227 CB LEU A 14 1.962 50.452 -16.088 1.00 0.00 C ATOM 228 CG LEU A 14 2.307 49.788 -17.432 1.00 0.00 C ATOM 229 CD1 LEU A 14 3.815 49.798 -17.668 1.00 0.00 C ATOM 230 CD2 LEU A 14 1.752 48.366 -17.493 1.00 0.00 C ATOM 0 H LEU A 14 -0.962 50.444 -17.257 1.00 0.00 H new ATOM 0 HA LEU A 14 0.138 49.422 -15.615 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.318 51.482 -16.108 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.510 49.941 -15.297 1.00 0.00 H new ATOM 0 HG LEU A 14 1.838 50.366 -18.228 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.037 49.324 -18.624 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.174 50.827 -17.681 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.312 49.251 -16.867 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.008 47.916 -18.452 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.183 47.772 -16.687 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.668 48.394 -17.383 1.00 0.00 H new ATOM 242 N VAL A 15 -1.042 51.412 -14.094 1.00 0.00 N ATOM 243 CA VAL A 15 -1.436 52.090 -12.865 1.00 0.00 C ATOM 244 C VAL A 15 -1.056 51.260 -11.636 1.00 0.00 C ATOM 245 O VAL A 15 -1.297 50.053 -11.594 1.00 0.00 O ATOM 246 CB VAL A 15 -2.962 52.370 -12.849 1.00 0.00 C ATOM 247 CG1 VAL A 15 -3.387 53.018 -11.533 1.00 0.00 C ATOM 248 CG2 VAL A 15 -3.359 53.244 -14.041 1.00 0.00 C ATOM 0 H VAL A 15 -1.824 51.149 -14.694 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.902 53.040 -12.831 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.484 51.417 -12.934 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.461 53.203 -11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.146 52.352 -10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.858 53.962 -11.405 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.433 53.430 -14.014 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.825 54.193 -13.991 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.103 52.732 -14.969 1.00 0.00 H new ATOM 258 N ARG A 16 -0.443 51.915 -10.654 1.00 0.00 N ATOM 259 CA ARG A 16 -0.129 51.295 -9.371 1.00 0.00 C ATOM 260 C ARG A 16 -1.430 50.952 -8.639 1.00 0.00 C ATOM 261 O ARG A 16 -2.042 51.811 -8.003 1.00 0.00 O ATOM 262 CB ARG A 16 0.739 52.257 -8.540 1.00 0.00 C ATOM 263 CG ARG A 16 0.973 51.827 -7.094 1.00 0.00 C ATOM 264 CD ARG A 16 1.847 50.586 -6.976 1.00 0.00 C ATOM 265 NE ARG A 16 2.070 50.242 -5.572 1.00 0.00 N ATOM 266 CZ ARG A 16 2.966 49.356 -5.131 1.00 0.00 C ATOM 267 NH1 ARG A 16 3.752 48.711 -5.981 1.00 0.00 N ATOM 268 NH2 ARG A 16 3.071 49.121 -3.831 1.00 0.00 N ATOM 0 H ARG A 16 -0.150 52.890 -10.725 1.00 0.00 H new ATOM 0 HA ARG A 16 0.430 50.372 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.706 52.367 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.268 53.240 -8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.440 52.647 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.012 51.634 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.371 49.750 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.803 50.760 -7.469 1.00 0.00 H new ATOM 0 HE ARG A 16 1.496 50.716 -4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.676 48.890 -6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.433 48.036 -5.634 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.469 49.616 -3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.754 48.445 -3.488 1.00 0.00 H new ATOM 282 N LYS A 17 -1.865 49.703 -8.763 1.00 0.00 N ATOM 283 CA LYS A 17 -3.153 49.277 -8.221 1.00 0.00 C ATOM 284 C LYS A 17 -2.976 48.376 -7.001 1.00 0.00 C ATOM 285 O LYS A 17 -2.320 47.337 -7.071 1.00 0.00 O ATOM 286 CB LYS A 17 -3.967 48.536 -9.294 1.00 0.00 C ATOM 287 CG LYS A 17 -4.313 49.386 -10.511 1.00 0.00 C ATOM 288 CD LYS A 17 -5.122 48.597 -11.540 1.00 0.00 C ATOM 289 CE LYS A 17 -5.500 49.456 -12.742 1.00 0.00 C ATOM 290 NZ LYS A 17 -6.327 48.708 -13.725 1.00 0.00 N ATOM 0 H LYS A 17 -1.344 48.965 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.690 50.173 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.404 47.662 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.891 48.170 -8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.881 50.261 -10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.396 49.752 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.543 47.737 -11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.027 48.209 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.048 50.334 -12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.594 49.815 -13.