USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 416 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+ -109:sc= -1.99! (180deg=-5.35!) USER MOD Single : A 17 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.79) USER MOD Single : A 30 THR OG1 : rot -160:sc= -5.01! USER MOD Single : A 32 GLN : amide:sc= -3.65! C(o=-3.6!,f=-4.1!) USER MOD Single : A 38 TYR OH : rot 177:sc= -0.708 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.248 -12.429 18.880 1.00 0.00 N ATOM 2 CA MET A 1 26.844 -12.682 17.539 1.00 0.00 C ATOM 3 C MET A 1 25.761 -12.531 16.467 1.00 0.00 C ATOM 4 O MET A 1 25.523 -13.432 15.684 1.00 0.00 O ATOM 5 CB MET A 1 27.419 -14.099 17.495 1.00 0.00 C ATOM 6 CG MET A 1 28.339 -14.240 16.281 1.00 0.00 C ATOM 7 SD MET A 1 29.873 -13.326 16.577 1.00 0.00 S ATOM 8 CE MET A 1 30.280 -13.000 14.844 1.00 0.00 C ATOM 0 H1 MET A 1 26.597 -11.522 19.249 1.00 0.00 H new ATOM 0 H2 MET A 1 25.212 -12.394 18.798 1.00 0.00 H new ATOM 0 H3 MET A 1 26.518 -13.194 19.530 1.00 0.00 H new ATOM 0 HA MET A 1 27.643 -11.964 17.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.973 -14.306 18.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.611 -14.829 17.439 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.559 -15.292 16.098 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.842 -13.859 15.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.210 -12.435 14.789 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.398 -13.945 14.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.477 -12.423 14.384 1.00 0.00 H new ATOM 20 N PRO A 2 25.111 -11.396 16.436 1.00 0.00 N ATOM 21 CA PRO A 2 24.029 -11.113 15.447 1.00 0.00 C ATOM 22 C PRO A 2 24.558 -11.014 14.015 1.00 0.00 C ATOM 23 O PRO A 2 25.698 -10.665 13.781 1.00 0.00 O ATOM 24 CB PRO A 2 23.442 -9.769 15.911 1.00 0.00 C ATOM 25 CG PRO A 2 24.531 -9.121 16.710 1.00 0.00 C ATOM 26 CD PRO A 2 25.335 -10.258 17.343 1.00 0.00 C ATOM 0 HA PRO A 2 23.291 -11.915 15.417 1.00 0.00 H new ATOM 0 HB2 PRO A 2 23.155 -9.150 15.061 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.546 -9.917 16.514 1.00 0.00 H new ATOM 0 HG2 PRO A 2 25.165 -8.504 16.074 1.00 0.00 H new ATOM 0 HG3 PRO A 2 24.114 -8.466 17.476 1.00 0.00 H new ATOM 0 HD2 PRO A 2 26.393 -10.007 17.416 1.00 0.00 H new ATOM 0 HD3 PRO A 2 24.989 -10.478 18.353 1.00 0.00 H new ATOM 34 N LEU A 3 23.726 -11.319 13.063 1.00 0.00 N ATOM 35 CA LEU A 3 24.148 -11.251 11.638 1.00 0.00 C ATOM 36 C LEU A 3 23.942 -9.836 11.115 1.00 0.00 C ATOM 37 O LEU A 3 24.295 -9.522 9.997 1.00 0.00 O ATOM 38 CB LEU A 3 23.296 -12.234 10.818 1.00 0.00 C ATOM 39 CG LEU A 3 23.829 -13.661 11.013 1.00 0.00 C ATOM 40 CD1 LEU A 3 25.219 -13.803 10.352 1.00 0.00 C ATOM 41 CD2 LEU A 3 23.935 -13.964 12.517 1.00 0.00 C ATOM 0 H LEU A 3 22.762 -11.616 13.212 1.00 0.00 H new ATOM 0 HA LEU A 3 25.202 -11.516 11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 3 22.254 -12.178 11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 3 23.326 -11.964 9.762 1.00 0.00 H new ATOM 0 HG LEU A 3 23.143 -14.368 10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 3 25.588 -14.818 10.496 1.00 0.00 H new ATOM 0 HD12 LEU A 3 25.138 -13.594 9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 3 25.913 -13.097 10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 3 24.313 -14.976 12.658 1.00 0.00 H new ATOM 0 HD22 LEU A 3 24.617 -13.253 12.984 1.00 0.00 H new ATOM 0 HD23 LEU A 3 22.950 -13.877 12.976 1.00 0.00 H new ATOM 53 N GLU A 4 23.374 -8.986 11.917 1.00 0.00 N ATOM 54 CA GLU A 4 23.136 -7.582 11.476 1.00 0.00 C ATOM 55 C GLU A 4 24.392 -6.745 11.718 1.00 0.00 C ATOM 56 O GLU A 4 25.238 -6.608 10.855 1.00 0.00 O ATOM 57 CB GLU A 4 21.981 -6.994 12.289 1.00 0.00 C ATOM 58 CG GLU A 4 20.700 -7.778 12.006 1.00 0.00 C ATOM 59 CD GLU A 4 20.292 -7.582 10.544 1.00 0.00 C ATOM 60 OE1 GLU A 4 20.749 -6.620 9.946 1.00 0.00 O ATOM 61 OE2 GLU A 4 19.533 -8.395 10.048 1.00 0.00 O ATOM 0 H GLU A 4 23.062 -9.201 12.864 1.00 0.00 H new ATOM 0 HA GLU A 4 22.892 -7.571 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 4 22.215 -7.033 13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 4 21.840 -5.944 12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 4 20.856 -8.837 12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 4 19.901 -7.440 12.666 1.00 0.00 H new ATOM 68 N ALA A 5 24.509 -6.185 12.889 1.00 0.00 N ATOM 69 CA ALA A 5 25.694 -5.346 13.221 1.00 0.00 C ATOM 70 C ALA A 5 25.833 -4.200 12.221 1.00 0.00 C ATOM 71 O ALA A 5 25.352 -4.261 11.107 1.00 0.00 O ATOM 72 CB ALA A 5 26.960 -6.198 13.202 1.00 0.00 C ATOM 0 H ALA A 5 23.825 -6.274 13.640 1.00 0.00 H new ATOM 0 HA ALA A 5 25.554 -4.930 14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 5 27.821 -5.576 13.446 1.00 0.00 H new ATOM 0 HB2 ALA A 5 26.871 -6.998 13.937 1.00 0.00 H new ATOM 0 HB3 ALA A 5 27.093 -6.629 12.210 1.00 0.00 H new ATOM 78 N GLY A 6 26.486 -3.151 12.634 1.00 0.00 N ATOM 79 CA GLY A 6 26.672 -1.966 11.751 1.00 0.00 C ATOM 80 C GLY A 6 27.672 -2.271 10.643 1.00 0.00 C ATOM 81 O GLY A 6 28.411 -3.237 10.695 1.00 0.00 O ATOM 0 H GLY A 6 26.905 -3.063 13.560 1.00 0.00 H new ATOM 0 HA2 GLY A 6 25.716 -1.678 11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 6 27.022 -1.119 12.340 1.00 0.00 H new ATOM 85 N LEU A 7 27.686 -1.446 9.638 1.00 0.00 N ATOM 86 CA LEU A 7 28.612 -1.658 8.500 1.00 0.00 C ATOM 87 C LEU A 7 30.049 -1.390 8.937 1.00 0.00 C ATOM 88 O LEU A 7 30.359 -0.373 9.520 1.00 0.00 O ATOM 89 CB LEU A 7 28.238 -0.711 7.353 1.00 0.00 C ATOM 90 CG LEU A 7 29.188 -0.926 6.167 1.00 0.00 C ATOM 91 CD1 LEU A 7 29.093 -2.383 5.681 1.00 0.00 C ATOM 92 CD2 LEU A 7 28.804 0.022 5.029 1.00 0.00 C ATOM 0 H LEU A 7 27.087 -0.624 9.557 1.00 0.00 H new ATOM 0 HA LEU A 7 28.531 -2.691 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 7 27.209 -0.890 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 7 28.293 0.324 7.691 1.00 0.00 H new ATOM 0 HG LEU A 7 30.211 -0.720 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 29.769 -2.531 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 7 29.371 -3.056 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 7 28.071 -2.596 