USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 508 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 53 SER OG : rot 180:sc= 1.05 USER MOD Set 1.2: A 56 THR OG1 : rot 78:sc= 1.05 USER MOD Set 2.1: A 37 SER OG : rot 110:sc= 0.806 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.736 X(o=1.5,f=1.2) USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= 0.207 USER MOD Set 3.2: A 16 SER OG : rot 95:sc= 0.149 USER MOD Single : A 2 THR OG1 : rot 19:sc= 0.114 USER MOD Single : A 3 GLN : amide:sc= 0.623 K(o=0.62,f=-0.073) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.227 X(o=0.23,f=-0.086) USER MOD Single : A 12 MET CE :methyl -174:sc= -0.0061 (180deg=-0.0689) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0785 K(o=-0.079,f=-2.5!) USER MOD Single : A 17 CYS SG : rot -100:sc= 0.118 USER MOD Single : A 19 GLN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 20 SER OG : rot -80:sc= 0.67 USER MOD Single : A 26 SER OG : rot -37:sc= 0.52 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= -0.0846 (180deg=-0.158) USER MOD Single : A 33 SER OG : rot -92:sc= 0.354 USER MOD Single : A 41 SER OG : rot 10:sc= 0.693 USER MOD Single : A 42 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00834 USER MOD Single : A 64 MET CE :methyl 167:sc=-0.00136 (180deg=-0.304) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 5.282 -15.425 -2.964 1.00 0.00 N ATOM 23 CA THR A 2 5.783 -14.077 -3.203 1.00 0.00 C ATOM 24 C THR A 2 5.044 -13.469 -4.398 1.00 0.00 C ATOM 25 O THR A 2 4.980 -14.088 -5.459 1.00 0.00 O ATOM 26 CB THR A 2 7.305 -14.111 -3.436 1.00 0.00 C ATOM 27 OG1 THR A 2 7.620 -14.887 -4.574 1.00 0.00 O ATOM 28 CG2 THR A 2 8.063 -14.689 -2.236 1.00 0.00 C ATOM 0 HA THR A 2 5.599 -13.452 -2.329 1.00 0.00 H new ATOM 0 HB THR A 2 7.615 -13.076 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.822 -14.986 -5.134 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.132 -14.692 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.870 -14.077 -1.355 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.727 -15.709 -2.050 1.00 0.00 H new ATOM 36 N GLN A 3 4.487 -12.263 -4.226 1.00 0.00 N ATOM 37 CA GLN A 3 3.808 -11.496 -5.267 1.00 0.00 C ATOM 38 C GLN A 3 4.070 -10.003 -5.053 1.00 0.00 C ATOM 39 O GLN A 3 4.626 -9.602 -4.031 1.00 0.00 O ATOM 40 CB GLN A 3 2.295 -11.777 -5.236 1.00 0.00 C ATOM 41 CG GLN A 3 1.887 -13.136 -5.817 1.00 0.00 C ATOM 42 CD GLN A 3 2.116 -13.213 -7.325 1.00 0.00 C ATOM 43 OE1 GLN A 3 1.273 -12.774 -8.104 1.00 0.00 O ATOM 44 NE2 GLN A 3 3.251 -13.773 -7.747 1.00 0.00 N ATOM 0 H GLN A 3 4.500 -11.782 -3.326 1.00 0.00 H new ATOM 0 HA GLN A 3 4.195 -11.795 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.949 -11.719 -4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.781 -10.991 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.456 -13.925 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.834 -13.320 -5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.928 -14.126 -7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.442 -13.848 -8.746 1.00 0.00 H new ATOM 53 N GLU A 4 3.654 -9.186 -6.029 1.00 0.00 N ATOM 54 CA GLU A 4 3.697 -7.733 -5.971 1.00 0.00 C ATOM 55 C GLU A 4 2.380 -7.179 -6.511 1.00 0.00 C ATOM 56 O GLU A 4 1.810 -7.740 -7.446 1.00 0.00 O ATOM 57 CB GLU A 4 4.904 -7.210 -6.762 1.00 0.00 C ATOM 58 CG GLU A 4 5.028 -5.681 -6.670 1.00 0.00 C ATOM 59 CD GLU A 4 6.320 -5.172 -7.306 1.00 0.00 C ATOM 60 OE1 GLU A 4 6.562 -5.537 -8.477 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.041 -4.424 -6.611 1.00 0.00 O ATOM 0 H GLU A 4 3.267 -9.537 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 4 3.817 -7.398 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.815 -7.672 -6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.809 -7.505 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.174 -5.218 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.995 -5.377 -5.624 1.00 0.00 H new ATOM 68 N THR A 5 1.904 -6.087 -5.904 1.00 0.00 N ATOM 69 CA THR A 5 0.691 -5.383 -6.289 1.00 0.00 C ATOM 70 C THR A 5 0.966 -3.881 -6.288 1.00 0.00 C ATOM 71 O THR A 5 1.843 -3.409 -5.564 1.00 0.00 O ATOM 72 CB THR A 5 -0.466 -5.759 -5.345 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.655 -5.095 -5.720 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.182 -5.417 -3.877 1.00 0.00 C ATOM 0 H THR A 5 2.373 -5.660 -5.105 1.00 0.00 H new ATOM 0 HA THR A 5 0.390 -5.676 -7.295 1.00 0.00 H new ATOM 0 HB THR A 5 -0.575 -6.840 -5.436 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.132 -4.799 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.036 -5.707 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.704 -5.956 -3.543 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.013 -4.345 -3.779 1.00 0.00 H new ATOM 82 N VAL A 6 0.205 -3.144 -7.101 1.00 0.00 N ATOM 83 CA VAL A 6 0.191 -1.692 -7.127 1.00 0.00 C ATOM 84 C VAL A 6 -1.240 -1.257 -6.819 1.00 0.00 C ATOM 85 O VAL A 6 -2.193 -1.840 -7.337 1.00 0.00 O ATOM 86 CB VAL A 6 0.700 -1.165 -8.479 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.749 0.370 -8.478 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.106 -1.696 -8.788 1.00 0.00 C ATOM 0 H VAL A 6 -0.435 -3.561 -7.777 1.00 0.00 H new ATOM 0 HA VAL A 6 0.865 -1.271 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 6 0.005 -1.515 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.112 0.723 -9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.251 0.766 -8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.421 0.712 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.439 -1.306 -9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.796 -1.374 -8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.083 -2.785 -8.826 1.00 0.00 H new ATOM 98 N ILE A 7 -1.381 -0.248 -5.954 1.00 0.00 N ATOM 99 CA ILE A 7 -2.657 0.243 -5.457 1.00 0.00 C ATOM 100 C ILE A 7 -2.659 1.762 -5.623 1.00 0.00 C ATOM 101 O ILE A 7 -1.758 2.427 -5.124 1.00 0.00 O ATOM 102 CB ILE A 7 -2.836 -0.183 -3.982 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.688 -1.712 -3.840 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.199 0.286 -3.449 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.902 -2.224 -2.412 1.00 0.00 C ATOM 0 H ILE A 7 -0.583 0.260 -5.573 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.495 -0.177 -6.013 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.056 0.291 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.403 -2.200 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.693 -2.004 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.309 -0.022 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.261 1.372 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.996 -0.159 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.782 -3.307 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.170 -1.765 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.907 -1.964 -2.079 1.00 0.00 H new ATOM 117 N ASN A 8 -3.666 2.310 -6.313 1.00 0.00 N ATOM 118 CA ASN A 8 -3.892 3.747 -6.410 1.00 0.00 C ATOM 119 C ASN A 8 -4.287 4.261 -5.028 1.00 0.00 C ATOM 120 O ASN A 8 -5.162 3.670 -4.400 1.00 0.00 O ATOM 121 CB ASN A 8 -5.032 4.067 -7.390 1.00 0.00 C ATOM 122 CG ASN A 8 -4.926 3.323 -8.717 1.00 0.00 C ATOM 123 OD1 ASN A 8 -4.152 3.703 -9.592 1.00 0.00 O ATOM 124 ND2 ASN A 8 -5.706 2.251 -8.871 1.00 0.00 N ATOM 0 H ASN A 8 -4.353 1.756 -6.825 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.980 4.223 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.984 3.820 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.042 5.139 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.672 1.716 -9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.336 