USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -4.16! C(o=-4.2!,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0824 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.0971 (180deg=-0.418) USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= -0.0763 (180deg=-0.405) USER MOD Single : A 13 ASN : amide:sc= -0.673 K(o=-0.67,f=0.8) USER MOD Single : A 17 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.28) USER MOD Single : A 25 GLN : amide:sc=-0.00424 X(o=-0.0042,f=-0.33) USER MOD Single : A 29 THR OG1 : rot -78:sc= 0.819 USER MOD Single : A 39 ASN : amide:sc= -0.575 K(o=-0.57,f=0.73) USER MOD Single : A 50 TYR OH : rot -17:sc= 0.0476 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.329 K(o=-0.33,f=-1.7!) USER MOD Single : A 63 GLN : amide:sc=-0.00532 X(o=-0.0053,f=-0.47) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00678) USER MOD Single : A 66 THR OG1 : rot 96:sc= 0.692 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00984) USER MOD Single : A 74 SER OG : rot -6:sc= 0.28! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 92 SER OG : rot 31:sc= 0.0922 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.704 37.269 18.246 1.00 0.00 N ATOM 2 CA GLY A 1 -34.529 36.419 18.309 1.00 0.00 C ATOM 3 C GLY A 1 -33.268 37.139 17.874 1.00 0.00 C ATOM 4 O GLY A 1 -33.323 38.282 17.419 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.027 37.486 19.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.467 38.153 17.753 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.461 36.777 17.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.402 36.055 19.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.682 35.546 17.675 1.00 0.00 H new ATOM 8 N SER A 2 -32.128 36.470 18.014 1.00 0.00 N ATOM 9 CA SER A 2 -30.847 37.056 17.638 1.00 0.00 C ATOM 10 C SER A 2 -29.734 36.014 17.700 1.00 0.00 C ATOM 11 O SER A 2 -29.672 35.212 18.632 1.00 0.00 O ATOM 12 CB SER A 2 -30.511 38.233 18.555 1.00 0.00 C ATOM 13 OG SER A 2 -30.029 37.782 19.808 1.00 0.00 O ATOM 0 H SER A 2 -32.065 35.522 18.385 1.00 0.00 H new ATOM 0 HA SER A 2 -30.928 37.416 16.612 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.761 38.866 18.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.399 38.847 18.703 1.00 0.00 H new ATOM 0 HG SER A 2 -29.820 38.553 20.375 1.00 0.00 H new ATOM 19 N SER A 3 -28.857 36.033 16.702 1.00 0.00 N ATOM 20 CA SER A 3 -27.748 35.088 16.640 1.00 0.00 C ATOM 21 C SER A 3 -26.725 35.519 15.593 1.00 0.00 C ATOM 22 O SER A 3 -26.913 36.517 14.899 1.00 0.00 O ATOM 23 CB SER A 3 -28.264 33.685 16.317 1.00 0.00 C ATOM 24 OG SER A 3 -27.288 32.702 16.616 1.00 0.00 O ATOM 0 H SER A 3 -28.893 36.693 15.925 1.00 0.00 H new ATOM 0 HA SER A 3 -27.261 35.073 17.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.171 33.487 16.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.532 33.627 15.262 1.00 0.00 H new ATOM 0 HG SER A 3 -27.642 31.814 16.403 1.00 0.00 H new ATOM 30 N GLY A 4 -25.640 34.758 15.487 1.00 0.00 N ATOM 31 CA GLY A 4 -24.602 35.077 14.524 1.00 0.00 C ATOM 32 C GLY A 4 -23.320 34.309 14.778 1.00 0.00 C ATOM 33 O GLY A 4 -23.108 33.786 15.872 1.00 0.00 O ATOM 0 H GLY A 4 -25.461 33.927 16.050 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.962 34.855 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.394 36.146 14.559 1.00 0.00 H new ATOM 37 N SER A 5 -22.463 34.239 13.764 1.00 0.00 N ATOM 38 CA SER A 5 -21.198 33.524 13.881 1.00 0.00 C ATOM 39 C SER A 5 -20.249 33.910 12.750 1.00 0.00 C ATOM 40 O SER A 5 -20.633 33.923 11.580 1.00 0.00 O ATOM 41 CB SER A 5 -21.438 32.013 13.867 1.00 0.00 C ATOM 42 OG SER A 5 -21.918 31.584 12.604 1.00 0.00 O ATOM 0 H SER A 5 -22.622 34.669 12.853 1.00 0.00 H new ATOM 0 HA SER A 5 -20.738 33.803 14.829 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.510 31.492 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.158 31.749 14.642 1.00 0.00 H new ATOM 0 HG SER A 5 -22.062 30.615 12.621 1.00 0.00 H new ATOM 48 N SER A 6 -19.009 34.224 13.108 1.00 0.00 N ATOM 49 CA SER A 6 -18.005 34.614 12.124 1.00 0.00 C ATOM 50 C SER A 6 -16.620 34.683 12.760 1.00 0.00 C ATOM 51 O SER A 6 -16.414 35.376 13.755 1.00 0.00 O ATOM 52 CB SER A 6 -18.363 35.968 11.508 1.00 0.00 C ATOM 53 OG SER A 6 -17.874 36.071 10.183 1.00 0.00 O ATOM 0 H SER A 6 -18.675 34.216 14.072 1.00 0.00 H new ATOM 0 HA SER A 6 -17.989 33.858 11.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.445 36.097 11.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.945 36.770 12.117 1.00 0.00 H new ATOM 0 HG SER A 6 -18.117 36.945 9.811 1.00 0.00 H new ATOM 59 N GLY A 7 -15.671 33.956 12.176 1.00 0.00 N ATOM 60 CA GLY A 7 -14.317 33.947 12.698 1.00 0.00 C ATOM 61 C GLY A 7 -13.284 33.667 11.625 1.00 0.00 C ATOM 62 O GLY A 7 -13.591 33.623 10.433 1.00 0.00 O ATOM 0 H GLY A 7 -15.816 33.374 11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.103 34.910 13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.238 33.192 13.480 1.00 0.00 H new ATOM 66 N PRO A 8 -12.025 33.474 12.045 1.00 0.00 N ATOM 67 CA PRO A 8 -10.917 33.194 11.127 1.00 0.00 C ATOM 68 C PRO A 8 -11.023 31.811 10.495 1.00 0.00 C ATOM 69 O PRO A 8 -11.951 31.054 10.784 1.00 0.00 O ATOM 70 CB PRO A 8 -9.681 33.279 12.026 1.00 0.00 C ATOM 71 CG PRO A 8 -10.185 32.969 13.393 1.00 0.00 C ATOM 72 CD PRO A 8 -11.586 33.512 13.451 1.00 0.00 C ATOM 0 HA PRO A 8 -10.898 33.889 10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.916 32.568 11.715 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.230 34.270 11.986 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.175 31.895 13.578 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.556 33.430 14.155 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.227 32.903 14.089 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.608 34.525 13.852 1.00 0.00 H new ATOM 80 N LYS A 9 -10.067 31.485 9.632 1.00 0.00 N ATOM 81 CA LYS A 9 -10.050 30.191 8.960 1.00 0.00 C ATOM 82 C LYS A 9 -9.985 29.052 9.973 1.00 0.00 C ATOM 83 O LYS A 9 -9.121 29.018 10.849 1.00 0.00 O ATOM 84 CB LYS A 9 -8.859 30.105 8.003 1.00 0.00 C ATOM 85 CG LYS A 9 -8.960 31.053 6.820 1.00 0.00 C ATOM 86 CD LYS A 9 -10.049 30.623 5.852 1.00 0.00 C ATOM 87 CE LYS A 9 -9.997 31.426 4.562 1.00 0.00 C ATOM 88 NZ LYS A 9 -8.738 31.180 3.806 1.00 0.00 N ATOM 0 H LYS A 9 -9.293 32.100 9.381 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.974 30.094 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.944 30.322 8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.774 29.083 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.167 32.062 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.003 31.090 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.938 29.562 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.025 30.749 6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.852 31.166 3.938 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.081 32.488 4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.865 31.471 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.964 31.730 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.504 30.167 3.842 1.00 0.00 H new ATOM 102 N PRO A 10 -10.919 28.097 9.852 1.00 0.00 N ATOM 103 CA PRO A 10 -10.987 26.938 10.747 1.00 0.00 C ATOM 104 C PRO A 10 -9.829 25.971 10.532 1.00 0.00 C ATOM 105 O PRO A 10 -8.965 26.198 9.683 1.00 0.00 O ATOM 106 CB PRO A 10 -12.314 26.276 10.370 1.00 0.00 C ATOM 107 CG PRO A 10 -12.558 26.692 8.960 1.00 0.00 C ATOM 108 CD PRO A 10 -11.980 28.074 8.830 1.00 0.00 C ATOM 0 HA PRO A 10 -10.923 27.229 11.796 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.254 25.191 10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.121 26.605 11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.083 26.003 8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.624 26.692 8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.580 28.250 7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.731 28.843 9.013 1.00 0.00 H new ATOM 116 N LEU A 11 -9.815 24.890 11.304 1.00 0.00 N ATOM 117 CA LEU A 11 -8.762 23.886 11.198 1.00 0.00 C ATOM 118 C LEU A 11 -8.453 23.574 9.737 1.00 0.00 C ATOM 119 O LEU A 11 -9.357 23.329 8.938 1.00 0.00 O ATOM 120 CB LEU A 11 -9.174 22.607 11.928 1.00 0.00 C ATOM 121 CG LEU A 11 -8.044 21.819 12.591 1.00 0.00 C ATOM 122 CD1 LEU A 11 -7.086 21.275 11.543 1.00 0.00 C ATOM 123 CD2 LEU A 11 -7.301 22.692 13.593 1.00 0.00 C ATOM 0 H LEU A 11 -10.522 24.686 12.011 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.862 24.288 11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.905 22.869 12.693 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.678 21.953 11.216 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.481 20.976 13.127 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.288 20.717 12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.626 20.615 10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.656 22.102 10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.500 22.115 14.055 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.877 23.555 13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.994 23.033 14.363 1.00 0.00 H new ATOM 135 N LYS A 12 -7.169 23.583 9.394 1.00 0.00 N ATOM 136 CA LYS A 12 -6.739 23.298 8.031 1.00 0.00 C ATOM 137 C LYS A 12 -7.664 22.281 7.370 1.00 0.00 C ATOM 138 O LYS A 12 -8.082 21.309 7.997 1.00 0.00 O ATOM 139 CB LYS A 12 -5.301 22.773 8.027 1.00 0.00 C ATOM 140 CG LYS A 12 -4.292 23.760 8.588 1.00 0.00 C ATOM 141 CD LYS A 12 -3.828 24.746 7.528 1.00 0.00 C ATOM 142 CE LYS A 12 -2.429 25.264 7.823 1.00 0.00 C ATOM 143 NZ LYS A 12 -1.402 24.193 7.691 1.00 0.00 N ATOM 0 H LYS A 12 -6.408 23.785 10.042 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.782 24.226 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.258 21.852 8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.019 22.519 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.738 24.303 9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.433 23.218 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.840 24.264 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.524 