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 7 29.478 -0.130 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 7 27.780 -0.181 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 7 28.880 1.053 5.373 1.00 0.00 H new ATOM 104 N LEU A 8 30.930 -2.298 8.633 1.00 0.00 N ATOM 105 CA LEU A 8 32.363 -2.127 9.002 1.00 0.00 C ATOM 106 C LEU A 8 33.144 -1.642 7.778 1.00 0.00 C ATOM 107 O LEU A 8 34.207 -1.067 7.900 1.00 0.00 O ATOM 108 CB LEU A 8 32.929 -3.475 9.456 1.00 0.00 C ATOM 109 CG LEU A 8 32.548 -4.585 8.440 1.00 0.00 C ATOM 110 CD1 LEU A 8 33.687 -5.605 8.340 1.00 0.00 C ATOM 111 CD2 LEU A 8 31.270 -5.301 8.905 1.00 0.00 C ATOM 0 H LEU A 8 30.717 -3.164 8.138 1.00 0.00 H new ATOM 0 HA LEU A 8 32.451 -1.399 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.013 -3.411 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.541 -3.727 10.443 1.00 0.00 H new ATOM 0 HG LEU A 8 32.376 -4.130 7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.417 -6.383 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.595 -5.104 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.860 -6.054 9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.007 -6.079 8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.441 -5.751 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.454 -4.581 8.974 1.00 0.00 H new ATOM 123 N GLU A 9 32.627 -1.883 6.603 1.00 0.00 N ATOM 124 CA GLU A 9 33.337 -1.455 5.362 1.00 0.00 C ATOM 125 C GLU A 9 33.569 0.050 5.386 1.00 0.00 C ATOM 126 O GLU A 9 32.648 0.834 5.471 1.00 0.00 O ATOM 127 CB GLU A 9 32.493 -1.826 4.139 1.00 0.00 C ATOM 128 CG GLU A 9 32.405 -3.349 4.018 1.00 0.00 C ATOM 129 CD GLU A 9 33.792 -3.920 3.709 1.00 0.00 C ATOM 130 OE1 GLU A 9 34.630 -3.168 3.235 1.00 0.00 O ATOM 131 OE2 GLU A 9 33.995 -5.098 3.952 1.00 0.00 O ATOM 0 H GLU A 9 31.739 -2.360 6.448 1.00 0.00 H new ATOM 0 HA GLU A 9 34.301 -1.961 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 9 31.494 -1.400 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 9 32.937 -1.405 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 9 32.023 -3.776 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 9 31.704 -3.621 3.229 1.00 0.00 H new ATOM 138 N ILE A 10 34.806 0.450 5.304 1.00 0.00 N ATOM 139 CA ILE A 10 35.149 1.902 5.317 1.00 0.00 C ATOM 140 C ILE A 10 35.560 2.327 3.911 1.00 0.00 C ATOM 141 O ILE A 10 35.550 3.494 3.579 1.00 0.00 O ATOM 142 CB ILE A 10 36.318 2.134 6.280 1.00 0.00 C ATOM 143 CG1 ILE A 10 35.999 1.481 7.651 1.00 0.00 C ATOM 144 CG2 ILE A 10 36.523 3.639 6.458 1.00 0.00 C ATOM 145 CD1 ILE A 10 36.623 0.086 7.722 1.00 0.00 C ATOM 0 H ILE A 10 35.608 -0.176 5.227 1.00 0.00 H new ATOM 0 HA ILE A 10 34.287 2.485 5.641 1.00 0.00 H new ATOM 0 HB ILE A 10 37.226 1.686 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 10 36.385 2.103 8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 10 34.920 1.413 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 10 37.353 3.815 7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 36.746 4.093 5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 10 35.616 4.084 6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 10 36.395 -0.366 8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 10 36.216 -0.536 6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 10 37.704 0.164 7.605 1.00 0.00 H new ATOM 157 N LEU A 11 35.930 1.385 3.089 1.00 0.00 N ATOM 158 CA LEU A 11 36.360 1.722 1.704 1.00 0.00 C ATOM 159 C LEU A 11 35.154 2.114 0.861 1.00 0.00 C ATOM 160 O LEU A 11 34.058 1.633 1.059 1.00 0.00 O ATOM 161 CB LEU A 11 37.046 0.509 1.072 1.00 0.00 C ATOM 162 CG LEU A 11 38.200 0.051 1.971 1.00 0.00 C ATOM 163 CD1 LEU A 11 38.859 -1.190 1.361 1.00 0.00 C ATOM 164 CD2 LEU A 11 39.239 1.178 2.097 1.00 0.00 C ATOM 0 H LEU A 11 35.953 0.391 3.319 1.00 0.00 H new ATOM 0 HA LEU A 11 37.056 2.560 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 11 36.329 -0.301 0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 11 37.422 0.765 0.081 1.00 0.00 H new ATOM 0 HG LEU A 11 37.813 -0.192 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 11 39.680 -1.517 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 38.123 -1.990 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 11 39.244 -0.948 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 11 40.058 0.848 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 11 39.628 1.427 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 11 38.769 2.059 2.534 1.00 0.00 H new ATOM 176 N ALA A 12 35.360 2.993 -0.080 1.00 0.00 N ATOM 177 CA ALA A 12 34.241 3.442 -0.958 1.00 0.00 C ATOM 178 C ALA A 12 34.723 3.546 -2.398 1.00 0.00 C ATOM 179 O ALA A 12 35.797 4.051 -2.679 1.00 0.00 O ATOM 180 CB ALA A 12 33.742 4.805 -0.485 1.00 0.00 C ATOM 0 H ALA A 12 36.263 3.423 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 12 33.429 2.717 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 12 32.924 5.135 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 12 33.389 4.726 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.556 5.528 -0.535 1.00 0.00 H new ATOM 186 N CYS A 13 33.924 3.060 -3.310 1.00 0.00 N ATOM 187 CA CYS A 13 34.301 3.102 -4.742 1.00 0.00 C ATOM 188 C CYS A 13 34.025 4.509 -5.313 1.00 0.00 C ATOM 189 O CYS A 13 32.897 4.972 -5.335 1.00 0.00 O ATOM 190 CB CYS A 13 33.494 2.068 -5.527 1.00 0.00 C ATOM 191 SG CYS A 13 31.842 1.929 -4.823 1.00 0.00 S ATOM 0 H CYS A 13 33.018 2.633 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 13 35.363 2.873 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 13 33.430 2.361 -6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 13 33.996 1.101 -5.496 1.00 0.00 H new ATOM 196 N PRO A 14 35.043 5.183 -5.789 1.00 0.00 N ATOM 197 CA PRO A 14 34.893 6.542 -6.382 1.00 0.00 C ATOM 198 C PRO A 14 33.795 6.603 -7.444 1.00 0.00 C ATOM 199 O PRO A 14 33.591 5.670 -8.196 1.00 0.00 O ATOM 200 CB PRO A 14 36.266 6.812 -7.022 1.00 0.00 C ATOM 201 CG PRO A 14 37.231 5.938 -6.288 1.00 0.00 C ATOM 202 CD PRO A 14 36.443 4.732 -5.804 1.00 0.00 C ATOM 0 HA PRO A 14 34.603 7.276 -5.630 1.00 0.00 H new ATOM 0 HB2 PRO A 14 36.255 6.577 -8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 14 36.541 7.863 -6.931 