1.967 -8.121 1.00 0.00 H new ATOM 131 N ILE A 9 -3.658 5.345 -4.562 1.00 0.00 N ATOM 132 CA ILE A 9 -3.968 5.972 -3.284 1.00 0.00 C ATOM 133 C ILE A 9 -4.165 7.463 -3.548 1.00 0.00 C ATOM 134 O ILE A 9 -3.194 8.212 -3.637 1.00 0.00 O ATOM 135 CB ILE A 9 -2.865 5.721 -2.235 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.467 4.237 -2.137 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.373 6.222 -0.872 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.247 4.021 -1.236 1.00 0.00 C ATOM 0 H ILE A 9 -2.910 5.814 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.875 5.537 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.970 6.262 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.308 3.662 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.252 3.854 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.608 6.054 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.593 7.288 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.278 5.680 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.006 2.959 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.397 4.573 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.470 4.378 -0.230 1.00 0.00 H new ATOM 150 N ASP A 10 -5.426 7.888 -3.663 1.00 0.00 N ATOM 151 CA ASP A 10 -5.788 9.286 -3.842 1.00 0.00 C ATOM 152 C ASP A 10 -6.209 9.857 -2.485 1.00 0.00 C ATOM 153 O ASP A 10 -6.685 9.128 -1.616 1.00 0.00 O ATOM 154 CB ASP A 10 -6.877 9.397 -4.918 1.00 0.00 C ATOM 155 CG ASP A 10 -7.470 10.801 -5.000 1.00 0.00 C ATOM 156 OD1 ASP A 10 -6.716 11.713 -5.405 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.662 10.939 -4.649 1.00 0.00 O ATOM 0 H ASP A 10 -6.229 7.260 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.944 9.878 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.457 9.126 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.671 8.682 -4.703 1.00 0.00 H new ATOM 162 N GLY A 11 -5.996 11.164 -2.304 1.00 0.00 N ATOM 163 CA GLY A 11 -6.205 11.861 -1.043 1.00 0.00 C ATOM 164 C GLY A 11 -4.901 12.059 -0.264 1.00 0.00 C ATOM 165 O GLY A 11 -4.942 12.579 0.851 1.00 0.00 O ATOM 0 H GLY A 11 -5.666 11.776 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.660 12.832 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.909 11.297 -0.431 1.00 0.00 H new ATOM 169 N MET A 12 -3.746 11.676 -0.833 1.00 0.00 N ATOM 170 CA MET A 12 -2.455 11.915 -0.207 1.00 0.00 C ATOM 171 C MET A 12 -2.083 13.371 -0.460 1.00 0.00 C ATOM 172 O MET A 12 -1.775 13.759 -1.585 1.00 0.00 O ATOM 173 CB MET A 12 -1.381 10.955 -0.737 1.00 0.00 C ATOM 174 CG MET A 12 -1.702 9.506 -0.360 1.00 0.00 C ATOM 175 SD MET A 12 -0.302 8.354 -0.412 1.00 0.00 S ATOM 176 CE MET A 12 0.138 8.437 -2.160 1.00 0.00 C ATOM 0 H MET A 12 -3.691 11.197 -1.732 1.00 0.00 H new ATOM 0 HA MET A 12 -2.519 11.726 0.865 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.311 11.045 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.408 11.233 -0.331 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.121 9.496 0.646 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.477 9.138 -1.032 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.915 7.703 -2.375 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.742 8.223 -2.767 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.507 9.435 -2.395 1.00 0.00 H new ATOM 186 N THR A 13 -2.144 14.173 0.606 1.00 0.00 N ATOM 187 CA THR A 13 -2.009 15.618 0.558 1.00 0.00 C ATOM 188 C THR A 13 -0.534 16.016 0.576 1.00 0.00 C ATOM 189 O THR A 13 -0.151 16.959 -0.115 1.00 0.00 O ATOM 190 CB THR A 13 -2.780 16.220 1.744 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.131 15.805 1.689 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.745 17.752 1.732 1.00 0.00 C ATOM 0 H THR A 13 -2.293 13.818 1.550 1.00 0.00 H new ATOM 0 HA THR A 13 -2.430 16.007 -0.369 1.00 0.00 H new ATOM 0 HB THR A 13 -2.299 15.869 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.622 16.188 2.446 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.302 18.135 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.711 18.093 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.197 18.119 0.811 1.00 0.00 H new ATOM 200 N CYS A 14 0.293 15.310 1.359 1.00 0.00 N ATOM 201 CA CYS A 14 1.713 15.630 1.490 1.00 0.00 C ATOM 202 C CYS A 14 2.502 14.396 1.946 1.00 0.00 C ATOM 203 O CYS A 14 1.936 13.319 2.131 1.00 0.00 O ATOM 204 CB CYS A 14 1.896 16.815 2.457 1.00 0.00 C ATOM 205 SG CYS A 14 1.626 16.347 4.179 1.00 0.00 S ATOM 0 H CYS A 14 -0.005 14.508 1.914 1.00 0.00 H new ATOM 0 HA CYS A 14 2.107 15.926 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.903 17.218 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.202 17.611 2.187 1.00 0.00 H new ATOM 0 HG CYS A 14 1.797 17.385 4.943 1.00 0.00 H new ATOM 210 N ASN A 15 3.816 14.573 2.129 1.00 0.00 N ATOM 211 CA ASN A 15 4.767 13.539 2.525 1.00 0.00 C ATOM 212 C ASN A 15 4.383 12.824 3.825 1.00 0.00 C ATOM 213 O ASN A 15 4.700 11.649 3.987 1.00 0.00 O ATOM 214 CB ASN A 15 6.177 14.137 2.632 1.00 0.00 C ATOM 215 CG ASN A 15 6.316 15.160 3.763 1.00 0.00 C ATOM 216 OD1 ASN A 15 5.470 16.037 3.924 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.387 15.055 4.552 1.00 0.00 N ATOM 0 H ASN A 15 4.260 15.482 1.998 1.00 0.00 H new ATOM 0 HA ASN A 15 4.747 12.778 1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.895 13.332 2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.435 14.614 1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.523 15.715 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.069 14.315 4.390 1.00 0.00 H new ATOM 224 N SER A 16 3.711 13.515 4.753 1.00 0.00 N ATOM 225 CA SER A 16 3.219 12.926 5.993 1.00 0.00 C ATOM 226 C SER A 16 2.354 11.692 5.719 1.00 0.00 C ATOM 227 O SER A 16 2.492 10.682 6.406 1.00 0.00 O ATOM 228 CB SER A 16 2.436 13.972 6.789 1.00 0.00 C ATOM 229 OG SER A 16 3.235 15.120 6.986 1.00 0.00 O ATOM 0 H SER A 16 3.494 14.507 4.659 1.00 0.00 H new ATOM 0 HA SER A 16 4.075 12.599 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.524 14.240 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.134 13.559 7.751 1.00 0.00 H new ATOM 0 HG SER A 16 3.036 15.780 6.290 1.00 0.00 H new ATOM 235 N CYS A 17 1.476 11.770 4.709 1.00 0.00 N ATOM 236 CA CYS A 17 0.618 10.660 4.319 1.00 0.00 C ATOM 237 C CYS A 17 1.472 9.485 3.847 1.00 0.00 C ATOM 238 O CYS A 17 1.322 8.379 4.357 1.00 0.00 O ATOM 239 CB CYS A 17 -0.366 11.085 3.227 1.00 0.00 C ATOM 240 SG CYS A 17 -1.442 12.476 3.650 1.00 0.00 S ATOM 0 H CYS A 17 1.346 12.609 4.143 1.00 0.00 H new ATOM 0 HA CYS A 17 0.037 10.349 5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.200 11.345 2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.991 10.229 2.971 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.613 12.029 3.996 1.00 0.00 H new ATOM 245 N VAL A 18 2.374 9.734 2.888 1.00 0.00 N ATOM 246 CA VAL A 18 3.279 8.736 2.326 1.00 0.00 C ATOM 247 C VAL A 18 3.997 7.973 3.443 1.00 0.00 C ATOM 248 O VAL A 18 3.949 6.744 3.488 1.00 0.00 O ATOM 249 CB VAL A 18 4.278 9.424 1.374 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.344 8.458 0.843 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.547 10.045 0.178 1.00 0.00 C ATOM 0 H VAL A 18 2.493 10.659 2.475 1.00 0.00 H new ATOM 0 HA VAL A 18 2.706 8.007 1.753 1.00 0.00 H new ATOM 0 HB VAL A 18 4.773 10.198 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.021 8.994 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.908 8.044 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.861 7.649 0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.270 10.525 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.018 9.265 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.832 