25.583 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.192 26.080 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.399 25.674 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.476 24.623 7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.351 23.650 8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.662 23.557 6.910 1.00 0.00 H new ATOM 157 N ASN A 13 -7.978 22.512 6.099 1.00 0.00 N ATOM 158 CA ASN A 13 -8.853 21.615 5.353 1.00 0.00 C ATOM 159 C ASN A 13 -8.666 20.170 5.807 1.00 0.00 C ATOM 160 O ASN A 13 -7.583 19.599 5.667 1.00 0.00 O ATOM 161 CB ASN A 13 -8.576 21.730 3.853 1.00 0.00 C ATOM 162 CG ASN A 13 -7.094 21.824 3.544 1.00 0.00 C ATOM 163 OD1 ASN A 13 -6.312 20.954 3.928 1.00 0.00 O ATOM 164 ND2 ASN A 13 -6.702 22.884 2.847 1.00 0.00 N ATOM 0 H ASN A 13 -7.640 23.312 5.565 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.884 21.908 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.997 20.865 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.083 22.611 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.717 23.002 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.386 23.580 2.550 1.00 0.00 H new ATOM 171 N LEU A 14 -9.727 19.585 6.351 1.00 0.00 N ATOM 172 CA LEU A 14 -9.681 18.206 6.825 1.00 0.00 C ATOM 173 C LEU A 14 -9.947 17.229 5.685 1.00 0.00 C ATOM 174 O LEU A 14 -10.639 16.226 5.862 1.00 0.00 O ATOM 175 CB LEU A 14 -10.704 17.996 7.942 1.00 0.00 C ATOM 176 CG LEU A 14 -10.229 18.320 9.359 1.00 0.00 C ATOM 177 CD1 LEU A 14 -10.303 19.817 9.617 1.00 0.00 C ATOM 178 CD2 LEU A 14 -11.053 17.558 10.386 1.00 0.00 C ATOM 0 H LEU A 14 -10.630 20.044 6.475 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.682 18.015 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.579 18.608 7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.029 16.956 7.919 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.189 18.007 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.961 20.029 10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.668 20.341 8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.333 20.155 9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.700 17.801 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.102 17.839 10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.948 16.487 10.214 1.00 0.00 H new ATOM 190 N ASP A 15 -9.392 17.527 4.515 1.00 0.00 N ATOM 191 CA ASP A 15 -9.567 16.673 3.346 1.00 0.00 C ATOM 192 C ASP A 15 -9.646 15.204 3.753 1.00 0.00 C ATOM 193 O ASP A 15 -10.648 14.535 3.507 1.00 0.00 O ATOM 194 CB ASP A 15 -8.416 16.880 2.360 1.00 0.00 C ATOM 195 CG ASP A 15 -7.089 17.102 3.057 1.00 0.00 C ATOM 196 OD1 ASP A 15 -6.776 18.267 3.381 1.00 0.00 O ATOM 197 OD2 ASP A 15 -6.361 16.111 3.279 1.00 0.00 O ATOM 0 H ASP A 15 -8.817 18.354 4.351 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.504 16.949 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.339 16.010 1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.636 17.737 1.724 1.00 0.00 H new ATOM 202 N GLY A 16 -8.580 14.710 4.376 1.00 0.00 N ATOM 203 CA GLY A 16 -8.549 13.324 4.805 1.00 0.00 C ATOM 204 C GLY A 16 -7.371 12.564 4.227 1.00 0.00 C ATOM 205 O GLY A 16 -6.873 11.621 4.841 1.00 0.00 O ATOM 0 H GLY A 16 -7.738 15.244 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.504 13.285 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.476 12.834 4.506 1.00 0.00 H new ATOM 209 N GLN A 17 -6.928 12.975 3.044 1.00 0.00 N ATOM 210 CA GLN A 17 -5.803 12.324 2.383 1.00 0.00 C ATOM 211 C GLN A 17 -4.741 11.910 3.396 1.00 0.00 C ATOM 212 O GLN A 17 -4.017 10.936 3.189 1.00 0.00 O ATOM 213 CB GLN A 17 -5.189 13.257 1.337 1.00 0.00 C ATOM 214 CG GLN A 17 -6.109 13.539 0.159 1.00 0.00 C ATOM 215 CD GLN A 17 -5.550 14.591 -0.778 1.00 0.00 C ATOM 216 OE1 GLN A 17 -5.062 15.633 -0.341 1.00 0.00 O ATOM 217 NE2 GLN A 17 -5.618 14.322 -2.077 1.00 0.00 N ATOM 0 H GLN A 17 -7.330 13.755 2.524 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.176 11.428 1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.924 14.200 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.263 12.816 0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.276 12.616 -0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.079 13.868 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.031 13.445 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.257 14.992 -2.756 1.00 0.00 H new ATOM 226 N PHE A 18 -4.654 12.656 4.493 1.00 0.00 N ATOM 227 CA PHE A 18 -3.679 12.366 5.539 1.00 0.00 C ATOM 228 C PHE A 18 -3.932 10.992 6.152 1.00 0.00 C ATOM 229 O PHE A 18 -5.008 10.728 6.690 1.00 0.00 O ATOM 230 CB PHE A 18 -3.733 13.441 6.626 1.00 0.00 C ATOM 231 CG PHE A 18 -3.449 14.825 6.116 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.465 15.605 5.588 1.00 0.00 C ATOM 233 CD2 PHE A 18 -2.166 15.345 6.165 1.00 0.00 C ATOM 234 CE1 PHE A 18 -4.207 16.879 5.119 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.902 16.619 5.697 1.00 0.00 C ATOM 236 CZ PHE A 18 -2.924 17.386 5.172 1.00 0.00 C ATOM 0 H PHE A 18 -5.246 13.465 4.681 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.687 12.365 5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.720 13.429 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.012 13.195 7.405 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.470 15.213 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.363 14.749 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.008 17.477 4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.898 17.014 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.720 18.380 4.804 1.00 0.00 H new ATOM 246 N CYS A 19 -2.933 10.120 6.067 1.00 0.00 N ATOM 247 CA CYS A 19 -3.045 8.773 6.612 1.00 0.00 C ATOM 248 C CYS A 19 -3.569 8.807 8.044 1.00 0.00 C ATOM 249 O CYS A 19 -3.392 9.795 8.757 1.00 0.00 O ATOM 250 CB CYS A 19 -1.687 8.069 6.571 1.00 0.00 C ATOM 251 SG CYS A 19 -1.670 6.437 7.381 1.00 0.00 S ATOM 0 H CYS A 19 -2.036 10.323 5.625 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.754 8.218 5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.383 7.950 5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.944 8.708 7.049 1.00 0.00 H new ATOM 256 N GLU A 20 -4.215 7.721 8.459 1.00 0.00 N ATOM 257 CA GLU A 20 -4.765 7.628 9.806 1.00 0.00 C ATOM 258 C GLU A 20 -3.911 6.716 10.681 1.00 0.00 C ATOM 259 O GLU A 20 -3.666 7.011 11.851 1.00 0.00 O ATOM 260 CB GLU A 20 -6.203 7.108 9.758 1.00 0.00 C ATOM 261 CG GLU A 20 -7.242 8.203 9.584 1.00 0.00 C ATOM 262 CD GLU A 20 -7.670 8.817 10.903 1.00 0.00 C ATOM 263 OE1 GLU A 20 -6.996 9.762 11.364 1.00 0.00 O ATOM 264 OE2 GLU A 20 -8.679 8.352 11.473 1.00 0.00 O ATOM 0 H GLU A 20 -4.370 6.894 7.882 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.762 8.627 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.296 6.397 8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.414 6.562 10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.838 8.983 8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.116 7.792 9.078 1.00 0.00 H new ATOM 271 N ILE A 21 -3.462 5.605 10.105 1.00 0.00 N ATOM 272 CA ILE A 21 -2.635 4.650 10.832 1.00 0.00 C ATOM 273 C ILE A 21 -1.517 5.356 11.592 1.00 0.00 C ATOM 274 O ILE A 21 -1.458 5.303 12.821 1.00 0.00 O ATOM 275 CB ILE A 21 -2.015 3.606 9.883 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.114 2.857 9.127 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.143 2.634 10.663 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.589 1.980 8.012 1.00 0.00 C ATOM 0 H ILE A 21 -3.657 5.345 9.138 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.289 4.143 11.541 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.388 4.123 9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.673 2.240 9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.815 3.580 8.710 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.712 1.903 9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.342 3.182 11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.749 2.120 11.409 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.423 1.480 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.055 2.594 7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.911 1.234 8.425 1.00 0.00 H new ATOM 290 N CYS A 22 -0.634 6.019 10.854 1.00 0.00 N ATOM 291 CA CYS A 22 0.481 6.739 11.457 1.00 0.00 C ATOM 292 C CYS A 22 0.176 8.230 11.559 1.00 0.00 C ATOM 293 O CYS A 22 0.398 8.851 12.598 1.00 0.00 O ATOM 294 CB CYS A 22 1.756 6.523 10.639 1.00 0.00 C ATOM 295 SG CYS A 22 1.740 7.336 9.009 1.00 0.00 S ATOM 0 H CYS A 22 -0.669 6.073 9.836 1.00 0.00 H new ATOM 0 HA CYS A 22 0.631 6.348 12.463 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.608 6.893 11.209 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.908 5.453 10.498 1.00 0.00 H new ATOM 300 N GLY A 23 -0.337 8.799 10.472 1.00 0.00 N ATOM 301 CA GLY A 23 -0.665 10.213 10.460 1.00 0.00 C ATOM 302 C GLY A 23 -0.058 10.939 9.276 1.00 0.00 C ATOM 303 O GLY A 23 -0.706 11.783 8.658 1.00 0.00 O ATOM 0 H GLY A 23 -0.531 8.306 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.748 10.331 10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.313 10.672 11.384 1.00 0.00 H new ATOM 307 N ASP A 24 1.191 10.612 8.961 1.00 0.00 N ATOM 308 CA ASP A 24 1.887 11.240 7.844 1.00 0.00 C ATOM 309 C ASP A 24 0.937 11.469 6.672 1.00 0.00 C ATOM 310 O ASP A 24 0.066 10.644 6.397 1.00 0.00 O ATOM 311 CB ASP A 24 3.066 10.374 7.399 1.00 0.00 C ATOM 312 CG ASP A 24 4.044 10.104 8.526 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.736 11.052 8.952 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.115 8.944 8.984 1.00 0.00 O ATOM 0 H ASP A 24 1.742 9.916 9.463 1.00 0.00 H new ATOM 0 HA ASP A 24 2.262 12.207 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.691 9.426 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.588 10.869 6.580 1.00 0.00 H new ATOM 319 N GLN A 25 1.112 12.594 5.987 1.00 0.00 N ATOM 320 CA GLN A 25 0.269 12.932 4.845 1.00 0.00 C ATOM 321 C GLN A 25 0.549 12.003 3.669 1.00 0.00 C ATOM 322 O GLN A 25 1.643 12.013 3.104 1.00 0.00 O ATOM 323 CB GLN