1.00 0.00 H new ATOM 0 HG2 PRO A 14 38.048 5.630 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 14 37.676 6.472 -5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 14 36.577 3.879 -6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 14 36.769 4.418 -4.812 1.00 0.00 H new ATOM 210 N ALA A 15 33.097 7.707 -7.499 1.00 0.00 N ATOM 211 CA ALA A 15 32.007 7.882 -8.499 1.00 0.00 C ATOM 212 C ALA A 15 30.751 7.169 -8.014 1.00 0.00 C ATOM 213 O ALA A 15 29.649 7.636 -8.220 1.00 0.00 O ATOM 214 CB ALA A 15 32.443 7.301 -9.856 1.00 0.00 C ATOM 0 H ALA A 15 33.240 8.507 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 15 31.797 8.945 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 15 31.641 7.432 -10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 15 33.336 7.820 -10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 15 32.661 6.239 -9.744 1.00 0.00 H new ATOM 220 N CYS A 16 30.913 6.035 -7.382 1.00 0.00 N ATOM 221 CA CYS A 16 29.729 5.266 -6.889 1.00 0.00 C ATOM 222 C CYS A 16 29.845 5.048 -5.382 1.00 0.00 C ATOM 223 O CYS A 16 30.673 5.632 -4.712 1.00 0.00 O ATOM 224 CB CYS A 16 29.671 3.909 -7.614 1.00 0.00 C ATOM 225 SG CYS A 16 31.336 3.401 -8.118 1.00 0.00 S ATOM 0 H CYS A 16 31.817 5.606 -7.185 1.00 0.00 H new ATOM 0 HA CYS A 16 28.817 5.826 -7.094 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.235 3.156 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 16 29.024 3.982 -8.488 1.00 0.00 H new ATOM 230 N HIS A 17 29.000 4.208 -4.855 1.00 0.00 N ATOM 231 CA HIS A 17 29.013 3.921 -3.393 1.00 0.00 C ATOM 232 C HIS A 17 28.879 2.423 -3.165 1.00 0.00 C ATOM 233 O HIS A 17 27.796 1.871 -3.162 1.00 0.00 O ATOM 234 CB HIS A 17 27.849 4.652 -2.732 1.00 0.00 C ATOM 235 CG HIS A 17 28.139 6.126 -2.723 1.00 0.00 C ATOM 236 ND1 HIS A 17 27.858 6.945 -3.808 1.00 0.00 N ATOM 237 CD2 HIS A 17 28.693 6.944 -1.769 1.00 0.00 C ATOM 238 CE1 HIS A 17 28.241 8.194 -3.483 1.00 0.00 C ATOM 239 NE2 HIS A 17 28.755 8.244 -2.253 1.00 0.00 N ATOM 0 H HIS A 17 28.290 3.700 -5.383 1.00 0.00 H new ATOM 0 HA HIS A 17 29.952 4.263 -2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 17 26.924 4.454 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 17 27.707 4.290 -1.714 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.029 6.625 -0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 17 28.144 9.049 -4.136 1.00 0.00 H new ATOM 0 HE2 HIS A 17 29.118 9.065 -1.769 1.00 0.00 H new ATOM 247 N ALA A 18 29.984 1.772 -2.959 1.00 0.00 N ATOM 248 CA ALA A 18 29.962 0.315 -2.714 1.00 0.00 C ATOM 249 C ALA A 18 31.383 -0.176 -2.407 1.00 0.00 C ATOM 250 O ALA A 18 32.349 0.557 -2.561 1.00 0.00 O ATOM 251 CB ALA A 18 29.415 -0.434 -3.946 1.00 0.00 C ATOM 0 H ALA A 18 30.912 2.196 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 18 29.310 0.114 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 18 29.407 -1.506 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.400 -0.096 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.051 -0.231 -4.808 1.00 0.00 H new ATOM 257 N PRO A 19 31.509 -1.413 -1.993 1.00 0.00 N ATOM 258 CA PRO A 19 32.827 -2.028 -1.670 1.00 0.00 C ATOM 259 C PRO A 19 33.642 -2.375 -2.926 1.00 0.00 C ATOM 260 O PRO A 19 33.163 -2.297 -4.047 1.00 0.00 O ATOM 261 CB PRO A 19 32.462 -3.315 -0.890 1.00 0.00 C ATOM 262 CG PRO A 19 30.973 -3.275 -0.693 1.00 0.00 C ATOM 263 CD PRO A 19 30.418 -2.373 -1.778 1.00 0.00 C ATOM 0 HA PRO A 19 33.456 -1.341 -1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.758 -4.205 -1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.981 -3.351 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.546 -4.275 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.723 -2.891 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.184 -2.929 -2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.500 -1.878 -1.462 1.00 0.00 H new ATOM 271 N LEU A 20 34.870 -2.772 -2.731 1.00 0.00 N ATOM 272 CA LEU A 20 35.741 -3.150 -3.886 1.00 0.00 C ATOM 273 C LEU A 20 36.069 -4.631 -3.814 1.00 0.00 C ATOM 274 O LEU A 20 36.418 -5.151 -2.774 1.00 0.00 O ATOM 275 CB LEU A 20 37.029 -2.337 -3.838 1.00 0.00 C ATOM 276 CG LEU A 20 36.691 -0.850 -3.984 1.00 0.00 C ATOM 277 CD1 LEU A 20 37.919 -0.013 -3.622 1.00 0.00 C ATOM 278 CD2 LEU A 20 36.276 -0.542 -5.432 1.00 0.00 C ATOM 0 H LEU A 20 35.312 -2.852 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 20 35.217 -2.943 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 20 37.550 -2.513 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 20 37.701 -2.650 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 20 35.865 -0.605 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 20 37.681 1.046 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 20 38.210 -0.221 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 20 38.742 -0.267 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 20 36.038 0.518 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 20 37.096 -0.790 -6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 20 35.400 -1.135 -5.693 1.00 0.00 H new ATOM 290 N GLU A 21 35.956 -5.309 -4.929 1.00 0.00 N ATOM 291 CA GLU A 21 36.250 -6.773 -4.964 1.00 0.00 C ATOM 292 C GLU A 21 37.519 -7.013 -5.775 1.00 0.00 C ATOM 293 O GLU A 21 37.722 -6.446 -6.835 1.00 0.00 O ATOM 294 CB GLU A 21 35.075 -7.512 -5.608 1.00 0.00 C ATOM 295 CG GLU A 21 34.598 -6.745 -6.841 1.00 0.00 C ATOM 296 CD GLU A 21 33.523 -7.557 -7.566 1.00 0.00 C ATOM 297 OE1 GLU A 21 33.601 -8.774 -7.529 1.00 0.00 O ATOM 298 OE2 GLU A 21 32.641 -6.948 -8.149 1.00 0.00 O ATOM 0 H GLU A 21 35.671 -4.907 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 21 36.395 -7.144 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 21 35.378 -8.521 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 21 34.259 -7.612 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 21 34.198 -5.775 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 21 35.437 -6.554 -7.510 1.00 0.00 H new ATOM 305 N GLU A 22 38.379 -7.851 -5.263 1.00 0.00 N ATOM 306 CA GLU A 22 39.659 -8.155 -5.960 1.00 0.00 C ATOM 307 C GLU A 22 39.537 -9.443 -6.756 1.00 0.00 C ATOM 308 O GLU A 22 39.032 -10.439 -6.279 1.00 0.00 O ATOM 