10.787 0.534 1.00 0.00 H new ATOM 261 N GLN A 19 4.654 8.716 4.340 1.00 0.00 N ATOM 262 CA GLN A 19 5.432 8.175 5.444 1.00 0.00 C ATOM 263 C GLN A 19 4.560 7.347 6.390 1.00 0.00 C ATOM 264 O GLN A 19 4.918 6.216 6.708 1.00 0.00 O ATOM 265 CB GLN A 19 6.115 9.325 6.193 1.00 0.00 C ATOM 266 CG GLN A 19 7.227 9.956 5.345 1.00 0.00 C ATOM 267 CD GLN A 19 7.743 11.244 5.977 1.00 0.00 C ATOM 268 OE1 GLN A 19 8.869 11.300 6.465 1.00 0.00 O ATOM 269 NE2 GLN A 19 6.913 12.288 5.966 1.00 0.00 N ATOM 0 H GLN A 19 4.655 9.736 4.312 1.00 0.00 H new ATOM 0 HA GLN A 19 6.192 7.505 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.376 10.084 6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.533 8.955 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.049 9.248 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.849 10.165 4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.986 12.198 5.550 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.205 13.176 6.373 1.00 0.00 H new ATOM 278 N SER A 20 3.429 7.903 6.843 1.00 0.00 N ATOM 279 CA SER A 20 2.547 7.237 7.794 1.00 0.00 C ATOM 280 C SER A 20 1.997 5.929 7.220 1.00 0.00 C ATOM 281 O SER A 20 2.109 4.887 7.865 1.00 0.00 O ATOM 282 CB SER A 20 1.427 8.182 8.246 1.00 0.00 C ATOM 283 OG SER A 20 0.649 8.620 7.153 1.00 0.00 O ATOM 0 H SER A 20 3.105 8.827 6.557 1.00 0.00 H new ATOM 0 HA SER A 20 3.131 6.974 8.676 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.789 7.673 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.859 9.043 8.755 1.00 0.00 H new ATOM 0 HG SER A 20 1.115 9.348 6.690 1.00 0.00 H new ATOM 289 N ILE A 21 1.420 5.983 6.012 1.00 0.00 N ATOM 290 CA ILE A 21 0.897 4.820 5.304 1.00 0.00 C ATOM 291 C ILE A 21 1.978 3.745 5.229 1.00 0.00 C ATOM 292 O ILE A 21 1.766 2.631 5.700 1.00 0.00 O ATOM 293 CB ILE A 21 0.397 5.214 3.900 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.837 6.132 3.992 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.036 3.957 3.091 1.00 0.00 C ATOM 296 CD1 ILE A 21 -1.077 6.864 2.668 1.00 0.00 C ATOM 0 H ILE A 21 1.304 6.855 5.495 1.00 0.00 H new ATOM 0 HA ILE A 21 0.043 4.419 5.850 1.00 0.00 H new ATOM 0 HB ILE A 21 1.200 5.753 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.716 5.541 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.696 6.858 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.316 4.250 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.917 3.324 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.750 3.406 3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.954 7.505 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.206 7.473 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.242 6.135 1.874 1.00 0.00 H new ATOM 308 N GLU A 22 3.133 4.083 4.643 1.00 0.00 N ATOM 309 CA GLU A 22 4.234 3.152 4.464 1.00 0.00 C ATOM 310 C GLU A 22 4.644 2.518 5.796 1.00 0.00 C ATOM 311 O GLU A 22 4.821 1.304 5.869 1.00 0.00 O ATOM 312 CB GLU A 22 5.395 3.872 3.768 1.00 0.00 C ATOM 313 CG GLU A 22 6.514 2.894 3.405 1.00 0.00 C ATOM 314 CD GLU A 22 7.437 3.491 2.350 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.122 3.301 1.156 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.433 4.132 2.752 1.00 0.00 O ATOM 0 H GLU A 22 3.323 5.017 4.281 1.00 0.00 H new ATOM 0 HA GLU A 22 3.917 2.327 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.032 4.365 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.787 4.651 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.088 2.645 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.083 1.964 3.033 1.00 0.00 H new ATOM 323 N GLY A 23 4.769 3.336 6.847 1.00 0.00 N ATOM 324 CA GLY A 23 5.097 2.897 8.193 1.00 0.00 C ATOM 325 C GLY A 23 4.140 1.814 8.692 1.00 0.00 C ATOM 326 O GLY A 23 4.585 0.749 9.110 1.00 0.00 O ATOM 0 H GLY A 23 4.640 4.345 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.118 2.515 8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.064 3.750 8.871 1.00 0.00 H new ATOM 330 N VAL A 24 2.830 2.079 8.650 1.00 0.00 N ATOM 331 CA VAL A 24 1.820 1.150 9.143 1.00 0.00 C ATOM 332 C VAL A 24 1.792 -0.124 8.290 1.00 0.00 C ATOM 333 O VAL A 24 1.913 -1.223 8.827 1.00 0.00 O ATOM 334 CB VAL A 24 0.449 1.848 9.209 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.664 0.868 9.605 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.474 2.979 10.247 1.00 0.00 C ATOM 0 H VAL A 24 2.445 2.945 8.272 1.00 0.00 H new ATOM 0 HA VAL A 24 2.077 0.841 10.156 1.00 0.00 H new ATOM 0 HB VAL A 24 0.246 2.244 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.617 1.395 9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.721 0.066 8.869 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.445 0.446 10.586 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.502 3.463 10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.710 2.567 11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.232 3.711 9.969 1.00 0.00 H new ATOM 346 N ILE A 25 1.630 0.020 6.969 1.00 0.00 N ATOM 347 CA ILE A 25 1.488 -1.102 6.047 1.00 0.00 C ATOM 348 C ILE A 25 2.720 -2.019 6.093 1.00 0.00 C ATOM 349 O ILE A 25 2.561 -3.237 6.066 1.00 0.00 O ATOM 350 CB ILE A 25 1.138 -0.601 4.628 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.373 -0.335 4.455 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.506 -1.637 3.555 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.999 0.642 5.454 1.00 0.00 C ATOM 0 H ILE A 25 1.594 0.930 6.510 1.00 0.00 H new ATOM 0 HA ILE A 25 0.650 -1.721 6.367 1.00 0.00 H new ATOM 0 HB ILE A 25 1.709 0.320 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.542 0.047 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.900 -1.286 4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.245 -1.249 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.577 -1.837 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.957 -2.561 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.062 0.753 5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.873 0.258 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.509 1.612 5.370 1.00 0.00 H new ATOM 365 N SER A 26 3.936 -1.459 6.173 1.00 0.00 N ATOM 366 CA SER A 26 5.170 -2.245 6.222 1.00 0.00 C ATOM 367 C SER A 26 5.198 -3.251 7.379 1.00 0.00 C ATOM 368 O SER A 26 5.874 -4.273 7.276 1.00 0.00 O ATOM 369 CB SER A 26 6.399 -1.330 6.273 1.00 0.00 C ATOM 370 OG SER A 26 6.413 -0.552 7.450 1.00 0.00 O ATOM 0 H SER A 26 4.088 -0.451 6.205 1.00 0.00 H new ATOM 0 HA SER A 26 5.198 -2.828 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.306 -1.933 6.223 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.403 -0.675 5.402 1.00 0.00 H new ATOM 0 HG SER A 26 5.498 -0.282 7.674 1.00 0.00 H new ATOM 376 N LYS A 27 4.470 -2.972 8.468 1.00 0.00 N ATOM 377 CA LYS A 27 4.457 -3.800 9.667 1.00 0.00 C ATOM 378 C LYS A 27 3.381 -4.892 9.598 1.00 0.00 C ATOM 379 O LYS A 27 3.332 -5.741 10.486 1.00 0.00 O ATOM 380 CB LYS A 27 4.241 -2.901 10.893 1.00 0.00 C ATOM 381 CG LYS A 27 5.397 -1.909 11.074 1.00 0.00 C ATOM 382 CD LYS A 27 5.053 -0.882 12.156 1.00 0.00 C ATOM 383 CE LYS A 27 6.178 0.148 12.285 1.00 0.00 C ATOM 384 NZ LYS A 27 5.860 1.161 13.305 1.00 0.00 N ATOM 0 H LYS A 27 3.867 -2.152 8.535 1.00 0.00 H new ATOM 0 HA LYS A 27 5.417 -4.310 9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.305 -2.354 10.784 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.147 -3.519 11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.306 -2.445 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.599 -1.400 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.118 -0.380 11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.900 -1.386 13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.108 -0.357 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.340 0.635 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.641 1.845 13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.985 1.658 13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.729 0.697 14.226 1.00 0.00 H new ATOM 398 N LYS A 28 2.528 -4.893 8.563 1.00 0.00 N ATOM 399 CA LYS A 28 1.506 -5.916 8.384 1.00 0.00 C ATOM 400 C LYS A 28 2.178 -7.221 7.935 1.00 0.00 C ATOM 401 O LYS A 28 2.902 -7.199 6.939 1.00 0.00 O ATOM 402 CB LYS A 28 0.473 -5.462 7.340 1.00 0.00 C ATOM 403 CG LYS A 28 -0.241 -4.155 7.712 1.00 0.00 C ATOM 404 CD LYS A 28 -1.205 -4.316 8.893 1.00 0.00 C ATOM 405 CE LYS A 28 -1.908 -2.984 9.167 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.859 -3.099 10.284 1.00 0.00 N ATOM 0 H LYS A 28 2.533 -4.182 7.831 1.00 0.00 H new ATOM 0 HA LYS A 28 0.986 -6.080 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.972 -5.333 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.270 -6.249 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.503 -3.398 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.793 -3.790 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.941 -5.089 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.659 -4.640 9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.166 -2.219 9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.435 -2.658 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.319 -2.180 10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.581 -3.812 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.351 -3.387 11.144 1.00 0.00 H new ATOM 420 N PRO A 29 1.958 -8.352 8.637 1.00 0.00 N ATOM 421 CA PRO A 29 2.496 -9.654 8.265 1.00 0.00 C ATOM 422 C PRO A 29 2.274 -9.974 6.786 1.00 0.00 C ATOM 423 O PRO A 29 1.142 -9.931 6.308 1.00 0.00 O ATOM 424 CB PRO A 29 1.789 -10.670 9.166 1.00 0.00 C ATOM 425 CG PRO A 29 1.510 -9.858 10.426 1.00 0.00 C ATOM 426 CD PRO A 29 1.195 -8.469 9.871 1.00 0.00 C ATOM 0 HA PRO A 29 3.577 -9.677 8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.871 -11.044 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.418 -11.536 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.673 -10.266 10.993 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.370 -9.841 11.095 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.127 -8.356 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.477 -7.691 10.581 1.00 0.00 H new ATOM 434 N GLY A 30 3.363 -10.282 6.073 1.00 0.00 N ATOM 435 CA GLY A 30 3.340 -10.605 4.658 1.00 0.00 C ATOM 436 C GLY A 30 4.088 -9.574 3.824 1.00 0.00 C ATOM 437 O GLY A 30 4.749 -9.953 2.859 1.00 0.00 O ATOM 0 H GLY A 30 4.298 -10.312 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.785 -11.588 4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.306 -10.666 4.317 1.00 0.00 H new ATOM 441 N VAL A 31 3.985 -8.286 4.180 1.00 0.00 N ATOM 442 CA VAL A 31 4.611 -7.208 3.427 1.00 0.00 C ATOM 443 C VAL A 31 6.133 -7.298 3.548 1.00 0.00 C ATOM 444 O VAL A 31 6.664 -7.361 4.656 1.00 0.00 O ATOM 445 CB VAL A 31 4.083 -5.839 3.889 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.766 -4.705 3.109 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.573 -5.755 3.649 1.00 0.00 C ATOM 0 H VAL A 31 3.464 -7.970 4.998 1.00 0.00 H new ATOM 0 HA VAL A 31 4.350 -7.315 2.374 1.00 0.00 H new ATOM 0 HB VAL A 31 4.301 -5.732 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.379 -3.745 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.842 -4.744 3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.562 -4.821 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.206 -4.783 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.366 -5.880 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.071 -6.542 4.211 1.00 0.00 H new ATOM 457 N LYS A 32 6.818 -7.299 2.399 1.00 0.00 N ATOM 458 CA LYS A 32 8.269 -7.295 2.299 1.00 0.00 C ATOM 459 C LYS A 32 8.723 -5.852 2.060 1.00 0.00 C ATOM 460 O LYS A 32 8.741 -5.067 3.007 1.00 0.00 O ATOM 461 CB LYS A 32 8.710 -8.284 1.208 1.00 0.00 C ATOM 462 CG LYS A 32 8.422 -9.728 1.650 1.00 0.00 C ATOM 463 CD LYS A 32 8.843 -10.764 0.598 1.00 0.00 C ATOM 464 CE LYS A 32 7.691 -11.203 -0.314 1.00 0.00 C ATOM 465 NZ LYS A 32 7.145 -10.095 -1.110 1.00 0.00 N ATOM 0 H LYS A 32 6.357 -7.303 1.489 1.00 0.00 H new ATOM 0 HA LYS A 32 8.746 -7.636 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.183 -8.069 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.774 -8.163 1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.947 -9.930 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.357 -9.836 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.643 -10.346 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.252 -11.639 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.042 -11.988 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.896 -11.635 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.428 -10.461 -1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.708 -9.395 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.912 -9.644 -1.648 1.00 0.00 H new ATOM 479 N SER A 33 9.076 -5.489 0.819 1.00 0.00 N ATOM 480 CA SER A 33 9.442 -4.123 0.465 1.00 0.00 C ATOM 481 C SER A 33 8.202 -3.338 0.031 1.00 0.00 C ATOM 482 O SER A 33 7.207 -3.921 -0.400 1.00 0.00 O ATOM 483 CB SER A 33 10.521 -4.120 -0.624 1.00 0.00 C ATOM 484 OG SER A 33 10.022 -4.638 -1.837 1.00 0.00 O ATOM 0 H SER A 33 9.114 -6.141 0.035 1.00 0.00 H new ATOM 0 HA SER A 33 9.860 -3.630 1.343 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.881 -3.103 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.374 -4.713 -0.296 1.00 0.00 H new ATOM 0 HG SER A 33 10.194 -5.602 -1.876 1.00 0.00 H new ATOM 490 N ILE A 34 8.269 -2.008 0.159 1.00 0.00 N ATOM 491 CA ILE A 34 7.186 -1.100 -0.185 1.00 0.00 C ATOM 492 C ILE A 34 7.760 0.251 -0.622 1.00 0.00 C ATOM 493 O ILE A 34 8.772 0.697 -0.082 1.00 0.00 O ATOM 494 CB ILE A 34 6.197 -0.983 0.992 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.122 0.073 0.680 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.913 -0.667 2.313 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.894 -0.041 1.586 1.00 0.00 C ATOM 0 H ILE A 34 9.098 -1.530 0.513 1.00 0.00 H new ATOM 0 HA ILE A 34 6.621 -1.494 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 34 5.712 -1.951 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.555 1.068 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.811 -0.029 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.179 -0.593 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.622 -1.462 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.446 0.279 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.171 0.730 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.439 -1.024 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.195 0.090 2.625 1.00 0.00 H new ATOM 509 N ARG A 35 7.102 0.893 -1.597 1.00 0.00 N ATOM 510 CA ARG A 35 7.405 2.243 -2.045 1.00 0.00 C ATOM 511 C ARG A 35 6.092 2.979 -2.319 1.00 0.00 C ATOM 512 O ARG A 35 5.406 2.675 -3.296 1.00 0.00 O ATOM 513 CB ARG A 35 8.303 2.190 -3.288 1.00 0.00 C ATOM 514 CG ARG A 35 8.703 3.574 -3.827 1.00 0.00 C ATOM 515 CD ARG A 35 9.549 4.391 -2.841 1.00 0.00 C ATOM 516 NE ARG A 35 8.721 5.138 -1.879 1.00 0.00 N ATOM 517 CZ ARG A 35 8.941 5.271 -0.559 1.00 0.00 C ATOM 518 NH1 ARG A 35 9.969 4.667 0.054 1.00 0.00 N ATOM 519 NH2 ARG A 35 8.104 6.026 0.165 1.00 0.00 N ATOM 0 H ARG A 35 6.325 0.469 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 35 7.950 2.788 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.206 1.629 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.786 1.640 