A 25 0.497 14.385 4.428 1.00 0.00 C ATOM 324 CG GLN A 25 -0.325 14.809 3.222 1.00 0.00 C ATOM 325 CD GLN A 25 0.126 16.136 2.644 1.00 0.00 C ATOM 326 OE1 GLN A 25 1.321 16.371 2.458 1.00 0.00 O ATOM 327 NE2 GLN A 25 -0.829 17.012 2.357 1.00 0.00 N ATOM 0 H GLN A 25 1.829 13.287 6.202 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.772 12.807 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.257 15.037 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.554 14.528 4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.257 14.040 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.374 14.880 3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.806 16.775 2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.586 17.922 1.966 1.00 0.00 H new ATOM 336 N ILE A 26 -0.446 11.201 3.305 1.00 0.00 N ATOM 337 CA ILE A 26 -0.306 10.267 2.194 1.00 0.00 C ATOM 338 C ILE A 26 0.124 10.987 0.921 1.00 0.00 C ATOM 339 O ILE A 26 -0.626 11.786 0.363 1.00 0.00 O ATOM 340 CB ILE A 26 -1.622 9.513 1.925 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.047 8.724 3.165 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.465 8.585 0.729 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.378 8.023 3.009 1.00 0.00 C ATOM 0 H ILE A 26 -1.357 11.179 3.763 1.00 0.00 H new ATOM 0 HA ILE A 26 0.463 9.549 2.479 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.400 10.241 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.281 7.984 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.101 9.402 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.403 8.059 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.204 9.169 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.676 7.861 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.615 7.484 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.156 8.760 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.323 7.319 2.178 1.00 0.00 H new ATOM 355 N GLY A 27 1.339 10.696 0.465 1.00 0.00 N ATOM 356 CA GLY A 27 1.849 11.323 -0.741 1.00 0.00 C ATOM 357 C GLY A 27 1.021 10.983 -1.964 1.00 0.00 C ATOM 358 O GLY A 27 -0.196 10.819 -1.874 1.00 0.00 O ATOM 0 H GLY A 27 1.979 10.037 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.865 12.404 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.879 11.007 -0.904 1.00 0.00 H new ATOM 362 N LEU A 28 1.681 10.879 -3.113 1.00 0.00 N ATOM 363 CA LEU A 28 0.998 10.558 -4.361 1.00 0.00 C ATOM 364 C LEU A 28 1.494 9.232 -4.928 1.00 0.00 C ATOM 365 O LEU A 28 2.458 8.651 -4.427 1.00 0.00 O ATOM 366 CB LEU A 28 1.214 11.675 -5.384 1.00 0.00 C ATOM 367 CG LEU A 28 0.725 13.065 -4.973 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.125 14.100 -6.013 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.783 13.063 -4.773 1.00 0.00 C ATOM 0 H LEU A 28 2.688 11.012 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.068 10.466 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.280 11.737 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.712 11.394 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 28 1.196 13.329 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.769 15.083 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.211 14.121 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.683 13.840 -6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.113 14.060 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.273 12.777 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.045 12.351 -3.991 1.00 0.00 H new ATOM 381 N THR A 29 0.831 8.758 -5.978 1.00 0.00 N ATOM 382 CA THR A 29 1.204 7.501 -6.614 1.00 0.00 C ATOM 383 C THR A 29 2.328 7.707 -7.623 1.00 0.00 C ATOM 384 O THR A 29 2.741 8.837 -7.885 1.00 0.00 O ATOM 385 CB THR A 29 0.002 6.853 -7.327 1.00 0.00 C ATOM 386 OG1 THR A 29 -0.486 7.724 -8.354 1.00 0.00 O ATOM 387 CG2 THR A 29 -1.115 6.550 -6.339 1.00 0.00 C ATOM 0 H THR A 29 0.032 9.226 -6.406 1.00 0.00 H new ATOM 0 HA THR A 29 1.548 6.837 -5.821 1.00 0.00 H new ATOM 0 HB THR A 29 0.335 5.916 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.028 8.434 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.953 6.093 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.749 5.864 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.445 7.476 -5.867 1.00 0.00 H new ATOM 395 N VAL A 30 2.819 6.609 -8.188 1.00 0.00 N ATOM 396 CA VAL A 30 3.895 6.670 -9.170 1.00 0.00 C ATOM 397 C VAL A 30 3.557 7.643 -10.294 1.00 0.00 C ATOM 398 O VAL A 30 4.432 8.341 -10.806 1.00 0.00 O ATOM 399 CB VAL A 30 4.182 5.283 -9.775 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.276 5.376 -10.828 1.00 0.00 C ATOM 401 CG2 VAL A 30 4.563 4.294 -8.684 1.00 0.00 C ATOM 0 H VAL A 30 2.489 5.666 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 30 4.784 7.020 -8.645 1.00 0.00 H new ATOM 0 HB VAL A 30 3.275 4.922 -10.259 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.465 4.387 -11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.959 6.050 -11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.189 5.758 -10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.762 3.319 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.456 4.647 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.744 4.206 -7.970 1.00 0.00 H new ATOM 411 N GLU A 31 2.284 7.683 -10.673 1.00 0.00 N ATOM 412 CA GLU A 31 1.831 8.571 -11.737 1.00 0.00 C ATOM 413 C GLU A 31 1.575 9.977 -11.201 1.00 0.00 C ATOM 414 O GLU A 31 2.085 10.960 -11.736 1.00 0.00 O ATOM 415 CB GLU A 31 0.559 8.021 -12.385 1.00 0.00 C ATOM 416 CG GLU A 31 0.824 6.970 -13.450 1.00 0.00 C ATOM 417 CD GLU A 31 -0.250 6.940 -14.520 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.493 7.992 -15.147 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.848 5.864 -14.730 1.00 0.00 O ATOM 0 H GLU A 31 1.548 7.111 -10.259 1.00 0.00 H new ATOM 0 HA GLU A 31 2.618 8.625 -12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.076 7.590 -11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.003 8.846 -12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.790 7.165 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.890 5.989 -12.979 1.00 0.00 H new ATOM 426 N GLY A 32 0.779 10.063 -10.139 1.00 0.00 N ATOM 427 CA GLY A 32 0.467 11.351 -9.548 1.00 0.00 C ATOM 428 C GLY A 32 -0.803 11.318 -8.722 1.00 0.00 C ATOM 429 O GLY A 32 -0.942 12.067 -7.755 1.00 0.00 O ATOM 0 H GLY A 32 0.345 9.264 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.298 11.669 -8.918 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.363 12.094 -10.338 1.00 0.00 H new ATOM 433 N ASP A 33 -1.733 10.450 -9.105 1.00 0.00 N ATOM 434 CA ASP A 33 -3.000 10.323 -8.393 1.00 0.00 C ATOM 435 C ASP A 33 -2.765 10.001 -6.921 1.00 0.00 C ATOM 436 O ASP A 33 -1.699 9.515 -6.542 1.00 0.00 O ATOM 437 CB ASP A 33 -3.863 9.236 -9.035 1.00 0.00 C ATOM 438 CG ASP A 33 -3.981 9.401 -10.537 1.00 0.00 C ATOM 439 OD1 ASP A 33 -4.313 10.518 -10.986 1.00 0.00 O ATOM 440 OD2 ASP A 33 -3.742 8.414 -11.264 1.00 0.00 O ATOM 0 H ASP A 33 -1.634 9.824 -9.904 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.523 11.277 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.435 8.258 -8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.858 9.257 -8.591 1.00 0.00 H new ATOM 445 N LEU A 34 -3.768 10.276 -6.094 1.00 0.00 N ATOM 446 CA LEU A 34 -3.671 10.016 -4.661 1.00 0.00 C ATOM 447 C LEU A 34 -3.613 8.518 -4.382 1.00 0.00 C ATOM 448 O LEU A 34 -4.473 7.759 -4.829 1.00 0.00 O ATOM 449 CB LEU A 34 -4.863 10.637 -3.929 1.00 0.00 C ATOM 450 CG LEU A 34 -4.718 10.782 -2.414 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.583 9.417 -1.758 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.522 11.660 -2.074 1.00 0.00 C ATOM 0 H LEU A 34 -4.657 10.679 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.750 10.471 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.050 11.624 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.745 10.031 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.617 11.261 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.481 9.540 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.470 8.821 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.701 8.910 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.434 11.752 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.614 11.209 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.660 12.648 -2.512 1.00 0.00 H new ATOM 464 N PHE A 35 -2.594 8.100 -3.639 1.00 0.00 N ATOM 465 CA PHE A 35 -2.423 6.692 -3.298 1.00 0.00 C ATOM 466 C PHE A 35 -3.575 6.200 -2.426 1.00 0.00 C ATOM 467 O PHE A 35 -3.506 6.257 -1.198 1.00 0.00 O ATOM 468 CB PHE A 35 -1.092 6.478 -2.574 1.00 0.00 C ATOM 469 CG PHE A 35 -0.801 5.037 -2.269 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.241 4.211 -3.231 1.00 0.00 C ATOM 471 CD2 PHE A 35 -1.086 4.507 -1.021 1.00 0.00 C ATOM 472 CE1 PHE A 35 0.027 2.884 -2.953 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.819 3.181 -0.737 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.261 2.369 -1.704 1.00 0.00 C ATOM 0 H PHE A 35 -1.874 8.716 -3.261 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.421 6.117 -4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.286 6.882 -3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.099 7.044 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.012 4.609 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.522 5.138 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.461 2.250 -3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.047 2.781 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.050 1.333 -1.484 1.00 0.00 H new ATOM 484 N VAL A 36 -4.632 5.717 -3.070 1.00 0.00 N ATOM 485 CA VAL A 36 -5.799 5.215 -2.354 1.00 0.00 C ATOM 486 C VAL A 36 -5.559 3.802 -1.834 1.00 0.00 C ATOM 487 O VAL A 36 -6.033 2.827 -2.415 1.00 0.00 O ATOM 488 CB VAL A 36 -7.051 5.213 -3.252 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.236 4.608 -2.516 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.369 6.624 -3.724 1.00 0.00 C ATOM 0 H VAL A 36 -4.705 5.663 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.966 5.886 