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.561 49.329 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.795 47.884 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.204 48.387 -13.268 1.00 0.00 H new ATOM 304 N HIS A 18 -3.554 48.793 -5.881 1.00 0.00 N ATOM 305 CA HIS A 18 -3.667 47.954 -4.689 1.00 0.00 C ATOM 306 C HIS A 18 -5.142 47.778 -4.348 1.00 0.00 C ATOM 307 O HIS A 18 -6.008 48.325 -5.034 1.00 0.00 O ATOM 308 CB HIS A 18 -2.890 48.554 -3.502 1.00 0.00 C ATOM 309 CG HIS A 18 -1.452 48.119 -3.440 1.00 0.00 C ATOM 310 ND1 HIS A 18 -0.804 47.823 -2.260 1.00 0.00 N ATOM 311 CD2 HIS A 18 -0.544 47.914 -4.424 1.00 0.00 C ATOM 312 CE1 HIS A 18 0.436 47.457 -2.521 1.00 0.00 C ATOM 313 NE2 HIS A 18 0.621 47.501 -3.827 1.00 0.00 N ATOM 0 H HIS A 18 -3.959 49.723 -5.771 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.223 46.980 -4.895 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.929 49.641 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.386 48.271 -2.574 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.219 47.878 -1.330 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.707 48.050 -5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.176 47.169 -1.789 1.00 0.00 H new ATOM 322 N ARG A 19 -5.428 47.013 -3.306 1.00 0.00 N ATOM 323 CA ARG A 19 -6.807 46.683 -2.957 1.00 0.00 C ATOM 324 C ARG A 19 -7.502 47.826 -2.211 1.00 0.00 C ATOM 325 O ARG A 19 -6.904 48.493 -1.361 1.00 0.00 O ATOM 326 CB ARG A 19 -6.837 45.379 -2.146 1.00 0.00 C ATOM 327 CG ARG A 19 -6.764 44.132 -3.028 1.00 0.00 C ATOM 328 CD ARG A 19 -6.204 42.923 -2.289 1.00 0.00 C ATOM 329 NE ARG A 19 -4.755 43.028 -2.102 1.00 0.00 N ATOM 330 CZ ARG A 19 -3.901 42.012 -2.263 1.00 0.00 C ATOM 331 NH1 ARG A 19 -4.345 40.818 -2.641 1.00 0.00 N ATOM 332 NH2 ARG A 19 -2.603 42.200 -2.069 1.00 0.00 N ATOM 0 H ARG A 19 -4.727 46.608 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.367 46.536 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.002 45.373 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.751 45.346 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.761 43.896 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.141 44.342 -3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.691 42.832 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.434 42.016 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.373 43.934 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.341 40.674 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.690 40.045 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.256 43.120 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.951 41.425 -2.192 1.00 0.00 H new ATOM 346 N PHE A 20 -8.766 48.053 -2.565 1.00 0.00 N ATOM 347 CA PHE A 20 -9.601 49.072 -1.931 1.00 0.00 C ATOM 348 C PHE A 20 -10.669 48.406 -1.064 1.00 0.00 C ATOM 349 O PHE A 20 -10.718 47.178 -0.965 1.00 0.00 O ATOM 350 CB PHE A 20 -10.266 49.959 -2.997 1.00 0.00 C ATOM 351 CG PHE A 20 -9.287 50.733 -3.847 1.00 0.00 C ATOM 352 CD1 PHE A 20 -8.739 50.170 -4.994 1.00 0.00 C ATOM 353 CD2 PHE A 20 -8.910 52.022 -3.496 1.00 0.00 C ATOM 354 CE1 PHE A 20 -7.843 50.880 -5.772 1.00 0.00 C ATOM 355 CE2 PHE A 20 -8.014 52.734 -4.270 1.00 0.00 C ATOM 356 CZ PHE A 20 -7.478 52.161 -5.408 1.00 0.00 C ATOM 0 H PHE A 20 -9.242 47.533 -3.303 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.970 49.698 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.879 49.333 -3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.938 50.661 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.016 49.166 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.322 52.474 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.429 50.433 -6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.733 53.737 -3.986 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.774 52.715 -6.012 1.00 0.00 H new ATOM 366 N CYS A 21 -11.511 49.215 -0.427 1.00 0.00 N ATOM 367 CA CYS A 21 -12.587 48.698 0.416 1.00 0.00 C ATOM 368 C CYS A 21 -13.920 48.760 -0.334 1.00 0.00 C ATOM 369 O CYS A 21 -14.161 49.710 -1.072 1.00 0.00 O ATOM 370 CB CYS A 21 -12.660 49.514 1.706 1.00 0.00 C ATOM 371 SG CYS A 21 -13.899 48.934 2.905 1.00 0.00 S ATOM 0 H CYS A 21 -11.469 50.233 -0.478 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.383 47.657 0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.680 49.502 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.878 50.551 1.452 1.00 0.00 H new ATOM 376 N PRO A 22 -14.809 47.760 -0.151 1.00 0.00 N ATOM 377 CA PRO A 22 -16.070 47.680 -0.909 1.00 0.00 C ATOM 378 C PRO A 22 -16.956 48.914 -0.715 1.00 0.00 C ATOM 379 O PRO A 22 -17.435 49.505 -1.684 1.00 0.00 O ATOM 380 CB PRO A 22 -16.756 46.416 -0.357 1.00 0.00 C ATOM 381 CG PRO A 22 -16.081 46.140 0.947 1.00 0.00 C ATOM 382 CD PRO A 22 -14.668 46.634 0.794 1.00 0.00 C ATOM 0 HA PRO A 22 -15.889 47.638 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.825 46.577 -0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.645 45.576 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.587 46.653 1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.099 45.075 1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.248 46.957 1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.010 45.859 0.402 1.00 0.00 H new ATOM 390 N ARG A 23 -17.161 49.309 0.542 1.00 0.00 N ATOM 391 CA ARG A 23 -18.055 50.422 0.858 1.00 0.00 C ATOM 392 C ARG A 23 -17.304 51.756 0.821 