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.261 3.447 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.801 4.135 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.218 3.722 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.176 5.089 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 35 7.894 5.603 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.613 4.086 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.107 4.789 1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.315 6.489 -0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.256 6.138 1.167 1.00 0.00 H new ATOM 533 N VAL A 36 5.752 3.944 -1.456 1.00 0.00 N ATOM 534 CA VAL A 36 4.600 4.826 -1.609 1.00 0.00 C ATOM 535 C VAL A 36 5.079 6.154 -2.206 1.00 0.00 C ATOM 536 O VAL A 36 6.167 6.619 -1.869 1.00 0.00 O ATOM 537 CB VAL A 36 3.879 4.985 -0.256 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.617 5.848 -0.390 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.460 3.619 0.305 1.00 0.00 C ATOM 0 H VAL A 36 6.289 4.134 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 36 3.866 4.404 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 36 4.585 5.470 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.134 5.939 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.890 6.838 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.929 5.380 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.953 3.758 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.784 3.129 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.344 2.999 0.450 1.00 0.00 H new ATOM 549 N SER A 37 4.285 6.751 -3.106 1.00 0.00 N ATOM 550 CA SER A 37 4.666 7.940 -3.862 1.00 0.00 C ATOM 551 C SER A 37 3.525 8.956 -3.891 1.00 0.00 C ATOM 552 O SER A 37 2.416 8.628 -4.311 1.00 0.00 O ATOM 553 CB SER A 37 5.046 7.528 -5.288 1.00 0.00 C ATOM 554 OG SER A 37 5.335 8.666 -6.076 1.00 0.00 O ATOM 0 H SER A 37 3.349 6.413 -3.328 1.00 0.00 H new ATOM 0 HA SER A 37 5.521 8.411 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.913 6.867 -5.262 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.229 6.965 -5.739 1.00 0.00 H new ATOM 0 HG SER A 37 6.295 8.695 -6.269 1.00 0.00 H new ATOM 560 N LEU A 38 3.821 10.194 -3.471 1.00 0.00 N ATOM 561 CA LEU A 38 2.928 11.341 -3.578 1.00 0.00 C ATOM 562 C LEU A 38 2.701 11.653 -5.059 1.00 0.00 C ATOM 563 O LEU A 38 1.561 11.686 -5.518 1.00 0.00 O ATOM 564 CB LEU A 38 3.553 12.533 -2.824 1.00 0.00 C ATOM 565 CG LEU A 38 2.645 13.743 -2.537 1.00 0.00 C ATOM 566 CD1 LEU A 38 2.197 14.497 -3.794 1.00 0.00 C ATOM 567 CD2 LEU A 38 1.430 13.370 -1.681 1.00 0.00 C ATOM 0 H LEU A 38 4.715 10.424 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 38 1.959 11.130 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.936 12.166 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.410 12.884 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 38 3.275 14.426 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.561 15.335 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.072 14.870 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.639 13.823 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.821 14.257 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.836 12.619 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.768 12.968 -0.726 1.00 0.00 H new ATOM 579 N ALA A 39 3.800 11.867 -5.795 1.00 0.00 N ATOM 580 CA ALA A 39 3.808 12.246 -7.203 1.00 0.00 C ATOM 581 C ALA A 39 2.930 11.329 -8.055 1.00 0.00 C ATOM 582 O ALA A 39 2.130 11.816 -8.852 1.00 0.00 O ATOM 583 CB ALA A 39 5.250 12.246 -7.718 1.00 0.00 C ATOM 0 H ALA A 39 4.739 11.776 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 39 3.386 13.248 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.260 12.529 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.841 12.960 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.676 11.249 -7.606 1.00 0.00 H new ATOM 589 N ASN A 40 3.071 10.010 -7.879 1.00 0.00 N ATOM 590 CA ASN A 40 2.307 9.021 -8.630 1.00 0.00 C ATOM 591 C ASN A 40 0.987 8.673 -7.930 1.00 0.00 C ATOM 592 O ASN A 40 0.154 7.995 -8.529 1.00 0.00 O ATOM 593 CB ASN A 40 3.158 7.765 -8.847 1.00 0.00 C ATOM 594 CG ASN A 40 4.410 8.053 -9.673 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.382 7.966 -10.897 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.515 8.393 -9.006 1.00 0.00 N ATOM 0 H ASN A 40 3.722 9.602 -7.208 1.00 0.00 H new ATOM 0 HA ASN A 40 2.052 9.451 -9.599 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.449 7.354 -7.880 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.560 7.005 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.377 8.591 -9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.498 8.454 -7.988 1.00 0.00 H new ATOM 603 N SER A 41 0.788 9.135 -6.685 1.00 0.00 N ATOM 604 CA SER A 41 -0.423 8.938 -5.896 1.00 0.00 C ATOM 605 C SER A 41 -0.799 7.457 -5.836 1.00 0.00 C ATOM 606 O SER A 41 -1.911 7.073 -6.197 1.00 0.00 O ATOM 607 CB SER A 41 -1.553 9.828 -6.430 1.00 0.00 C ATOM 608 OG SER A 41 -1.206 11.189 -6.277 1.00 0.00 O ATOM 0 H SER A 41 1.497 9.675 -6.189 1.00 0.00 H new ATOM 0 HA SER A 41 -0.239 9.245 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.736 9.606 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.478 9.617 -5.894 1.00 0.00 H new ATOM 0 HG SER A 41 -0.267 11.259 -6.005 1.00 0.00 H new ATOM 614 N ASN A 42 0.149 6.625 -5.390 1.00 0.00 N ATOM 615 CA ASN A 42 -0.003 5.179 -5.369 1.00 0.00 C ATOM 616 C ASN A 42 0.958 4.539 -4.366 1.00 0.00 C ATOM 617 O ASN A 42 1.809 5.216 -3.788 1.00 0.00 O ATOM 618 CB ASN A 42 0.167 4.601 -6.787 1.00 0.00 C ATOM 619 CG ASN A 42 1.579 4.732 -7.361 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.481 5.281 -6.734 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.776 4.214 -8.575 1.00 0.00 N ATOM 0 H ASN A 42 1.048 6.946 -5.032 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.012 4.939 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.109 3.547 -6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.532 5.103 -7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.698 4.268 -9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.005 3.765 -9.069 1.00 0.00 H new ATOM 628 N GLY A 43 0.804 3.224 -4.180 1.00 0.00 N ATOM 629 CA GLY A 43 1.626 2.388 -3.327 1.00 0.00 C ATOM 630 C GLY A 43 1.958 1.094 -4.059 1.00 0.00 C ATOM 631 O GLY A 43 1.053 0.339 -4.408 1.00 0.00 O ATOM 0 H GLY A 43 0.065 2.698 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.543 2.913 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.100 2.169 -2.398 1.00 0.00 H new ATOM 635 N THR A 44 3.256 0.846 -4.275 1.00 0.00 N ATOM 636 CA THR A 44 3.779 -0.383 -4.854 1.00 0.00 C ATOM 637 C THR A 44 4.268 -1.239 -3.690 1.00 0.00 C ATOM 638 O THR A 44 5.184 -0.829 -2.980 1.00 0.00 O ATOM 639 CB THR A 44 4.914 -0.049 -5.833 1.00 0.00 C ATOM 640 OG1 THR A 44 4.395 0.724 -6.896 1.00 0.00 O ATOM 641 CG2 THR A 44 5.558 -1.317 -6.406 1.00 0.00 C ATOM 0 H THR A 44 3.987 1.519 -4.043 1.00 0.00 H new ATOM 0 HA THR A 44 3.021 -0.925 -5.420 1.00 0.00 H new ATOM 0 HB THR A 44 5.679 0.505 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.115 0.942 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.357 -1.040 -7.094 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.970 -1.915 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.805 -1.899 -6.938 1.00 0.00 H new ATOM 649 N VAL A 45 3.640 -2.403 -3.486 1.00 0.00 N ATOM 650 CA VAL A 45 3.832 -3.238 -2.309 1.00 0.00 C ATOM 651 C VAL A 45 4.174 -4.664 -2.740 1.00 0.00 C ATOM 652 O VAL A 45 3.392 -5.291 -3.454 1.00 0.00 O ATOM 653 CB VAL A 45 2.554 -3.229 -1.445 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.841 -3.878 -0.084 1.00 0.00 C ATOM 655 CG2 VAL A 45 2.008 -1.812 -1.224 1.00 0.00 C ATOM 0 H VAL A 45 2.972 -2.793 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 45 4.656 -2.842 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 45 1.797 -3.797 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.935 -3.869 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.167 -4.907 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.625 -3.319 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.109 -1.860 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.760 -1.207 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.767 -1.361 -2.186 1.00 0.00 H new ATOM 665 N GLU A 46 5.327 -5.176 -2.291 1.00 0.00 N ATOM 666 CA GLU A 46 5.687 -6.581 -2.418 1.00 0.00 C ATOM 667 C GLU A 46 5.176 -7.295 -1.169 1.00 0.00 C ATOM 668 O GLU A 46 5.352 -6.786 -0.064 1.00 0.00 O ATOM 669 CB GLU A 46 7.202 -6.749 -2.564 1.00 0.00 C ATOM 670 CG GLU A 46 7.714 -6.107 -3.859 1.00 0.00 C ATOM 671 CD GLU A 46 9.164 -6.473 -4.171 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.818 -7.072 -3.288 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.596 -6.145 -5.297 1.00 0.00 O ATOM 0 H GLU A 46 6.040 -4.614 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 46 5.237 -7.009 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.704 -6.297 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.454 -7.809 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.079 -6.419 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.627 -5.023 -3.780 1.00 0.00 H new ATOM 680 N TYR A 47 4.531 -8.456 -1.340 1.00 0.00 N ATOM 681 CA TYR A 47 3.838 -9.141 -0.259 1.00 0.00 C ATOM 682 C TYR A 47 3.828 -10.659 -0.448 1.00 0.00 C ATOM 683 O TYR A 47 4.153 -11.159 -1.524 1.00 0.00 O ATOM 684 CB TYR A 47 2.406 -8.601 -0.153 1.00 0.00 C ATOM 685 CG TYR A 47 1.496 -9.038 -1.289 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.624 -8.454 -2.562 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.531 -10.042 -1.078 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.830 -8.906 -3.629 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.276 -10.478 -2.142 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.118 -9.921 -3.421 1.00 0.00 C ATOM 691 OH TYR A 47 -0.881 -10.367 -4.460 1.00 0.00 O ATOM 0 H TYR A 47 4.479 -8.941 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 47 4.377 -8.944 0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.974 -8.929 0.792 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.440 -7.512 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.335 -7.656 -2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.411 -10.477 -0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.949 -8.472 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.020 -11.243 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.485 -11.071 -4.144 1.00 0.00 H new ATOM 701 N ASP A 48 3.434 -11.377 0.613 1.00 0.00 N ATOM 702 CA ASP A 48 3.187 -12.813 0.610 1.00 0.00 C ATOM 703 C ASP A 48 1.670 -13.064 0.592 1.00 0.00 C ATOM 704 O ASP A 48 1.013 -12.787 1.595 1.00 0.00 O ATOM 705 CB ASP A 48 3.827 -13.439 1.859 1.00 0.00 C ATOM 706 CG ASP A 48 3.626 -14.953 1.979 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.018 -15.551 1.064 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.091 -15.495 3.004 1.00 0.00 O ATOM 0 H ASP A 48 3.275 -10.952 1.526 1.00 0.00 H new ATOM 0 HA ASP A 48 3.629 -13.270 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.896 -13.226 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.413 -12.958 2.745 1.00 0.00 H new ATOM 713 N PRO A 49 1.114 -13.603 -0.511 1.00 0.00 N ATOM 714 CA PRO A 49 -0.271 -14.053 -0.627 1.00 0.00 C ATOM 715 C PRO A 49 -0.808 -14.833 0.576 1.00 0.00 C ATOM 716 O PRO A 49 -1.972 -14.673 0.939 1.00 0.00 O ATOM 717 CB PRO A 49 -0.315 -14.912 -1.890 1.00 0.00 C ATOM 718 CG PRO A 49 0.727 -14.239 -2.775 1.00 0.00 C ATOM 719 CD PRO A 49 1.802 -13.822 -1.773 1.00 0.00 C ATOM 0 HA PRO A 49 -0.921 -13.179 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.063 -15.952 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.303 -14.909 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.119 -14.922 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.314 -13.381 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.563 -14.596 -1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.311 -12.916 -2.102 1.00 0.00 H new ATOM 727 N LEU A 50 0.026 -15.683 1.187 1.00 0.00 N ATOM 728 CA LEU A 50 -0.373 -16.522 2.309 1.00 0.00 C ATOM 729 C LEU A 50 -0.764 -15.687 3.533 1.00 0.00 C ATOM 730 O LEU A 50 -1.670 -16.075 4.268 1.00 0.00 O ATOM 731 CB LEU A 50 0.762 -17.490 2.678 1.00 0.00 C ATOM 732 CG LEU A 50 1.224 -18.403 1.528 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.410 -19.245 2.012 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.104 -19.332 1.045 1.00 0.00 C ATOM 0 H LEU A 50 1.000 -15.804 0.911 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.250 -17.090 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.616 -16.911 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.434 -18.113 3.510 1.00 0.00 H new ATOM 0 HG LEU A 50 1.513 -17.771 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.747 -19.897 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.226 -18.587 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.102 -19.851 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.475 -19.958 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.225 -19.964 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.735 -18.735 0.688 1.00 0.00 H new ATOM 746 N LEU A 51 -0.075 -14.561 3.758 1.00 0.00 N ATOM 747 CA LEU A 51 -0.199 -13.756 4.968 1.00 0.00 C ATOM 748 C LEU A 51 -1.055 -12.504 4.750 1.00 0.00 C ATOM 749 O LEU A 51 -1.702 -12.050 5.692 1.00 0.00 O ATOM 750 CB LEU A 51 1.203 -13.397 5.478 1.00 0.00 C ATOM 751 CG LEU A 51 2.050 -14.622 5.870 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.470 -14.167 6.222 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.458 -15.377 7.068 1.00 0.00 C ATOM 0 H LEU A 51 0.595 -14.182 3.089 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.719 -14.346 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.728 -12.835 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.109 -12.740 6.342 1.00 0.00 H new ATOM 0 HG LEU A 51 2.060 -15.300 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.071 -15.033 6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.919 -13.675 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.432 -13.469 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.090 -16.232 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.408 -14.711 7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.455 -15.725 6.820 1.00 0.00 H new ATOM 765 N THR A 52 -1.073 -11.944 3.532 1.00 0.00 N ATOM 766 CA THR A 52 -1.898 -10.788 3.191 1.00 0.00 C ATOM 767 C THR A 52 -2.271 -10.833 1.706 1.00 0.00 C ATOM 768 O THR A 52 -1.780 -11.686 0.973 1.00 0.00 O ATOM 769 CB THR A 52 -1.178 -9.488 3.590 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.063 -8.390 3.505 1.00 0.00 O ATOM 771 CG2 THR A 52 0.049 -9.207 2.718 1.00 0.00 C ATOM 0 H THR A 52 -0.510 -12.287 2.754 1.00 0.00 H new ATOM 0 HA THR A 52 -2.831 -10.816 3.754 1.00 0.00 H new ATOM 0 HB THR A 52 -0.839 -9.622 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.593 -7.570 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.520 -8.279 3.041 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.760 -10.028 2.815 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.258 -9.114 1.676 1.00 0.00 H new ATOM 779 N SER A 53 -3.144 -9.918 1.269 1.00 0.00 N ATOM 780 CA SER A 