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.847 4.598 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.111 4.615 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.003 3.582 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.445 5.193 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.256 6.605 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.553 7.264 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.526 7.016 -4.293 1.00 0.00 H new ATOM 500 N ALA A 37 -4.818 3.700 -0.735 1.00 0.00 N ATOM 501 CA ALA A 37 -4.516 2.407 -0.135 1.00 0.00 C ATOM 502 C ALA A 37 -5.707 1.461 -0.241 1.00 0.00 C ATOM 503 O ALA A 37 -5.649 0.449 -0.941 1.00 0.00 O ATOM 504 CB ALA A 37 -4.107 2.583 1.320 1.00 0.00 C ATOM 0 H ALA A 37 -4.416 4.498 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.684 1.965 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.884 1.609 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.221 3.216 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.922 3.050 1.873 1.00 0.00 H new ATOM 510 N CYS A 38 -6.786 1.795 0.458 1.00 0.00 N ATOM 511 CA CYS A 38 -7.992 0.975 0.444 1.00 0.00 C ATOM 512 C CYS A 38 -9.069 1.607 -0.432 1.00 0.00 C ATOM 513 O CYS A 38 -9.539 2.710 -0.157 1.00 0.00 O ATOM 514 CB CYS A 38 -8.521 0.786 1.867 1.00 0.00 C ATOM 515 SG CYS A 38 -10.189 0.058 1.948 1.00 0.00 S ATOM 0 H CYS A 38 -6.850 2.629 1.042 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.735 0.001 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.830 0.148 2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.533 1.753 2.370 1.00 0.00 H new ATOM 520 N ASN A 39 -9.456 0.899 -1.488 1.00 0.00 N ATOM 521 CA ASN A 39 -10.478 1.391 -2.405 1.00 0.00 C ATOM 522 C ASN A 39 -11.813 0.694 -2.156 1.00 0.00 C ATOM 523 O ASN A 39 -12.589 0.469 -3.084 1.00 0.00 O ATOM 524 CB ASN A 39 -10.040 1.173 -3.855 1.00 0.00 C ATOM 525 CG ASN A 39 -10.757 2.096 -4.820 1.00 0.00 C ATOM 526 OD1 ASN A 39 -11.946 1.929 -5.089 1.00 0.00 O ATOM 527 ND2 ASN A 39 -10.034 3.078 -5.348 1.00 0.00 N ATOM 0 H ASN A 39 -9.078 -0.017 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.606 2.459 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.965 1.333 -3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.230 0.138 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.462 3.730 -6.005 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.051 3.179 -5.097 1.00 0.00 H new ATOM 534 N GLU A 40 -12.072 0.357 -0.896 1.00 0.00 N ATOM 535 CA GLU A 40 -13.313 -0.314 -0.526 1.00 0.00 C ATOM 536 C GLU A 40 -14.121 0.537 0.449 1.00 0.00 C ATOM 537 O GLU A 40 -15.231 0.972 0.140 1.00 0.00 O ATOM 538 CB GLU A 40 -13.014 -1.679 0.097 1.00 0.00 C ATOM 539 CG GLU A 40 -14.239 -2.363 0.680 1.00 0.00 C ATOM 540 CD GLU A 40 -14.963 -3.227 -0.335 1.00 0.00 C ATOM 541 OE1 GLU A 40 -15.258 -2.724 -1.440 1.00 0.00 O ATOM 542 OE2 GLU A 40 -15.234 -4.405 -0.024 1.00 0.00 O ATOM 0 H GLU A 40 -11.440 0.537 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.903 -0.458 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.573 -2.326 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.269 -1.555 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.938 -2.979 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.925 -1.607 1.063 1.00 0.00 H new ATOM 549 N CYS A 41 -13.556 0.771 1.629 1.00 0.00 N ATOM 550 CA CYS A 41 -14.223 1.568 2.652 1.00 0.00 C ATOM 551 C CYS A 41 -13.737 3.014 2.617 1.00 0.00 C ATOM 552 O CYS A 41 -14.510 3.946 2.833 1.00 0.00 O ATOM 553 CB CYS A 41 -13.975 0.969 4.038 1.00 0.00 C ATOM 554 SG CYS A 41 -12.310 1.295 4.701 1.00 0.00 S ATOM 0 H CYS A 41 -12.638 0.420 1.900 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.293 1.557 2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.715 1.367 4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -14.131 -0.109 3.990 1.00 0.00 H new ATOM 559 N GLY A 42 -12.448 3.193 2.342 1.00 0.00 N ATOM 560 CA GLY A 42 -11.880 4.528 2.283 1.00 0.00 C ATOM 561 C GLY A 42 -10.899 4.791 3.408 1.00 0.00 C ATOM 562 O GLY A 42 -10.756 5.926 3.864 1.00 0.00 O ATOM 0 H GLY A 42 -11.787 2.438 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.375 4.663 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.683 5.263 2.326 1.00 0.00 H new ATOM 566 N PHE A 43 -10.223 3.740 3.859 1.00 0.00 N ATOM 567 CA PHE A 43 -9.253 3.862 4.941 1.00 0.00 C ATOM 568 C PHE A 43 -7.958 4.496 4.440 1.00 0.00 C ATOM 569 O PHE A 43 -7.242 3.934 3.611 1.00 0.00 O ATOM 570 CB PHE A 43 -8.960 2.489 5.549 1.00 0.00 C ATOM 571 CG PHE A 43 -8.056 2.544 6.747 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.326 3.409 7.796 1.00 0.00 C ATOM 573 CD2 PHE A 43 -6.936 1.732 6.825 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.495 3.462 8.899 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.102 1.781 7.926 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.382 2.647 8.965 1.00 0.00 C ATOM 0 H PHE A 43 -10.329 2.794 3.492 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.680 4.507 5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.901 2.019 5.835 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.505 1.854 4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.195 4.048 7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.712 1.053 6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.716 4.141 9.709 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.232 1.143 7.974 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.732 2.687 9.827 1.00 0.00 H new ATOM 586 N PRO A 44 -7.649 5.695 4.955 1.00 0.00 N ATOM 587 CA PRO A 44 -6.441 6.432 4.576 1.00 0.00 C ATOM 588 C PRO A 44 -5.170 5.772 5.100 1.00 0.00 C ATOM 589 O PRO A 44 -4.886 5.814 6.297 1.00 0.00 O ATOM 590 CB PRO A 44 -6.640 7.802 5.230 1.00 0.00 C ATOM 591 CG PRO A 44 -7.550 7.543 6.380 1.00 0.00 C ATOM 592 CD PRO A 44 -8.457 6.424 5.948 1.00 0.00 C ATOM 0 HA PRO A 44 -6.314 6.475 3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.691 8.224 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.078 8.515 4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.985 7.266 7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.124 8.435 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.735 5.786 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.383 6.802 5.514 1.00 0.00 H new ATOM 600 N ALA A 45 -4.409 5.162 4.197 1.00 0.00 N ATOM 601 CA ALA A 45 -3.168 4.495 4.568 1.00 0.00 C ATOM 602 C ALA A 45 -2.052 4.824 3.583 1.00 0.00 C ATOM 603 O ALA A 45 -2.119 4.459 2.408 1.00 0.00 O ATOM 604 CB ALA A 45 -3.380 2.991 4.646 1.00 0.00 C ATOM 0 H ALA A 45 -4.631 5.116 3.203 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.868 4.860 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.444 2.506 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.141 2.769 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.707 2.619 3.675 1.00 0.00 H new ATOM 610 N CYS A 46 -1.025 5.515 4.067 1.00 0.00 N ATOM 611 CA CYS A 46 0.106 5.894 3.229 1.00 0.00 C ATOM 612 C CYS A 46 0.744 4.665 2.589 1.00 0.00 C ATOM 613 O CYS A 46 0.264 3.544 2.758 1.00 0.00 O ATOM 614 CB CYS A 46 1.147 6.652 4.055 1.00 0.00 C ATOM 615 SG CYS A 46 1.781 5.722 5.487 1.00 0.00 S ATOM 0 H CYS A 46 -0.953 5.824 5.036 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.262 6.545 2.436 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.984 6.918 3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.707 7.585 4.407 1.00 0.00 H new ATOM 620 N ARG A 47 1.830 4.884 1.854 1.00 0.00 N ATOM 621 CA ARG A 47 2.534 3.795 1.188 1.00 0.00 C ATOM 622 C ARG A 47 3.191 2.868 2.207 1.00 0.00 C ATOM 623 O ARG A 47 2.994 1.653 2.194 1.00 0.00 O ATOM 624 CB ARG A 47 3.592 4.352 0.233 1.00 0.00 C ATOM 625 CG ARG A 47 3.716 3.567 -1.063 1.00 0.00 C ATOM 626 CD ARG A 47 4.160 4.458 -2.213 1.00 0.00 C ATOM 627 NE ARG A 47 5.163 5.433 -1.794 1.00 0.00 N ATOM 628 CZ ARG A 47 6.464 5.172 -1.738 1.00 0.00 C ATOM 629 NH1 ARG A 47 6.918 3.972 -2.072 1.00 0.00 N ATOM 630 NH2 ARG A 47 7.315 6.112 -1.347 1.00 0.00 N ATOM 0 H ARG A 47 2.241 5.806 1.705 1.00 0.00 H new ATOM 0 HA ARG A 47 1.805 3.220 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.348 5.388 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.558 4.358 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.433 2.756 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.757 3.109 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.567 3.841 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.295 4.980 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 47 4.847 6.366 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.268 3.246 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.918 3.775 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.970 7.037 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.314 5.910 -1.305 1.00 0.00 H new ATOM 644 N PRO A 48 3.990 3.454 3.110 1.00 0.00 N ATOM 645 CA PRO A 48 4.692 2.699 4.153 1.00 0.00 C ATOM 646 C PRO A 48 3.741 2.146 5.208 1.00 0.00 C ATOM 647 O PRO A 48 4.167 1.727 6.285 1.00 0.00 O ATOM 648 CB PRO A 48 5.631 3.738 4.771 1.00 0.00 C ATOM 649 CG PRO A 48 4.975 5.049 4.504 1.00 0.00 C ATOM 650 CD PRO A 48 4.270 4.898 3.185 1.00 0.00 C ATOM 0 HA PRO A 48 5.206 1.827 3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.758 3.570 5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.623 3.693 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.270 5.301 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.711 5.852 4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.354 5.487 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.894 5.230 2.355 1.00 0.00 H new ATOM 658 N CYS A 49 2.450 2.147 4.893 1.00 0.00 N ATOM 659 CA CYS A 49 1.437 1.646 5.814 1.00 0.00 C ATOM 660 C CYS A 49 0.634 0.516 5.176 1.00 0.00 C ATOM 661 O CYS A 49 0.299 -0.470 5.833 1.00 0.00 O ATOM 662 CB CYS A 49 0.498 2.777 6.239 1.00 0.00 C ATOM 663 SG CYS A 49 1.005 3.629 7.767 1.00 0.00 S ATOM 0 H CYS A 49 2.081 2.490 4.006 1.00 0.00 H new ATOM 0 HA CYS A 49 1.945 1.255 6.696 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.437 3.507 5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.504 