1.00 0.00 C ATOM 393 O ARG A 23 -17.630 52.640 0.030 1.00 0.00 O ATOM 394 CB ARG A 23 -18.694 50.223 2.239 1.00 0.00 C ATOM 395 CG ARG A 23 -19.250 48.823 2.485 1.00 0.00 C ATOM 396 CD ARG A 23 -20.307 48.420 1.464 1.00 0.00 C ATOM 397 NE ARG A 23 -20.847 47.090 1.756 1.00 0.00 N ATOM 398 CZ ARG A 23 -21.555 46.355 0.899 1.00 0.00 C ATOM 399 NH1 ARG A 23 -21.809 46.804 -0.322 1.00 0.00 N ATOM 400 NH2 ARG A 23 -22.005 45.167 1.268 1.00 0.00 N ATOM 0 H ARG A 23 -16.722 48.876 1.355 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.840 50.445 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.950 50.444 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.500 50.946 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.433 48.102 2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.682 48.779 3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.115 49.152 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -19.872 48.427 0.465 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.668 46.699 2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -21.462 47.718 -0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.352 46.235 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -21.810 44.816 2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -22.547 44.602 0.615 1.00 0.00 H new ATOM 414 N CYS A 24 -16.282 51.889 1.668 1.00 0.00 N ATOM 415 CA CYS A 24 -15.543 53.155 1.795 1.00 0.00 C ATOM 416 C CYS A 24 -14.669 53.431 0.562 1.00 0.00 C ATOM 417 O CYS A 24 -13.996 54.459 0.512 1.00 0.00 O ATOM 418 CB CYS A 24 -14.640 53.158 3.042 1.00 0.00 C ATOM 419 SG CYS A 24 -15.233 52.174 4.449 1.00 0.00 S ATOM 0 H CYS A 24 -15.945 51.142 2.275 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.296 53.938 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.655 52.790 2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.512 54.189 3.372 1.00 0.00 H new ATOM 424 N GLY A 25 -14.681 52.503 -0.407 1.00 0.00 N ATOM 425 CA GLY A 25 -13.783 52.556 -1.562 1.00 0.00 C ATOM 426 C GLY A 25 -13.466 53.962 -2.046 1.00 0.00 C ATOM 427 O GLY A 25 -12.317 54.400 -1.940 1.00 0.00 O ATOM 0 H GLY A 25 -15.311 51.701 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.850 52.054 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.231 51.995 -2.382 1.00 0.00 H new ATOM 431 N PRO A 26 -14.458 54.691 -2.586 1.00 0.00 N ATOM 432 CA PRO A 26 -14.259 56.071 -3.046 1.00 0.00 C ATOM 433 C PRO A 26 -13.699 56.972 -1.940 1.00 0.00 C ATOM 434 O PRO A 26 -14.447 57.466 -1.086 1.00 0.00 O ATOM 435 CB PRO A 26 -15.670 56.520 -3.463 1.00 0.00 C ATOM 436 CG PRO A 26 -16.401 55.254 -3.756 1.00 0.00 C ATOM 437 CD PRO A 26 -15.841 54.229 -2.806 1.00 0.00 C ATOM 0 HA PRO A 26 -13.531 56.135 -3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.157 57.083 -2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.636 57.169 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -17.474 55.379 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.255 54.948 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.406 54.193 -1.875 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.867 53.227 -3.234 1.00 0.00 H new ATOM 445 N GLY A 27 -12.379 57.140 -1.935 1.00 0.00 N ATOM 446 CA GLY A 27 -11.727 58.026 -0.987 1.00 0.00 C ATOM 447 C GLY A 27 -10.993 57.279 0.110 1.00 0.00 C ATOM 448 O GLY A 27 -10.050 57.811 0.702 1.00 0.00 O ATOM 0 H GLY A 27 -11.743 56.671 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.022 58.664 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.473 58.681 -0.537 1.00 0.00 H new ATOM 452 N VAL A 28 -11.411 56.043 0.386 1.00 0.00 N ATOM 453 CA VAL A 28 -10.811 55.251 1.458 1.00 0.00 C ATOM 454 C VAL A 28 -10.358 53.891 0.936 1.00 0.00 C ATOM 455 O VAL A 28 -11.166 52.962 0.798 1.00 0.00 O ATOM 456 CB VAL A 28 -11.795 55.025 2.636 1.00 0.00 C ATOM 457 CG1 VAL A 28 -11.087 54.392 3.835 1.00 0.00 C ATOM 458 CG2 VAL A 28 -12.481 56.331 3.041 1.00 0.00 C ATOM 0 H VAL A 28 -12.161 55.570 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.954 55.819 1.820 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.563 54.332 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.802 54.246 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.668 53.429 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.286 55.049 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -13.165 56.141 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.729 57.056 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.039 56.727 2.193 1.00 0.00 H new ATOM 468 N PHE A 29 -9.070 53.780 0.644 1.00 0.00 N ATOM 469 CA PHE A 29 -8.490 52.523 0.191 1.00 0.00 C ATOM 470 C PHE A 29 -8.395 51.535 1.354 1.00 0.00 C ATOM 471 O PHE A 29 -8.693 51.876 2.503 1.00 0.00 O ATOM 472 CB PHE A 29 -7.104 52.761 -0.427 1.00 0.00 C ATOM 473 CG PHE A 29 -6.103 53.381 0.520 1.00 0.00 C ATOM 474 CD1 PHE A 29 -6.041 54.759 0.683 1.00 0.00 C ATOM 475 CD2 PHE A 29 -5.219 52.588 1.240 1.00 0.00 C ATOM 476 CE1 PHE A 29 -5.123 55.331 1.547 1.00 