USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 45 ASN : amide:sc= 0.857 K(o=1.9,f=-2.9) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 175:sc= 1.05 (180deg=0) USER MOD Set 2.1: A 50 MET CE :methyl -157:sc= 0 (180deg=-0.0521) USER MOD Set 2.2: A 76 THR OG1 : rot 28:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0105) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0.721 (180deg=0.706) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0.747 (180deg=0.599) USER MOD Single : A 23 ASN : amide:sc= 0.394 X(o=0.39,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 31 ASN : amide:sc= 0.72 K(o=0.72,f=-6.2!) USER MOD Single : A 37 THR OG1 : rot -36:sc= 1.22 USER MOD Single : A 46 TYR OH : rot -46:sc= 1.14 USER MOD Single : A 47 SER OG : rot 168:sc= 1.29 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00862 USER MOD Single : A 63 GLN : amide:sc= 0.396 K(o=0.4,f=-0.6) USER MOD Single : A 67 THR OG1 : rot 57:sc= 1.18 USER MOD Single : A 68 ASN : amide:sc= 0.445 K(o=0.44,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.564) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -138:sc= -0.19 (180deg=-0.756) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.392 X(o=0.39,f=-0.031) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.68 K(o=0.68,f=-0.011) USER MOD Single : A 100 GLN : amide:sc= 0.351 X(o=0.35,f=-0.016) USER MOD Single : A 101 HEC O2A : rot -107:sc= 0.538 USER MOD Single : A 101 HEC O2D : rot 98:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.477 0.320 -0.264 1.00 0.00 N ATOM 2 CA MET A 1 2.806 0.527 0.373 1.00 0.00 C ATOM 3 C MET A 1 3.960 0.009 -0.536 1.00 0.00 C ATOM 4 O MET A 1 4.657 0.816 -1.157 1.00 0.00 O ATOM 5 CB MET A 1 2.822 -0.024 1.828 1.00 0.00 C ATOM 6 CG MET A 1 1.941 0.722 2.849 1.00 0.00 C ATOM 7 SD MET A 1 2.545 2.401 3.110 1.00 0.00 S ATOM 8 CE MET A 1 1.414 2.919 4.412 1.00 0.00 C ATOM 0 H1 MET A 1 0.736 0.736 0.336 1.00 0.00 H new ATOM 0 H2 MET A 1 1.465 0.778 -1.198 1.00 0.00 H new ATOM 0 H3 MET A 1 1.300 -0.699 -0.375 1.00 0.00 H new ATOM 0 HA MET A 1 2.990 1.597 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.508 -1.067 1.802 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.851 -0.010 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.911 0.752 2.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.936 0.181 3.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.640 3.945 4.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.389 2.863 4.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.528 2.263 5.275 1.00 0.00 H new ATOM 19 N ALA A 2 4.168 -1.314 -0.643 1.00 0.00 N ATOM 20 CA ALA A 2 5.276 -1.895 -1.445 1.00 0.00 C ATOM 21 C ALA A 2 4.925 -2.039 -2.962 1.00 0.00 C ATOM 22 O ALA A 2 4.512 -3.104 -3.430 1.00 0.00 O ATOM 23 CB ALA A 2 5.665 -3.221 -0.761 1.00 0.00 C ATOM 0 H ALA A 2 3.583 -2.012 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 2 6.135 -1.224 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.479 -3.690 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.988 -3.022 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.804 -3.889 -0.746 1.00 0.00 H new ATOM 29 N ASP A 3 5.090 -0.945 -3.730 1.00 0.00 N ATOM 30 CA ASP A 3 4.744 -0.916 -5.177 1.00 0.00 C ATOM 31 C ASP A 3 5.868 -0.189 -6.002 1.00 0.00 C ATOM 32 O ASP A 3 5.850 1.047 -6.068 1.00 0.00 O ATOM 33 CB ASP A 3 3.332 -0.288 -5.339 1.00 0.00 C ATOM 34 CG ASP A 3 2.736 -0.475 -6.734 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.022 0.241 -7.690 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.883 -1.540 -6.796 1.00 0.00 O ATOM 0 H ASP A 3 5.462 -0.063 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 3 4.698 -1.925 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.660 -0.730 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.390 0.778 -5.117 1.00 0.00 H new ATOM 41 N PRO A 4 6.811 -0.898 -6.696 1.00 0.00 N ATOM 42 CA PRO A 4 7.786 -0.257 -7.626 1.00 0.00 C ATOM 43 C PRO A 4 7.261 0.603 -8.825 1.00 0.00 C ATOM 44 O PRO A 4 7.893 1.604 -9.165 1.00 0.00 O ATOM 45 CB PRO A 4 8.659 -1.447 -8.073 1.00 0.00 C ATOM 46 CG PRO A 4 8.559 -2.458 -6.931 1.00 0.00 C ATOM 47 CD PRO A 4 7.115 -2.324 -6.446 1.00 0.00 C ATOM 0 HA PRO A 4 8.304 0.542 -7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.298 -1.872 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.691 -1.139 -8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.773 -3.470 -7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.270 -2.234 -6.136 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.442 -2.982 -6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.019 -2.578 -5.390 1.00 0.00 H new ATOM 55 N ALA A 5 6.119 0.246 -9.445 1.00 0.00 N ATOM 56 CA ALA A 5 5.471 1.069 -10.508 1.00 0.00 C ATOM 57 C ALA A 5 4.970 2.488 -10.070 1.00 0.00 C ATOM 58 O ALA A 5 5.322 3.482 -10.712 1.00 0.00 O ATOM 59 CB ALA A 5 4.355 0.202 -11.123 1.00 0.00 C ATOM 0 H ALA A 5 5.615 -0.615 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 5 6.230 1.329 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.850 0.763 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.789 -0.704 -11.546 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.636 -0.067 -10.350 1.00 0.00 H new ATOM 65 N ALA A 6 4.225 2.603 -8.951 1.00 0.00 N ATOM 66 CA ALA A 6 4.013 3.899 -8.249 1.00 0.00 C ATOM 67 C ALA A 6 5.308 4.662 -7.803 1.00 0.00 C ATOM 68 O ALA A 6 5.395 5.872 -8.016 1.00 0.00 O ATOM 69 CB ALA A 6 3.075 3.611 -7.062 1.00 0.00 C ATOM 0 H ALA A 6 3.756 1.813 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 6 3.574 4.596 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.888 4.534 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.131 3.212 -7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.541 2.883 -6.398 1.00 0.00 H new ATOM 75 N GLY A 7 6.327 3.970 -7.255 1.00 0.00 N ATOM 76 CA GLY A 7 7.670 4.569 -7.017 1.00 0.00 C ATOM 77 C GLY A 7 8.467 5.115 -8.228 1.00 0.00 C ATOM 78 O GLY A 7 9.106 6.158 -8.097 1.00 0.00 O ATOM 0 H GLY A 7 6.252 2.995 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.546 5.387 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.287 3.814 -6.529 1.00 0.00 H new ATOM 82 N GLU A 8 8.396 4.464 -9.401 1.00 0.00 N ATOM 83 CA GLU A 8 8.814 5.062 -10.706 1.00 0.00 C ATOM 84 C GLU A 8 8.104 6.415 -11.070 1.00 0.00 C ATOM 85 O GLU A 8 8.785 7.380 -11.423 1.00 0.00 O ATOM 86 CB GLU A 8 8.642 3.957 -11.789 1.00 0.00 C ATOM 87 CG GLU A 8 9.353 4.190 -13.149 1.00 0.00 C ATOM 88 CD GLU A 8 8.725 5.218 -14.091 1.00 0.00 C ATOM 89 OE1 GLU A 8 7.460 4.880 -14.466 1.00 0.00 O ATOM 90 OE2 GLU A 8 9.300 6.230 -14.477 1.00 0.00 O ATOM 0 H GLU A 8 8.049 3.508 -9.485 1.00 0.00 H new ATOM 0 HA GLU A 8 9.857 5.370 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.003 3.016 -11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.576 3.832 -11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.379 4.497 -12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.403 3.236 -13.673 1.00 0.00 H new ATOM 97 N LYS A 9 6.765 6.505 -10.933 1.00 0.00 N ATOM 98 CA LYS A 9 6.017 7.799 -11.002 1.00 0.00 C ATOM 99 C LYS A 9 6.472 8.885 -9.960 1.00 0.00 C ATOM 100 O LYS A 9 6.724 10.027 -10.352 1.00 0.00 O ATOM 101 CB LYS A 9 4.488 7.528 -10.910 1.00 0.00 C ATOM 102 CG LYS A 9 3.872 6.665 -12.037 1.00 0.00 C ATOM 103 CD LYS A 9 2.369 6.405 -11.819 1.00 0.00 C ATOM 104 CE LYS A 9 1.768 5.521 -12.921 1.00 0.00 C ATOM 105 NZ LYS A 9 0.329 5.311 -12.666 1.00 0.00 N ATOM 0 H LYS A 9 6.166 5.695 -10.772 1.00 0.00 H new ATOM 0 HA LYS A 9 6.261 8.238 -11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.284 7.040 -9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.972 8.488 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.017 7.165 -12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.399 5.712 -12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.221 5.927 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.838 7.356 -11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.909 5.991 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.285 4.562 -12.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.073 4.712 -13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.204 4.844 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.160 6.229 -12.658 1.00 0.00 H new ATOM 118 N VAL A 10 6.644 8.532 -8.666 1.00 0.00 N ATOM 119 CA VAL A 10 7.296 9.423 -7.645 1.00 0.00 C ATOM 120 C VAL A 10 8.777 9.838 -7.999 1.00 0.00 C ATOM 121 O VAL A 10 9.133 11.005 -7.802 1.00 0.00 O ATOM 122 CB VAL A 10 7.180 8.825 -6.196 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.691 9.792 -5.100 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.751 8.425 -5.753 1.00 0.00 C ATOM 0 H VAL A 10 6.342 7.633 -8.290 1.00 0.00 H new ATOM 0 HA VAL A 10 6.731 10.355 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 10 7.800 7.933 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.585 9.322 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.741 10.023 -5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.107 10.712 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.783 8.024 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.104 9.302 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.359 7.667 -6.431 1.00 0.00 H new ATOM 134 N PHE A 11 9.621 8.938 -8.555 1.00 0.00 N ATOM 135 CA PHE A 11 10.960 9.301 -9.115 1.00 0.00 C ATOM 136 C PHE A 11 10.993 10.429 -10.220 1.00 0.00 C ATOM 137 O PHE A 11 12.038 11.059 -10.379 1.00 0.00 O ATOM 138 CB PHE A 11 11.685 7.989 -9.556 1.00 0.00 C ATOM 139 CG PHE A 11 13.224 8.091 -9.663 1.00 0.00 C ATOM 140 CD1 PHE A 11 13.826 8.538 -10.843 1.00 0.00 C ATOM 141 CD2 PHE A 11 14.033 7.777 -8.566 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.205 8.747 -10.897 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.410 7.970 -8.627 1.00 0.00 C ATOM 144 CZ PHE A 11 15.993 8.484 -9.782 1.00 0.00 C ATOM 0 H PHE A 11 9.403 7.945 -8.632 1.00 0.00 H new ATOM 0 HA PHE A 11 11.505 9.790 -8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.438 7.200 -8.846 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.289 7.682 -10.524 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.220 8.723 -11.718 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.586 7.382 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.660 9.113 -11.805 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.027 7.721 -7.777 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.055 8.678 -9.812 1.00 0.00 H new ATOM 154 N GLY A 12 9.875 10.772 -10.898 1.00 0.00 N ATOM 155 CA GLY A 12 9.706 12.094 -11.583 1.00 0.00 C ATOM 156 C GLY A 12 10.116 13.402 -10.843 1.00 0.00 C ATOM 157 O GLY A 12 10.688 14.298 -11.468 1.00 0.00 O ATOM 0 H GLY A 12 9.068 10.156 -10.991 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.273 12.054 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.655 12.189 -11.854 1.00 0.00 H new ATOM 161 N LYS A 13 9.875 13.497 -9.524 1.00 0.00 N ATOM 162 CA LYS A 13 10.506 14.539 -8.653 1.00 0.00 C ATOM 163 C LYS A 13 12.065 14.430 -8.464 1.00 0.00 C ATOM 164 O LYS A 13 12.745 15.458 -8.407 1.00 0.00 O ATOM 165 CB LYS A 13 9.795 14.519 -7.269 1.00 0.00 C ATOM 166 CG LYS A 13 8.338 15.038 -7.254 1.00 0.00 C ATOM 167 CD LYS A 13 7.705 14.953 -5.852 1.00 0.00 C ATOM 168 CE LYS A 13 6.279 15.519 -5.814 1.00 0.00 C ATOM 169 NZ LYS A 13 5.764 15.498 -4.430 1.00 0.00 N ATOM 0 H LYS A 13 9.247 12.868 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 13 10.369 15.487 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.800 13.496 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.381 15.117 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.319 16.072 