2.370 6.378 1.00 0.00 H new ATOM 668 N TYR A 50 0.329 0.666 3.892 1.00 0.00 N ATOM 669 CA TYR A 50 -0.436 -0.339 3.165 1.00 0.00 C ATOM 670 C TYR A 50 0.465 -1.478 2.698 1.00 0.00 C ATOM 671 O TYR A 50 0.167 -2.651 2.920 1.00 0.00 O ATOM 672 CB TYR A 50 -1.140 0.294 1.964 1.00 0.00 C ATOM 673 CG TYR A 50 -1.764 -0.714 1.026 1.00 0.00 C ATOM 674 CD1 TYR A 50 -0.975 -1.583 0.283 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.144 -0.799 0.884 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.541 -2.505 -0.576 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.719 -1.719 0.029 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.913 -2.570 -0.699 1.00 0.00 C ATOM 679 OH TYR A 50 -3.481 -3.488 -1.552 1.00 0.00 O ATOM 0 H TYR A 50 0.600 1.475 3.333 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.186 -0.747 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.915 0.971 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.422 0.897 1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.100 -1.537 0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.778 -0.134 1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.912 -3.171 -1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.793 -1.772 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.803 -3.815 -2.179 1.00 0.00 H new ATOM 689 N GLU A 51 1.570 -1.121 2.050 1.00 0.00 N ATOM 690 CA GLU A 51 2.516 -2.113 1.551 1.00 0.00 C ATOM 691 C GLU A 51 2.896 -3.103 2.648 1.00 0.00 C ATOM 692 O GLU A 51 2.631 -4.300 2.538 1.00 0.00 O ATOM 693 CB GLU A 51 3.772 -1.425 1.012 1.00 0.00 C ATOM 694 CG GLU A 51 3.607 -0.871 -0.393 1.00 0.00 C ATOM 695 CD GLU A 51 2.448 0.101 -0.504 1.00 0.00 C ATOM 696 OE1 GLU A 51 2.625 1.281 -0.137 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.364 -0.320 -0.959 1.00 0.00 O ATOM 0 H GLU A 51 1.832 -0.154 1.859 1.00 0.00 H new ATOM 0 HA GLU A 51 2.035 -2.662 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.048 -0.612 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.597 -2.137 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.527 -0.369 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.453 -1.696 -1.089 1.00 0.00 H new ATOM 704 N TYR A 52 3.518 -2.594 3.706 1.00 0.00 N ATOM 705 CA TYR A 52 3.937 -3.433 4.823 1.00 0.00 C ATOM 706 C TYR A 52 2.810 -4.365 5.257 1.00 0.00 C ATOM 707 O TYR A 52 3.049 -5.515 5.626 1.00 0.00 O ATOM 708 CB TYR A 52 4.379 -2.565 6.002 1.00 0.00 C ATOM 709 CG TYR A 52 4.209 -3.237 7.346 1.00 0.00 C ATOM 710 CD1 TYR A 52 5.080 -4.238 7.759 1.00 0.00 C ATOM 711 CD2 TYR A 52 3.178 -2.871 8.202 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.927 -4.855 8.986 1.00 0.00 C ATOM 713 CE2 TYR A 52 3.019 -3.481 9.431 1.00 0.00 C ATOM 714 CZ TYR A 52 3.896 -4.473 9.818 1.00 0.00 C ATOM 715 OH TYR A 52 3.742 -5.085 11.041 1.00 0.00 O ATOM 0 H TYR A 52 3.743 -1.605 3.814 1.00 0.00 H new ATOM 0 HA TYR A 52 4.779 -4.041 4.492 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.427 -2.294 5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.807 -1.637 5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.890 -4.539 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.489 -2.096 7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.611 -5.632 9.292 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.213 -3.183 10.085 1.00 0.00 H new ATOM 0 HH TYR A 52 2.969 -4.700 11.505 1.00 0.00 H new ATOM 725 N GLU A 53 1.582 -3.860 5.209 1.00 0.00 N ATOM 726 CA GLU A 53 0.417 -4.647 5.598 1.00 0.00 C ATOM 727 C GLU A 53 0.386 -5.978 4.852 1.00 0.00 C ATOM 728 O GLU A 53 0.193 -7.034 5.453 1.00 0.00 O ATOM 729 CB GLU A 53 -0.869 -3.865 5.323 1.00 0.00 C ATOM 730 CG GLU A 53 -2.036 -4.286 6.200 1.00 0.00 C ATOM 731 CD GLU A 53 -1.943 -3.723 7.605 1.00 0.00 C ATOM 732 OE1 GLU A 53 -0.845 -3.272 7.991 1.00 0.00 O ATOM 733 OE2 GLU A 53 -2.968 -3.734 8.318 1.00 0.00 O ATOM 0 H GLU A 53 1.367 -2.910 4.905 1.00 0.00 H new ATOM 0 HA GLU A 53 0.488 -4.851 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.677 -2.803 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.146 -3.994 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.968 -3.956 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.074 -5.374 6.250 1.00 0.00 H new ATOM 740 N ARG A 54 0.576 -5.917 3.538 1.00 0.00 N ATOM 741 CA ARG A 54 0.568 -7.116 2.708 1.00 0.00 C ATOM 742 C ARG A 54 1.883 -7.878 2.842 1.00 0.00 C ATOM 743 O ARG A 54 1.972 -9.051 2.479 1.00 0.00 O ATOM 744 CB ARG A 54 0.327 -6.747 1.243 1.00 0.00 C ATOM 745 CG ARG A 54 -1.123 -6.883 0.812 1.00 0.00 C ATOM 746 CD ARG A 54 -1.375 -6.195 -0.521 1.00 0.00 C ATOM 747 NE ARG A 54 -0.524 -6.728 -1.581 1.00 0.00 N ATOM 748 CZ ARG A 54 -0.825 -7.810 -2.291 1.00 0.00 C ATOM 749 NH1 ARG A 54 -1.950 -8.469 -2.056 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.001 -8.233 -3.240 1.00 0.00 N ATOM 0 H ARG A 54 0.737 -5.050 3.025 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.242 -7.760 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.652 -5.720 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.946 -7.383 0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.383 -7.939 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.772 -6.451 1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.421 -6.318 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.196 -5.125 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 54 0.349 -6.243 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.588 -8.146 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.178 -9.299 -2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.867 -7.727 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.231 -9.064 -3.785 1.00 0.00 H new ATOM 764 N ARG A 55 2.902 -7.204 3.366 1.00 0.00 N ATOM 765 CA ARG A 55 4.212 -7.817 3.546 1.00 0.00 C ATOM 766 C ARG A 55 4.233 -8.700 4.790 1.00 0.00 C ATOM 767 O ARG A 55 4.183 -9.926 4.693 1.00 0.00 O ATOM 768 CB ARG A 55 5.293 -6.740 3.654 1.00 0.00 C ATOM 769 CG ARG A 55 6.652 -7.279 4.068 1.00 0.00 C ATOM 770 CD ARG A 55 7.392 -6.298 4.963 1.00 0.00 C ATOM 771 NE ARG A 55 8.338 -5.478 4.212 1.00 0.00 N ATOM 772 CZ ARG A 55 8.841 -4.335 4.664 1.00 0.00 C ATOM 773 NH1 ARG A 55 8.491 -3.880 5.859 1.00 0.00 N ATOM 774 NH2 ARG A 55 9.698 -3.645 3.921 1.00 0.00 N ATOM 0 H ARG A 55 2.845 -6.233 3.673 1.00 0.00 H new ATOM 0 HA ARG A 55 4.416 -8.440 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.389 -6.236 2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.974 -5.989 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.525 -8.226 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.249 -7.484 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.672 -5.652 5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.925 -6.847 5.740 1.00 0.00 H new ATOM 0 HE ARG A 55 8.629 -5.801 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.834 -4.408 6.433 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.879 -3.002 6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.971 -3.993 3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.083 -2.767 4.269 1.00 0.00 H new ATOM 788 N GLU A 56 4.306 -8.068 5.957 1.00 0.00 N ATOM 789 CA GLU A 56 4.335 -8.797 7.220 1.00 0.00 C ATOM 790 C GLU A 56 3.030 -8.606 7.988 1.00 0.00 C ATOM 791 O GLU A 56 2.743 -9.336 8.936 1.00 0.00 O ATOM 792 CB GLU A 56 5.516 -8.333 8.075 1.00 0.00 C ATOM 793 CG GLU A 56 6.846 -8.934 7.653 1.00 0.00 C ATOM 794 CD GLU A 56 7.885 -8.882 8.756 1.00 0.00 C ATOM 795 OE1 GLU A 56 8.512 -7.816 8.930 1.00 0.00 O ATOM 796 OE2 GLU A 56 8.072 -9.907 9.444 1.00 0.00 O ATOM 0 H GLU A 56 4.346 -7.053 6.054 1.00 0.00 H new ATOM 0 HA GLU A 56 4.453 -9.857 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.586 -7.246 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.324 -8.592 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.693 -9.970 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.221 -8.400 6.780 1.00 0.00 H new ATOM 803 N GLY A 57 2.243 -7.619 7.570 1.00 0.00 N ATOM 804 CA GLY A 57 0.979 -7.349 8.230 1.00 0.00 C ATOM 805 C GLY A 57 0.038 -8.536 8.187 1.00 0.00 C ATOM 806 O GLY A 57 0.477 -9.686 8.151 1.00 0.00 O ATOM 0 H GLY A 57 2.458 -7.002 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.166 -7.075 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.500 -6.492 7.755 1.00 0.00 H new ATOM 810 N THR A 58 -1.263 -8.259 8.192 1.00 0.00 N ATOM 811 CA THR A 58 -2.269 -9.313 8.156 1.00 0.00 C ATOM 812 C THR A 58 -2.931 -9.395 6.786 1.00 0.00 C ATOM 813 O THR A 58 -3.703 -10.314 6.514 1.00 0.00 O ATOM 814 CB THR A 58 -3.355 -9.088 9.226 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.049 -7.862 8.970 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.744 -9.050 10.618 1.00 0.00 C ATOM 0 H THR A 58 -1.644 -7.313 8.221 1.00 0.00 H new ATOM 0 HA THR A 58 -1.753 -10.250 8.363 1.00 0.00 H new ATOM 0 HB THR A 58 -4.058 -9.919 9.178 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.738 -7.727 9.653 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.530 -8.890 11.356 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.242 -9.996 10.821 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.021 -8.236 10.676 1.00 0.00 H new ATOM 824 N GLN A 59 -2.622 -8.430 5.926 1.00 0.00 N ATOM 825 CA GLN A 59 -3.188 -8.394 4.582 1.00 0.00 C ATOM 826 C GLN A 59 -4.687 -8.118 4.630 1.00 0.00 C ATOM 827 O GLN A 59 -5.452 -8.654 3.830 1.00 0.00 O ATOM 828 CB GLN A 59 -2.923 -9.717 3.860 1.00 0.00 C ATOM 829 CG GLN A 59 -1.481 -10.185 3.958 1.00 0.00 C ATOM 830 CD GLN A 59 -1.325 -11.662 3.652 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.310 -12.394 3.548 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.083 -12.109 3.505 1.00 0.00 N ATOM 0 H GLN A 59 -1.983 -7.663 6.135 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.706 -7.585 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.575 -10.485 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.190 -9.608 2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.868 -9.608 3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.105 -9.984 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.704 -11.468 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.083 -13.094 3.298 1.00 0.00 H new ATOM 841 N ASN A 60 -5.099 -7.279 5.575 1.00 0.00 N ATOM 842 CA ASN A 60 -6.508 -6.933 5.727 1.00 0.00 C ATOM 843 C ASN A 60 -6.663 -5.527 6.300 1.00 0.00 C ATOM 844 O ASN A 60 -5.954 -5.142 7.230 1.00 0.00 O ATOM 845 CB ASN A 60 -7.208 -7.946 6.635 1.00 0.00 C ATOM 846 CG ASN A 60 -6.734 -9.365 6.391 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.032 -9.961 5.356 1.00 0.00 O ATOM 848 ND2 ASN A 60 -5.993 -9.914 7.346 1.00 0.00 N ATOM 0 H ASN A 60 -4.478 -6.827 6.246 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.972 -6.958 4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.029 -7.680 7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.284 -7.892 6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.646 -10.867 7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.770 -9.383 8.188 1.00 0.00 H new ATOM 855 N CYS A 61 -7.596 -4.765 5.739 1.00 0.00 N ATOM 856 CA CYS A 61 -7.846 -3.403 6.192 1.00 0.00 C ATOM 857 C CYS A 61 -8.312 -3.390 7.645 1.00 0.00 C ATOM 858 O CYS A 61 -9.309 -4.013 8.009 1.00 0.00 O ATOM 859 CB CYS A 61 -8.895 -2.731 5.303 1.00 0.00 C ATOM 860 SG CYS A 61 -9.150 -0.963 5.660 1.00 0.00 S ATOM 0 H CYS A 61 -8.192 -5.069 4.969 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.911 -2.847 6.123 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.596 -2.841 4.260 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.844 -3.255 5.420 1.00 0.00 H new ATOM 865 N PRO A 62 -7.574 -2.662 8.497 1.00 0.00 N ATOM 866 CA PRO A 62 -7.892 -2.550 9.923 1.00 0.00 C ATOM 867 C PRO A 62 -9.158 -1.737 10.173 1.00 0.00 C ATOM 868 O PRO A 62 -9.531 -1.489 11.319 1.00 0.00 O ATOM 869 CB PRO A 62 -6.672 -1.830 10.503 1.00 0.00 C ATOM 870 CG PRO A 62 -6.104 -1.065 9.358 1.00 0.00 C ATOM 871 CD PRO A 62 -6.372 -1.893 8.132 1.00 0.00 C ATOM 0 HA PRO A 62 -8.085 -3.523 10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.955 -1.167 11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.947 -2.539 10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.570 -0.083 9.275 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.035 -0.900 9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.545 -1.269 7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.532 -2.547 7.897 1.00 0.00 H new ATOM 879 N GLN A 63 -9.814 -1.326 9.092 1.00 0.00 N ATOM 880 CA GLN A 63 -11.038 -0.540 9.195 1.00 0.00 C ATOM 881 C GLN A 63 -12.239 -1.337 8.697 1.00 0.00 C ATOM 882 O GLN A 63 -13.292 -1.358 9.336 1.00 0.00 O ATOM 883 CB GLN A 63 -10.905 0.758 8.397 1.00 0.00 C ATOM 884 CG GLN A 63 -12.204 1.539 8.285 1.00 0.00 C ATOM 885 CD GLN A 63 -11.979 3.034 8.179 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.260 3.624 8.986 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.594 3.657 7.181 1.00 0.00 N ATOM 0 H GLN A 63 -9.519 -1.524 8.136 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.197 -0.297 10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.151 1.389 8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.544 0.524 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.756 1.196 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.825 1.330 9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.181 3.129 6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.480 4.663 7.060 1.00 0.00 H new ATOM 896 N CYS A 64 -12.075 -1.992 7.552 1.00 0.00 N ATOM 897 CA CYS A 64 -13.146 -2.789 6.967 1.00 0.00 C ATOM 898 C CYS A 64 -12.733 -4.254 6.854 1.00 0.00 C ATOM 899 O CYS A 64 -13.576 -5.139 6.701 1.00 0.00 O ATOM 900 CB CYS A 64 -13.519 -2.246 5.586 1.00 0.00 C ATOM 901 SG CYS A 64 -12.193 -2.391 4.346 1.00 0.00 S ATOM 0 H CYS A 64 -11.210 -1.986 7.011 1.00 0.00 H new ATOM 0 HA CYS A 64 -14.014 -2.723 7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.399 -2.777 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.797 -1.197 5.683 1.00 0.00 H new ATOM 906 N LYS A 65 -11.430 -4.504 6.931 1.00 0.00 N ATOM 907 CA LYS A 65 -10.904 -5.860 6.840 1.00 0.00 C ATOM 908 C LYS A 65 -11.380 -6.544 5.562 1.00 0.00 C ATOM 909 O LYS A 65 -11.893 -7.663 5.598 1.00 0.00 O ATOM 910 CB LYS A 65 -11.333 -6.679 8.059 1.00 0.00 C ATOM 911 CG LYS A 65 -11.085 -5.975 9.382 1.00 0.00 C ATOM 912 CD LYS A 65 -9.698 -6.278 9.924 1.00 0.00 C ATOM 913 CE LYS A 65 -9.604 -5.983 11.413 1.00 0.00 C ATOM 914 NZ LYS A 65 -10.233 -7.056 12.232 1.00 0.00 N ATOM 0 H LYS A 65 -10.719 -3.784 7.056 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.816 -5.799 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.394 -6.912 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.797 -7.628 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.198 -4.899 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.836 -6.287 10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.457 -7.326 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.959 -5.684 9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.557 -5.876 11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.091 -5.031 11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.089 -6.852 13.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.252 -7.095 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.798 -7.971 11.998 1.00 0.00 H new ATOM 928 N THR A 66 -11.207 -5.864 4.432 1.00 0.00 N ATOM 929 CA THR A 66 -11.618 -6.406 3.144 1.00 0.00 C ATOM 930 C THR A 66 -10.410 -6.801 2.302 1.00 0.00 C ATOM 931 O THR A 66 -9.422 -6.071 2.237 1.00 0.00 O ATOM 932 CB THR A 66 -12.470 -5.394 2.355 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.646 -5.058 3.099 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.866 -5.959 0.999 1.00 0.00 C ATOM 0 H THR A 66 -10.785 -4.937 4.384 1.00 0.00 H new ATOM 0 HA THR A 66 -12.218 -7.292 3.351 1.00 0.00 H new ATOM 0 HB THR A 66 -11.872 -4.497 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.492 -4.228 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.467 -5.226 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.969 -6.186 0.423 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.446 -6.871 1.140 1.00 0.00 H new ATOM 942 N ARG A 67 -10.497 -7.961 1.658 1.00 0.00 N ATOM 943 CA ARG A 67 -9.410 -8.453 0.821 1.00 0.00 C ATOM 944 C ARG A 67 -8.697 -7.299 0.122 1.00 0.00 C ATOM 945 O ARG A 67 -9.337 -6.418 -0.453 1.00 0.00 O ATOM 946 CB ARG A 67 -9.945 -9.441 -0.218 1.00 0.00 C ATOM 947 CG ARG A 67 -11.086 -8.886 -1.055 1.00 0.00 C ATOM 948 CD ARG A 67 -11.314 -9.717 -2.307 1.00 0.00 C ATOM 949 NE ARG A 67 -12.093 -10.921 -2.031 1.00 0.00 N ATOM 950 CZ ARG A 67 -11.556 -12.068 -1.632 1.00 0.00 C ATOM 951 NH1 ARG A 67 -10.245 -12.167 -1.463 1.00 0.00 N ATOM 952 NH2 ARG A 67 -12.331 -13.120 -1.400 1.00 0.00 N ATOM 0 H ARG A 67 -11.309 -8.577 1.700 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.693 -8.965 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.130 -9.736 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.285 -10.343 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.999 -8.865 -0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.865 -7.856 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.831 -9.114 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.352 -9.998 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.105 -10.879 -2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.646 -11.361 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.836 -13.049 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.340 -13.048 -1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.917 -14.001 -1.094 1.00 0.00 H new ATOM 966 N TYR A 68 -7.370 -7.312 0.175 1.00 0.00 N ATOM 967 CA TYR A 68 -6.570 -6.265 -0.450 1.00 0.00 C ATOM 968 C TYR A 68 -6.513 -6.454 -1.963 1.00 0.00 C ATOM 969 O TYR A 68 -7.175 -7.331 -2.517 1.00 0.00 O ATOM 970 CB TYR A 68 -5.155 -6.261 0.129 1.00 0.00 C ATOM 971 CG TYR A 68 -4.952 -5.242 1.227 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.923 -5.039 2.200 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.791 -4.482 1.291 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.743 -4.108 3.205 1.00 0.00 C ATOM 975 CE2 TYR A 68 -3.602 -3.550 2.294 1.00 0.00 C ATOM 976 CZ TYR A 68 -4.581 -3.367 3.248 1.00 0.00 C ATOM 977 OH TYR A 68 -4.397 -2.439 4.247 1.00 0.00 O ATOM 0 H TYR A 68 -6.825 -8.036 0.644 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.043 -5.306 -0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.929 -7.253 0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.444 -6.064 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.834 -5.619 2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.023 -4.622 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.508 -3.962 3.953 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.693 -2.968 2.330 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.526 -2.004 4.133 1.00 0.00 H new ATOM 987 N LYS A 69 -5.714 -5.625 -2.626 1.00 0.00 N ATOM 988 CA LYS A 69 -5.566 -5.699 -4.075 1.00 0.00 C ATOM 989 C LYS A 69 -4.162 -5.281 -4.500 1.00 0.00 C ATOM 990 O LYS A 69 -3.643 -4.262 -4.044 1.00 0.00 O ATOM 991 CB LYS A 69 -6.604 -4.809 -4.761 1.00 0.00 C ATOM 992 CG LYS A 69 -6.166 -3.361 -4.902 1.00 0.00 C ATOM 993 CD LYS A 69 -6.179 -2.641 -3.564 1.00 0.00 C ATOM 994 CE LYS A 69 -7.597 -2.311 -3.123 1.00 0.00 C ATOM 995 NZ LYS A 69 -7.729 -2.306 -1.640 1.00 0.00 N ATOM 0 H LYS A 69 -5.158 -4.893 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.726 -6.733 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.819 -5.213 -5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.533 -4.845 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.163 -3.323 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.827 -2.846 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.698 -3.264 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.597 -1.723 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.882 -1.335 -3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.288 -3.040 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.701 -2.044 -1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.514 -3.254 