0.00 C ATOM 477 CE2 PHE A 29 -4.302 53.154 2.104 1.00 0.00 C ATOM 478 CZ PHE A 29 -4.252 54.527 2.256 1.00 0.00 C ATOM 0 H PHE A 29 -8.404 54.549 0.713 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.138 52.098 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.709 51.810 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.213 53.408 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.718 55.392 0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.249 51.515 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.088 56.404 1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.624 52.524 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.533 54.971 2.928 1.00 0.00 H new ATOM 488 N LEU A 30 -7.988 50.311 1.050 1.00 0.00 N ATOM 489 CA LEU A 30 -7.806 49.286 2.065 1.00 0.00 C ATOM 490 C LEU A 30 -6.346 49.261 2.498 1.00 0.00 C ATOM 491 O LEU A 30 -5.460 49.038 1.673 1.00 0.00 O ATOM 492 CB LEU A 30 -8.229 47.921 1.501 1.00 0.00 C ATOM 493 CG LEU A 30 -8.181 46.742 2.486 1.00 0.00 C ATOM 494 CD1 LEU A 30 -9.129 46.970 3.659 1.00 0.00 C ATOM 495 CD2 LEU A 30 -8.519 45.435 1.767 1.00 0.00 C ATOM 0 H LEU A 30 -7.776 50.003 0.101 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.426 49.508 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.246 48.008 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.587 47.686 0.652 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.168 46.670 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.075 46.121 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.841 47.879 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.149 47.073 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.481 44.609 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.520 45.502 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.797 45.261 0.969 1.00 0.00 H new ATOM 507 N ALA A 31 -6.096 49.527 3.778 1.00 0.00 N ATOM 508 CA ALA A 31 -4.739 49.510 4.315 1.00 0.00 C ATOM 509 C ALA A 31 -4.123 48.129 4.135 1.00 0.00 C ATOM 510 O ALA A 31 -4.244 47.255 4.998 1.00 0.00 O ATOM 511 CB ALA A 31 -4.728 49.925 5.782 1.00 0.00 C ATOM 0 H ALA A 31 -6.816 49.757 4.462 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.138 50.233 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.705 49.904 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.129 50.934 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.342 49.234 6.360 1.00 0.00 H new ATOM 517 N GLU A 32 -3.501 47.935 2.982 1.00 0.00 N ATOM 518 CA GLU A 32 -2.924 46.657 2.609 1.00 0.00 C ATOM 519 C GLU A 32 -1.543 46.492 3.240 1.00 0.00 C ATOM 520 O GLU A 32 -0.599 47.216 2.900 1.00 0.00 O ATOM 521 CB GLU A 32 -2.838 46.564 1.079 1.00 0.00 C ATOM 522 CG GLU A 32 -2.419 45.195 0.562 1.00 0.00 C ATOM 523 CD GLU A 32 -2.358 45.137 -0.955 1.00 0.00 C ATOM 524 OE1 GLU A 32 -3.343 45.533 -1.613 1.00 0.00 O ATOM 525 OE2 GLU A 32 -1.334 44.670 -1.494 1.00 0.00 O ATOM 0 H GLU A 32 -3.383 48.663 2.278 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.560 45.852 2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.809 46.819 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.128 47.309 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.442 44.940 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.122 44.444 0.923 1.00 0.00 H new ATOM 532 N HIS A 33 -1.441 45.559 4.179 1.00 0.00 N ATOM 533 CA HIS A 33 -0.188 45.265 4.864 1.00 0.00 C ATOM 534 C HIS A 33 0.233 43.828 4.588 1.00 0.00 C ATOM 535 O HIS A 33 -0.604 42.979 4.280 1.00 0.00 O ATOM 536 CB HIS A 33 -0.335 45.472 6.378 1.00 0.00 C ATOM 537 CG HIS A 33 -0.559 46.896 6.789 1.00 0.00 C ATOM 538 ND1 HIS A 33 0.469 47.758 7.098 1.00 0.00 N ATOM 539 CD2 HIS A 33 -1.704 47.603 6.960 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.031 48.930 7.446 1.00 0.00 C ATOM 541 NE2 HIS A 33 -1.344 48.863 7.370 1.00 0.00 N ATOM 0 H HIS A 33 -2.225 44.984 4.487 1.00 0.00 H new ATOM 0 HA HIS A 33 0.574 45.947 4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.169 44.868 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.563 45.101 6.872 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.710 47.243 6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.541 49.797 7.743 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.989 49.624 7.582 1.00 0.00 H new ATOM 550 N ALA A 34 1.527 43.560 4.718 1.00 0.00 N ATOM 551 CA ALA A 34 2.062 42.215 4.528 1.00 0.00 C ATOM 552 C ALA A 34 1.454 41.243 5.540 1.00 0.00 C ATOM 553 O ALA A 34 1.360 40.041 5.291 1.00 0.00 O ATOM 554 CB ALA A 34 3.581 42.228 4.646 1.00 0.00 C ATOM 0 H ALA A 34 2.230 44.260 4.956 1.00 0.00 H new ATOM 0 HA ALA A 34 1.794 41.876 3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.966 41.218 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.999 42.888 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.866 42.587 5.635 1.00 0.00 H new ATOM 560 N ASP A 35 1.045 41.783 6.686 1.00 0.00 N ATOM 561 CA ASP A 35 0.425 40.989 7.743 1.00 0.00 C ATOM 562 C ASP A 35 -1.051 