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.740 14.458 -7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.688 13.913 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.328 15.498 -5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.274 16.539 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.628 14.932 -6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.798 15.883 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.753 14.519 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.378 16.077 -3.822 1.00 0.00 H new ATOM 182 N CYS A 14 12.620 13.212 -8.338 1.00 0.00 N ATOM 183 CA CYS A 14 14.081 12.979 -8.177 1.00 0.00 C ATOM 184 C CYS A 14 14.945 13.047 -9.494 1.00 0.00 C ATOM 185 O CYS A 14 16.074 13.544 -9.452 1.00 0.00 O ATOM 186 CB CYS A 14 14.236 11.619 -7.448 1.00 0.00 C ATOM 187 SG CYS A 14 12.988 11.291 -6.156 1.00 0.00 S ATOM 0 H CYS A 14 12.072 12.352 -8.344 1.00 0.00 H new ATOM 0 HA CYS A 14 14.489 13.807 -7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.190 10.820 -8.188 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.226 11.577 -6.995 1.00 0.00 H new ATOM 192 N LYS A 15 14.427 12.561 -10.645 1.00 0.00 N ATOM 193 CA LYS A 15 15.162 12.475 -11.948 1.00 0.00 C ATOM 194 C LYS A 15 15.792 13.756 -12.578 1.00 0.00 C ATOM 195 O LYS A 15 16.791 13.637 -13.293 1.00 0.00 O ATOM 196 CB LYS A 15 14.284 11.705 -12.978 1.00 0.00 C ATOM 197 CG LYS A 15 12.957 12.343 -13.461 1.00 0.00 C ATOM 198 CD LYS A 15 13.072 13.247 -14.706 1.00 0.00 C ATOM 199 CE LYS A 15 11.744 13.884 -15.154 1.00 0.00 C ATOM 200 NZ LYS A 15 11.332 14.994 -14.269 1.00 0.00 N ATOM 0 H LYS A 15 13.471 12.209 -10.706 1.00 0.00 H new ATOM 0 HA LYS A 15 16.071 11.939 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.898 11.517 -13.859 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.044 10.734 -12.544 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.247 11.545 -13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.537 12.930 -12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.790 14.041 -14.499 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.476 12.659 -15.531 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.846 14.254 -16.174 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.964 13.123 -15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.489 15.458 -14.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.111 14.621 -13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.106 15.685 -14.196 1.00 0.00 H new ATOM 213 N ALA A 16 15.254 14.963 -12.319 1.00 0.00 N ATOM 214 CA ALA A 16 15.945 16.239 -12.666 1.00 0.00 C ATOM 215 C ALA A 16 17.376 16.457 -12.059 1.00 0.00 C ATOM 216 O ALA A 16 18.230 17.065 -12.710 1.00 0.00 O ATOM 217 CB ALA A 16 14.977 17.376 -12.287 1.00 0.00 C ATOM 0 H ALA A 16 14.346 15.091 -11.872 1.00 0.00 H new ATOM 0 HA ALA A 16 16.167 16.212 -13.733 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.435 18.337 -12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.051 17.268 -12.851 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.760 17.328 -11.220 1.00 0.00 H new ATOM 223 N CYS A 17 17.634 15.948 -10.840 1.00 0.00 N ATOM 224 CA CYS A 17 18.987 15.914 -10.231 1.00 0.00 C ATOM 225 C CYS A 17 19.707 14.519 -10.239 1.00 0.00 C ATOM 226 O CYS A 17 20.935 14.487 -10.371 1.00 0.00 O ATOM 227 CB CYS A 17 18.825 16.463 -8.801 1.00 0.00 C ATOM 228 SG CYS A 17 17.887 18.021 -8.787 1.00 0.00 S ATOM 0 H CYS A 17 16.911 15.546 -10.244 1.00 0.00 H new ATOM 0 HA CYS A 17 19.653 16.522 -10.843 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.315 15.725 -8.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.808 16.625 -8.359 1.00 0.00 H new ATOM 233 N HIS A 18 18.985 13.392 -10.066 1.00 0.00 N ATOM 234 CA HIS A 18 19.578 12.052 -9.789 1.00 0.00 C ATOM 235 C HIS A 18 19.406 11.023 -10.955 1.00 0.00 C ATOM 236 O HIS A 18 18.342 10.921 -11.573 1.00 0.00 O ATOM 237 CB HIS A 18 18.877 11.491 -8.525 1.00 0.00 C ATOM 238 CG HIS A 18 19.302 12.107 -7.197 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.449 11.732 -6.545 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.494 12.870 -6.350 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.209 12.235 -5.304 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.034 12.942 -5.055 1.00 0.00 N ATOM 0 H HIS A 18 17.966 13.379 -10.114 1.00 0.00 H new ATOM 0 HA HIS A 18 20.652 12.187 -9.660 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.802 11.628 -8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.058 10.417 -8.479 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.258 11.218 -6.894 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.572 13.344 -6.652 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.928 12.087 -4.512 1.00 0.00 H new ATOM 250 N LYS A 19 20.438 10.189 -11.181 1.00 0.00 N ATOM 251 CA LYS A 19 20.432 9.144 -12.249 1.00 0.00 C ATOM 252 C LYS A 19 20.303 7.687 -11.689 1.00 0.00 C ATOM 253 O LYS A 19 20.813 7.351 -10.616 1.00 0.00 O ATOM 254 CB LYS A 19 21.731 9.310 -13.095 1.00 0.00 C ATOM 255 CG LYS A 19 21.699 10.464 -14.136 1.00 0.00 C ATOM 256 CD LYS A 19 22.872 11.468 -14.052 1.00 0.00 C ATOM 257 CE LYS A 19 22.847 12.427 -12.848 1.00 0.00 C ATOM 258 NZ LYS A 19 21.719 13.379 -12.931 1.00 0.00 N ATOM 0 H LYS A 19 21.301 10.211 -10.637 1.00 0.00 H new ATOM 0 HA LYS A 19 19.548 9.290 -12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.568 9.476 -12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.926 8.374 -13.619 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.687 10.029 -15.135 1.00 0.00 H new ATOM 0 HG3 LYS A 19 20.765 11.012 -14.016 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.806 10.906 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.883 12.062 -14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.770 11.851 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.786 12.978 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 21.567 13.819 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.938 14.116 -13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.858 12.872 -13.219 1.00 0.00 H new ATOM 271 N LEU A 20 19.659 6.802 -12.474 1.00 0.00 N ATOM 272 CA LEU A 20 19.608 5.328 -12.188 1.00 0.00 C ATOM 273 C LEU A 20 20.573 4.417 -13.032 1.00 0.00 C ATOM 274 O LEU A 20 20.474 3.190 -12.937 1.00 0.00 O ATOM 275 CB LEU A 20 18.133 4.847 -12.333 1.00 0.00 C ATOM 276 CG LEU A 20 17.103 5.414 -11.325 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.682 5.031 -11.754 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.343 4.944 -9.879 1.00 0.00 C ATOM 0 H LEU A 20 19.159 7.071 -13.321 1.00 0.00 H new ATOM 0 HA LEU A 20 19.979 5.212 -11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.794 5.095 -13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.122 3.760 -12.252 1.00 0.00 H new ATOM 0 HG LEU A 20 17.228 6.497 -11.335 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.965 5.434 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.478 5.441 -12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.592 3.945 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.586 5.378 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.281 3.857 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.332 5.264 -9.552 1.00 0.00 H new ATOM 290 N ASP A 21 21.530 4.968 -13.801 1.00 0.00 N ATOM 291 CA ASP A 21 22.594 4.170 -14.484 1.00 0.00 C ATOM 292 C ASP A 21 24.020 4.671 -14.076 1.00 0.00 C ATOM 293 O ASP A 21 24.800 5.142 -14.911 1.00 0.00 O ATOM 294 CB ASP A 21 22.336 4.183 -16.018 1.00 0.00 C ATOM 295 CG ASP A 21 21.126 3.370 -16.478 1.00 0.00 C ATOM 296 OD1 ASP A 21 21.152 2.159 -16.671 1.00 0.00 O ATOM 297 OD2 ASP A 21 20.016 4.139 -16.650 1.00 0.00 O ATOM 0 H ASP A 21 21.598 5.971 -13.973 1.00 0.00 H new ATOM 0 HA ASP A 21 22.554 3.130 -14.160 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.204 5.216 -16.340 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.224 3.802 -16.523 1.00 0.00 H new ATOM 302 N GLY A 22 24.365 4.574 -12.777 1.00 0.00 N ATOM 303 CA GLY A 22 25.736 4.859 -12.256 1.00 0.00 C ATOM 304 C GLY A 22 26.319 6.304 -12.238 1.00 0.00 C ATOM 305 O GLY A 22 27.334 6.531 -11.581 1.00 0.00 O ATOM 0 H GLY A 22 23.706 4.296 -12.050 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.767 4.493 -11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.428 4.246 -12.834 1.00 0.00 H new ATOM 309 N ASN A 23 25.729 7.257 -12.974 1.00 0.00 N ATOM 310 CA ASN A 23 26.350 8.581 -13.269 1.00 0.00 C ATOM 311 C ASN A 23 26.025 9.700 -12.219 1.00 0.00 C ATOM 312 O ASN A 23 25.113 9.601 -11.395 1.00 0.00 O ATOM 313 CB ASN A 23 25.917 8.962 -14.717 1.00 0.00 C ATOM 314 CG ASN A 23 26.758 8.334 -15.834 1.00 0.00 C ATOM 315 OD1 ASN A 23 27.762 8.890 -16.263 1.00 0.00 O ATOM 316 ND2 ASN A 23 26.404 7.181 -16.349 1.00 0.00 N ATOM 0 H ASN A 23 24.804 7.142 -13.388 1.00 0.00 H new ATOM 0 HA ASN A 23 27.434 8.496 -13.195 1.00 0.00 H new ATOM 0 HB2 ASN A 23 24.877 8.668 -14.858 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.958 10.046 -14.818 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.961 6.762 -17.094 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.571 6.703 -16.005 1.00 0.00 H new ATOM 323 N ASP A 24 26.835 10.772 -12.206 1.00 0.00 N ATOM 324 CA ASP A 24 26.713 11.893 -11.223 1.00 0.00 C ATOM 325 C ASP A 24 26.704 13.276 -11.950 1.00 0.00 C ATOM 326 O ASP A 24 27.455 13.489 -12.908 1.00 0.00 O ATOM 327 CB ASP A 24 27.908 11.811 -10.231 1.00 0.00 C ATOM 328 CG ASP A 24 27.996 10.666 -9.215 1.00 0.00 C ATOM 329 OD1 ASP A 24 26.975 9.758 -9.298 1.00 0.00 O ATOM 330 OD2 ASP A 24 28.903 10.603 -8.394 1.00 0.00 O ATOM 0 H ASP A 24 27.597 10.898 -12.872 1.00 0.00 H new ATOM 0 HA ASP A 24 25.771 11.800 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.820 11.784 -10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.923 12.744 -9.667 1.00 0.00 H new ATOM 335 N GLY A 25 25.880 14.226 -11.472 1.00 0.00 N ATOM 336 CA GLY A 25 25.813 15.586 -12.074 1.00 0.00 C ATOM 337 C GLY A 25 25.417 16.669 -11.063 1.00 0.00 C ATOM 338 O GLY A 25 26.258 17.124 -10.285 1.00 0.00 O ATOM 0 H GLY A 25 25.254 14.087 -10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 25 26.783 15.835 -12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 25 25.093 15.580 -12.893 1.00 0.00 H new ATOM 342 N VAL A 26 24.133 17.058 -11.050 1.00 0.00 N ATOM 343 CA VAL A 26 23.559 17.902 -9.949 1.00 0.00 C ATOM 344 C VAL A 26 23.496 17.111 -8.594 1.00 0.00 C ATOM 345 O VAL A 26 24.016 17.602 -7.590 1.00 0.00 O ATOM 346 CB VAL A 26 22.201 18.553 -10.399 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.494 19.372 -9.292 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.336 19.491 -11.625 1.00 0.00 C ATOM 0 H VAL A 26 23.462 16.812 -11.778 1.00 0.00 H new ATOM 0 HA VAL A 26 24.229 18.738 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 26 21.601 17.679 -10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.565 19.787 -9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.273 18.723 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.146 20.183 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.359 19.903 -11.877 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.022 20.304 -11.387 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.722 18.927 -12.474 1.00 0.00 H new ATOM 358 N GLY A 27 22.908 15.901 -8.578 1.00 0.00 N ATOM 359 CA GLY A 27 23.073 14.936 -7.462 1.00 0.00 C ATOM 360 C GLY A 27 23.877 13.645 -7.817 1.00 0.00 C ATOM 361 O GLY A 27 24.230 13.434 -8.987 1.00 0.00 O ATOM 0 H GLY A 27 22.308 15.561 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.573 15.441 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.085 14.644 -7.106 1.00 