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.064 -1.617 -1.235 1.00 0.00 H new ATOM 1009 N ARG A 70 -3.554 -6.073 -5.377 1.00 0.00 N ATOM 1010 CA ARG A 70 -2.210 -5.785 -5.863 1.00 0.00 C ATOM 1011 C ARG A 70 -2.085 -4.322 -6.279 1.00 0.00 C ATOM 1012 O ARG A 70 -2.830 -3.843 -7.136 1.00 0.00 O ATOM 1013 CB ARG A 70 -1.866 -6.693 -7.045 1.00 0.00 C ATOM 1014 CG ARG A 70 -0.373 -6.884 -7.253 1.00 0.00 C ATOM 1015 CD ARG A 70 -0.077 -8.159 -8.028 1.00 0.00 C ATOM 1016 NE ARG A 70 -0.157 -7.953 -9.471 1.00 0.00 N ATOM 1017 CZ ARG A 70 0.519 -8.678 -10.356 1.00 0.00 C ATOM 1018 NH1 ARG A 70 1.319 -9.652 -9.946 1.00 0.00 N ATOM 1019 NH2 ARG A 70 0.393 -8.430 -11.653 1.00 0.00 N ATOM 0 H ARG A 70 -3.971 -6.919 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.508 -5.976 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.330 -7.667 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.300 -6.273 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.033 -6.027 -7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.129 -6.920 -6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.919 -8.519 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.783 -8.935 -7.733 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.765 -7.212 -9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.417 -9.846 -8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.837 -10.207 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.223 -7.682 -11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.912 -8.987 -12.332 1.00 0.00 H new ATOM 1033 N LEU A 71 -1.139 -3.617 -5.668 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.917 -2.208 -5.974 1.00 0.00 C ATOM 1035 C LEU A 71 0.396 -2.016 -6.728 1.00 0.00 C ATOM 1036 O LEU A 71 1.073 -2.984 -7.071 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.905 -1.382 -4.687 1.00 0.00 C ATOM 1038 CG LEU A 71 -2.226 -1.315 -3.920 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -2.094 -0.406 -2.708 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.347 -0.834 -4.830 1.00 0.00 C ATOM 0 H LEU A 71 -0.514 -3.998 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.734 -1.866 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.143 -1.791 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.600 -0.365 -4.934 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.473 -2.318 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.044 -0.371 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.320 -0.793 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.823 0.598 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.280 -0.792 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.107 0.159 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.458 -1.524 -5.666 1.00 0.00 H new ATOM 1052 N ARG A 72 0.748 -0.759 -6.979 1.00 0.00 N ATOM 1053 CA ARG A 72 1.980 -0.440 -7.691 1.00 0.00 C ATOM 1054 C ARG A 72 3.196 -0.646 -6.793 1.00 0.00 C ATOM 1055 O ARG A 72 4.201 -1.217 -7.213 1.00 0.00 O ATOM 1056 CB ARG A 72 1.943 1.005 -8.194 1.00 0.00 C ATOM 1057 CG ARG A 72 1.213 1.170 -9.517 1.00 0.00 C ATOM 1058 CD ARG A 72 2.161 1.025 -10.698 1.00 0.00 C ATOM 1059 NE ARG A 72 1.446 0.751 -11.942 1.00 0.00 N ATOM 1060 CZ ARG A 72 1.951 0.991 -13.147 1.00 0.00 C ATOM 1061 NH1 ARG A 72 3.165 1.508 -13.270 1.00 0.00 N ATOM 1062 NH2 ARG A 72 1.239 0.715 -14.233 1.00 0.00 N ATOM 0 H ARG A 72 0.198 0.054 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 72 2.062 -1.113 -8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.461 1.630 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.965 1.369 -8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.420 0.426 -9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.735 2.149 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.745 1.939 -10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.867 0.218 -10.500 1.00 0.00 H new ATOM 0 HE ARG A 72 0.508 0.354 -11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.715 1.723 -12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.550 1.691 -14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.304 0.318 -14.142 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.627 0.900 -15.158 1.00 0.00 H new ATOM 1076 N GLY A 73 3.097 -0.176 -5.553 1.00 0.00 N ATOM 1077 CA GLY A 73 4.195 -0.317 -4.616 1.00 0.00 C ATOM 1078 C GLY A 73 4.211 -1.675 -3.942 1.00 0.00 C ATOM 1079 O GLY A 73 5.240 -2.350 -3.914 1.00 0.00 O ATOM 0 H GLY A 73 2.275 0.300 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.138 -0.164 -5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.123 0.461 -3.856 1.00 0.00 H new ATOM 1083 N SER A 74 3.067 -2.076 -3.396 1.00 0.00 N ATOM 1084 CA SER A 74 2.955 -3.360 -2.713 1.00 0.00 C ATOM 1085 C SER A 74 3.001 -4.512 -3.713 1.00 0.00 C ATOM 1086 O SER A 74 2.090 -4.707 -4.517 1.00 0.00 O ATOM 1087 CB SER A 74 1.656 -3.421 -1.907 1.00 0.00 C ATOM 1088 OG SER A 74 0.562 -3.787 -2.730 1.00 0.00 O ATOM 0 H SER A 74 2.205 -1.531 -3.413 1.00 0.00 H new ATOM 0 HA SER A 74 3.801 -3.458 -2.033 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.761 -4.141 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.462 -2.451 -1.449 1.00 0.00 H new ATOM 0 HG SER A 74 0.856 -3.832 -3.664 1.00 0.00 H new ATOM 1094 N PRO A 75 4.089 -5.295 -3.662 1.00 0.00 N ATOM 1095 CA PRO A 75 4.282 -6.441 -4.555 1.00 0.00 C ATOM 1096 C PRO A 75 3.324 -7.586 -4.243 1.00 0.00 C ATOM 1097 O PRO A 75 2.706 -7.618 -3.179 1.00 0.00 O ATOM 1098 CB PRO A 75 5.728 -6.865 -4.281 1.00 0.00 C ATOM 1099 CG PRO A 75 6.007 -6.388 -2.898 1.00 0.00 C ATOM 1100 CD PRO A 75 5.215 -5.121 -2.729 1.00 0.00 C ATOM 0 HA PRO A 75 4.089 -6.183 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.845 -7.946 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.415 -6.418 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.711 -7.134 -2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.072 -6.204 -2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.871 -4.996 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.808 -4.240 -2.975 1.00 0.00 H new ATOM 1108 N ARG A 76 3.206 -8.523 -5.178 1.00 0.00 N ATOM 1109 CA ARG A 76 2.322 -9.670 -5.003 1.00 0.00 C ATOM 1110 C ARG A 76 2.699 -10.461 -3.754 1.00 0.00 C ATOM 1111 O ARG A 76 3.879 -10.642 -3.454 1.00 0.00 O ATOM 1112 CB ARG A 76 2.380 -10.578 -6.232 1.00 0.00 C ATOM 1113 CG ARG A 76 1.640 -11.894 -6.053 1.00 0.00 C ATOM 1114 CD ARG A 76 2.277 -13.007 -6.870 1.00 0.00 C ATOM 1115 NE ARG A 76 3.279 -13.744 -6.104 1.00 0.00 N ATOM 1116 CZ ARG A 76 2.987 -14.760 -5.301 1.00 0.00 C ATOM 1117 NH1 ARG A 76 1.731 -15.159 -5.159 1.00 0.00 N ATOM 1118 NH2 ARG A 76 3.954 -15.381 -4.637 1.00 0.00 N ATOM 0 H ARG A 76 3.711 -8.511 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 76 1.305 -9.298 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.958 -10.047 -7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.423 -10.787 -6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.638 -12.171 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.599 -11.771 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.503 -13.695 -7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.741 -12.583 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 76 4.256 -13.463 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.985 -14.685 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.511 -15.940 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.922 -15.078 -4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.729 -16.162 -4.020 1.00 0.00 H new ATOM 1132 N VAL A 77 1.688 -10.930 -3.029 1.00 0.00 N ATOM 1133 CA VAL A 77 1.913 -11.703 -1.813 1.00 0.00 C ATOM 1134 C VAL A 77 0.905 -12.840 -1.690 1.00 0.00 C ATOM 1135 O VAL A 77 0.101 -13.069 -2.592 1.00 0.00 O ATOM 1136 CB VAL A 77 1.824 -10.814 -0.559 1.00 0.00 C ATOM 1137 CG1 VAL A 77 2.869 -9.709 -0.611 1.00 0.00 C ATOM 1138 CG2 VAL A 77 0.426 -10.231 -0.418 1.00 0.00 C ATOM 0 H VAL A 77 0.705 -10.788 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 77 2.918 -12.119 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 77 2.026 -11.430 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.790 -9.091 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.864 -10.151 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.702 -9.092 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.381 -9.605 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.193 -9.629 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.299 -11.040 -0.330 1.00 0.00 H new ATOM 1148 N GLU A 78 0.954 -13.548 -0.566 1.00 0.00 N ATOM 1149 CA GLU A 78 0.044 -14.662 -0.325 1.00 0.00 C ATOM 1150 C GLU A 78 -1.407 -14.227 -0.506 1.00 0.00 C ATOM 1151 O GLU A 78 -1.947 -13.476 0.305 1.00 0.00 O ATOM 1152 CB GLU A 78 0.249 -15.221 1.084 1.00 0.00 C ATOM 1153 CG GLU A 78 1.615 -15.852 1.296 1.00 0.00 C ATOM 1154 CD GLU A 78 2.675 -14.837 1.676 1.00 0.00 C ATOM 1155 OE1 GLU A 78 2.330 -13.846 2.354 1.00 0.00 O ATOM 1156 OE2 GLU A 78 3.848 -15.032 1.295 1.00 0.00 O ATOM 0 H GLU A 78 1.614 -13.370 0.192 1.00 0.00 H new ATOM 0 HA GLU A 78 0.265 -15.443 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.113 -14.417 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.521 -15.966 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.544 -16.608 2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.919 -16.365 0.384 1.00 0.00 H new ATOM 1163 N GLY A 79 -2.033 -14.706 -1.577 1.00 0.00 N ATOM 1164 CA GLY A 79 -3.416 -14.356 -1.846 1.00 0.00 C ATOM 1165 C GLY A 79 -3.732 -14.340 -3.328 1.00 0.00 C ATOM 1166 O GLY A 79 -4.782 -14.825 -3.751 1.00 0.00 O ATOM 0 H GLY A 79 -1.607 -15.330 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.072 -15.068 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.628 -13.375 -1.422 1.00 0.00 H new ATOM 1170 N ASP A 80 -2.823 -13.781 -4.120 1.00 0.00 N ATOM 1171 CA ASP A 80 -3.010 -13.704 -5.564 1.00 0.00 C ATOM 1172 C ASP A 80 -3.340 -15.076 -6.143 1.00 0.00 C ATOM 1173 O ASP A 80 -2.595 -16.036 -5.952 1.00 0.00 O ATOM 1174 CB ASP A 80 -1.755 -13.142 -6.233 1.00 0.00 C ATOM 1175 CG ASP A 80 -2.001 -12.730 -7.671 