40.738 7.458 1.00 0.00 C ATOM 563 O ASP A 35 -1.574 39.660 7.749 1.00 0.00 O ATOM 564 CB ASP A 35 0.552 41.700 9.101 1.00 0.00 C ATOM 565 CG ASP A 35 1.958 41.649 9.674 1.00 0.00 C ATOM 566 OD1 ASP A 35 2.777 42.531 9.339 1.00 0.00 O ATOM 567 OD2 ASP A 35 2.246 40.728 10.470 1.00 0.00 O ATOM 0 H ASP A 35 1.133 42.775 6.907 1.00 0.00 H new ATOM 0 HA ASP A 35 0.949 40.034 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.250 42.741 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.139 41.243 9.809 1.00 0.00 H new ATOM 572 N ARG A 36 -1.724 41.730 6.883 1.00 0.00 N ATOM 573 CA ARG A 36 -3.182 41.709 6.809 1.00 0.00 C ATOM 574 C ARG A 36 -3.712 42.915 6.044 1.00 0.00 C ATOM 575 O ARG A 36 -2.948 43.753 5.569 1.00 0.00 O ATOM 576 CB ARG A 36 -3.753 41.738 8.235 1.00 0.00 C ATOM 577 CG ARG A 36 -3.441 43.042 8.958 1.00 0.00 C ATOM 578 CD ARG A 36 -3.721 42.971 10.452 1.00 0.00 C ATOM 579 NE ARG A 36 -2.672 42.243 11.175 1.00 0.00 N ATOM 580 CZ ARG A 36 -2.161 42.637 12.345 1.00 0.00 C ATOM 581 NH1 ARG A 36 -2.610 43.741 12.931 1.00 0.00 N ATOM 582 NH2 ARG A 36 -1.207 41.924 12.929 1.00 0.00 N ATOM 0 H ARG A 36 -1.288 42.552 6.465 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.488 40.803 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.833 41.598 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.344 40.903 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.393 43.297 8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.033 43.845 8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.804 43.981 10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.681 42.482 10.618 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.311 41.384 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.347 44.290 12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.218 44.040 13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.862 41.073 12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.818 42.227 13.822 1.00 0.00 H new ATOM 596 N TYR A 37 -5.029 43.000 5.958 1.00 0.00 N ATOM 597 CA TYR A 37 -5.711 44.144 5.373 1.00 0.00 C ATOM 598 C TYR A 37 -6.494 44.856 6.471 1.00 0.00 C ATOM 599 O TYR A 37 -7.084 44.200 7.333 1.00 0.00 O ATOM 600 CB TYR A 37 -6.657 43.680 4.259 1.00 0.00 C ATOM 601 CG TYR A 37 -5.986 42.787 3.229 1.00 0.00 C ATOM 602 CD1 TYR A 37 -5.364 43.323 2.108 1.00 0.00 C ATOM 603 CD2 TYR A 37 -5.972 41.405 3.386 1.00 0.00 C ATOM 604 CE1 TYR A 37 -4.741 42.509 1.181 1.00 0.00 C ATOM 605 CE2 TYR A 37 -5.354 40.586 2.464 1.00 0.00 C ATOM 606 CZ TYR A 37 -4.744 41.141 1.362 1.00 0.00 C ATOM 607 OH TYR A 37 -4.121 40.323 0.445 1.00 0.00 O ATOM 0 H TYR A 37 -5.660 42.273 6.294 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.983 44.829 4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.494 43.143 4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.071 44.554 3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.367 44.393 1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.454 40.965 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.254 42.941 0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -5.349 39.515 2.606 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.216 39.388 0.723 1.00 0.00 H new ATOM 617 N SER A 38 -6.482 46.181 6.459 1.00 0.00 N ATOM 618 CA SER A 38 -7.162 46.971 7.479 1.00 0.00 C ATOM 619 C SER A 38 -7.892 48.149 6.840 1.00 0.00 C ATOM 620 O SER A 38 -7.545 48.581 5.742 1.00 0.00 O ATOM 621 CB SER A 38 -6.143 47.470 8.511 1.00 0.00 C ATOM 622 OG SER A 38 -6.768 48.238 9.526 1.00 0.00 O ATOM 0 H SER A 38 -6.005 46.737 5.749 1.00 0.00 H new ATOM 0 HA SER A 38 -7.898 46.344 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.631 46.619 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.383 48.072 8.013 1.00 0.00 H new ATOM 0 HG SER A 38 -6.094 48.540 10.169 1.00 0.00 H new ATOM 628 N CYS A 39 -8.916 48.658 7.513 1.00 0.00 N ATOM 629 CA CYS A 39 -9.656 49.809 7.010 1.00 0.00 C ATOM 630 C CYS A 39 -10.210 50.657 8.135 1.00 0.00 C ATOM 631 O CYS A 39 -10.935 50.156 8.991 1.00 0.00 O ATOM 632 CB CYS A 39 -10.831 49.366 6.140 1.00 0.00 C ATOM 633 SG CYS A 39 -11.802 50.742 5.444 1.00 0.00 S ATOM 0 H CYS A 39 -9.252 48.294 8.405 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.948 50.395 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.453 48.752 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.491 48.734 6.734 1.00 0.00 H new ATOM 638 N GLY A 40 -9.879 51.941 8.125 1.00 0.00 N ATOM 639 CA GLY A 40 -10.637 52.891 8.911 1.00 0.00 C ATOM 640 C GLY A 40 -12.053 53.003 8.368 1.00 0.00 C ATOM 641 O GLY A 40 -12.392 52.330 7.386 1.00 0.00 O ATOM 0 H GLY A 40 -9.106 52.338 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.663 52.574 9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.151 53.866 8.886 1.00 0.00 H new ATOM 645 N ARG A 41 -12.883 53.816 9.003 1.00 0.00 N ATOM 646 CA ARG A 41 -14.254 54.053 8.554 1.00 0.00 C ATOM 647 C ARG A 41 -15.172 52.882 8.907 1.00 0.00 C ATOM 648 O ARG A 41 -16.257 53.097 9.445 1.00 0.00 O ATOM 649 CB ARG A 41 -14.324 54.360 7.043 1.00 0.00 C ATOM 650 CG ARG A 41 -13.999 55.805 6.679 1.00 0.00 C ATOM 651 CD ARG A 41 -14.983 56.765 7.334 1.00 0.00 C ATOM 652 NE ARG A 41 -14.921 58.112 6.766 1.00 0.00 N ATOM 653 CZ ARG A 41 -15.989 58.790 6.336 1.00 0.00 C ATOM 654 NH1 ARG A 41 -17.196 58.239 6.384 1.00 0.00 N ATOM 655 NH2 ARG A 41 -15.847 60.016 5.852 1.00 0.00 N ATOM 0 H ARG A 41 -12.629 54.332 9.845 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.608 54.935 9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.632 53.701 6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.325 54.123 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.984 56.045 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.031 55.928 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.994 56.374 7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.777 56.816 8.403 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.008 58.560 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.311 57.294 6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.008 58.761 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.922 60.443 5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.663 60.533 5.524 1.00 0.00 H new ATOM 669 N CYS A 42 -14.760 51.642 8.614 1.00 0.00 N ATOM 670 CA CYS A 42 -15.608 50.495 8.940 1.00 0.00 C ATOM 671 C CYS A 42 -14.873 49.462 9.799 1.00 0.00 C ATOM 672 O CYS A 42 -15.502 48.578 10.384 1.00 0.00 O ATOM 673 CB CYS A 42 -16.174 49.843 7.665 1.00 0.00 C ATOM 674 SG CYS A 42 -14.945 48.982 6.630 1.00 0.00 S ATOM 0 H CYS A 42 -13.873 51.413 8.166 1.00 0.00 H new ATOM 0 HA CYS A 42 -16.442 50.874 9.531 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -16.948 49.131 7.952 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.657 50.614 7.064 1.00 0.00 H new ATOM 679 N GLY A 43 -13.549 49.578 9.895 1.00 0.00 N ATOM 680 CA GLY A 43 -12.778 48.660 10.724 1.00 0.00 C ATOM 681 C GLY A 43 -12.600 47.301 10.080 1.00 0.00 C ATOM 682 O GLY A 43 -12.300 46.314 10.758 1.00 0.00 O ATOM 0 H GLY A 43 -12.997 50.289 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.798 49.094 10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.276 48.539 11.686 1.00 0.00 H new ATOM 686 N TYR A 44 -12.784 47.249 8.763 1.00 0.00 N ATOM 687 CA TYR A 44 -12.637 46.001 8.023 1.00 0.00 C ATOM 688 C TYR A 44 -11.216 45.477 8.169 1.00 0.00 C ATOM 689 O TYR A 44 -10.249 46.199 7.910 1.00 0.00 O ATOM 690 CB TYR A 44 -12.988 46.184 6.539 1.00 0.00 C ATOM 691 CG TYR A 44 -12.956 44.884 5.749 1.00 0.00 C ATOM 692 CD1 TYR A 44 -14.055 44.031 5.731 1.00 0.00 C ATOM 693 CD2 TYR A 44 -11.824 44.507 5.030 1.00 0.00 C ATOM 694 CE1 TYR A 44 -14.029 42.849 5.016 1.00 0.00 C ATOM 695 CE2 TYR A 44 -11.794 43.328 4.313 1.00 0.00 C ATOM 696 CZ TYR A 44 -12.898 42.501 4.312 1.00 0.00 C ATOM 697 OH TYR A 44 -12.875 41.326 3.595 1.00 0.00 O ATOM 0 H TYR A 44 -13.034 48.054 8.189 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.334 45.274 8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -13.982 46.625 6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.289 46.890 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.943 44.297 6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.955 45.148 5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.893 42.200 5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.910 43.054 3.755 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.960 40.975 3.571 1.00 0.00 H new ATOM 707 N THR A 45 -11.104 44.227 8.596 1.00 0.00 N ATOM 708 CA THR A 45 -9.817 43.593 8.829 1.00 0.00 C ATOM 709 C THR A 45 -9.807 42.195 8.218 1.00 0.00 C ATOM 710 O THR A 45 -10.809 41.477 8.280 1.00 0.00 O ATOM 711 CB THR A 45 -9.529 43.495 10.345 1.00 0.00 C ATOM 712 OG1 THR A 45 -9.877 44.734 10.986 1.00 0.00 O ATOM 713 CG2 THR A 45 -8.058 43.176 10.614 1.00 0.00 C ATOM 0 H THR A 45 -11.904 43.625 8.790 1.00 0.00 H new ATOM 0 HA THR A 45 -9.043 44.200 8.360 1.00 0.00 H new ATOM 0 HB THR A 45 -10.133 42.684 10.751 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.695 44.668 11.947 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.890 43.114 11.689 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.802 42.223 10.151 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.432 43.963 10.194 1.00 0.00 H new ATOM 721 N GLU A 46 -8.680 41.819 7.623 1.00 0.00 N ATOM 722 CA GLU A 46 -8.539 40.513 6.989 1.00 0.00 C ATOM 723 C GLU A 46 -7.082 40.056 7.042 1.00 0.00 C ATOM 724 O GLU A 46 -6.233 40.589 6.329 1.00 0.00 O ATOM 725 CB GLU A 46 -9.020 40.583 5.530 1.00 0.00 C ATOM 726 CG GLU A 46 -9.011 39.243 4.802 1.00 0.00 C ATOM 727 CD GLU A 46 -9.427 39.370 3.345 1.00 0.00 C ATOM 728 OE1 GLU A 46 -10.621 39.640 3.082 1.00 0.00 O ATOM 729 OE2 GLU A 46 -8.566 39.213 2.452 1.00 0.00 O ATOM 0 H GLU A 46 -7.846 42.404 7.567 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.151 39.791 7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.033 40.986 