USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 522 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 65 SER OG : rot 112:sc= 1.14 USER MOD Set 1.2: A 69 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 37 SER OG : rot 74:sc= 1.22 USER MOD Set 2.2: A 42 SER OG : rot 71:sc= 0.351 USER MOD Set 3.1: A 14 CYS SG : rot 180:sc=-0.00127 USER MOD Set 3.2: A 15 LYS NZ :NH3+ 150:sc= 2.4 (180deg=1.25) USER MOD Set 4.1: A 12 MET CE :methyl 180:sc= -0.044 (180deg=-0.044) USER MOD Set 4.2: A 17 CYS SG : rot 155:sc= -1.75 USER MOD Set 5.1: A 3 SER OG : rot -137:sc= 0.345 USER MOD Set 5.2: A 47 TYR OH : rot 180:sc= 0.126 USER MOD Single : A 4 THR OG1 : rot 32:sc= 0.792 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.22) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00935 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 23 SER OG : rot 82:sc= 1.23 USER MOD Single : A 24 THR OG1 : rot 81:sc= 0.814 USER MOD Single : A 26 SER OG : rot -53:sc= 0.822 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 52:sc= 1.21 USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= 1.2 (180deg=1.16) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.479 -12.207 -6.248 1.00 0.00 N ATOM 16 CA ASP A 2 -10.120 -11.038 -5.451 1.00 0.00 C ATOM 17 C ASP A 2 -9.919 -9.754 -6.282 1.00 0.00 C ATOM 18 O ASP A 2 -9.853 -9.758 -7.509 1.00 0.00 O ATOM 19 CB ASP A 2 -8.917 -11.332 -4.501 1.00 0.00 C ATOM 20 CG ASP A 2 -7.917 -12.476 -4.805 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.094 -13.257 -5.773 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.975 -12.588 -3.988 1.00 0.00 O ATOM 0 HA ASP A 2 -10.986 -10.831 -4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.336 -10.412 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.332 -11.526 -3.512 1.00 0.00 H new ATOM 27 N SER A 3 -9.845 -8.624 -5.579 1.00 0.00 N ATOM 28 CA SER A 3 -9.594 -7.296 -6.138 1.00 0.00 C ATOM 29 C SER A 3 -8.147 -6.860 -5.877 1.00 0.00 C ATOM 30 O SER A 3 -7.372 -7.536 -5.196 1.00 0.00 O ATOM 31 CB SER A 3 -10.587 -6.287 -5.544 1.00 0.00 C ATOM 32 OG SER A 3 -10.661 -5.079 -6.286 1.00 0.00 O ATOM 0 H SER A 3 -9.963 -8.608 -4.566 1.00 0.00 H new ATOM 0 HA SER A 3 -9.738 -7.335 -7.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.577 -6.742 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.296 -6.060 -4.518 1.00 0.00 H new ATOM 0 HG SER A 3 -10.680 -4.317 -5.670 1.00 0.00 H new ATOM 38 N THR A 4 -7.753 -5.709 -6.421 1.00 0.00 N ATOM 39 CA THR A 4 -6.356 -5.249 -6.454 1.00 0.00 C ATOM 40 C THR A 4 -6.295 -3.768 -6.774 1.00 0.00 C ATOM 41 O THR A 4 -7.106 -3.255 -7.539 1.00 0.00 O ATOM 42 CB THR A 4 -5.530 -6.086 -7.447 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.194 -7.284 -6.810 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.197 -5.485 -7.905 1.00 0.00 C ATOM 0 H THR A 4 -8.402 -5.056 -6.859 1.00 0.00 H new ATOM 0 HA THR A 4 -5.915 -5.391 -5.467 1.00 0.00 H new ATOM 0 HB THR A 4 -6.162 -6.173 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.906 -7.532 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.710 -6.168 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.379 -4.531 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.552 -5.328 -7.040 1.00 0.00 H new ATOM 52 N ALA A 5 -5.292 -3.098 -6.212 1.00 0.00 N ATOM 53 CA ALA A 5 -4.920 -1.726 -6.525 1.00 0.00 C ATOM 54 C ALA A 5 -3.412 -1.494 -6.319 1.00 0.00 C ATOM 55 O ALA A 5 -2.743 -2.259 -5.608 1.00 0.00 O ATOM 56 CB ALA A 5 -5.756 -0.783 -5.654 1.00 0.00 C ATOM 0 H ALA A 5 -4.694 -3.515 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.124 -1.524 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.489 0.250 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.815 -0.937 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.560 -0.990 -4.602 1.00 0.00 H new ATOM 62 N THR A 6 -2.899 -0.412 -6.919 1.00 0.00 N ATOM 63 CA THR A 6 -1.491 -0.002 -6.848 1.00 0.00 C ATOM 64 C THR A 6 -1.384 1.417 -6.322 1.00 0.00 C ATOM 65 O THR A 6 -2.144 2.296 -6.726 1.00 0.00 O ATOM 66 CB THR A 6 -0.826 -0.067 -8.220 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.043 -1.335 -8.786 1.00 0.00 O ATOM 68 CG2 THR A 6 0.684 0.144 -8.121 1.00 0.00 C ATOM 0 H THR A 6 -3.468 0.220 -7.483 1.00 0.00 H new ATOM 0 HA THR A 6 -0.983 -0.691 -6.173 1.00 0.00 H new ATOM 0 HB THR A 6 -1.261 0.722 -8.833 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.618 -1.377 -9.668 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.125 0.091 -9.117 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.887 1.122 -7.686 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.119 -0.631 -7.490 1.00 0.00 H new ATOM 76 N PHE A 7 -0.388 1.639 -5.468 1.00 0.00 N ATOM 77 CA PHE A 7 -0.171 2.889 -4.754 1.00 0.00 C ATOM 78 C PHE A 7 1.324 3.202 -4.689 1.00 0.00 C