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -2.688 -11.710 -7.887 1.00 0.00 O ATOM 1177 OD2 ASP A 80 -1.505 -13.427 -8.581 1.00 0.00 O ATOM 0 H ASP A 80 -1.949 -13.375 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.848 -13.035 -5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.400 -12.281 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.964 -13.891 -6.203 1.00 0.00 H new ATOM 1182 N GLU A 81 -4.462 -15.160 -6.851 1.00 0.00 N ATOM 1183 CA GLU A 81 -4.890 -16.416 -7.457 1.00 0.00 C ATOM 1184 C GLU A 81 -3.691 -17.218 -7.951 1.00 0.00 C ATOM 1185 O GLU A 81 -2.828 -16.695 -8.657 1.00 0.00 O ATOM 1186 CB GLU A 81 -5.851 -16.147 -8.617 1.00 0.00 C ATOM 1187 CG GLU A 81 -6.791 -17.304 -8.910 1.00 0.00 C ATOM 1188 CD GLU A 81 -7.562 -17.755 -7.685 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -8.616 -17.151 -7.393 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -7.112 -18.709 -7.017 1.00 0.00 O ATOM 0 H GLU A 81 -5.090 -14.374 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.406 -17.000 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.441 -15.259 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.272 -15.925 -9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.494 -17.007 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.217 -18.143 -9.302 1.00 0.00 H new ATOM 1197 N ASP A 82 -3.643 -18.492 -7.575 1.00 0.00 N ATOM 1198 CA ASP A 82 -2.550 -19.368 -7.981 1.00 0.00 C ATOM 1199 C ASP A 82 -2.384 -19.364 -9.497 1.00 0.00 C ATOM 1200 O ASP A 82 -3.242 -18.864 -10.223 1.00 0.00 O ATOM 1201 CB ASP A 82 -2.801 -20.794 -7.486 1.00 0.00 C ATOM 1202 CG ASP A 82 -4.261 -21.189 -7.578 1.00 0.00 C ATOM 1203 OD1 ASP A 82 -5.016 -20.900 -6.625 1.00 0.00 O ATOM 1204 OD2 ASP A 82 -4.650 -21.788 -8.603 1.00 0.00 O ATOM 0 H ASP A 82 -4.348 -18.941 -6.990 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.630 -18.992 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.201 -21.490 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.469 -20.880 -6.452 1.00 0.00 H new ATOM 1209 N GLU A 83 -1.273 -19.924 -9.967 1.00 0.00 N ATOM 1210 CA GLU A 83 -0.995 -19.982 -11.397 1.00 0.00 C ATOM 1211 C GLU A 83 0.276 -20.782 -11.672 1.00 0.00 C ATOM 1212 O GLU A 83 1.155 -20.881 -10.817 1.00 0.00 O ATOM 1213 CB GLU A 83 -0.856 -18.571 -11.971 1.00 0.00 C ATOM 1214 CG GLU A 83 -0.356 -18.543 -13.405 1.00 0.00 C ATOM 1215 CD GLU A 83 -0.570 -17.198 -14.072 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -1.741 -16.796 -14.234 1.00 0.00 O ATOM 1217 OE2 GLU A 83 0.433 -16.547 -14.431 1.00 0.00 O ATOM 0 H GLU A 83 -0.552 -20.343 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.832 -20.483 -11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.824 -18.072 -11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.171 -17.999 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.706 -18.787 -13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.868 -19.315 -13.979 1.00 0.00 H new ATOM 1224 N GLU A 84 0.363 -21.350 -12.870 1.00 0.00 N ATOM 1225 CA GLU A 84 1.525 -22.142 -13.257 1.00 0.00 C ATOM 1226 C GLU A 84 2.818 -21.461 -12.817 1.00 0.00 C ATOM 1227 O GLU A 84 3.300 -20.537 -13.473 1.00 0.00 O ATOM 1228 CB GLU A 84 1.541 -22.360 -14.771 1.00 0.00 C ATOM 1229 CG GLU A 84 0.434 -23.276 -15.265 1.00 0.00 C ATOM 1230 CD GLU A 84 0.175 -23.129 -16.752 1.00 0.00 C ATOM 1231 OE1 GLU A 84 0.269 -21.992 -17.260 1.00 0.00 O ATOM 1232 OE2 GLU A 84 -0.122 -24.149 -17.407 1.00 0.00 O ATOM 0 H GLU A 84 -0.357 -21.277 -13.589 1.00 0.00 H new ATOM 0 HA GLU A 84 1.455 -23.109 -12.759 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.452 -21.395 -15.270 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.505 -22.780 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.699 -24.310 -15.047 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.483 -23.060 -14.717 1.00 0.00 H new ATOM 1239 N ASP A 85 3.374 -21.923 -11.702 1.00 0.00 N ATOM 1240 CA ASP A 85 4.611 -21.360 -11.174 1.00 0.00 C ATOM 1241 C ASP A 85 5.448 -22.435 -10.488 1.00 0.00 C ATOM 1242 O ASP A 85 5.003 -23.572 -10.326 1.00 0.00 O ATOM 1243 CB ASP A 85 4.303 -20.231 -10.190 1.00 0.00 C ATOM 1244 CG ASP A 85 5.426 -19.216 -10.103 1.00 0.00 C ATOM 1245 OD1 ASP A 85 6.379 -19.451 -9.332 1.00 0.00 O ATOM 1246 OD2 ASP A 85 5.350 -18.186 -10.806 1.00 0.00 O ATOM 0 H ASP A 85 2.987 -22.686 -11.146 1.00 0.00 H new ATOM 0 HA ASP A 85 5.184 -20.957 -12.009 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.385 -19.728 -10.495 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.122 -20.654 -9.202 1.00 0.00 H new ATOM 1251 N ILE A 86 6.661 -22.069 -10.088 1.00 0.00 N ATOM 1252 CA ILE A 86 7.559 -23.002 -9.420 1.00 0.00 C ATOM 1253 C ILE A 86 7.116 -23.259 -7.984 1.00 0.00 C ATOM 1254 O ILE A 86 6.928 -22.324 -7.204 1.00 0.00 O ATOM 1255 CB ILE A 86 9.008 -22.481 -9.412 1.00 0.00 C ATOM 1256 CG1 ILE A 86 9.529 -22.336 -10.844 1.00 0.00 C ATOM 1257 CG2 ILE A 86 9.902 -23.413 -8.609 1.00 0.00 C ATOM 1258 CD1 ILE A 86 9.270 -20.973 -11.447 1.00 0.00 C ATOM 0 H ILE A 86 7.044 -21.132 -10.215 1.00 0.00 H new ATOM 0 HA ILE A 86 7.520 -23.935 -9.983 1.00 0.00 H new ATOM 0 HB ILE A 86 9.023 -21.499 -8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 86 10.602 -22.530 -10.853 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.062 -23.096 -11.470 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.923 -23.031 -8.613 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.540 -23.470 -7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.885 -24.407 -9.055 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.666 -20.943 -12.462 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.197 -20.783 -11.470 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.760 -20.209 -10.844 1.00 0.00 H new ATOM 1270 N ASP A 87 6.951 -24.531 -7.640 1.00 0.00 N ATOM 1271 CA ASP A 87 6.532 -24.912 -6.296 1.00 0.00 C ATOM 1272 C ASP A 87 7.030 -26.312 -5.948 1.00 0.00 C ATOM 1273 O ASP A 87 6.544 -27.306 -6.488 1.00 0.00 O ATOM 1274 CB ASP A 87 5.009 -24.855 -6.178 1.00 0.00 C ATOM 1275 CG ASP A 87 4.312 -25.344 -7.433 1.00 0.00 C ATOM 1276 OD1 ASP A 87 4.802 -26.317 -8.042 1.00 0.00 O ATOM 1277 OD2 ASP A 87 3.277 -24.752 -7.806 1.00 0.00 O ATOM 0 H ASP A 87 7.101 -25.316 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 87 6.969 -24.205 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.690 -25.461 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.702 -23.830 -5.971 1.00 0.00 H new ATOM 1282 N SER A 88 8.002 -26.381 -5.044 1.00 0.00 N ATOM 1283 CA SER A 88 8.569 -27.659 -4.628 1.00 0.00 C ATOM 1284 C SER A 88 7.467 -28.646 -4.254 1.00 0.00 C ATOM 1285 O SER A 88 7.521 -29.820 -4.618 1.00 0.00 O ATOM 1286 CB SER A 88 9.514 -27.459 -3.442 1.00 0.00 C ATOM 1287 OG SER A 88 8.869 -26.766 -2.387 1.00 0.00 O ATOM 0 H SER A 88 8.413 -25.568 -4.586 1.00 0.00 H new ATOM 0 HA SER A 88 9.131 -28.070 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.864 -28.427 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.393 -26.901 -3.764 1.00 0.00 H new ATOM 0 HG SER A 88 9.493 -26.652 -1.640 1.00 0.00 H new ATOM 1293 N GLY A 89 6.468 -28.160 -3.524 1.00 0.00 N ATOM 1294 CA GLY A 89 5.367 -29.011 -3.112 1.00 0.00 C ATOM 1295 C GLY A 89 4.129 -28.219 -2.743 1.00 0.00 C ATOM 1296 O GLY A 89 4.051 -27.010 -2.959 1.00 0.00 O ATOM 0 H GLY A 89 6.401 -27.192 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.125 -29.703 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.677 -29.613 -2.258 1.00 0.00 H new ATOM 1300 N PRO A 90 3.129 -28.909 -2.173 1.00 0.00 N ATOM 1301 CA PRO A 90 1.869 -28.282 -1.761 1.00 0.00 C ATOM 1302 C PRO A 90 2.046 -27.357 -0.562 1.00 0.00 C ATOM 1303 O PRO A 90 3.166 -27.117 -0.111 1.00 0.00 O ATOM 1304 CB PRO A 90 0.985 -29.475 -1.391 1.00 0.00 C ATOM 1305 CG PRO A 90 1.941 -30.555 -1.017 1.00 0.00 C ATOM 1306 CD PRO A 90 3.152 -30.353 -1.885 1.00 0.00 C ATOM 0 HA PRO A 90 1.451 -27.651 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.319 -29.232 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.356 -29.776 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.203 -30.496 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.502 -31.539 -1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.068 -30.646 -1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.095 -30.946 -2.798 1.00 0.00 H new ATOM 1314 N SER A 91 0.934 -26.841 -0.050 1.00 0.00 N ATOM 1315 CA SER A 91 0.967 -25.939 1.096 1.00 0.00 C ATOM 1316 C SER A 91 -0.314 -26.056 1.916 1.00 0.00 C ATOM 1317 O SER A 91 -1.297 -26.649 1.472 1.00 0.00 O ATOM 1318 CB SER A 91 1.156 -24.494 0.629 1.00 0.00 C ATOM 1319 OG SER A 91 2.357 -24.351 -0.110 1.00 0.00 O ATOM 0 H SER A 91 -0.001 -27.032 -0.410 1.00 0.00 H new ATOM 0 HA SER A 91 1.809 -26.223 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.308 -24.193 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.175 -23.829 1.492 1.00 0.00 H new ATOM 0 HG SER A 91 2.455 -23.420 -0.399 1.00 0.00 H new ATOM 1325 N SER A 92 -0.294 -25.486 3.117 1.00 0.00 N ATOM 1326 CA SER A 92 -1.452 -25.530 4.003 1.00 0.00 C ATOM 1327 C SER A 92 -1.566 -24.240 4.810 1.00 0.00 C ATOM 1328 O SER A 92 -0.594 -23.781 5.408 1.00 0.00 O ATOM 1329 CB SER A 92 -1.353 -26.729 4.947 1.00 0.00 C ATOM 1330 OG SER A 92 -0.153 -26.689 5.699 1.00 0.00 O ATOM 0 H SER A 92 0.511 -24.989 3.499 1.00 0.00 H new ATOM 0 HA SER A 92 -2.346 -25.634 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.209 -26.736 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.394 -27.653 4.371 1.00 0.00 H new ATOM 0 HG SER A 92 0.105 -25.756 5.854 1.00 0.00 H new ATOM 1336 N GLY A 93 -2.763 -23.661 4.822 1.00 0.00 N ATOM 1337 CA GLY A 93 -2.984 -22.430 5.559 1.00 0.00 C ATOM 1338 C GLY A 93 -4.014 -22.590 6.660 1.00 0.00 C ATOM 1339 O GLY A 93 -4.103 -23.669 7.244 1.00 0.00 O ATOM 0 H GLY A 93 -3.583 -24.022 4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.042 -22.096 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.311 -21.651 4.870 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.603 5.947 7.466 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.880 -0.452 4.122 1.00 0.00 ZN