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.388 41.284 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.012 38.811 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.684 38.552 5.310 1.00 0.00 H new ATOM 736 N PHE A 47 -6.787 39.094 7.909 1.00 0.00 N ATOM 737 CA PHE A 47 -5.433 38.554 8.017 1.00 0.00 C ATOM 738 C PHE A 47 -5.068 37.790 6.754 1.00 0.00 C ATOM 739 O PHE A 47 -5.880 37.027 6.224 1.00 0.00 O ATOM 740 CB PHE A 47 -5.300 37.641 9.240 1.00 0.00 C ATOM 741 CG PHE A 47 -5.390 38.372 10.551 1.00 0.00 C ATOM 742 CD1 PHE A 47 -4.352 39.189 10.962 1.00 0.00 C ATOM 743 CD2 PHE A 47 -6.507 38.247 11.367 1.00 0.00 C ATOM 744 CE1 PHE A 47 -4.421 39.869 12.163 1.00 0.00 C ATOM 745 CE2 PHE A 47 -6.581 38.925 12.569 1.00 0.00 C ATOM 746 CZ PHE A 47 -5.536 39.737 12.967 1.00 0.00 C ATOM 0 H PHE A 47 -7.463 38.672 8.546 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.745 39.391 8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.081 36.882 9.203 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.345 37.118 9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.478 39.297 10.337 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.326 37.614 11.059 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.604 40.503 12.473 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.454 38.820 13.196 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.591 40.268 13.906 1.00 0.00 H new ATOM 756 N LYS A 48 -3.845 37.996 6.269 1.00 0.00 N ATOM 757 CA LYS A 48 -3.391 37.316 5.051 1.00 0.00 C ATOM 758 C LYS A 48 -3.273 35.805 5.268 1.00 0.00 C ATOM 759 O LYS A 48 -3.480 35.016 4.342 1.00 0.00 O ATOM 760 CB LYS A 48 -2.053 37.880 4.550 1.00 0.00 C ATOM 761 CG LYS A 48 -2.174 39.229 3.839 1.00 0.00 C ATOM 762 CD LYS A 48 -0.952 39.512 2.966 1.00 0.00 C ATOM 763 CE LYS A 48 -1.142 40.749 2.092 1.00 0.00 C ATOM 764 NZ LYS A 48 -0.048 40.896 1.095 1.00 0.00 N ATOM 0 H LYS A 48 -3.157 38.619 6.692 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.146 37.501 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.375 37.987 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.600 37.161 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.073 39.238 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.287 40.022 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.077 39.649 3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.753 38.648 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.099 40.684 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.180 41.637 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.213 41.747 0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.863 40.983 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.027 40.060 0.476 1.00 0.00 H new ATOM 778 N LYS A 49 -2.944 35.407 6.492 1.00 0.00 N ATOM 779 CA LYS A 49 -2.814 33.993 6.838 1.00 0.00 C ATOM 780 C LYS A 49 -4.036 33.513 7.622 1.00 0.00 C ATOM 781 O LYS A 49 -3.943 32.603 8.450 1.00 0.00 O ATOM 782 CB LYS A 49 -1.520 33.758 7.636 1.00 0.00 C ATOM 783 CG LYS A 49 -0.255 34.096 6.850 1.00 0.00 C ATOM 784 CD LYS A 49 1.015 33.729 7.614 1.00 0.00 C ATOM 785 CE LYS A 49 1.114 32.229 7.866 1.00 0.00 C ATOM 786 NZ LYS A 49 2.387 31.863 8.544 1.00 0.00 N ATOM 0 H LYS A 49 -2.761 36.046 7.266 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.760 33.413 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.547 34.360 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.478 32.714 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.269 33.567 5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.245 35.162 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.887 34.060 7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.032 34.259 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.271 31.907 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.041 31.696 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.416 30.835 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.191 32.147 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.445 32.351 9.460 1.00 0.00 H new ATOM 800 N ALA A 50 -5.189 34.115 7.338 1.00 0.00 N ATOM 801 CA ALA A 50 -6.449 33.700 7.956 1.00 0.00 C ATOM 802 C ALA A 50 -7.208 32.738 7.043 1.00 0.00 C ATOM 803 O ALA A 50 -8.394 32.482 7.245 1.00 0.00 O ATOM 804 CB ALA A 50 -7.313 34.913 8.280 1.00 0.00 C ATOM 0 H ALA A 50 -5.278 34.892 6.684 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.216 33.182 8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.245 34.584 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.779 35.566 8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.533 35.458 7.362 1.00 0.00 H new ATOM 810 N LYS A 51 -6.518 32.209 6.036 1.00 0.00 N ATOM 811 CA LYS A 51 -7.102 31.235 5.117 1.00 0.00 C ATOM 812 C LYS A 51 -7.022 29.832 5.722 1.00 0.00 C ATOM 813 O LYS A 51 -7.961 29.383 6.389 1.00 0.00 O ATOM 814 CB LYS A 51 -6.380 31.286 3.756 1.00 0.00 C ATOM 815 CG LYS A 51 -6.654 32.554 2.941 1.00 0.00 C ATOM 816 CD LYS