0.00 H new ATOM 365 N PRO A 28 24.161 12.727 -6.848 1.00 0.00 N ATOM 366 CA PRO A 28 24.742 11.387 -7.152 1.00 0.00 C ATOM 367 C PRO A 28 23.740 10.376 -7.812 1.00 0.00 C ATOM 368 O PRO A 28 22.565 10.675 -8.050 1.00 0.00 O ATOM 369 CB PRO A 28 25.239 10.970 -5.747 1.00 0.00 C ATOM 370 CG PRO A 28 24.252 11.612 -4.772 1.00 0.00 C ATOM 371 CD PRO A 28 23.959 12.969 -5.405 1.00 0.00 C ATOM 0 HA PRO A 28 25.521 11.404 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.252 9.885 -5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.255 11.320 -5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.346 11.015 -4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.683 11.718 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.943 13.300 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.631 13.741 -5.029 1.00 0.00 H new ATOM 379 N HIS A 29 24.201 9.149 -8.090 1.00 0.00 N ATOM 380 CA HIS A 29 23.318 8.055 -8.580 1.00 0.00 C ATOM 381 C HIS A 29 22.448 7.407 -7.450 1.00 0.00 C ATOM 382 O HIS A 29 22.942 7.137 -6.348 1.00 0.00 O ATOM 383 CB HIS A 29 24.167 7.023 -9.369 1.00 0.00 C ATOM 384 CG HIS A 29 25.177 6.170 -8.597 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.459 6.589 -8.278 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.978 4.839 -8.206 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.936 5.429 -7.727 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.121 4.334 -7.617 1.00 0.00 N ATOM 0 H HIS A 29 25.179 8.878 -7.987 1.00 0.00 H new ATOM 0 HA HIS A 29 22.584 8.487 -9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.480 6.346 -9.876 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.712 7.563 -10.143 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.061 4.286 -8.345 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.957 5.378 -7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.304 3.414 -7.217 1.00 0.00 H new ATOM 396 N LEU A 30 21.165 7.126 -7.731 1.00 0.00 N ATOM 397 CA LEU A 30 20.271 6.384 -6.781 1.00 0.00 C ATOM 398 C LEU A 30 20.059 4.856 -7.058 1.00 0.00 C ATOM 399 O LEU A 30 19.439 4.191 -6.224 1.00 0.00 O ATOM 400 CB LEU A 30 18.926 7.148 -6.606 1.00 0.00 C ATOM 401 CG LEU A 30 18.993 8.541 -5.925 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.612 9.216 -5.939 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.507 8.514 -4.475 1.00 0.00 C ATOM 0 H LEU A 30 20.709 7.394 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 30 20.817 6.370 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.476 7.273 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.251 6.519 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 30 19.715 9.107 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.679 10.191 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.279 9.342 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.897 8.594 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.522 9.528 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.848 7.894 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.515 8.101 -4.454 1.00 0.00 H new ATOM 415 N ASN A 31 20.618 4.263 -8.135 1.00 0.00 N ATOM 416 CA ASN A 31 20.740 2.781 -8.275 1.00 0.00 C ATOM 417 C ASN A 31 21.694 2.170 -7.202 1.00 0.00 C ATOM 418 O ASN A 31 22.885 2.496 -7.144 1.00 0.00 O ATOM 419 CB ASN A 31 21.140 2.385 -9.723 1.00 0.00 C ATOM 420 CG ASN A 31 22.441 2.971 -10.295 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.523 4.156 -10.600 1.00 0.00 O ATOM 422 ND2 ASN A 31 23.495 2.208 -10.454 1.00 0.00 N ATOM 0 H ASN A 31 20.995 4.783 -8.927 1.00 0.00 H new ATOM 0 HA ASN A 31 19.757 2.349 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 31 21.216 1.298 -9.764 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.324 2.672 -10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 31 24.359 2.603 -10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.451 1.219 -10.207 1.00 0.00 H new ATOM 429 N GLY A 32 21.131 1.368 -6.292 1.00 0.00 N ATOM 430 CA GLY A 32 21.874 0.924 -5.082 1.00 0.00 C ATOM 431 C GLY A 32 22.062 1.990 -3.982 1.00 0.00 C ATOM 432 O GLY A 32 23.195 2.237 -3.572 1.00 0.00 O ATOM 0 H GLY A 32 20.178 1.011 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.351 0.071 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.858 0.571 -5.392 1.00 0.00 H new ATOM 436 N VAL A 33 20.968 2.605 -3.505 1.00 0.00 N ATOM 437 CA VAL A 33 20.989 3.522 -2.318 1.00 0.00 C ATOM 438 C VAL A 33 20.457 2.871 -0.994 1.00 0.00 C ATOM 439 O VAL A 33 21.013 3.154 0.068 1.00 0.00 O ATOM 440 CB VAL A 33 20.346 4.906 -2.663 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.810 4.878 -2.804 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.734 6.015 -1.658 1.00 0.00 C ATOM 0 H VAL A 33 20.042 2.492 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 33 22.037 3.716 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 33 20.765 5.139 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.448 5.878 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.530 4.190 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.365 4.546 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.259 6.952 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.401 5.734 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.817 6.143 -1.657 1.00 0.00 H new ATOM 452 N VAL A 34 19.405 2.024 -1.027 1.00 0.00 N ATOM 453 CA VAL A 34 18.817 1.372 0.187 1.00 0.00 C ATOM 454 C VAL A 34 19.842 0.359 0.805 1.00 0.00 C ATOM 455 O VAL A 34 20.129 -0.683 0.211 1.00 0.00 O ATOM 456 CB VAL A 34 17.427 0.701 -0.123 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.720 0.243 1.178 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.423 1.610 -0.873 1.00 0.00 C ATOM 0 H VAL A 34 18.931 1.766 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 34 18.619 2.144 0.930 1.00 0.00 H new ATOM 0 HB VAL A 34 17.686 -0.138 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.763 -0.216 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.347 -0.482 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.552 1.105 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.495 1.064 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.218 2.497 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 34 16.849 1.909 -1.831 1.00 0.00 H new ATOM 468 N GLY A 35 20.432 0.711 1.958 1.00 0.00 N ATOM 469 CA GLY A 35 21.659 0.033 2.464 1.00 0.00 C ATOM 470 C GLY A 35 23.038 0.689 2.190 1.00 0.00 C ATOM 471 O GLY A 35 23.997 0.309 2.865 1.00 0.00 O ATOM 0 H GLY A 35 20.089 1.457 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.554 -0.078 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.680 -0.971 2.041 1.00 0.00 H new ATOM 475 N ARG A 36 23.184 1.639 1.242 1.00 0.00 N ATOM 476 CA ARG A 36 24.496 2.279 0.935 1.00 0.00 C ATOM 477 C ARG A 36 24.979 3.255 2.055 1.00 0.00 C ATOM 478 O ARG A 36 24.198 4.026 2.621 1.00 0.00 O ATOM 479 CB ARG A 36 24.393 2.994 -0.443 1.00 0.00 C ATOM 480 CG ARG A 36 25.729 3.570 -0.996 1.00 0.00 C ATOM 481 CD ARG A 36 25.678 4.107 -2.438 1.00 0.00 C ATOM 482 NE ARG A 36 24.948 5.406 -2.542 1.00 0.00 N ATOM 483 CZ ARG A 36 24.323 5.846 -3.633 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.010 5.093 -4.653 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.995 7.101 -3.704 1.00 0.00 N ATOM 0 H ARG A 36 22.413 1.985 0.671 1.00 0.00 H new ATOM 0 HA ARG A 36 25.255 1.498 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 36 23.992 2.288 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.673 3.808 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.055 4.376 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.489 2.790 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.694 4.235 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.194 3.370 -3.079 1.00 0.00 H new ATOM 0 HE ARG A 36 24.926 6.002 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.245 4.100 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.531 5.497 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 36 24.217 7.730 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.516 7.457 -4.531 1.00 0.00 H new ATOM 499 N THR A 37 26.297 3.257 2.311 1.00 0.00 N ATOM 500 CA THR A 37 26.945 4.170 3.295 1.00 0.00 C ATOM 501 C THR A 37 26.736 5.690 2.976 1.00 0.00 C ATOM 502 O THR A 37 26.816 6.132 1.822 1.00 0.00 O ATOM 503 CB THR A 37 28.431 3.727 3.457 1.00 0.00 C ATOM 504 OG1 THR A 37 28.490 2.361 3.871 1.00 0.00 O ATOM 505 CG2 THR A 37 29.242 4.509 4.503 1.00 0.00 C ATOM 0 H THR A 37 26.953 2.629 1.847 1.00 0.00 H new ATOM 0 HA THR A 37 26.454 4.077 4.264 1.00 0.00 H new ATOM 0 HB THR A 37 28.867 3.912 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 37 27.747 2.172 4.481 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.261 4.123 4.537 1.00 0.00 H new ATOM 0 HG22 THR A 37 29.263 5.565 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.778 4.395 5.483 1.00 0.00 H new ATOM 513 N VAL A 38 26.431 6.474 4.026 1.00 0.00 N ATOM 514 CA VAL A 38 26.112 7.929 3.903 1.00 0.00 C ATOM 515 C VAL A 38 27.368 8.746 3.442 1.00 0.00 C ATOM 516 O VAL A 38 28.450 8.638 4.026 1.00 0.00 O ATOM 517 CB VAL A 38 25.481 8.463 5.234 1.00 0.00 C ATOM 518 CG1 VAL A 38 25.178 9.978 5.221 1.00 0.00 C ATOM 519 CG2 VAL A 38 24.157 7.766 5.634 1.00 0.00 C ATOM 0 H VAL A 38 26.396 6.129 4.985 1.00 0.00 H new ATOM 0 HA VAL A 38 25.363 8.065 3.123 1.00 0.00 H new ATOM 0 HB VAL A 38 26.263 8.234 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.743 10.270 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 38 26.102 10.532 5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.474 10.201 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.787 8.194 6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.416 7.913 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.334 6.699 5.770 1.00 0.00 H new ATOM 529 N ALA A 39 27.207 9.533 2.357 1.00 0.00 N ATOM 530 CA ALA A 39 28.341 10.148 1.603 1.00 0.00 C ATOM 531 C ALA A 39 29.399 9.155 0.990 1.00 0.00 C ATOM 532 O ALA A 39 30.601 9.433 0.980 1.00 0.00 O ATOM 533 CB ALA A 39 28.928 11.318 2.424 1.00 0.00 C ATOM 0 H ALA A 39 26.291 9.765 1.972 1.00 0.00 H new ATOM 0 HA ALA A 39 27.924 10.554 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.756 11.768 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.155 12.067 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.288 10.945 3.383 1.00 0.00 H new ATOM 539 N GLY A 40 28.941 8.013 0.439 1.00 0.00 N ATOM 540 CA GLY A 40 29.839 6.910 -0.011 1.00 0.00 C ATOM 541 C GLY A 40 30.132 6.739 -1.519 1.00 0.00 C ATOM 542 O GLY A 40 30.834 5.792 -1.878 1.00 0.00 O ATOM 0 H GLY A 40 27.950 7.822 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.795 7.039 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.412 5.973 0.348 1.00 0.00 H new ATOM 546 N VAL A 41 29.640 7.625 -2.401 1.00 0.00 N ATOM 547 CA VAL A 41 29.993 7.609 -3.852 1.00 0.00 C ATOM 548 C VAL A 41 31.332 8.398 -4.043 1.00 0.00 C ATOM 549 O VAL A 41 31.349 9.635 -4.032 1.00 0.00 O ATOM 550 CB VAL A 41 28.800 8.147 -4.714 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.127 8.271 -6.220 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.521 7.285 -4.605 1.00 0.00 C ATOM 0 H VAL A 41 28.992 8.370 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 41 30.162 6.592 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 41 28.625 9.135 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.254 8.649 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.961 8.959 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.397 7.292 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.737 7.717 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.736 6.271 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 