309 CB GLU A 22 40.781 -8.292 -4.931 1.00 0.00 C ATOM 310 CG GLU A 22 40.497 -9.480 -4.009 1.00 0.00 C ATOM 311 CD GLU A 22 41.487 -9.472 -2.843 1.00 0.00 C ATOM 312 OE1 GLU A 22 42.617 -9.064 -3.052 1.00 0.00 O ATOM 313 OE2 GLU A 22 41.096 -9.874 -1.760 1.00 0.00 O ATOM 0 H GLU A 22 38.246 -8.344 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 22 39.888 -7.340 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 22 41.736 -8.433 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 22 40.863 -7.377 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 22 39.476 -9.425 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 22 40.582 -10.414 -4.565 1.00 0.00 H new ATOM 320 N ARG A 23 40.000 -9.419 -7.980 1.00 0.00 N ATOM 321 CA ARG A 23 39.929 -10.633 -8.844 1.00 0.00 C ATOM 322 C ARG A 23 41.272 -10.856 -9.528 1.00 0.00 C ATOM 323 O ARG A 23 41.800 -9.992 -10.204 1.00 0.00 O ATOM 324 CB ARG A 23 38.834 -10.445 -9.893 1.00 0.00 C ATOM 325 CG ARG A 23 37.461 -10.388 -9.207 1.00 0.00 C ATOM 326 CD ARG A 23 37.025 -11.802 -8.793 1.00 0.00 C ATOM 327 NE ARG A 23 35.587 -11.791 -8.421 1.00 0.00 N ATOM 328 CZ ARG A 23 35.089 -12.766 -7.709 1.00 0.00 C ATOM 329 NH1 ARG A 23 35.850 -13.752 -7.311 1.00 0.00 N ATOM 330 NH2 ARG A 23 33.825 -12.755 -7.397 1.00 0.00 N ATOM 0 H ARG A 23 40.427 -8.604 -8.420 1.00 0.00 H new ATOM 0 HA ARG A 23 39.695 -11.504 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 23 39.009 -9.527 -10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 23 38.859 -11.266 -10.609 1.00 0.00 H new ATOM 0 HG2 ARG A 23 37.509 -9.742 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG A 23 36.724 -9.954 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 23 37.194 -12.500 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 23 37.626 -12.147 -7.952 1.00 0.00 H new ATOM 0 HE ARG A 23 34.988 -11.022 -8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 23 36.840 -13.763 -7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 23 35.454 -14.510 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 23 33.229 -11.988 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 23 33.430 -13.514 -6.841 1.00 0.00 H new ATOM 344 N ASP A 24 41.812 -12.027 -9.346 1.00 0.00 N ATOM 345 CA ASP A 24 43.120 -12.377 -9.961 1.00 0.00 C ATOM 346 C ASP A 24 44.145 -11.287 -9.678 1.00 0.00 C ATOM 347 O ASP A 24 44.545 -11.077 -8.552 1.00 0.00 O ATOM 348 CB ASP A 24 42.952 -12.531 -11.473 1.00 0.00 C ATOM 349 CG ASP A 24 42.181 -13.813 -11.777 1.00 0.00 C ATOM 350 OD1 ASP A 24 42.048 -14.627 -10.880 1.00 0.00 O ATOM 351 OD2 ASP A 24 41.736 -13.957 -12.903 1.00 0.00 O ATOM 0 H ASP A 24 41.394 -12.770 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 24 43.469 -13.316 -9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.420 -11.670 -11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 24 43.929 -12.559 -11.956 1.00 0.00 H new ATOM 356 N ALA A 25 44.582 -10.599 -10.699 1.00 0.00 N ATOM 357 CA ALA A 25 45.595 -9.518 -10.520 1.00 0.00 C ATOM 358 C ALA A 25 44.950 -8.172 -10.823 1.00 0.00 C ATOM 359 O ALA A 25 45.622 -7.217 -11.152 1.00 0.00 O ATOM 360 CB ALA A 25 46.760 -9.766 -11.481 1.00 0.00 C ATOM 0 H ALA A 25 44.276 -10.742 -11.662 1.00 0.00 H new ATOM 0 HA ALA A 25 45.964 -9.515 -9.495 1.00 0.00 H new ATOM 0 HB1 ALA A 25 47.506 -8.981 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 25 47.212 -10.734 -11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 25 46.393 -9.760 -12.507 1.00 0.00 H new ATOM 366 N GLU A 26 43.649 -8.088 -10.710 1.00 0.00 N ATOM 367 CA GLU A 26 42.953 -6.792 -10.986 1.00 0.00 C ATOM 368 C GLU A 26 41.843 -6.568 -9.968 1.00 0.00 C ATOM 369 O GLU A 26 41.404 -7.490 -9.295 1.00 0.00 O ATOM 370 CB GLU A 26 42.352 -6.817 -12.387 1.00 0.00 C ATOM 371 CG GLU A 26 43.482 -6.848 -13.416 1.00 0.00 C ATOM 372 CD GLU A 26 42.893 -6.919 -14.824 1.00 0.00 C ATOM 373 OE1 GLU A 26 41.680 -6.992 -14.936 1.00 0.00 O ATOM 374 OE2 GLU A 26 43.665 -6.897 -15.768 1.00 0.00 O ATOM 0 H GLU A 26 43.038 -8.859 -10.439 1.00 0.00 H new ATOM 0 HA GLU A 26 43.678 -5.982 -10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 26 41.711 -7.691 -12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 26 41.725 -5.939 -12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 26 44.103 -5.958 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 26 44.127 -7.709 -13.237 1.00 0.00 H new ATOM 381 N LEU A 27 41.392 -5.338 -9.849 1.00 0.00 N ATOM 382 CA LEU A 27 40.315 -5.017 -8.870 1.00 0.00 C ATOM 383 C LEU A 27 39.065 -4.574 -9.610 1.00 0.00 C ATOM 384 O LEU A 27 39.122 -3.989 -10.677 1.00 0.00 O ATOM 385 CB LEU A 27 40.793 -3.898 -7.949 1.00 0.00 C ATOM 386 CG LEU A 27 42.135 -4.286 -7.323 1.00 0.00 C ATOM 387 CD1 LEU A 27 42.649 -3.126 -6.467 1.00 0.00 C ATOM 388 CD2 LEU A 27 41.962 -5.532 -6.446 1.00 0.00 C ATOM 0 H LEU A 27 41.729 -4.544 -10.393 1.00 0.00 H new ATOM 0 HA LEU A 27 40.082 -5.903 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.897 -2.970 -8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 27 40.055 -3.716 -7.168 1.00 0.00 H new ATOM 0 HG LEU A 27 42.852 -4.504 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 43.605 -3.399 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 27 42.780 -2.243 -7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 41.928 -2.909 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 27 42.921 -5.802 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 27 41.244 -5.322 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 27 41.598 -6.359 -7.056 1.00 0.00 H new ATOM 400 N ILE A 28 37.926 -4.870 -9.043 1.00 0.00 N ATOM 401 CA ILE A 28 36.638 -4.492 -9.685 1.00 0.00 C ATOM 402 C ILE A 28 35.674 -3.925 -8.644 1.00 0.00 C ATOM 403 O ILE A 28 35.725 -4.248 -7.461 1.00 0.00 O ATOM 404 CB ILE A 28 36.019 -5.717 -10.357 1.00 0.00 C ATOM 405 CG1 ILE A 28 36.850 -6.099 -11.583 1.00 0.00 C ATOM 406 CG2 ILE A 28 34.585 -5.397 -10.787 1.00 0.00 C ATOM 407 CD1 ILE A 28 36.405 -7.472 -12.092 1.00 0.00 C ATOM 0 H ILE A 28 37.834 -5.362 -8.154 1.00 0.00 H new ATOM 0 HA ILE A 28 36.828 -3.727 -10.437 1.00 0.00 H new ATOM 0 HB ILE A 28 36.006 -6.550 -9.654 1.00 0.00 H new ATOM 0 HG12 ILE A 28 36.727 -5.351 -12.367 1.00 0.00 H new ATOM 0 HG13 ILE A 28 37.909 -6.120 -11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 28 34.145 -6.272 -11.266 1.00 0.00 H new ATOM 0 HG22 ILE A 28 33.994 -5.127 -9.912 1.00 0.00 H new ATOM 0 HG23 ILE A 28 34.593 -4.564 -11.490 1.00 0.00 H new ATOM 0 HD11 ILE A 28 36.997 -7.745 -12.966 1.00 0.00 H new ATOM 0 HD12 ILE A 28 36.551 -8.215 -11.308 1.00 0.00 H new ATOM 0 HD13 ILE A 28 35.350 -7.435 -12.365 1.00 0.00 H new ATOM 419 N CYS A 29 34.793 -3.068 -9.093 1.00 0.00 N ATOM 420 CA CYS A 29 33.814 -2.446 -8.165 1.00 0.00 C ATOM 421 C CYS A 29 32.826 -3.498 -7.662 1.00 0.00 C ATOM 422 O CYS A 29 32.264 -4.254 -8.428 1.00 0.00 O ATOM 423 CB CYS A 29 33.064 -1.328 -8.904 1.00 0.00 C ATOM 424 SG CYS A 29 32.849 0.086 -7.799 1.00 0.00 S ATOM 0 H CYS A 29 34.713 -2.774 -10.066 1.00 0.00 H new ATOM 0 HA CYS A 29 34.340 -2.027 -7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 29 33.620 -1.028 -9.792 1.00 0.00 H new ATOM 0 HB3 CYS A 29 32.093 -1.689 -9.243 1.00 0.00 H new ATOM 429 N THR A 30 32.613 -3.547 -6.373 1.00 0.00 N ATOM 430 CA THR A 30 31.676 -4.539 -5.806 1.00 0.00 C ATOM 431 C THR A 30 30.273 -3.941 -5.709 1.00 0.00 C ATOM 432 O THR A 30 30.070 -2.750 -5.827 1.00 0.00 O ATOM 433 CB THR A 30 32.157 -4.938 -4.405 1.00 0.00 C ATOM 434 OG1 THR A 30 33.572 -5.067 -4.411 1.00 0.00 O ATOM 435 CG2 THR A 30 31.525 -6.270 -4.003 1.00 0.00 C ATOM 0 H THR A 30 33.056 -2.933 -5.689 1.00 0.00 H new ATOM 0 HA THR A 30 31.644 -5.415 -6.453 1.00 0.00 H new ATOM 0 HB THR A 30 31.863 -4.170 -3.689 1.00 0.00 H new ATOM 0 HG1 THR A 30 33.854 -5.612 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.869 -6.550 -3.007 1.00 0.00 H new ATOM 0 HG22 THR A 30 30.440 -6.171 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.815 -7.041 -4.717 1.00 0.00 H new ATOM 443 N GLY A 31 29.316 -4.780 -5.479 1.00 0.00 N ATOM 444 CA GLY A 31 27.905 -4.328 -5.345 1.00 0.00 C ATOM 445 C GLY A 31 27.250 -4.226 -6.719 1.00 0.00 C ATOM 446 O GLY A 31 27.885 -3.910 -7.705 1.00 0.00 O ATOM 0 H GLY A 31 29.450 -5.786 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.349 -5.028 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.872 -3.360 -4.846 1.00 0.00 H new ATOM 450 N GLN A 32 25.977 -4.481 -6.778 1.00 0.00 N ATOM 451 CA GLN A 32 25.248 -4.399 -8.071 1.00 0.00 C ATOM 452 C GLN A 32 25.032 -2.926 -8.422 1.00 0.00 C ATOM 453 O GLN A 32 24.624 -2.591 -9.518 1.00 0.00 O ATOM 454 CB GLN A 32 23.885 -5.094 -7.937 1.00 0.00 C ATOM 455 CG GLN A 32 23.181 -4.639 -6.645 1.00 0.00 C ATOM 456 CD GLN A 32 23.671 -5.472 -5.460 1.00 0.00 C ATOM 457 OE1 GLN A 32 23.740 -6.683 -5.540 1.00 0.00 O ATOM 458 NE2 GLN A 32 24.018 -4.872 -4.355 1.00 0.00 N ATOM 0 H GLN A 32 25.403 -4.746 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 32 25.827 -4.889 -8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.263 -4.860 -8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 32 24.020 -6.176 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 32 23.381 -3.583 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 32 22.102 -4.745 -6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 32 23.961 -3.856 -4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 32 24.347 -5.419 -3.559 1.00 0.00 H new ATOM 467 N ASP A 33 25.304 -2.050 -7.495 1.00 0.00 N ATOM 468 CA ASP A 33 25.124 -0.596 -7.756 1.00 0.00 C ATOM 469 C ASP A 33 26.330 -0.072 -8.527 1.00 0.00 C ATOM 470 O ASP A 33 26.370 1.073 -8.927 1.00 0.00 O ATOM 471 CB ASP A 33 25.006 0.148 -6.424 1.00 0.00 C ATOM 472 CG ASP A 33 24.715 1.625 -6.687 1.00 0.00 C ATOM 473 OD1 ASP A 33 24.405 1.954 -7.821 1.00 0.00 O ATOM 474 OD2 ASP A 33 24.807 2.405 -5.752 1.00 0.00 O ATOM 0 H ASP A 33 25.645 -2.281 -6.562 1.00 0.00 H new ATOM 0 HA ASP A 33 24.219 -0.437 -8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 33 24.210 -0.288 -5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 33 25.930 0.044 -5.855 1.00 0.00 H new ATOM 479 N CYS A 34 27.314 -0.907 -8.735 1.00 0.00 N ATOM 480 CA CYS A 34 28.535 -0.474 -9.482 1.00 0.00 C ATOM 481 C CYS A 34 28.845 -1.474 -10.592 1.00 0.00 C ATOM 482 O CYS A 34 27.963 -2.034 -11.206 1.00 0.00 O ATOM 483 CB CYS A 34 29.721 -0.422 -8.529 1.00 0.00 C ATOM 484 SG CYS A 34 29.299 0.549 -7.064 1.00 0.00 S ATOM 0 H CYS A 34 27.326 -1.876 -8.418 1.00 0.00 H new ATOM 0 HA CYS A 34 28.356 0.511 -9.913 1.00 0.00 H new ATOM 0 HB2 CYS A 34 30.006 -1.432 -8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 34 30.582 0.019 -9.031 1.00 0.00 H new ATOM 489 N GLY A 35 30.105 -1.688 -10.855 1.00 0.00 N ATOM 490 CA GLY A 35 30.511 -2.643 -11.929 1.00 0.00 C ATOM 491 C GLY A 35 31.824 -2.163 -12.555 1.00 0.00 C ATOM 492 O GLY A 35 32.491 -2.899 -13.259 1.00 0.00 O ATOM 0 H GLY A 35 30.880 -1.238 -10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 35 30.635 -3.644 -11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 35 29.733 -2.707 -12.690 1.00 0.00 H new ATOM 496 N LEU A 36 32.189 -0.932 -12.305 1.00 0.00 N ATOM 497 CA LEU A 36 33.445 -0.376 -12.886 1.00 0.00 C ATOM 498 C LEU A 36 34.605 -1.328 -12.643 1.00 0.00 C ATOM 499 O LEU A 36 34.647 -2.049 -11.654 1.00 0.00 O ATOM 500 CB LEU A 36 33.753 0.979 -12.246 1.00 0.00 C ATOM 501 CG LEU A 36 32.538 1.900 -12.395 1.00 0.00 C ATOM 502 CD1 LEU A 36 32.821 3.235 -11.703 1.00 0.00 C ATOM 503 CD2 LEU A 36 32.251 2.142 -13.886 1.00 0.00 C ATOM 0 H LEU A 36 31.665 -0.283 -11.718 1.00 0.00 H new ATOM 0 HA LEU A 36 33.309 -0.250 -13.960 1.00 0.00 H new ATOM 0 HB2 LEU A 36 33.997 0.849 -11.192 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.625 1.429 -12.722 1.00 0.00 H new ATOM 0 HG LEU A 36 31.670 1.430 -11.934 1.00 0.00 H new ATOM 0 HD11 LEU A 36 31.956 3.890 -11.809 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.017 3.062 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.691 3.705 -12.161 1.00 0.00 H new ATOM 0 HD21 LEU A 36 31.386 2.797 -13.988 1.00 0.00 H new ATOM 0 HD22 LEU A 36 33.118 2.610 -14.352 1.00 0.00 H new ATOM 0 HD23 LEU A 36 32.045 1.190 -14.376 1.00 0.00 H new ATOM 515 N ALA A 37 35.551 -1.333 -13.556 1.00 0.00 N ATOM 516 CA ALA A 37 36.731 -2.242 -13.420 1.00 0.00 C ATOM 517 C ALA A 37 37.992 -1.416 -13.206 