A 51 -8.012 32.502 2.224 1.00 0.00 C ATOM 817 CE LYS A 51 -8.972 33.594 2.688 1.00 0.00 C ATOM 818 NZ LYS A 51 -9.323 33.462 4.125 1.00 0.00 N ATOM 0 H LYS A 51 -5.545 32.441 5.834 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.151 31.483 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.306 31.202 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.679 30.419 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.627 33.421 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.862 32.689 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.854 32.597 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.469 31.527 2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.519 34.570 2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.882 33.554 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.922 34.263 4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.839 32.572 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.454 33.459 4.696 1.00 0.00 H new ATOM 832 N LYS A 52 -5.888 29.165 5.507 1.00 0.00 N ATOM 833 CA LYS A 52 -5.628 27.833 6.052 1.00 0.00 C ATOM 834 C LYS A 52 -4.121 27.606 6.145 1.00 0.00 C ATOM 835 O LYS A 52 -3.545 26.846 5.363 1.00 0.00 O ATOM 836 CB LYS A 52 -6.278 26.722 5.194 1.00 0.00 C ATOM 837 CG LYS A 52 -7.787 26.579 5.378 1.00 0.00 C ATOM 838 CD LYS A 52 -8.147 26.197 6.813 1.00 0.00 C ATOM 839 CE LYS A 52 -9.654 26.152 7.027 1.00 0.00 C ATOM 840 NZ LYS A 52 -10.321 25.173 6.128 1.00 0.00 N ATOM 0 H LYS A 52 -5.120 29.536 4.947 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.074 27.783 7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.071 26.924 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.804 25.771 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.276 27.518 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.167 25.821 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.718 25.223 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.704 26.916 7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.864 25.892 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.073 27.144 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.320 25.077 6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.260 25.507 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.850 24.249 6.210 1.00 0.00 H new ATOM 854 N SER A 53 -3.483 28.300 7.079 1.00 0.00 N ATOM 855 CA SER A 53 -2.051 28.161 7.298 1.00 0.00 C ATOM 856 C SER A 53 -1.722 26.728 7.714 1.00 0.00 C ATOM 857 O SER A 53 -1.983 26.321 8.852 1.00 0.00 O ATOM 858 CB SER A 53 -1.597 29.164 8.361 1.00 0.00 C ATOM 859 OG SER A 53 -2.009 30.478 8.014 1.00 0.00 O ATOM 0 H SER A 53 -3.939 28.968 7.700 1.00 0.00 H new ATOM 0 HA SER A 53 -1.516 28.373 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.014 28.890 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.512 29.131 8.460 1.00 0.00 H new ATOM 0 HG SER A 53 -2.822 30.708 8.511 1.00 0.00 H new ATOM 865 N LYS A 54 -1.179 25.959 6.775 1.00 0.00 N ATOM 866 CA LYS A 54 -0.925 24.540 6.991 1.00 0.00 C ATOM 867 C LYS A 54 0.298 24.342 7.882 1.00 0.00 C ATOM 868 O LYS A 54 1.409 24.752 7.531 1.00 0.00 O ATOM 869 CB LYS A 54 -0.725 23.822 5.647 1.00 0.00 C ATOM 870 CG LYS A 54 -0.573 22.306 5.768 1.00 0.00 C ATOM 871 CD LYS A 54 -1.806 21.662 6.401 1.00 0.00 C ATOM 872 CE LYS A 54 -1.643 20.154 6.565 1.00 0.00 C ATOM 873 NZ LYS A 54 -1.534 19.452 5.259 1.00 0.00 N ATOM 0 H LYS A 54 -0.905 26.298 5.853 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.791 24.109 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.574 24.041 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.161 24.228 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.405 21.877 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.307 22.075 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.992 22.115 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.680 21.867 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.753 19.950 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.494 19.757 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.544 18.424 5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.337 19.718 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.645 19.722 4.793 1.00 0.00 H new ATOM 887 N SER A 55 0.084 23.725 9.036 1.00 0.00 N ATOM 888 CA SER A 55 1.162 23.427 9.967 1.00 0.00 C ATOM 889 C SER A 55 1.978 22.224 9.478 1.00 0.00 C ATOM 890 O SER A 55 3.194 22.384 9.228 1.00 0.00 O ATOM 891 CB SER A 55 0.587 23.183 11.371 1.00 0.00 C ATOM 892 OG SER A 55 -0.584 22.376 11.320 1.00 0.00 O ATOM 893 OXT SER A 55 1.395 21.133 9.315 1.00 0.00 O ATOM 0 H SER A 55 -0.836 23.419 9.351 1.00 0.00 H new ATOM 0 HA SER A 55 1.837 24.282 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.338 22.698 11.994 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.352 24.138 11.841 1.00 0.00 H new ATOM 0 HG SER A 55 -0.449 21.643 10.683 1.00 0.00 H new TER 899 SER A 55 HETATM 900 ZN ZN A 56 -14.001 50.210 4.866 1.00 0.00 ZN