41 27.187 7.259 -3.568 1.00 0.00 H new ATOM 562 N ASP A 42 32.445 7.667 -4.249 1.00 0.00 N ATOM 563 CA ASP A 42 33.789 8.270 -4.487 1.00 0.00 C ATOM 564 C ASP A 42 33.893 8.909 -5.914 1.00 0.00 C ATOM 565 O ASP A 42 34.346 8.275 -6.873 1.00 0.00 O ATOM 566 CB ASP A 42 34.818 7.137 -4.213 1.00 0.00 C ATOM 567 CG ASP A 42 36.292 7.535 -4.306 1.00 0.00 C ATOM 568 OD1 ASP A 42 36.682 7.768 -5.596 1.00 0.00 O ATOM 569 OD2 ASP A 42 37.031 7.619 -3.330 1.00 0.00 O ATOM 0 H ASP A 42 32.448 6.647 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 42 33.989 9.110 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.632 6.737 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.635 6.328 -4.920 1.00 0.00 H new ATOM 574 N GLY A 43 33.465 10.170 -6.014 1.00 0.00 N ATOM 575 CA GLY A 43 33.050 10.770 -7.307 1.00 0.00 C ATOM 576 C GLY A 43 32.184 12.042 -7.164 1.00 0.00 C ATOM 577 O GLY A 43 32.454 13.030 -7.850 1.00 0.00 O ATOM 0 H GLY A 43 33.393 10.805 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.942 11.014 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.493 10.027 -7.878 1.00 0.00 H new ATOM 581 N PHE A 44 31.151 12.031 -6.297 1.00 0.00 N ATOM 582 CA PHE A 44 30.335 13.242 -6.015 1.00 0.00 C ATOM 583 C PHE A 44 30.965 14.131 -4.888 1.00 0.00 C ATOM 584 O PHE A 44 31.390 13.645 -3.834 1.00 0.00 O ATOM 585 CB PHE A 44 28.874 12.808 -5.690 1.00 0.00 C ATOM 586 CG PHE A 44 27.878 13.984 -5.664 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.409 14.535 -6.861 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.572 14.614 -4.454 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.675 15.718 -6.848 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.844 15.801 -4.443 1.00 0.00 C ATOM 591 CZ PHE A 44 26.398 16.352 -5.641 1.00 0.00 C ATOM 0 H PHE A 44 30.858 11.203 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 44 30.319 13.874 -6.903 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.546 12.080 -6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.858 12.307 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.617 14.041 -7.799 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.902 14.178 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.321 16.144 -7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.626 16.293 -3.507 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.836 17.274 -5.633 1.00 0.00 H new ATOM 601 N ASN A 45 30.946 15.458 -5.097 1.00 0.00 N ATOM 602 CA ASN A 45 31.338 16.462 -4.078 1.00 0.00 C ATOM 603 C ASN A 45 30.235 16.697 -2.985 1.00 0.00 C ATOM 604 O ASN A 45 29.403 17.604 -3.075 1.00 0.00 O ATOM 605 CB ASN A 45 31.817 17.729 -4.844 1.00 0.00 C ATOM 606 CG ASN A 45 30.848 18.461 -5.790 1.00 0.00 C ATOM 607 OD1 ASN A 45 30.095 19.344 -5.400 1.00 0.00 O ATOM 608 ND2 ASN A 45 30.853 18.150 -7.064 1.00 0.00 N ATOM 0 H ASN A 45 30.657 15.873 -5.983 1.00 0.00 H new ATOM 0 HA ASN A 45 32.167 16.101 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 45 32.153 18.451 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 45 32.691 17.444 -5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.236 18.641 -7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 45 31.474 17.417 -7.408 1.00 0.00 H new ATOM 615 N TYR A 46 30.244 15.856 -1.936 1.00 0.00 N ATOM 616 CA TYR A 46 29.271 15.946 -0.810 1.00 0.00 C ATOM 617 C TYR A 46 29.614 17.097 0.197 1.00 0.00 C ATOM 618 O TYR A 46 30.785 17.337 0.513 1.00 0.00 O ATOM 619 CB TYR A 46 29.219 14.579 -0.067 1.00 0.00 C ATOM 620 CG TYR A 46 28.622 13.383 -0.833 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.235 13.237 -0.953 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.461 12.399 -1.365 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.698 12.108 -1.569 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.921 11.276 -1.986 1.00 0.00 C ATOM 625 CZ TYR A 46 27.540 11.119 -2.071 1.00 0.00 C ATOM 626 OH TYR A 46 27.035 9.962 -2.613 1.00 0.00 O ATOM 0 H TYR A 46 30.917 15.096 -1.836 1.00 0.00 H new ATOM 0 HA TYR A 46 28.295 16.184 -1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.235 14.317 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.644 14.714 0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.578 14.002 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.533 12.511 -1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.627 12.000 -1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.575 10.525 -2.403 1.00 0.00 H new ATOM 0 HH TYR A 46 26.337 9.603 -2.026 1.00 0.00 H new ATOM 636 N SER A 47 28.588 17.783 0.741 1.00 0.00 N ATOM 637 CA SER A 47 28.789 18.843 1.771 1.00 0.00 C ATOM 638 C SER A 47 29.255 18.304 3.167 1.00 0.00 C ATOM 639 O SER A 47 29.034 17.138 3.511 1.00 0.00 O ATOM 640 CB SER A 47 27.507 19.718 1.850 1.00 0.00 C ATOM 641 OG SER A 47 26.417 19.066 2.513 1.00 0.00 O ATOM 0 H SER A 47 27.612 17.628 0.490 1.00 0.00 H new ATOM 0 HA SER A 47 29.626 19.464 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.740 20.645 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 47 27.199 19.991 0.841 1.00 0.00 H new ATOM 0 HG SER A 47 25.710 19.719 2.699 1.00 0.00 H new ATOM 647 N ASP A 48 29.890 19.167 3.986 1.00 0.00 N ATOM 648 CA ASP A 48 30.387 18.790 5.344 1.00 0.00 C ATOM 649 C ASP A 48 29.333 18.150 6.328 1.00 0.00 C ATOM 650 O ASP A 48 29.658 17.082 6.855 1.00 0.00 O ATOM 651 CB ASP A 48 31.131 20.009 5.954 1.00 0.00 C ATOM 652 CG ASP A 48 32.182 19.634 6.996 1.00 0.00 C ATOM 653 OD1 ASP A 48 31.658 19.531 8.248 1.00 0.00 O ATOM 654 OD2 ASP A 48 33.364 19.440 6.734 1.00 0.00 O ATOM 0 H ASP A 48 30.076 20.138 3.737 1.00 0.00 H new ATOM 0 HA ASP A 48 31.075 17.957 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.613 20.567 5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.401 20.676 6.412 1.00 0.00 H new ATOM 659 N PRO A 49 28.093 18.676 6.581 1.00 0.00 N ATOM 660 CA PRO A 49 27.055 17.939 7.356 1.00 0.00 C ATOM 661 C PRO A 49 26.453 16.649 6.699 1.00 0.00 C ATOM 662 O PRO A 49 26.076 15.736 7.434 1.00 0.00 O ATOM 663 CB PRO A 49 26.036 19.045 7.675 1.00 0.00 C ATOM 664 CG PRO A 49 26.191 20.088 6.570 1.00 0.00 C ATOM 665 CD PRO A 49 27.629 19.979 6.066 1.00 0.00 C ATOM 0 HA PRO A 49 27.479 17.466 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.022 18.647 7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.228 19.482 8.655 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.482 19.905 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.989 21.089 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.674 20.016 4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.245 20.797 6.439 1.00 0.00 H new ATOM 673 N MET A 50 26.403 16.527 5.357 1.00 0.00 N ATOM 674 CA MET A 50 26.196 15.215 4.668 1.00 0.00 C ATOM 675 C MET A 50 27.331 14.160 4.919 1.00 0.00 C ATOM 676 O MET A 50 27.029 13.017 5.271 1.00 0.00 O ATOM 677 CB MET A 50 25.917 15.523 3.171 1.00 0.00 C ATOM 678 CG MET A 50 25.641 14.305 2.262 1.00 0.00 C ATOM 679 SD MET A 50 24.380 13.212 2.950 1.00 0.00 S ATOM 680 CE MET A 50 22.884 14.065 2.430 1.00 0.00 C ATOM 0 H MET A 50 26.502 17.316 4.719 1.00 0.00 H new ATOM 0 HA MET A 50 25.335 14.706 5.101 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.060 16.194 3.114 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.773 16.064 2.768 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.321 14.652 1.279 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.565 13.745 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.059 13.783 3.084 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.041 15.142 2.487 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.645 13.787 1.403 1.00 0.00 H new ATOM 690 N LYS A 51 28.614 14.547 4.795 1.00 0.00 N ATOM 691 CA LYS A 51 29.776 13.731 5.264 1.00 0.00 C ATOM 692 C LYS A 51 29.781 13.369 6.789 1.00 0.00 C ATOM 693 O LYS A 51 29.973 12.201 7.134 1.00 0.00 O ATOM 694 CB LYS A 51 31.088 14.438 4.816 1.00 0.00 C ATOM 695 CG LYS A 51 31.331 14.499 3.285 1.00 0.00 C ATOM 696 CD LYS A 51 32.512 15.393 2.857 1.00 0.00 C ATOM 697 CE LYS A 51 33.899 14.832 3.215 1.00 0.00 C ATOM 698 NZ LYS A 51 34.948 15.745 2.721 1.00 0.00 N ATOM 0 H LYS A 51 28.886 15.433 4.368 1.00 0.00 H new ATOM 0 HA LYS A 51 29.688 12.753 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.081 15.456 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 51 31.931 13.926 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.506 13.488 2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.424 14.861 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.463 15.546 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.398 16.372 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 51 33.986 14.713 4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 51 34.027 13.843 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 35.884 15.363 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.870 15.837 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.830 16.680 3.162 1.00 0.00 H new ATOM 711 N ALA A 52 29.531 14.337 7.689 1.00 0.00 N ATOM 712 CA ALA A 52 29.354 14.073 9.143 1.00 0.00 C ATOM 713 C ALA A 52 28.069 13.314 9.625 1.00 0.00 C ATOM 714 O ALA A 52 28.082 12.804 10.748 1.00 0.00 O ATOM 715 CB ALA A 52 29.450 15.450 9.817 1.00 0.00 C ATOM 0 H ALA A 52 29.445 15.322 7.439 1.00 0.00 H new ATOM 0 HA ALA A 52 30.127 13.358 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.329 15.337 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.424 15.891 9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 52 28.665 16.100 9.430 1.00 0.00 H new ATOM 721 N HIS A 53 26.987 13.213 8.822 1.00 0.00 N ATOM 722 CA HIS A 53 25.763 12.430 9.178 1.00 0.00 C ATOM 723 C HIS A 53 26.023 10.907 9.463 1.00 0.00 C ATOM 724 O HIS A 53 25.639 10.419 10.529 1.00 0.00 O ATOM 725 CB HIS A 53 24.692 12.737 8.086 1.00 0.00 C ATOM 726 CG HIS A 53 23.313 12.065 8.192 1.00 0.00 C ATOM 727 ND1 HIS A 53 22.621 11.829 9.374 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.556 11.624 7.089 1.00 0.00 C ATOM 729 CE1 HIS A 53 21.507 11.210 8.862 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.368 11.057 7.510 1.00 0.00 N ATOM 0 H HIS A 53 26.928 13.667 7.910 1.00 0.00 H new ATOM 0 HA HIS A 53 25.382 12.750 10.148 1.00 0.00 H new ATOM 0 HB2 HIS A 53 24.534 13.815 8.073 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.118 12.466 7.120 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.862 11.716 6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.740 10.844 9.528 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.608 10.644 6.969 1.00 0.00 H new ATOM 738 N GLY A 54 26.711 10.183 8.558 1.00 0.00 N ATOM 739 CA GLY A 54 27.264 8.840 8.880 1.00 0.00 C ATOM 740 C GLY A 54 26.285 7.642 8.891 1.00 0.00 C ATOM 741 O GLY A 54 25.061 7.777 8.804 1.00 0.00 O ATOM 0 H GLY A 54 26.899 10.496 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.053 8.621 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 54 27.734 8.898 9.862 1.00 0.00 H new ATOM 745 N GLY A 55 26.863 6.437 8.992 1.00 0.00 N ATOM 746 CA GLY A 55 26.081 5.174 8.927 1.00 0.00 C ATOM 747 C GLY A 55 25.682 4.736 7.499 1.00 0.00 C ATOM 748 O GLY A 55 26.453 4.889 6.548 1.00 0.00 O ATOM 0 H GLY A 55 27.866 6.300 9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.665 4.377 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.176 5.292 9.523 1.00 0.00 H new ATOM 752 N ASP A 56 24.476 4.171 7.361 1.00 0.00 N ATOM 753 CA ASP A 56 23.943 3.699 6.048 1.00 0.00 C ATOM 754 C ASP A 56 22.505 4.241 5.779 1.00 0.00 C ATOM 755 O ASP A 56 21.721 4.491 6.704 1.00 0.00 O ATOM 756 CB ASP A 56 23.965 2.147 5.975 1.00 0.00 C ATOM 757 CG ASP A 56 25.338 1.464 6.062 1.00 0.00 C ATOM 758 OD1 ASP A 56 26.314 1.769 5.380 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.353 0.466 6.988 1.00 0.00 O ATOM 0 H ASP A 56 23.836 4.023 8.141 1.00 0.00 H new ATOM 0 HA ASP A 56 24.594 4.095 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.343 1.761 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.495 1.845 5.039 1.00 0.00 H new ATOM 764 N TRP A 57 22.128 4.358 4.490 1.00 0.00 N ATOM 765 CA TRP A 57 20.750 4.753 4.079 1.00 0.00 C ATOM 766 C TRP A 57 19.713 3.594 4.229 1.00 0.00 C ATOM 767 O TRP A 57 19.267 2.964 3.266 1.00 0.00 O ATOM 768 CB TRP A 57 20.796 5.341 2.641 1.00 0.00 C ATOM 769 CG TRP A 57 21.367 6.758 2.533 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.573 7.110 1.897 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.872 7.931 3.080 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.844 8.484 2.032 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.786 8.968 2.779 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.733 8.190 3.888 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.578 10.270 3.288 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.549 9.481 4.381 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.457 10.506 4.084 1.00 0.00 C ATOM 0 H TRP A 57 22.757 4.185 3.706 1.00 0.00 H new ATOM 0 HA TRP A 57 20.393 5.526 4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.392 4.678 2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.785 5.342 2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.210 6.413 1.372 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.640 9.004 1.663 1.00 0.00 H new ATOM 0 HE3 TRP A 57 19.026 7.406 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 22.273 11.066 3.