1.00 0.00 C ATOM 518 O ALA A 37 38.233 -0.425 -13.882 1.00 0.00 O ATOM 519 CB ALA A 37 36.861 -3.090 -14.697 1.00 0.00 C ATOM 0 H ALA A 37 35.554 -0.745 -14.389 1.00 0.00 H new ATOM 0 HA ALA A 37 36.595 -2.900 -12.562 1.00 0.00 H new ATOM 0 HB1 ALA A 37 37.719 -3.756 -14.606 1.00 0.00 H new ATOM 0 HB2 ALA A 37 35.956 -3.682 -14.835 1.00 0.00 H new ATOM 0 HB3 ALA A 37 37.000 -2.434 -15.557 1.00 0.00 H new ATOM 525 N TYR A 38 38.804 -1.840 -12.268 1.00 0.00 N ATOM 526 CA TYR A 38 40.074 -1.127 -11.969 1.00 0.00 C ATOM 527 C TYR A 38 41.257 -2.115 -12.078 1.00 0.00 C ATOM 528 O TYR A 38 41.460 -2.968 -11.213 1.00 0.00 O ATOM 529 CB TYR A 38 40.019 -0.566 -10.559 1.00 0.00 C ATOM 530 CG TYR A 38 38.736 0.205 -10.375 1.00 0.00 C ATOM 531 CD1 TYR A 38 38.621 1.507 -10.878 1.00 0.00 C ATOM 532 CD2 TYR A 38 37.660 -0.381 -9.701 1.00 0.00 C ATOM 533 CE1 TYR A 38 37.431 2.221 -10.702 1.00 0.00 C ATOM 534 CE2 TYR A 38 36.470 0.334 -9.526 1.00 0.00 C ATOM 535 CZ TYR A 38 36.356 1.634 -10.028 1.00 0.00 C ATOM 536 OH TYR A 38 35.182 2.341 -9.856 1.00 0.00 O ATOM 0 H TYR A 38 38.633 -2.663 -11.691 1.00 0.00 H new ATOM 0 HA TYR A 38 40.209 -0.314 -12.682 1.00 0.00 H new ATOM 0 HB2 TYR A 38 40.077 -1.376 -9.831 1.00 0.00 H new ATOM 0 HB3 TYR A 38 40.875 0.084 -10.381 1.00 0.00 H new ATOM 0 HD1 TYR A 38 39.450 1.959 -11.401 1.00 0.00 H new ATOM 0 HD2 TYR A 38 37.748 -1.386 -9.315 1.00 0.00 H new ATOM 0 HE1 TYR A 38 37.343 3.226 -11.087 1.00 0.00 H new ATOM 0 HE2 TYR A 38 35.640 -0.118 -9.003 1.00 0.00 H new ATOM 0 HH TYR A 38 34.520 1.772 -9.411 1.00 0.00 H new ATOM 546 N PRO A 39 42.040 -2.015 -13.133 1.00 0.00 N ATOM 547 CA PRO A 39 43.216 -2.899 -13.333 1.00 0.00 C ATOM 548 C PRO A 39 44.422 -2.440 -12.515 1.00 0.00 C ATOM 549 O PRO A 39 44.406 -1.392 -11.890 1.00 0.00 O ATOM 550 CB PRO A 39 43.498 -2.798 -14.835 1.00 0.00 C ATOM 551 CG PRO A 39 42.998 -1.445 -15.242 1.00 0.00 C ATOM 552 CD PRO A 39 41.891 -1.061 -14.252 1.00 0.00 C ATOM 0 HA PRO A 39 43.023 -3.920 -13.003 1.00 0.00 H new ATOM 0 HB2 PRO A 39 44.563 -2.903 -15.043 1.00 0.00 H new ATOM 0 HB3 PRO A 39 42.987 -3.588 -15.385 1.00 0.00 H new ATOM 0 HG2 PRO A 39 43.805 -0.713 -15.221 1.00 0.00 H new ATOM 0 HG3 PRO A 39 42.613 -1.466 -16.262 1.00 0.00 H new ATOM 0 HD2 PRO A 39 42.004 -0.031 -13.912 1.00 0.00 H new ATOM 0 HD3 PRO A 39 40.905 -1.139 -14.710 1.00 0.00 H new ATOM 560 N VAL A 40 45.463 -3.227 -12.517 1.00 0.00 N ATOM 561 CA VAL A 40 46.693 -2.876 -11.749 1.00 0.00 C ATOM 562 C VAL A 40 47.816 -2.501 -12.707 1.00 0.00 C ATOM 563 O VAL A 40 48.088 -3.192 -13.667 1.00 0.00 O ATOM 564 CB VAL A 40 47.123 -4.076 -10.905 1.00 0.00 C ATOM 565 CG1 VAL A 40 48.509 -3.812 -10.308 1.00 0.00 C ATOM 566 CG2 VAL A 40 46.113 -4.279 -9.775 1.00 0.00 C ATOM 0 H VAL A 40 45.515 -4.110 -13.025 1.00 0.00 H new ATOM 0 HA VAL A 40 46.480 -2.027 -11.100 1.00 0.00 H new ATOM 0 HB VAL A 40 47.163 -4.969 -11.529 1.00 0.00 H new ATOM 0 HG11 VAL A 40 48.815 -4.668 -9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 40 49.228 -3.658 -11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 40 48.471 -2.922 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 40 46.413 -5.133 -9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 40 46.080 -3.385 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 40 45.126 -4.463 -10.198 1.00 0.00 H new ATOM 576 N ARG A 41 48.471 -1.404 -12.432 1.00 0.00 N ATOM 577 CA ARG A 41 49.597 -0.945 -13.300 1.00 0.00 C ATOM 578 C ARG A 41 50.852 -0.750 -12.459 1.00 0.00 C ATOM 579 O ARG A 41 50.858 -0.051 -11.469 1.00 0.00 O ATOM 580 CB ARG A 41 49.210 0.376 -13.962 1.00 0.00 C ATOM 581 CG ARG A 41 47.936 0.183 -14.796 1.00 0.00 C ATOM 582 CD ARG A 41 48.278 -0.534 -16.112 1.00 0.00 C ATOM 583 NE ARG A 41 47.084 -0.549 -16.997 1.00 0.00 N ATOM 584 CZ ARG A 41 47.001 -1.416 -17.971 1.00 0.00 C ATOM 585 NH1 ARG A 41 47.956 -2.285 -18.168 1.00 0.00 N ATOM 586 NH2 ARG A 41 45.955 -1.413 -18.750 1.00 0.00 N ATOM 0 H ARG A 41 48.272 -0.800 -11.635 1.00 0.00 H new ATOM 0 HA ARG A 41 49.797 -1.695 -14.065 1.00 0.00 H new ATOM 0 HB2 ARG A 41 49.047 1.140 -13.202 1.00 0.00 H new ATOM 0 HB3 ARG A 41 50.023 0.727 -14.598 1.00 0.00 H new ATOM 0 HG2 ARG A 41 47.207 -0.399 -14.233 1.00 0.00 H new ATOM 0 HG3 ARG A 41 47.478 1.150 -15.006 1.00 0.00 H new ATOM 0 HD2 ARG A 41 49.105 -0.028 -16.609 1.00 0.00 H new ATOM 0 HD3 ARG A 41 48.605 -1.554 -15.908 1.00 0.00 H new ATOM 0 HE ARG A 41 46.328 0.119 -16.844 1.00 0.00 H new ATOM 0 HH11 ARG A 41 48.774 -2.290 -17.559 1.00 0.00 H new ATOM 0 HH12 ARG A 41 47.883 -2.958 -18.931 1.00 0.00 H new ATOM 0 HH21 ARG A 41 45.207 -0.736 -18.597 1.00 0.00 H new ATOM 0 HH22 ARG A 41 45.885 -2.087 -19.512 1.00 0.00 H new ATOM 600 N ASP A 42 51.916 -1.378 -12.868 1.00 0.00 N ATOM 601 CA ASP A 42 53.202 -1.264 -12.134 1.00 0.00 C ATOM 602 C ASP A 42 53.012 -1.711 -10.687 1.00 0.00 C ATOM 603 O ASP A 42 53.716 -1.280 -9.791 1.00 0.00 O ATOM 604 CB ASP A 42 53.690 0.183 -12.186 1.00 0.00 C ATOM 605 CG ASP A 42 55.132 0.252 -11.682 1.00 0.00 C ATOM 606 OD1 ASP A 42 55.627 -0.762 -11.217 1.00 0.00 O ATOM 607 OD2 ASP A 42 55.722 1.316 -11.774 1.00 0.00 O ATOM 0 H ASP A 42 51.948 -1.975 -13.694 1.00 0.00 H new ATOM 0 HA ASP A 42 53.949 -1.906 -12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 42 53.631 0.561 -13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 42 53.049 0.817 -11.574 1.00 0.00 H new ATOM 612 N GLY A 43 52.070 -2.582 -10.460 1.00 0.00 N ATOM 613 CA GLY A 43 51.820 -3.085 -9.083 1.00 0.00 C ATOM 614 C GLY A 43 50.959 -2.087 -8.330 1.00 0.00 C ATOM 615 O GLY A 43 50.722 -2.238 -7.147 1.00 0.00 O ATOM 0 H GLY A 43 51.457 -2.970 -11.177 1.00 0.00 H new ATOM 0 HA2 GLY A 43 51.322 -4.054 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.765 -3.233 -8.561 1.00 0.00 H new ATOM 619 N ILE A 44 50.487 -1.066 -9.006 1.00 0.00 N ATOM 620 CA ILE A 44 49.639 -0.046 -8.332 1.00 0.00 C ATOM 621 C ILE A 44 48.218 -0.080 -8.923 1.00 0.00 C ATOM 622 O ILE A 44 48.039 -0.050 -10.130 1.00 0.00 O ATOM 623 CB ILE A 44 50.237 1.339 -8.541 1.00 0.00 C ATOM 624 CG1 ILE A 44 51.708 1.306 -8.127 1.00 0.00 C ATOM 625 CG2 ILE A 44 49.486 2.350 -7.671 1.00 0.00 C ATOM 626 CD1 ILE