53 -3.652 -9.846 -0.097 1.00 0.00 C ATOM 781 C SER A 53 -3.775 -8.381 -0.532 1.00 0.00 C ATOM 782 O SER A 53 -3.794 -7.502 0.330 1.00 0.00 O ATOM 783 CB SER A 53 -5.011 -10.557 -0.167 1.00 0.00 C ATOM 784 OG SER A 53 -6.013 -9.786 0.464 1.00 0.00 O ATOM 0 H SER A 53 -3.524 -9.190 1.875 1.00 0.00 H new ATOM 0 HA SER A 53 -2.960 -10.343 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.282 -10.732 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.941 -11.533 0.312 1.00 0.00 H new ATOM 0 HG SER A 53 -6.871 -10.256 0.407 1.00 0.00 H new ATOM 790 N PRO A 54 -3.882 -8.089 -1.842 1.00 0.00 N ATOM 791 CA PRO A 54 -4.111 -6.740 -2.344 1.00 0.00 C ATOM 792 C PRO A 54 -5.321 -6.077 -1.682 1.00 0.00 C ATOM 793 O PRO A 54 -5.267 -4.898 -1.347 1.00 0.00 O ATOM 794 CB PRO A 54 -4.304 -6.883 -3.857 1.00 0.00 C ATOM 795 CG PRO A 54 -3.535 -8.159 -4.182 1.00 0.00 C ATOM 796 CD PRO A 54 -3.809 -9.023 -2.954 1.00 0.00 C ATOM 0 HA PRO A 54 -3.268 -6.090 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.358 -6.968 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.907 -6.024 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.894 -8.628 -5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.470 -7.969 -4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.740 -9.579 -3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.016 -9.755 -2.802 1.00 0.00 H new ATOM 804 N GLU A 55 -6.402 -6.843 -1.488 1.00 0.00 N ATOM 805 CA GLU A 55 -7.628 -6.378 -0.858 1.00 0.00 C ATOM 806 C GLU A 55 -7.395 -5.999 0.607 1.00 0.00 C ATOM 807 O GLU A 55 -7.916 -4.984 1.062 1.00 0.00 O ATOM 808 CB GLU A 55 -8.715 -7.452 -0.977 1.00 0.00 C ATOM 809 CG GLU A 55 -9.065 -7.736 -2.443 1.00 0.00 C ATOM 810 CD GLU A 55 -10.217 -8.731 -2.545 1.00 0.00 C ATOM 811 OE1 GLU A 55 -11.376 -8.261 -2.527 1.00 0.00 O ATOM 812 OE2 GLU A 55 -9.919 -9.941 -2.636 1.00 0.00 O ATOM 0 H GLU A 55 -6.442 -7.822 -1.773 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.960 -5.479 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.375 -8.370 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.609 -7.127 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.337 -6.806 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.191 -8.132 -2.960 1.00 0.00 H new ATOM 819 N THR A 56 -6.618 -6.803 1.345 1.00 0.00 N ATOM 820 CA THR A 56 -6.275 -6.519 2.734 1.00 0.00 C ATOM 821 C THR A 56 -5.465 -5.223 2.829 1.00 0.00 C ATOM 822 O THR A 56 -5.772 -4.360 3.649 1.00 0.00 O ATOM 823 CB THR A 56 -5.494 -7.700 3.331 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.199 -8.905 3.119 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.254 -7.525 4.834 1.00 0.00 C ATOM 0 H THR A 56 -6.212 -7.669 0.990 1.00 0.00 H new ATOM 0 HA THR A 56 -7.192 -6.385 3.308 1.00 0.00 H new ATOM 0 HB THR A 56 -4.527 -7.733 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.070 -9.201 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.699 -8.382 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.680 -6.614 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.212 -7.454 5.350 1.00 0.00 H new ATOM 833 N LEU A 57 -4.432 -5.095 1.987 1.00 0.00 N ATOM 834 CA LEU A 57 -3.547 -3.938 1.950 1.00 0.00 C ATOM 835 C LEU A 57 -4.339 -2.674 1.610 1.00 0.00 C ATOM 836 O LEU A 57 -4.223 -1.667 2.307 1.00 0.00 O ATOM 837 CB LEU A 57 -2.417 -4.188 0.939 1.00 0.00 C ATOM 838 CG LEU A 57 -1.506 -5.364 1.339 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.658 -5.796 0.137 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.586 -5.001 2.508 1.00 0.00 C ATOM 0 H LEU A 57 -4.188 -5.810 1.302 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.099 -3.788 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.850 -4.387 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.815 -3.284 0.843 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.148 -6.185 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.015 -6.628 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.313 -6.108 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.042 -4.959 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.040 -5.858 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.047 -4.160 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.189 -4.727 3.374 1.00 0.00 H new ATOM 852 N ARG A 58 -5.162 -2.740 0.557 1.00 0.00 N ATOM 853 CA ARG A 58 -6.105 -1.693 0.190 1.00 0.00 C ATOM 854 C ARG A 58 -6.971 -1.319 1.393 1.00 0.00 C ATOM 855 O ARG A 58 -7.115 -0.139 1.692 1.00 0.00 O ATOM 856 CB ARG A 58 -6.965 -2.174 -0.984 1.00 0.00 C ATOM 857 CG ARG A 58 -8.000 -1.125 -1.412 1.00 0.00 C ATOM 858 CD ARG A 58 -8.843 -1.616 -2.594 1.00 0.00 C ATOM 859 NE ARG A 58 -9.444 -2.933 -2.340 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.452 -3.179 -1.487 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.048 -2.184 -0.812 1.00 0.00 N ATOM 862 NH2 ARG A 58 -10.869 -4.439 -1.307 1.00 0.00 N ATOM 0 H ARG A 58 -5.187 -3.542 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.561 -0.800 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.321 -2.413 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.477 -3.094 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.653 -0.892 -0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.491 -0.201 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.632 -0.893 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.218 -1.670 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.064 -3.727 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.737 -1.221 -0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.812 -2.390 -0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.422 -5.202 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.634 -4.636 -0.661 1.00 0.00 H new ATOM 876 N GLY A 59 -7.533 -2.322 2.078 1.00 0.00 N ATOM 877 CA GLY A 59 -8.365 -2.153 3.259 1.00 0.00 C ATOM 878 C GLY A 59 -7.661 -1.348 4.353 1.00 0.00 C ATOM 879 O GLY A 59 -8.257 -0.433 4.918 1.00 0.00 O ATOM 0 H GLY A 59 -7.413 -3.299 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.291 -1.650 2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.639 -3.132 3.651 1.00 0.00 H new ATOM 883 N ALA A 60 -6.399 -1.681 4.650 1.00 0.00 N ATOM 884 CA ALA A 60 -5.603 -0.983 5.651 1.00 0.00 C ATOM 885 C ALA A 60 -5.437 0.495 5.286 1.00 0.00 C ATOM 886 O ALA A 60 -5.684 1.369 6.114 1.00 0.00 O ATOM 887 CB ALA A 60 -4.243 -1.670 5.810 1.00 0.00 C ATOM 0 H ALA A 60 -5.904 -2.448 4.196 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.126 -1.027 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.654 -1.142 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.392 -2.702 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.714 -1.655 4.857 1.00 0.00 H new ATOM 893 N ILE A 61 -5.031 0.774 4.043 1.00 0.00 N ATOM 894 CA ILE A 61 -4.842 2.134 3.549 1.00 0.00 C ATOM 895 C ILE A 61 -6.171 2.901 3.603 1.00 0.00 C ATOM 896 O ILE A 61 -6.205 4.063 4.004 1.00 0.00 O ATOM 897 CB ILE A 61 -4.256 2.100 2.124 1.00 0.00 C ATOM 898 CG1 ILE A 61 -2.900 1.369 2.078 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.073 3.534 1.608 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.566 0.854 0.674 1.00 0.00 C ATOM 0 H ILE A 61 -4.824 0.055 3.350 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.131 2.660 4.186 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.956 1.554 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.113 2.046 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.917 0.532 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.659 3.508 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.038 4.040 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.392 4.074 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.602 