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.692 9.695 5.002 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.286 11.497 4.478 1.00 0.00 H new ATOM 788 N THR A 58 19.312 3.359 5.483 1.00 0.00 N ATOM 789 CA THR A 58 18.272 2.364 5.859 1.00 0.00 C ATOM 790 C THR A 58 16.817 2.842 5.498 1.00 0.00 C ATOM 791 O THR A 58 16.598 4.054 5.362 1.00 0.00 O ATOM 792 CB THR A 58 18.409 2.055 7.389 1.00 0.00 C ATOM 793 OG1 THR A 58 18.194 3.219 8.183 1.00 0.00 O ATOM 794 CG2 THR A 58 19.753 1.442 7.826 1.00 0.00 C ATOM 0 H THR A 58 19.699 3.856 6.285 1.00 0.00 H new ATOM 0 HA THR A 58 18.434 1.455 5.280 1.00 0.00 H new ATOM 0 HB THR A 58 17.636 1.304 7.554 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.285 2.990 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.741 1.268 8.902 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.907 0.496 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.563 2.128 7.578 1.00 0.00 H new ATOM 802 N PRO A 59 15.770 1.968 5.377 1.00 0.00 N ATOM 803 CA PRO A 59 14.366 2.431 5.162 1.00 0.00 C ATOM 804 C PRO A 59 13.746 3.386 6.241 1.00 0.00 C ATOM 805 O PRO A 59 12.933 4.239 5.883 1.00 0.00 O ATOM 806 CB PRO A 59 13.607 1.107 4.941 1.00 0.00 C ATOM 807 CG PRO A 59 14.453 0.023 5.611 1.00 0.00 C ATOM 808 CD PRO A 59 15.899 0.499 5.464 1.00 0.00 C ATOM 0 HA PRO A 59 14.302 3.117 4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.610 1.151 5.379 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.480 0.902 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.182 -0.097 6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.306 -0.945 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.509 0.199 6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.370 0.084 4.573 1.00 0.00 H new ATOM 816 N GLU A 60 14.164 3.308 7.521 1.00 0.00 N ATOM 817 CA GLU A 60 13.911 4.379 8.529 1.00 0.00 C ATOM 818 C GLU A 60 14.649 5.734 8.232 1.00 0.00 C ATOM 819 O GLU A 60 13.973 6.764 8.146 1.00 0.00 O ATOM 820 CB GLU A 60 14.183 3.796 9.941 1.00 0.00 C ATOM 821 CG GLU A 60 13.581 4.607 11.120 1.00 0.00 C ATOM 822 CD GLU A 60 14.342 5.865 11.565 1.00 0.00 C ATOM 823 OE1 GLU A 60 15.548 6.032 11.407 1.00 0.00 O ATOM 824 OE2 GLU A 60 13.517 6.774 12.166 1.00 0.00 O ATOM 0 H GLU A 60 14.683 2.511 7.891 1.00 0.00 H new ATOM 0 HA GLU A 60 12.864 4.676 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.787 2.781 9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.261 3.723 10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.569 4.904 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.495 3.942 11.979 1.00 0.00 H new ATOM 831 N ALA A 61 15.990 5.753 8.051 1.00 0.00 N ATOM 832 CA ALA A 61 16.739 6.988 7.672 1.00 0.00 C ATOM 833 C ALA A 61 16.327 7.669 6.322 1.00 0.00 C ATOM 834 O ALA A 61 16.188 8.895 6.281 1.00 0.00 O ATOM 835 CB ALA A 61 18.243 6.658 7.726 1.00 0.00 C ATOM 0 H ALA A 61 16.582 4.929 8.160 1.00 0.00 H new ATOM 0 HA ALA A 61 16.471 7.756 8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.819 7.542 7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.511 6.347 8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.464 5.851 7.027 1.00 0.00 H new ATOM 841 N LEU A 62 16.060 6.891 5.254 1.00 0.00 N ATOM 842 CA LEU A 62 15.352 7.386 4.037 1.00 0.00 C ATOM 843 C LEU A 62 13.909 7.946 4.281 1.00 0.00 C ATOM 844 O LEU A 62 13.612 9.026 3.772 1.00 0.00 O ATOM 845 CB LEU A 62 15.357 6.275 2.948 1.00 0.00 C ATOM 846 CG LEU A 62 16.726 5.928 2.304 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.622 4.623 1.502 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.240 7.046 1.376 1.00 0.00 C ATOM 0 H LEU A 62 16.323 5.907 5.202 1.00 0.00 H new ATOM 0 HA LEU A 62 15.912 8.256 3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.950 5.365 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.675 6.576 2.153 1.00 0.00 H new ATOM 0 HG LEU A 62 17.437 5.814 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.589 4.392 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.325 3.811 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.878 4.738 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.200 6.754 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.522 7.210 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.361 7.966 1.948 1.00 0.00 H new ATOM 860 N GLN A 63 13.027 7.295 5.072 1.00 0.00 N ATOM 861 CA GLN A 63 11.735 7.911 5.515 1.00 0.00 C ATOM 862 C GLN A 63 11.848 9.261 6.304 1.00 0.00 C ATOM 863 O GLN A 63 11.071 10.179 6.023 1.00 0.00 O ATOM 864 CB GLN A 63 10.885 6.880 6.307 1.00 0.00 C ATOM 865 CG GLN A 63 10.185 5.811 5.432 1.00 0.00 C ATOM 866 CD GLN A 63 9.438 4.750 6.239 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.273 4.903 6.585 1.00 0.00 O ATOM 868 NE2 GLN A 63 10.079 3.656 6.570 1.00 0.00 N ATOM 0 H GLN A 63 13.176 6.348 5.420 1.00 0.00 H new ATOM 0 HA GLN A 63 11.234 8.187 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.529 6.376 7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.127 7.416 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.483 6.306 4.761 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.931 5.321 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.049 3.527 6.283 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.608 2.934 7.115 1.00 0.00 H new ATOM 877 N GLU A 64 12.794 9.409 7.254 1.00 0.00 N ATOM 878 CA GLU A 64 13.112 10.733 7.876 1.00 0.00 C ATOM 879 C GLU A 64 13.679 11.795 6.873 1.00 0.00 C ATOM 880 O GLU A 64 13.098 12.876 6.742 1.00 0.00 O ATOM 881 CB GLU A 64 14.030 10.565 9.126 1.00 0.00 C ATOM 882 CG GLU A 64 13.627 9.563 10.242 1.00 0.00 C ATOM 883 CD GLU A 64 12.212 9.676 10.807 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.279 9.223 9.920 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.956 10.102 11.929 1.00 0.00 O ATOM 0 H GLU A 64 13.355 8.637 7.614 1.00 0.00 H new ATOM 0 HA GLU A 64 12.156 11.140 8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.018 10.276 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.133 11.546 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.755 8.554 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.330 9.677 11.067 1.00 0.00 H new ATOM 892 N PHE A 65 14.776 11.493 6.150 1.00 0.00 N ATOM 893 CA PHE A 65 15.362 12.408 5.127 1.00 0.00 C ATOM 894 C PHE A 65 14.435 12.783 3.922 1.00 0.00 C ATOM 895 O PHE A 65 14.392 13.951 3.538 1.00 0.00 O ATOM 896 CB PHE A 65 16.707 11.771 4.688 1.00 0.00 C ATOM 897 CG PHE A 65 17.607 12.658 3.814 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.375 13.668 4.403 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.691 12.445 2.433 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.221 14.448 3.621 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.539 13.229 1.654 1.00 0.00 C ATOM 902 CZ PHE A 65 19.304 14.227 2.250 1.00 0.00 C ATOM 0 H PHE A 65 15.285 10.615 6.251 1.00 0.00 H new ATOM 0 HA PHE A 65 15.509 13.386 5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.263 11.488 5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.492 10.852 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.311 13.843 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.097 11.671 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.814 15.226 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.603 13.062 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.964 14.832 1.646 1.00 0.00 H new ATOM 912 N LEU A 66 13.678 11.837 3.341 1.00 0.00 N ATOM 913 CA LEU A 66 12.636 12.160 2.324 1.00 0.00 C ATOM 914 C LEU A 66 11.324 12.821 2.875 1.00 0.00 C ATOM 915 O LEU A 66 10.610 13.435 2.084 1.00 0.00 O ATOM 916 CB LEU A 66 12.347 10.912 1.441 1.00 0.00 C ATOM 917 CG LEU A 66 13.551 10.243 0.718 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.089 8.990 -0.042 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.287 11.202 -0.232 1.00 0.00 C ATOM 0 H LEU A 66 13.760 10.842 3.551 1.00 0.00 H new ATOM 0 HA LEU A 66 13.064 12.951 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.873 10.159 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.618 11.199 0.683 1.00 0.00 H new ATOM 0 HG LEU A 66 14.263 9.958 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.942 8.533 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.656 8.278 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.340 9.269 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.117 10.678 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.597 11.557 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.670 12.051 0.333 1.00 0.00 H new ATOM 931 N THR A 67 11.017 12.782 4.192 1.00 0.00 N ATOM 932 CA THR A 67 10.021 13.701 4.824 1.00 0.00 C ATOM 933 C THR A 67 10.462 15.209 4.767 1.00 0.00 C ATOM 934 O THR A 67 9.698 16.031 4.258 1.00 0.00 O ATOM 935 CB THR A 67 9.690 13.209 6.269 1.00 0.00 C ATOM 936 OG1 THR A 67 9.228 11.862 6.266 1.00 0.00 O ATOM 937 CG2 THR A 67 8.577 14.002 6.963 1.00 0.00 C ATOM 0 H THR A 67 11.442 12.125 4.846 1.00 0.00 H new ATOM 0 HA THR A 67 9.101 13.664 4.240 1.00 0.00 H new ATOM 0 HB THR A 67 10.632 13.337 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.900 11.287 5.844 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.409 13.597 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.871 15.049 7.041 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.658 13.925 6.381 1.00 0.00 H new ATOM 945 N ASN A 68 11.664 15.572 5.263 1.00 0.00 N ATOM 946 CA ASN A 68 12.274 16.910 5.019 1.00 0.00 C ATOM 947 C ASN A 68 13.842 16.762 5.026 1.00 0.00 C ATOM 948 O ASN A 68 14.391 16.449 6.092 1.00 0.00 O ATOM 949 CB ASN A 68 11.750 17.943 6.054 1.00 0.00 C ATOM 950 CG ASN A 68 12.177 19.398 5.789 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.344 19.721 5.586 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.264 20.336 5.812 1.00 0.00 N ATOM 0 H ASN A 68 12.239 14.958 5.839 1.00 0.00 H new ATOM 0 HA ASN A 68 11.982 17.293 4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.661 17.897 6.073 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.099 