A 44 52.332 2.681 -8.355 1.00 0.00 C ATOM 0 H ILE A 44 50.656 -0.900 -9.998 1.00 0.00 H new ATOM 0 HA ILE A 44 49.596 -0.267 -7.265 1.00 0.00 H new ATOM 0 HB ILE A 44 50.152 1.629 -9.588 1.00 0.00 H new ATOM 0 HG12 ILE A 44 51.795 1.025 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 44 52.243 0.552 -8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 44 49.911 3.343 -7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 44 48.433 2.361 -7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 44 49.578 2.067 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 44 53.381 2.658 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 44 52.258 2.944 -9.410 1.00 0.00 H new ATOM 0 HD13 ILE A 44 51.803 3.424 -7.758 1.00 0.00 H new ATOM 638 N PRO A 45 47.208 -0.140 -8.082 1.00 0.00 N ATOM 639 CA PRO A 45 45.786 -0.175 -8.532 1.00 0.00 C ATOM 640 C PRO A 45 45.318 1.159 -9.108 1.00 0.00 C ATOM 641 O PRO A 45 45.790 2.214 -8.732 1.00 0.00 O ATOM 642 CB PRO A 45 45.010 -0.533 -7.256 1.00 0.00 C ATOM 643 CG PRO A 45 45.871 -0.067 -6.127 1.00 0.00 C ATOM 644 CD PRO A 45 47.309 -0.181 -6.612 1.00 0.00 C ATOM 0 HA PRO A 45 45.634 -0.888 -9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 45 44.037 -0.042 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 45 44.827 -1.606 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 45 45.633 0.961 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 45 45.711 -0.677 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 45 47.921 0.637 -6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 45 47.770 -1.108 -6.272 1.00 0.00 H new ATOM 652 N VAL A 46 44.391 1.107 -10.022 1.00 0.00 N ATOM 653 CA VAL A 46 43.870 2.357 -10.643 1.00 0.00 C ATOM 654 C VAL A 46 42.653 2.856 -9.870 1.00 0.00 C ATOM 655 O VAL A 46 41.576 2.306 -9.959 1.00 0.00 O ATOM 656 CB VAL A 46 43.474 2.075 -12.088 1.00 0.00 C ATOM 657 CG1 VAL A 46 42.886 3.341 -12.710 1.00 0.00 C ATOM 658 CG2 VAL A 46 44.717 1.650 -12.876 1.00 0.00 C ATOM 0 H VAL A 46 43.968 0.246 -10.369 1.00 0.00 H new ATOM 0 HA VAL A 46 44.646 3.122 -10.616 1.00 0.00 H new ATOM 0 HB VAL A 46 42.731 1.278 -12.117 1.00 0.00 H new ATOM 0 HG11 VAL A 46 42.602 3.141 -13.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 42.006 3.649 -12.145 1.00 0.00 H new ATOM 0 HG13 VAL A 46 43.630 4.138 -12.686 1.00 0.00 H new ATOM 0 HG21 VAL A 46 44.440 1.447 -13.910 1.00 0.00 H new ATOM 0 HG22 VAL A 46 45.456 2.450 -12.849 1.00 0.00 H new ATOM 0 HG23 VAL A 46 45.140 0.750 -12.430 1.00 0.00 H new ATOM 668 N LEU A 47 42.826 3.911 -9.125 1.00 0.00 N ATOM 669 CA LEU A 47 41.699 4.493 -8.341 1.00 0.00 C ATOM 670 C LEU A 47 41.190 5.736 -9.047 1.00 0.00 C ATOM 671 O LEU A 47 40.461 6.521 -8.481 1.00 0.00 O ATOM 672 CB LEU A 47 42.198 4.849 -6.930 1.00 0.00 C ATOM 673 CG LEU A 47 42.109 3.605 -6.031 1.00 0.00 C ATOM 674 CD1 LEU A 47 40.624 3.256 -5.761 1.00 0.00 C ATOM 675 CD2 LEU A 47 42.805 2.417 -6.720 1.00 0.00 C ATOM 0 H LEU A 47 43.714 4.403 -9.024 1.00 0.00 H new ATOM 0 HA LEU A 47 40.886 3.772 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 47 43.227 5.207 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 47 41.598 5.657 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 47 42.605 3.813 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 47 40.568 2.374 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 47 40.138 4.095 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 47 40.120 3.053 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 47 42.740 1.537 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 47 42.316 2.211 -7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 47 43.853 2.661 -6.896 1.00 0.00 H new ATOM 687 N LEU A 48 41.562 5.911 -10.283 1.00 0.00 N ATOM 688 CA LEU A 48 41.102 7.103 -11.051 1.00 0.00 C ATOM 689 C LEU A 48 40.004 6.692 -12.023 1.00 0.00 C ATOM 690 O LEU A 48 40.109 5.712 -12.731 1.00 0.00 O ATOM 691 CB LEU A 48 42.281 7.693 -11.823 1.00 0.00 C ATOM 692 CG LEU A 48 43.411 8.039 -10.846 1.00 0.00 C ATOM 693 CD1 LEU A 48 44.607 8.588 -11.627 1.00 0.00 C ATOM 694 CD2 LEU A 48 42.922 9.095 -9.840 1.00 0.00 C ATOM 0 H LEU A 48 42.170 5.275 -10.799 1.00 0.00 H new ATOM 0 HA LEU A 48 40.709 7.851 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 48 42.635 6.980 -12.567 1.00 0.00 H new ATOM 0 HB3 LEU A 48 41.966 8.586 -12.362 1.00 0.00 H new ATOM 0 HG LEU A 48 43.710 7.141 -10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.412 8.835 -10.934 1.00 0.00 H new ATOM 0 HD12 LEU A 48 44.955 7.836 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 48 44.307 9.485 -12.169 1.00 0.00 H new ATOM 0 HD21 LEU A 48 43.728 9.338 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 48 42.620 9.995 -10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 48 42.072 8.701 -9.283 1.00 0.00 H new ATOM 706 N VAL A 49 38.948 7.449 -12.048 1.00 0.00 N ATOM 707 CA VAL A 49 37.808 7.148 -12.955 1.00 0.00 C ATOM 708 C VAL A 49 38.261 7.275 -14.408 1.00 0.00 C ATOM 709 O VAL A 49 37.875 6.498 -15.261 1.00 0.00 O ATOM 710 CB VAL A 49 36.671 8.133 -12.690 1.00 0.00 C ATOM 711 CG1 VAL A 49 35.529 7.863 -13.671 1.00 0.00 C ATOM 712 CG2 VAL A 49 36.165 7.953 -11.257 1.00 0.00 C ATOM 0 H VAL A 49 38.823 8.279 -11.468 1.00 0.00 H new ATOM 0 HA VAL A 49 37.460 6.132 -12.771 1.00 0.00 H new ATOM 0 HB VAL A 49 37.033 9.153 -12.822 1.00 0.00 H new ATOM 0 HG11 VAL A 49 34.716 8.564 -13.485 1.00 0.00 H new ATOM 0 HG12 VAL A 49 35.889 7.988 -14.692 1.00 0.00 H new ATOM 0 HG13 VAL A 49 35.167 6.844 -13.536 1.00 0.00 H new ATOM 0 HG21 VAL A 49 35.354 8.655 -11.067 1.00 0.00 H new ATOM 0 HG22 VAL A 49 35.801 6.934 -11.125 1.00 0.00 H new ATOM 0 HG23 VAL A 49 36.979 8.141 -10.557 1.00 0.00 H new ATOM 722 N ASP A 50 39.052 8.267 -14.698 1.00 0.00 N ATOM 723 CA ASP A 50 39.519 8.475 -16.099 1.00 0.00 C ATOM 724 C ASP A 50 40.283 7.243 -16.579 1.00 0.00 C ATOM 725 O ASP A 50 40.157 6.829 -17.714 1.00 0.00 O ATOM 726 CB ASP A 50 40.455 9.697 -16.140 1.00 0.00 C ATOM 727 CG ASP A 50 39.632 10.981 -16.272 1.00 0.00 C ATOM 728 OD1 ASP A 50 38.684 10.976 -17.039 1.00 0.00 O ATOM 729 OD2 ASP A 50 39.964 11.945 -15.602 1.00 0.00 O ATOM 0 H ASP A 50 39.399 8.948 -14.022 1.00 0.00 H new ATOM 0 HA ASP A 50 38.658 8.640 -16.747 1.00 0.00 H new ATOM 0 HB2 ASP A 50 41.059 9.734 -15.233 1.00 0.00 H new ATOM 0 HB3 ASP A 50 41.145 9.609 -16.979 1.00 0.00 H new ATOM 734 N GLU A 51 41.077 6.661 -15.728 1.00 0.00 N ATOM 735 CA GLU A 51 41.861 5.457 -16.133 1.00 0.00 C ATOM 736 C GLU A 51 41.058 4.201 -15.796 1.00 0.00 C ATOM 737 O GLU A 51 41.446 3.096 -16.123 1.00 0.00 O ATOM 738 CB GLU A 51 43.187 5.440 -15.367 1.00 0.00 C ATOM 739 CG GLU A 51 44.058 6.606 -15.840 1.00 0.00 C ATOM 740 CD GLU A 51 45.352 6.649 -15.027 1.00 0.00 C ATOM 741 OE1 GLU A 51 45.530 5.786 -14.183 1.00 0.00 O ATOM 742 OE2 GLU A 51 46.147 7.545 -15.262 1.00 0.00 O ATOM 0 H GLU A 51 41.220 6.966 -14.765 1.00 0.00 H new ATOM 0 HA GLU A 51 42.061 5.485 -17.204 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.003 5.520 -14.