0.346 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.337 0.156 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.521 1.693 -0.020 1.00 0.00 H new ATOM 912 N GLU A 62 -7.267 2.247 3.205 1.00 0.00 N ATOM 913 CA GLU A 62 -8.606 2.812 3.199 1.00 0.00 C ATOM 914 C GLU A 62 -9.028 3.211 4.615 1.00 0.00 C ATOM 915 O GLU A 62 -9.558 4.303 4.813 1.00 0.00 O ATOM 916 CB GLU A 62 -9.577 1.806 2.568 1.00 0.00 C ATOM 917 CG GLU A 62 -10.937 2.428 2.242 1.00 0.00 C ATOM 918 CD GLU A 62 -11.827 1.421 1.517 1.00 0.00 C ATOM 919 OE1 GLU A 62 -11.509 1.117 0.347 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.807 0.968 2.147 1.00 0.00 O ATOM 0 H GLU A 62 -7.239 1.284 2.870 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.621 3.721 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.137 1.405 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.719 0.967 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.423 2.756 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.799 3.313 1.621 1.00 0.00 H new ATOM 927 N ASP A 63 -8.773 2.333 5.594 1.00 0.00 N ATOM 928 CA ASP A 63 -9.051 2.572 7.004 1.00 0.00 C ATOM 929 C ASP A 63 -8.305 3.808 7.518 1.00 0.00 C ATOM 930 O ASP A 63 -8.867 4.578 8.295 1.00 0.00 O ATOM 931 CB ASP A 63 -8.698 1.323 7.820 1.00 0.00 C ATOM 932 CG ASP A 63 -9.004 1.514 9.303 1.00 0.00 C ATOM 933 OD1 ASP A 63 -10.197 1.396 9.657 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.040 1.776 10.056 1.00 0.00 O ATOM 0 H ASP A 63 -8.358 1.418 5.417 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.116 2.774 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.259 0.469 7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.640 1.092 7.693 1.00 0.00 H new ATOM 939 N MET A 64 -7.054 4.012 7.078 1.00 0.00 N ATOM 940 CA MET A 64 -6.275 5.200 7.418 1.00 0.00 C ATOM 941 C MET A 64 -6.844 6.488 6.798 1.00 0.00 C ATOM 942 O MET A 64 -6.373 7.574 7.133 1.00 0.00 O ATOM 943 CB MET A 64 -4.804 5.003 7.033 1.00 0.00 C ATOM 944 CG MET A 64 -4.136 3.925 7.893 1.00 0.00 C ATOM 945 SD MET A 64 -2.395 3.616 7.500 1.00 0.00 S ATOM 946 CE MET A 64 -1.669 5.177 8.066 1.00 0.00 C ATOM 0 H MET A 64 -6.559 3.354 6.476 1.00 0.00 H new ATOM 0 HA MET A 64 -6.344 5.327 8.498 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.737 4.724 5.981 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.268 5.945 7.148 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.212 4.216 8.941 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.691 2.994 7.780 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.585 5.077 8.115 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.929 5.973 7.368 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.056 5.421 9.055 1.00 0.00 H new ATOM 956 N GLY A 65 -7.853 6.388 5.922 1.00 0.00 N ATOM 957 CA GLY A 65 -8.612 7.525 5.426 1.00 0.00 C ATOM 958 C GLY A 65 -8.051 8.037 4.105 1.00 0.00 C ATOM 959 O GLY A 65 -7.701 9.211 3.997 1.00 0.00 O ATOM 0 H GLY A 65 -8.163 5.496 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.655 7.237 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.594 8.326 6.165 1.00 0.00 H new ATOM 963 N PHE A 66 -7.982 7.153 3.102 1.00 0.00 N ATOM 964 CA PHE A 66 -7.578 7.488 1.744 1.00 0.00 C ATOM 965 C PHE A 66 -8.450 6.727 0.748 1.00 0.00 C ATOM 966 O PHE A 66 -9.007 5.679 1.074 1.00 0.00 O ATOM 967 CB PHE A 66 -6.098 7.152 1.536 1.00 0.00 C ATOM 968 CG PHE A 66 -5.164 7.916 2.452 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.751 9.216 2.107 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.723 7.339 3.657 1.00 0.00 C ATOM 971 CE1 PHE A 66 -3.937 9.953 2.985 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.913 8.075 4.535 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.530 9.387 4.206 1.00 0.00 C ATOM 0 H PHE A 66 -8.212 6.166 3.221 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.711 8.558 1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.952 6.083 1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.829 7.362 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.060 9.648 1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.008 6.328 3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.625 10.953 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.584 7.633 5.464 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.923 9.960 4.891 1.00 0.00 H new ATOM 983 N ASP A 67 -8.557 7.256 -0.473 1.00 0.00 N ATOM 984 CA ASP A 67 -9.279 6.624 -1.565 1.00 0.00 C ATOM 985 C ASP A 67 -8.363 5.570 -2.186 1.00 0.00 C ATOM 986 O ASP A 67 -7.630 5.858 -3.133 1.00 0.00 O ATOM 987 CB ASP A 67 -9.713 7.689 -2.578 1.00 0.00 C ATOM 988 CG ASP A 67 -10.643 8.724 -1.951 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.851 8.418 -1.853 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.128 9.801 -1.579 1.00 0.00 O ATOM 0 H ASP A 67 -8.136 8.149 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.186 6.133 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.832 8.189 -2.980 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.217 7.209 -3.417 1.00 0.00 H new ATOM 995 N ALA A 68 -8.406 4.353 -1.628 1.00 0.00 N ATOM 996 CA ALA A 68 -7.534 3.249 -1.995 1.00 0.00 C ATOM 997 C ALA A 68 -8.270 2.303 -2.946 1.00 0.00 C ATOM 998 O ALA A 68 -9.333 1.791 -2.598 1.00 0.00 O ATOM 999 CB ALA A 68 -7.084 2.519 -0.727 1.00 0.00 C ATOM 0 H ALA A 68 -9.068 4.111 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.651 3.626 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.430 1.690 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.545 3.211 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.957 2.135 -0.199 1.00 0.00 H new ATOM 1005 N THR A 69 -7.705 2.081 -4.141 1.00 0.00 N ATOM 1006 CA THR A 69 -8.290 1.253 -5.193 1.00 0.00 C ATOM 1007 C THR A 69 -7.162 0.525 -5.924 1.00 0.00 C ATOM 1008 O THR A 69 -6.141 1.136 -6.220 1.00 0.00 O ATOM 1009 CB THR A 69 -9.091 2.143 -6.158 1.00 0.00 C ATOM 1010 OG1 THR A 69 -10.096 2.836 -5.446 1.00 0.00 O ATOM 1011 CG2 THR A 69 -9.758 1.325 -7.269 1.00 0.00 C ATOM 0 H THR A 69 -6.806 2.485 -4.405 1.00 0.00 H new ATOM 0 HA THR A 69 -8.971 0.515 -4.768 1.00 0.00 H new ATOM 0 HB THR A 69 -8.389 2.841 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.603 3.403 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.313 1.992 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.994 0.800 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.441 0.600 -6.827 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.333 -0.770 -6.217 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.297 -1.583 -6.846 1.00 0.00 C ATOM 1021 C LEU A 70 -5.961 -1.075 -8.252 1.00 0.00 C ATOM 1022 O LEU A 70 -6.865 -0.756 -9.023 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.741 -3.052 -6.937 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.178 -3.689 -5.607 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.513 -5.167 -5.839 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.090 -3.587 -4.534 1.00 0.00 C ATOM 0 H LEU A 70 -8.195 -1.279 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.406 -1.507 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.568 -3.122 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.920 -3.638 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.053 -3.144 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.823 -5.622 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.322 -5.247 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.632 -5.684 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.443 -4.050 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.192 -4.100 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.860 -2.538 -4.348 1.00 0.00 H new