17.652 7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.529 21.310 5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.287 20.093 5.979 1.00 0.00 H new ATOM 959 N PRO A 69 14.609 16.994 3.917 1.00 0.00 N ATOM 960 CA PRO A 69 16.082 16.761 3.906 1.00 0.00 C ATOM 961 C PRO A 69 16.962 17.800 4.663 1.00 0.00 C ATOM 962 O PRO A 69 17.842 17.399 5.428 1.00 0.00 O ATOM 963 CB PRO A 69 16.375 16.642 2.401 1.00 0.00 C ATOM 964 CG PRO A 69 15.301 17.476 1.704 1.00 0.00 C ATOM 965 CD PRO A 69 14.059 17.309 2.581 1.00 0.00 C ATOM 0 HA PRO A 69 16.357 15.877 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.373 17.013 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.336 15.602 2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.597 18.522 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.121 17.123 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.458 18.218 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.415 16.509 2.215 1.00 0.00 H new ATOM 973 N LYS A 70 16.715 19.108 4.475 1.00 0.00 N ATOM 974 CA LYS A 70 17.393 20.191 5.252 1.00 0.00 C ATOM 975 C LYS A 70 17.073 20.257 6.785 1.00 0.00 C ATOM 976 O LYS A 70 17.972 20.595 7.557 1.00 0.00 O ATOM 977 CB LYS A 70 17.172 21.562 4.559 1.00 0.00 C ATOM 978 CG LYS A 70 17.947 21.755 3.233 1.00 0.00 C ATOM 979 CD LYS A 70 17.774 23.176 2.658 1.00 0.00 C ATOM 980 CE LYS A 70 18.533 23.438 1.345 1.00 0.00 C ATOM 981 NZ LYS A 70 19.988 23.582 1.559 1.00 0.00 N ATOM 0 H LYS A 70 16.046 19.455 3.788 1.00 0.00 H new ATOM 0 HA LYS A 70 18.450 19.925 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.107 21.685 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.462 22.353 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.006 21.560 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.600 21.024 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.712 23.358 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.107 23.898 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.349 22.617 0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.145 24.343 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.389 24.194 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.161 24.007 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.439 22.646 1.516 1.00 0.00 H new ATOM 994 N ALA A 71 15.855 19.912 7.252 1.00 0.00 N ATOM 995 CA ALA A 71 15.600 19.657 8.700 1.00 0.00 C ATOM 996 C ALA A 71 16.394 18.471 9.345 1.00 0.00 C ATOM 997 O ALA A 71 16.874 18.607 10.473 1.00 0.00 O ATOM 998 CB ALA A 71 14.084 19.468 8.876 1.00 0.00 C ATOM 0 H ALA A 71 15.033 19.802 6.658 1.00 0.00 H new ATOM 0 HA ALA A 71 15.976 20.524 9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.860 19.279 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.565 20.370 8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.751 18.621 8.276 1.00 0.00 H new ATOM 1004 N VAL A 72 16.550 17.332 8.639 1.00 0.00 N ATOM 1005 CA VAL A 72 17.439 16.213 9.078 1.00 0.00 C ATOM 1006 C VAL A 72 18.961 16.576 8.934 1.00 0.00 C ATOM 1007 O VAL A 72 19.687 16.525 9.930 1.00 0.00 O ATOM 1008 CB VAL A 72 17.006 14.874 8.376 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.944 13.671 8.648 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.586 14.415 8.784 1.00 0.00 C ATOM 0 H VAL A 72 16.072 17.153 7.756 1.00 0.00 H new ATOM 0 HA VAL A 72 17.312 16.048 10.148 1.00 0.00 H new ATOM 0 HB VAL A 72 17.050 15.138 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.569 12.791 8.125 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.947 13.904 8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.977 13.470 9.719 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.342 13.486 8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.552 14.252 9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.863 15.183 8.510 1.00 0.00 H new ATOM 1020 N VAL A 73 19.447 16.923 7.725 1.00 0.00 N ATOM 1021 CA VAL A 73 20.863 17.337 7.501 1.00 0.00 C ATOM 1022 C VAL A 73 20.874 18.876 7.227 1.00 0.00 C ATOM 1023 O VAL A 73 20.665 19.318 6.091 1.00 0.00 O ATOM 1024 CB VAL A 73 21.522 16.504 6.346 1.00 0.00 C ATOM 1025 CG1 VAL A 73 22.995 16.898 6.100 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.513 14.974 6.571 1.00 0.00 C ATOM 0 H VAL A 73 18.880 16.927 6.877 1.00 0.00 H new ATOM 0 HA VAL A 73 21.468 17.133 8.384 1.00 0.00 H new ATOM 0 HB VAL A 73 20.895 16.746 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.404 16.292 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.049 17.952 5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.573 16.729 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 73 21.988 14.479 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.060 14.737 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.484 14.626 6.664 1.00 0.00 H new ATOM 1036 N LYS A 74 21.170 19.696 8.253 1.00 0.00 N ATOM 1037 CA LYS A 74 21.220 21.180 8.104 1.00 0.00 C ATOM 1038 C LYS A 74 22.492 21.634 7.312 1.00 0.00 C ATOM 1039 O LYS A 74 23.605 21.643 7.845 1.00 0.00 O ATOM 1040 CB LYS A 74 21.080 21.805 9.520 1.00 0.00 C ATOM 1041 CG LYS A 74 20.957 23.349 9.589 1.00 0.00 C ATOM 1042 CD LYS A 74 19.766 23.994 8.841 1.00 0.00 C ATOM 1043 CE LYS A 74 18.381 23.609 9.388 1.00 0.00 C ATOM 1044 NZ LYS A 74 17.326 24.298 8.618 1.00 0.00 N ATOM 0 H LYS A 74 21.379 19.366 9.195 1.00 0.00 H new ATOM 0 HA LYS A 74 20.391 21.544 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.202 21.372 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 74 21.945 21.506 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.894 23.637 10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.878 23.780 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.871 25.078 8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.818 23.711 7.790 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.243 22.530 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.309 23.879 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.393 24.033 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.452 25.327 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.388 24.020 7.618 1.00 0.00 H new ATOM 1057 N GLY A 75 22.311 21.952 6.018 1.00 0.00 N ATOM 1058 CA GLY A 75 23.440 22.065 5.050 1.00 0.00 C ATOM 1059 C GLY A 75 23.655 20.919 4.022 1.00 0.00 C ATOM 1060 O GLY A 75 24.737 20.842 3.428 1.00 0.00 O ATOM 0 H GLY A 75 21.395 22.137 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.305 22.991 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.360 22.171 5.625 1.00 0.00 H new ATOM 1064 N THR A 76 22.646 20.075 3.735 1.00 0.00 N ATOM 1065 CA THR A 76 22.581 19.322 2.450 1.00 0.00 C ATOM 1066 C THR A 76 22.128 20.255 1.288 1.00 0.00 C ATOM 1067 O THR A 76 21.121 20.961 1.397 1.00 0.00 O ATOM 1068 CB THR A 76 21.705 18.036 2.539 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.828 17.273 1.341 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.196 18.218 2.783 1.00 0.00 C ATOM 0 H THR A 76 21.865 19.892 4.365 1.00 0.00 H new ATOM 0 HA THR A 76 23.591 18.974 2.234 1.00 0.00 H new ATOM 0 HB THR A 76 22.104 17.546 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 76 22.702 17.445 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.713 17.241 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.040 18.738 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.764 18.804 1.972 1.00 0.00 H new ATOM 1078 N LYS A 77 22.842 20.211 0.156 1.00 0.00 N ATOM 1079 CA LYS A 77 22.391 20.902 -1.093 1.00 0.00 C ATOM 1080 C LYS A 77 21.342 20.137 -1.984 1.00 0.00 C ATOM 1081 O LYS A 77 21.200 20.446 -3.170 1.00 0.00 O ATOM 1082 CB LYS A 77 23.632 21.483 -1.832 1.00 0.00 C ATOM 1083 CG LYS A 77 24.633 20.487 -2.459 1.00 0.00 C ATOM 1084 CD LYS A 77 25.853 21.182 -3.085 1.00 0.00 C ATOM 1085 CE LYS A 77 26.835 20.179 -3.710 1.00 0.00 C ATOM 1086 NZ LYS A 77 27.971 20.912 -4.300 1.00 0.00 N ATOM 0 H LYS A 77 23.728 19.714 0.063 1.00 0.00 H new ATOM 0 HA LYS A 77 21.761 21.739 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.272 22.139 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.180 22.107 -1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 77 24.972 19.789 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.124 19.900 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.517 21.883 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.368 21.765 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.192 19.481 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.332 19.588 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.678 20.234 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.633 21.497 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.403 21.522 -3.577 1.00 0.00 H new ATOM 1099 N MET A 78 20.506 19.243 -1.401 1.00 0.00 N ATOM 1100 CA MET A 78 19.221 18.810 -2.017 1.00 0.00 C ATOM 1101 C MET A 78 18.199 19.998 -2.011 1.00 0.00 C ATOM 1102 O MET A 78 17.575 20.287 -0.981 1.00 0.00 O ATOM 1103 CB MET A 78 18.599 17.599 -1.254 1.00 0.00 C ATOM 1104 CG MET A 78 19.334 16.253 -1.189 1.00 0.00 C ATOM 1105 SD MET A 78 18.400 14.769 -1.823 1.00 0.00 S ATOM 1106 CE MET A 78 16.742 14.926 -1.085 1.00 0.00 C ATOM 0 H MET A 78 20.698 18.804 -0.500 1.00 0.00 H new ATOM 0 HA MET A 78 19.433 18.502 -3.041 1.00 0.00 H new ATOM 0 HB2 MET A 78 18.428 17.921 -0.227 1.00 0.00 H new ATOM 0 HB3 MET A 78 17.621 17.409 -1.696 1.00 0.00 H new ATOM 0 HG2 MET A 78 20.261 16.342 -1.756 1.00 0.00 H new ATOM 0 HG3 MET A 78 19.612 16.065 -0.152 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.403 13.949 -0.740 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.783 15.614 -0.241 1.00 0.00 H new ATOM 0 HE3 MET A 78 16.046 15.309 -1.832 1.00 0.00 H new ATOM 1116 N ALA A 79 18.010 20.685 -3.155 1.00 0.00 N ATOM 1117 CA ALA A 79 16.989 21.767 -3.271 1.00 0.00 C ATOM 1118 C ALA A 79 15.539 21.196 -3.445 1.00 0.00 C ATOM 1119 O ALA A 79 14.946 21.191 -4.528 1.00 0.00 O ATOM 1120 CB ALA A 79 17.453 22.719 -4.391 1.00 0.00 C ATOM 0 H ALA A 79 18.541 20.519 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 79 16.915 22.341 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.729 23.526 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.426 23.138 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.533 22.167 -5.328 1.00 0.00 H new ATOM 1126 N PHE A 80 15.007 20.662 -2.334 1.00 0.00 N ATOM 1127 CA PHE A 80 13.794 19.812 -2.324 1.00 0.00 C ATOM 1128 C PHE A 80 13.103 19.970 -0.934 1.00 0.00 C ATOM 1129 O PHE A 80 13.707 19.694 0.108 1.00 0.00 O ATOM 1130 CB PHE A 80 14.218 18.339 -2.625 1.00 0.00 C ATOM 1131 CG PHE A 80 13.056 17.340 -2.746 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.199 17.391 -3.850 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.804 16.419 -1.723 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.086 16.558 -3.913 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.694 15.581 -1.792 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.830 15.658 -2.882 1.00 0.00 C ATOM 0 H PHE A 80 15.406 20.806 -1.407 1.00 0.00 H new ATOM 0 HA PHE A 80 13.077 20.109 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.789 18.324 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.887 18.001 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.402 18.080 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.473 16.358 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.421 16.610 -4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.503 14.871 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.961 15.019 -2.927 1.00 0.00 H new ATOM 1146 N ALA A 81 11.822 20.377 -0.918 1.00 0.00 N ATOM 1147 CA ALA A 81 11.044 20.512 0.344 1.00 0.00 C ATOM 1148 C ALA A 81 10.711 19.177 1.092 1.00 0.00 