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.704 4.495 -15.532 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.287 6.494 -16.900 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.516 7.545 -15.728 1.00 0.00 H new ATOM 749 N ALA A 52 39.942 4.370 -15.145 1.00 0.00 N ATOM 750 CA ALA A 52 39.097 3.197 -14.771 1.00 0.00 C ATOM 751 C ALA A 52 38.451 2.598 -16.013 1.00 0.00 C ATOM 752 O ALA A 52 38.251 3.265 -17.009 1.00 0.00 O ATOM 753 CB ALA A 52 38.010 3.642 -13.797 1.00 0.00 C ATOM 0 H ALA A 52 39.574 5.276 -14.853 1.00 0.00 H new ATOM 0 HA ALA A 52 39.727 2.443 -14.299 1.00 0.00 H new ATOM 0 HB1 ALA A 52 37.393 2.786 -13.524 1.00 0.00 H new ATOM 0 HB2 ALA A 52 38.472 4.057 -12.901 1.00 0.00 H new ATOM 0 HB3 ALA A 52 37.387 4.402 -14.269 1.00 0.00 H new ATOM 759 N ARG A 53 38.128 1.333 -15.953 1.00 0.00 N ATOM 760 CA ARG A 53 37.498 0.651 -17.124 1.00 0.00 C ATOM 761 C ARG A 53 35.991 0.547 -16.921 1.00 0.00 C ATOM 762 O ARG A 53 35.502 0.245 -15.839 1.00 0.00 O ATOM 763 CB ARG A 53 38.089 -0.749 -17.275 1.00 0.00 C ATOM 764 CG ARG A 53 39.550 -0.642 -17.721 1.00 0.00 C ATOM 765 CD ARG A 53 40.136 -2.048 -17.902 1.00 0.00 C ATOM 766 NE ARG A 53 40.202 -2.735 -16.580 1.00 0.00 N ATOM 767 CZ ARG A 53 40.622 -3.971 -16.498 1.00 0.00 C ATOM 768 NH1 ARG A 53 40.994 -4.616 -17.571 1.00 0.00 N ATOM 769 NH2 ARG A 53 40.667 -4.561 -15.336 1.00 0.00 N ATOM 0 H ARG A 53 38.274 0.738 -15.138 1.00 0.00 H new ATOM 0 HA ARG A 53 37.696 1.233 -18.024 1.00 0.00 H new ATOM 0 HB2 ARG A 53 38.025 -1.286 -16.329 1.00 0.00 H new ATOM 0 HB3 ARG A 53 37.516 -1.320 -18.005 1.00 0.00 H new ATOM 0 HG2 ARG A 53 39.616 -0.086 -18.656 1.00 0.00 H new ATOM 0 HG3 ARG A 53 40.127 -0.089 -16.980 1.00 0.00 H new ATOM 0 HD2 ARG A 53 39.520 -2.624 -18.592 1.00 0.00 H new ATOM 0 HD3 ARG A 53 41.132 -1.984 -18.341 1.00 0.00 H new ATOM 0 HE ARG A 53 39.918 -2.238 -15.735 1.00 0.00 H new ATOM 0 HH11 ARG A 53 40.958 -4.156 -18.481 1.00 0.00 H new ATOM 0 HH12 ARG A 53 41.320 -5.580 -17.499 1.00 0.00 H new ATOM 0 HH21 ARG A 53 40.376 -4.059 -14.497 1.00 0.00 H new ATOM 0 HH22 ARG A 53 40.994 -5.525 -15.266 1.00 0.00 H new ATOM 783 N ARG A 54 35.257 0.810 -17.969 1.00 0.00 N ATOM 784 CA ARG A 54 33.778 0.761 -17.892 1.00 0.00 C ATOM 785 C ARG A 54 33.335 -0.544 -17.238 1.00 0.00 C ATOM 786 O ARG A 54 34.117 -1.461 -17.068 1.00 0.00 O ATOM 787 CB ARG A 54 33.194 0.864 -19.325 1.00 0.00 C ATOM 788 CG ARG A 54 32.622 2.268 -19.553 1.00 0.00 C ATOM 789 CD ARG A 54 31.946 2.334 -20.921 1.00 0.00 C ATOM 790 NE ARG A 54 32.980 2.249 -21.988 1.00 0.00 N ATOM 791 CZ ARG A 54 32.625 2.113 -23.238 1.00 0.00 C ATOM 792 NH1 ARG A 54 31.362 2.053 -23.564 1.00 0.00 N ATOM 793 NH2 ARG A 54 33.540 2.035 -24.165 1.00 0.00 N ATOM 0 H ARG A 54 35.630 1.060 -18.885 1.00 0.00 H new ATOM 0 HA ARG A 54 33.414 1.593 -17.290 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.971 0.654 -20.060 1.00 0.00 H new ATOM 0 HB3 ARG A 54 32.413 0.116 -19.464 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.903 2.510 -18.770 1.00 0.00 H new ATOM 0 HG3 ARG A 54 33.419 3.009 -19.494 1.00 0.00 H new ATOM 0 HD2 ARG A 54 31.232 1.517 -21.026 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.384 3.263 -21.017 1.00 0.00 H new ATOM 0 HE ARG A 54 33.969 2.297 -21.743 1.00 0.00 H new ATOM 0 HH11 ARG A 54 30.645 2.112 -22.841 1.00 0.00 H new ATOM 0 HH12 ARG A 54 31.092 1.947 -24.542 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.527 2.080 -23.912 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.268 1.929 -25.142 1.00 0.00 H new ATOM 807 N PRO A 55 32.079 -0.624 -16.872 1.00 0.00 N ATOM 808 CA PRO A 55 31.520 -1.840 -16.226 1.00 0.00 C ATOM 809 C PRO A 55 31.878 -3.124 -16.973 1.00 0.00 C ATOM 810 O PRO A 55 31.791 -3.206 -18.184 1.00 0.00 O ATOM 811 CB PRO A 55 30.003 -1.599 -16.246 1.00 0.00 C ATOM 812 CG PRO A 55 29.844 -0.113 -16.272 1.00 0.00 C ATOM 813 CD PRO A 55 31.051 0.433 -17.027 1.00 0.00 C ATOM 0 HA PRO A 55 31.924 -1.984 -15.224 1.00 0.00 H new ATOM 0 HB2 PRO A 55 29.542 -2.060 -17.120 1.00 0.00 H new ATOM 0 HB3 PRO A 55 29.524 -2.031 -15.368 1.00 0.00 H new ATOM 0 HG2 PRO A 55 28.915 0.170 -16.767 1.00 0.00 H new ATOM 0 HG3 PRO A 55 29.802 0.291 -15.261 1.00 0.00 H new ATOM 0 HD2 PRO A 55 30.818 0.612 -18.077 1.00 0.00 H new ATOM 0 HD3 PRO A 55 31.388 1.382 -16.609 1.00 0.00 H new ATOM 821 N GLU A 56 32.280 -4.126 -16.241 1.00 0.00 N ATOM 822 CA GLU A 56 32.652 -5.425 -16.866 1.00 0.00 C ATOM 823 C GLU A 56 33.650 -5.188 -18.003 1.00 0.00 C ATOM 824 O GLU A 56 34.835 -5.329 -17.761 1.00 0.00 O ATOM 825 CB GLU A 56 31.401 -6.114 -17.412 1.00 0.00 C ATOM 826 CG GLU A 56 31.787 -7.487 -17.965 1.00 0.00 C ATOM 827 CD GLU A 56 30.536 -8.215 -18.460 1.00 0.00 C ATOM 828 OE1 GLU A 56 29.509 -7.568 -18.583 1.00 0.00 O ATOM 829 OE2 GLU A 56 30.628 -9.406 -18.707 1.00 0.00 O ATOM 830 OXT GLU A 56 33.209 -4.874 -19.099 1.00 0.00 O ATOM 0 H GLU A 56 32.367 -4.099 -15.225 1.00 0.00 H new ATOM 0 HA GLU A 56 33.113 -6.064 -16.113 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.657 -6.222 -16.623 1.00 0.00 H new ATOM 0 HB3 GLU A 56 30.949 -5.506 -18.196 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.500 -7.373 -18.782 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.280 -8.076 -17.191 1.00 0.00 H new TER 837 GLU A 56 HETATM 838 ZN ZN A 150 31.326 1.491 -6.954 1.00 0.00 ZN