C ATOM 1149 O ALA A 81 10.948 19.089 2.301 1.00 0.00 O ATOM 1150 CB ALA A 81 9.790 21.344 0.008 1.00 0.00 C ATOM 0 H ALA A 81 11.297 20.620 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 81 11.672 21.016 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.186 21.470 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.092 22.322 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.205 20.829 -0.754 1.00 0.00 H new ATOM 1156 N GLY A 82 10.172 18.157 0.398 1.00 0.00 N ATOM 1157 CA GLY A 82 9.817 16.864 1.032 1.00 0.00 C ATOM 1158 C GLY A 82 8.718 16.051 0.316 1.00 0.00 C ATOM 1159 O GLY A 82 7.928 16.559 -0.485 1.00 0.00 O ATOM 0 H GLY A 82 9.971 18.199 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.716 16.251 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.493 17.058 2.054 1.00 0.00 H new ATOM 1163 N LEU A 83 8.635 14.771 0.691 1.00 0.00 N ATOM 1164 CA LEU A 83 7.470 13.899 0.393 1.00 0.00 C ATOM 1165 C LEU A 83 6.599 13.785 1.697 1.00 0.00 C ATOM 1166 O LEU A 83 6.915 12.930 2.537 1.00 0.00 O ATOM 1167 CB LEU A 83 7.961 12.504 -0.096 1.00 0.00 C ATOM 1168 CG LEU A 83 8.707 12.414 -1.452 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.193 10.974 -1.683 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.843 12.848 -2.648 1.00 0.00 C ATOM 0 H LEU A 83 9.373 14.298 1.213 1.00 0.00 H new ATOM 0 HA LEU A 83 6.862 14.324 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.619 12.097 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.092 11.848 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 83 9.548 13.104 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.717 10.915 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.870 10.685 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.337 10.299 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.423 12.762 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.964 12.207 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.529 13.883 -2.513 1.00 0.00 H new ATOM 1182 N PRO A 84 5.516 14.590 1.937 1.00 0.00 N ATOM 1183 CA PRO A 84 4.713 14.508 3.196 1.00 0.00 C ATOM 1184 C PRO A 84 3.839 13.225 3.410 1.00 0.00 C ATOM 1185 O PRO A 84 3.721 12.749 4.544 1.00 0.00 O ATOM 1186 CB PRO A 84 3.902 15.819 3.147 1.00 0.00 C ATOM 1187 CG PRO A 84 3.765 16.154 1.660 1.00 0.00 C ATOM 1188 CD PRO A 84 5.087 15.692 1.048 1.00 0.00 C ATOM 0 HA PRO A 84 5.359 14.406 4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.925 15.695 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.413 16.618 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.917 15.637 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.606 17.221 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.956 15.351 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.821 16.497 1.025 1.00 0.00 H new ATOM 1196 N LYS A 85 3.282 12.641 2.336 1.00 0.00 N ATOM 1197 CA LYS A 85 2.510 11.372 2.393 1.00 0.00 C ATOM 1198 C LYS A 85 3.421 10.112 2.579 1.00 0.00 C ATOM 1199 O LYS A 85 4.410 9.910 1.865 1.00 0.00 O ATOM 1200 CB LYS A 85 1.678 11.256 1.085 1.00 0.00 C ATOM 1201 CG LYS A 85 0.458 12.206 0.988 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.284 12.141 -0.363 1.00 0.00 C ATOM 1203 CE LYS A 85 0.429 12.895 -1.500 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.376 12.824 -2.735 1.00 0.00 N ATOM 0 H LYS A 85 3.350 13.031 1.396 1.00 0.00 H new ATOM 0 HA LYS A 85 1.860 11.401 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.336 11.449 0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.326 10.229 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.242 11.963 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.793 13.229 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.404 11.097 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.285 12.554 -0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.584 13.936 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.414 12.462 -1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.112 13.335 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.502 11.829 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.307 13.257 -2.568 1.00 0.00 H new ATOM 1217 N ILE A 86 3.035 9.232 3.522 1.00 0.00 N ATOM 1218 CA ILE A 86 3.681 7.900 3.733 1.00 0.00 C ATOM 1219 C ILE A 86 3.689 6.929 2.499 1.00 0.00 C ATOM 1220 O ILE A 86 4.729 6.320 2.232 1.00 0.00 O ATOM 1221 CB ILE A 86 3.125 7.265 5.061 1.00 0.00 C ATOM 1222 CG1 ILE A 86 3.884 5.984 5.504 1.00 0.00 C ATOM 1223 CG2 ILE A 86 1.604 6.949 5.039 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.329 6.199 5.977 1.00 0.00 C ATOM 0 H ILE A 86 2.266 9.415 4.166 1.00 0.00 H new ATOM 0 HA ILE A 86 4.750 8.080 3.847 1.00 0.00 H new ATOM 0 HB ILE A 86 3.299 8.058 5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.323 5.512 6.311 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.894 5.283 4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.309 6.515 5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.044 7.869 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.391 6.242 4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.765 5.241 6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.915 6.638 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.335 6.870 6.836 1.00 0.00 H new ATOM 1236 N GLU A 87 2.579 6.804 1.741 1.00 0.00 N ATOM 1237 CA GLU A 87 2.539 6.029 0.464 1.00 0.00 C ATOM 1238 C GLU A 87 3.622 6.407 -0.600 1.00 0.00 C ATOM 1239 O GLU A 87 4.334 5.518 -1.064 1.00 0.00 O ATOM 1240 CB GLU A 87 1.088 5.989 -0.095 1.00 0.00 C ATOM 1241 CG GLU A 87 0.468 7.325 -0.586 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.964 7.189 -1.093 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.879 7.244 -0.086 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.260 7.057 -2.276 1.00 0.00 O ATOM 0 H GLU A 87 1.686 7.231 1.987 1.00 0.00 H new ATOM 0 HA GLU A 87 2.835 5.012 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.068 5.284 -0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.440 5.584 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.487 8.046 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.089 7.731 -1.384 1.00 0.00 H new ATOM 1251 N ASP A 88 3.820 7.704 -0.908 1.00 0.00 N ATOM 1252 CA ASP A 88 4.944 8.185 -1.769 1.00 0.00 C ATOM 1253 C ASP A 88 6.382 7.782 -1.292 1.00 0.00 C ATOM 1254 O ASP A 88 7.189 7.337 -2.111 1.00 0.00 O ATOM 1255 CB ASP A 88 4.842 9.728 -1.937 1.00 0.00 C ATOM 1256 CG ASP A 88 3.646 10.243 -2.742 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.471 10.134 -2.063 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.736 10.712 -3.870 1.00 0.00 O ATOM 0 H ASP A 88 3.214 8.453 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 88 4.820 7.674 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.807 10.179 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.755 10.082 -2.416 1.00 0.00 H new ATOM 1263 N ARG A 89 6.681 7.896 0.017 1.00 0.00 N ATOM 1264 CA ARG A 89 7.936 7.358 0.620 1.00 0.00 C ATOM 1265 C ARG A 89 8.060 5.795 0.561 1.00 0.00 C ATOM 1266 O ARG A 89 9.062 5.296 0.044 1.00 0.00 O ATOM 1267 CB ARG A 89 8.108 7.902 2.068 1.00 0.00 C ATOM 1268 CG ARG A 89 8.100 9.448 2.222 1.00 0.00 C ATOM 1269 CD ARG A 89 8.601 9.993 3.574 1.00 0.00 C ATOM 1270 NE ARG A 89 7.776 9.549 4.738 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.711 10.188 5.223 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.206 11.269 4.693 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.134 9.713 6.286 1.00 0.00 N ATOM 0 H ARG A 89 6.070 8.359 0.690 1.00 0.00 H new ATOM 0 HA ARG A 89 8.758 7.719 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.310 7.491 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.048 7.522 2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.714 9.876 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.082 9.804 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.632 9.673 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.607 11.082 3.538 1.00 0.00 H new ATOM 0 HE ARG A 89 8.051 8.683 5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.629 11.673 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.388 11.709 5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.497 8.870 6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.318 10.184 6.677 1.00 0.00 H new ATOM 1287 N ALA A 90 7.053 5.030 1.036 1.00 0.00 N ATOM 1288 CA ALA A 90 7.003 3.549 0.877 1.00 0.00 C ATOM 1289 C ALA A 90 7.058 2.986 -0.583 1.00 0.00 C ATOM 1290 O ALA A 90 7.853 2.079 -0.845 1.00 0.00 O ATOM 1291 CB ALA A 90 5.744 3.073 1.628 1.00 0.00 C ATOM 0 H ALA A 90 6.253 5.414 1.539 1.00 0.00 H new ATOM 0 HA ALA A 90 7.926 3.148 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.658 1.990 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.821 3.350 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.862 3.542 1.193 1.00 0.00 H new ATOM 1297 N ASN A 91 6.269 3.532 -1.533 1.00 0.00 N ATOM 1298 CA ASN A 91 6.363 3.175 -2.979 1.00 0.00 C ATOM 1299 C ASN A 91 7.762 3.469 -3.628 1.00 0.00 C ATOM 1300 O ASN A 91 8.330 2.591 -4.284 1.00 0.00 O ATOM 1301 CB ASN A 91 5.233 3.875 -3.795 1.00 0.00 C ATOM 1302 CG ASN A 91 3.741 3.726 -3.459 1.00 0.00 C ATOM 1303 OD1 ASN A 91 2.951 4.632 -3.698 1.00 0.00 O ATOM 1304 ND2 ASN A 91 3.262 2.619 -2.956 1.00 0.00 N ATOM 0 H ASN A 91 5.552 4.228 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 91 6.235 2.093 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.450 4.943 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.351 3.549 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.262 2.532 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.888 1.842 -2.744 1.00 0.00 H new ATOM 1311 N LEU A 92 8.325 4.679 -3.427 1.00 0.00 N ATOM 1312 CA LEU A 92 9.711 5.022 -3.853 1.00 0.00 C ATOM 1313 C LEU A 92 10.859 4.177 -3.211 1.00 0.00 C ATOM 1314 O LEU A 92 11.739 3.715 -3.941 1.00 0.00 O ATOM 1315 CB LEU A 92 9.878 6.549 -3.640 1.00 0.00 C ATOM 1316 CG LEU A 92 11.198 7.182 -4.143 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.395 7.035 -5.658 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.225 8.668 -3.782 1.00 0.00 C ATOM 0 H LEU A 92 7.838 5.448 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 92 9.822 4.753 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.048 7.054 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.786 6.756 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 92 12.010 6.645 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.338 7.499 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.414 5.978 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.573 7.524 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.155 9.112 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.380 9.172 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.159 8.781 -2.700 1.00 0.00 H new ATOM 1330 N ILE A 93 10.855 3.941 -1.885 1.00 0.00 N ATOM 1331 CA ILE A 93 11.809 2.992 -1.224 1.00 0.00 C ATOM 1332 C ILE A 93 11.647 1.510 -1.734 1.00 0.00 C ATOM 1333 O ILE A 93 12.669 0.880 -2.006 1.00 0.00 O ATOM 1334 CB ILE A 93 11.795 3.199 0.336 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.261 4.632 0.759 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.662 2.162 1.101 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.832 5.069 2.169 1.00 0.00 C ATOM 0 H ILE A 93 10.206 4.389 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 93 12.827 3.231 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 93 10.750 3.058 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.348 4.676 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.871 5.351 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.608 2.362 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.290 1.157 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.698 2.238 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.203 6.075 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.744 5.064 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.244 4.379 2.905 1.00 0.00 H new ATOM 1349 N ALA A 94 10.425 0.973 -1.949 1.00 0.00 N ATOM 1350 CA ALA A 94 10.217 -0.275 -2.741 1.00 0.00 C ATOM 1351 C ALA A 94 10.765 -0.291 -4.213 1.00 0.00 C ATOM 1352 O ALA A 94 11.406 -1.271 -4.603 1.00 0.00 O ATOM 1353 CB ALA A 94 8.714 -0.597 -2.675 1.00 0.00 C ATOM 0 H ALA A 94 9.563 1.380 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 94 10.832 -1.050 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.511 -1.506 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.419 -0.744 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.146 0.230 -3.100 1.00 0.00 H new ATOM 1359 N TYR A 95 10.583 0.784 -5.009 1.00 0.00 N ATOM 1360 CA TYR A 95 11.335 0.993 -6.286 1.00 0.00 C ATOM 1361 C TYR A 95 12.899 1.002 -6.166 1.00 0.00 C ATOM 1362 O TYR A 95 13.562 0.312 -6.942 1.00 0.00 O ATOM 1363 CB TYR A 95 10.768 2.276 -6.960 1.00 0.00 C ATOM 1364 CG TYR A 95 11.347 2.651 -8.336 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.162 1.812 -9.440 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.051 3.850 -8.496 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.679 2.164 -10.685 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.551 4.207 -9.745 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.364 3.365 -10.837 1.00 0.00 C ATOM 1370 OH TYR A 95 12.830 3.733 -12.070 1.00 0.00 O ATOM 0 H TYR A 95 9.920 1.530 -4.797 1.00 0.00 H new ATOM 0 HA TYR A 95 11.170 0.118 -6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.690 2.156 -7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.930 3.115 -6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.616 0.887 -9.327 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.207 4.500 -7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.548 1.505 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.084 5.138 -9.867 1.00 0.00 H new ATOM 0 HH TYR A 95 12.839 4.711 -12.138 1.00 0.00 H new ATOM 1380 N LEU A 96 13.482 1.747 -5.214 1.00 0.00 N ATOM 1381 CA LEU A 96 14.953 1.734 -4.945 1.00 0.00 C ATOM 1382 C LEU A 96 15.526 0.435 -4.256 1.00 0.00 C ATOM 1383 O LEU A 96 16.711 0.133 -4.418 1.00 0.00 O ATOM 1384 CB LEU A 96 15.291 3.032 -4.158 1.00 0.00 C ATOM 1385 CG LEU A 96 14.961 4.400 -4.830 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.109 5.555 -3.827 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.820 4.670 -6.077 1.00 0.00 C ATOM 0 H LEU A 96 12.961 2.377 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 96 15.462 1.708 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.764 2.992 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.357 3.019 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 96 13.923 4.340 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.873 6.498 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.425 5.402 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.133 5.586 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.548 5.635 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.874 4.681 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.648 3.886 -6.814 1.00 0.00 H new ATOM 1399 N GLU A 97 14.714 -0.360 -3.531 1.00 0.00 N ATOM 1400 CA GLU A 97 14.978 -1.814 -3.286 1.00 0.00 C ATOM 1401 C GLU A 97 14.942 -2.713 -4.573 1.00 0.00 C ATOM 1402 O GLU A 97 15.815 -3.570 -4.726 1.00 0.00 O ATOM 1403 CB GLU A 97 13.981 -2.360 -2.224 1.00 0.00 C ATOM 1404 CG GLU A 97 14.184 -1.838 -0.782 1.00 0.00 C ATOM 1405 CD GLU A 97 13.154 -2.355 0.217 1.00 0.00 C ATOM 1406 OE1 GLU A 97 11.996 -1.638 0.189 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.347 -3.304 0.969 1.00 0.00 O ATOM 0 H GLU A 97 13.855 -0.024 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 97 16.003 -1.872 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.968 -2.111 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.053 -3.448 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.180 -2.122 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.149 -0.749 -0.793 1.00 0.00 H new ATOM 1414 N GLY A 98 13.968 -2.526 -5.490 1.00 0.00 N ATOM 1415 CA GLY A 98 14.006 -3.128 -6.854 1.00 0.00 C ATOM 1416 C GLY A 98 15.221 -2.767 -7.744 1.00 0.00 C ATOM 1417 O GLY A 98 15.948 -3.670 -8.165 1.00 0.00 O ATOM 0 H GLY A 98 13.138 -1.960 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.973 -4.212 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.099 -2.832 -7.381 1.00 0.00 H new ATOM 1421 N GLN A 99 15.471 -1.469 -7.995 1.00 0.00 N ATOM 1422 CA GLN A 99 16.767 -1.012 -8.570 1.00 0.00 C ATOM 1423 C GLN A 99 17.876 -0.851 -7.479 1.00 0.00 C ATOM 1424 O GLN A 99 18.208 0.256 -7.032 1.00 0.00 O ATOM 1425 CB GLN A 99 16.552 0.271 -9.420 1.00 0.00 C ATOM 1426 CG GLN A 99 17.786 0.757 -10.232 1.00 0.00 C ATOM 1427 CD GLN A 99 18.389 -0.224 -11.247 1.00 0.00 C ATOM 1428 OE1 GLN A 99 17.903 -0.366 -12.363 1.00 0.00 O ATOM 1429 NE2 GLN A 99 19.453 -0.926 -10.919 1.00 0.00 N ATOM 0 H GLN A 99 14.805 -0.718 -7.814 1.00 0.00 H new ATOM 0 HA GLN A 99 17.140 -1.787 -9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.731 0.091 -10.114 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.237 1.076 -8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.503 1.664 -10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 99 18.568 1.034 -9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.869 -0.819 -9.994 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.861 -1.577 -11.590 1.00 0.00 H new ATOM 1438 N GLN A 100 18.504 -1.984 -7.136 1.00 0.00 N ATOM 1439 CA GLN A 100 19.841 -1.989 -6.502 1.00 0.00 C ATOM 1440 C GLN A 100 20.929 -2.049 -7.616 1.00 0.00 C ATOM 1441 O GLN A 100 20.997 -1.099 -8.440 1.00 0.00 O ATOM 1442 CB GLN A 100 19.884 -3.095 -5.409 1.00 0.00 C ATOM 1443 CG GLN A 100 19.100 -2.774 -4.101 1.00 0.00 C ATOM 1444 CD GLN A 100 19.774 -1.761 -3.177 1.00 0.00 C ATOM 1445 OE1 GLN A 100 20.812 -2.010 -2.577 1.00 0.00 O ATOM 1446 NE2 GLN A 100 19.212 -0.591 -3.016 1.00 0.00 N ATOM 1447 OXT GLN A 100 21.718 -3.020 -7.678 1.00 0.00 O ATOM 0 H GLN A 100 18.111 -2.913 -7.285 1.00 0.00 H new ATOM 0 HA GLN A 100 20.060 -1.070 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.487 -4.017 -5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 100 20.926 -3.286 -5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 100 18.113 -2.398 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.948 -3.702 -3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 100 18.347 -0.368 -3.509 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.639 0.099 -2.398 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 18.489 14.139 -3.834 1.00 0.00 FE HETATM 1458 CHA HEC A 101 21.405 13.422 -2.165 1.00 0.00 C HETATM 1459 CHB HEC A 101 17.485 11.094 -2.492 1.00 0.00 C HETATM 1460 CHC HEC A 101 15.458 14.880 -4.859 1.00 0.00 C HETATM 1461 CHD HEC A 101 19.605 16.758 -5.258 1.00 0.00 C HETATM 1462 NA HEC A 101 19.163 12.766 -2.529 1.00 0.00 N HETATM 1463 C1A HEC A 101 20.361 12.607 -1.998 1.00 0.00 C HETATM 1464 C2A HEC A 101 20.582 11.490 -1.254 1.00 0.00 C HETATM 1465 C3A HEC A 101 19.430 10.844 -1.309 1.00 0.00 C HETATM 1466 C4A HEC A 101 18.667 11.602 -2.139 1.00 0.00 C HETATM 1467 CMA HEC A 101 19.122 9.521 -0.575 1.00 0.00 C HETATM 1468 CAA HEC A 101 21.841 10.981 -0.512 1.00 0.00 C HETATM 1469 CBA HEC A 101 22.719 10.107 -1.441 1.00 0.00 C HETATM 1470 CGA HEC A 101 24.109 9.712 -0.938 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.797 8.972 -1.681 1.00 0.00 O HETATM 1472 O2A HEC A 101 24.551 10.151 0.148 1.00 0.00 O HETATM 1473 NB HEC A 101 16.900 13.160 -3.747 1.00 0.00 N HETATM 1474 C1B HEC A 101 16.550 11.843 -3.328 1.00 0.00 C HETATM 1475 C2B HEC A 101 15.269 11.427 -3.676 1.00 0.00 C HETATM 1476 C3B HEC A 101 14.643 12.533 -4.213 1.00 0.00 C HETATM 1477 C4B HEC A 101 15.616 13.554 -4.225 1.00 0.00 C HETATM 1478 CMB HEC A 101 14.707 10.002 -3.576 1.00 0.00 C HETATM 1479 CAB HEC A 101 13.245 12.548 -4.874 1.00 0.00 C HETATM 1480 CBB HEC A 101 12.120 12.399 -3.834 1.00 0.00 C HETATM 1481 NC HEC A 101 17.667 15.607 -4.641 1.00 0.00 N HETATM 1482 C1C HEC A 101 16.457 15.744 -5.079 1.00 0.00 C HETATM 1483 C2C HEC A 101 16.261 16.820 -5.877 1.00 0.00 C HETATM 1484 C3C HEC A 101 17.479 17.336 -6.058 1.00 0.00 C HETATM 1485 C4C HEC A 101 18.279 16.550 -5.292 1.00 0.00 C HETATM 1486 CMC HEC A 101 14.986 17.354 -6.555 1.00 0.00 C HETATM 1487 CAC HEC A 101 17.866 18.486 -7.038 1.00 0.00 C HETATM 1488 CBC HEC A 101 17.046 19.781 -6.912 1.00 0.00 C HETATM 1489 ND HEC A 101 20.197 14.788 -3.862 1.00 0.00 N HETATM 1490 C1D HEC A 101 20.595 15.977 -4.496 1.00 0.00 C HETATM 1491 C2D HEC A 101 21.898 16.398 -4.185 1.00 0.00 C HETATM 1492 C3D HEC A 101 22.398 15.480 -3.286 1.00 0.00 C HETATM 1493 C4D HEC A 101 21.370 14.548 -3.099 1.00 0.00 C HETATM 1494 CMD HEC A 101 22.614 17.630 -4.742 1.00 0.00 C HETATM 1495 CAD HEC A 101 23.596 15.675 -2.332 1.00 0.00 C HETATM 1496 CBD HEC A 101 23.636 17.036 -1.611 1.00 0.00 C HETATM 1497 CGD HEC A 101 24.691 17.130 -0.517 1.00 0.00 C HETATM 1498 O1D HEC A 101 24.298 17.153 0.670 1.00 0.00 O HETATM 1499 O2D HEC A 101 25.900 17.194 -0.828 1.00 0.00 O HETATM 0 HMD3 HEC A 101 22.687 17.549 -5.826 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 22.051 18.526 -4.483 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 23.615 17.694 -4.314 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 14.586 16.594 -7.227 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 14.243 17.594 -5.795 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 15.226 18.252 -7.124 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 15.303 9.331 -4.195 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 14.744 9.668 -2.539 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 13.674 9.993 -3.923 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 19.815 8.749 -0.910 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.233 9.667 0.499 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 18.100 9.212 -0.795 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 23.820 17.819 -2.346 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 22.657 17.232 -1.174 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 15.994 19.565 -7.098 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 17.160 20.188 -5.907 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 17.402 20.509 -7.641 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 12.238 11.454 -3.304 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 12.171 13.223 -3.122 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 11.154 12.414 -4.338 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.169 9.192 -1.660 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 22.842 10.639 -2.385 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 23.578 14.884 -1.583 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 24.518 15.554 -2.901 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 22.422 11.829 -0.150 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 21.543 10.402 0.362 1.00 0.00 H new HETATM 0 HHD HEC A 101 19.987 17.587 -5.853 1.00 0.00 H new HETATM 0 HHC HEC A 101 14.456 15.176 -5.170 1.00 0.00 H new HETATM 0 HHB HEC A 101 17.210 10.097 -2.149 1.00 0.00 H new HETATM 0 HHA HEC A 101 22.312 13.243 -1.588 1.00 0.00 H new HETATM 0 H2D HEC A 101 26.193 18.129 -0.812 1.00 0.00 H new HETATM 0 H2A HEC A 101 25.248 10.817 -0.028 1.00 0.00 H new