ATOM 79 O PHE A 7 2.145 2.336 -4.398 1.00 0.00 O ATOM 80 CB PHE A 7 -0.739 2.808 -3.331 1.00 0.00 C ATOM 81 CG PHE A 7 -2.146 2.244 -3.225 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.376 0.849 -3.202 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.246 3.125 -3.213 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.684 0.350 -3.198 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.552 2.616 -3.216 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.774 1.233 -3.211 1.00 0.00 C ATOM 0 H PHE A 7 0.311 0.929 -5.249 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.687 3.684 -5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.072 2.194 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.732 3.808 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.540 0.166 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.083 4.193 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.854 -0.716 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.392 3.294 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.783 0.847 -3.217 1.00 0.00 H new ATOM 96 N ILE A 8 1.706 4.451 -4.917 1.00 0.00 N ATOM 97 CA ILE A 8 3.085 4.914 -4.831 1.00 0.00 C ATOM 98 C ILE A 8 3.215 5.994 -3.778 1.00 0.00 C ATOM 99 O ILE A 8 2.390 6.899 -3.709 1.00 0.00 O ATOM 100 CB ILE A 8 3.559 5.337 -6.238 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.076 5.578 -6.235 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.806 6.548 -6.809 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.718 5.405 -7.613 1.00 0.00 C ATOM 0 H ILE A 8 1.050 5.189 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 8 3.747 4.113 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 8 3.324 4.509 -6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.276 6.586 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.545 4.888 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.195 6.785 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.744 6.314 -6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.944 7.406 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.790 5.589 -7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.548 4.389 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.274 6.113 -8.313 1.00 0.00 H new ATOM 115 N ILE A 9 4.234 5.844 -2.937 1.00 0.00 N ATOM 116 CA ILE A 9 4.502 6.689 -1.794 1.00 0.00 C ATOM 117 C ILE A 9 5.744 7.508 -2.077 1.00 0.00 C ATOM 118 O ILE A 9 6.869 7.020 -1.978 1.00 0.00 O ATOM 119 CB ILE A 9 4.759 5.856 -0.519 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.891 4.610 -0.248 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.693 6.847 0.653 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.212 3.348 -1.045 1.00 0.00 C ATOM 0 H ILE A 9 4.920 5.097 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 9 3.631 7.323 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 9 5.730 5.382 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.969 4.369 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.851 4.875 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.868 6.316 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.456 7.615 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.709 7.314 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.527 2.551 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.102 3.552 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.237 3.038 -0.839 1.00 0.00 H new ATOM 134 N ASP A 10 5.548 8.785 -2.333 1.00 0.00 N ATOM 135 CA ASP A 10 6.665 9.709 -2.387 1.00 0.00 C ATOM 136 C ASP A 10 6.972 10.231 -0.978 1.00 0.00 C ATOM 137 O ASP A 10 6.304 11.107 -0.433 1.00 0.00 O ATOM 138 CB ASP A 10 6.383 10.769 -3.442 1.00 0.00 C ATOM 139 CG ASP A 10 7.040 10.372 -4.773 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.796 9.254 -5.288 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.875 11.150 -5.277 1.00 0.00 O ATOM 0 H ASP A 10 4.635 9.205 -2.506 1.00 0.00 H new ATOM 0 HA ASP A 10 7.586 9.221 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.307 10.882 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.766 11.734 -3.111 1.00 0.00 H new ATOM 146 N GLY A 11 7.985 9.607 -0.377 1.00 0.00 N ATOM 147 CA GLY A 11 8.521 9.928 0.951 1.00 0.00 C ATOM 148 C GLY A 11 9.060 8.719 1.714 1.00 0.00 C ATOM 149 O GLY A 11 9.757 8.886 2.711 1.00 0.00 O ATOM 0 H GLY A 11 8.477 8.831 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.320 10.661 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.737 10.398 1.544 1.00 0.00 H new ATOM 153 N MET A 12 8.765 7.489 1.269 1.00 0.00 N ATOM 154 CA MET A 12 9.186 6.278 1.984 1.00 0.00 C ATOM 155 C MET A 12 10.685 5.957 1.759 1.00 0.00 C ATOM 156 O MET A 12 11.188 5.999 0.644 1.00 0.00 O ATOM 157 CB MET A 12 8.158 5.155 1.733 1.00 0.00 C ATOM 158 CG MET A 12 8.096 4.443 0.379 1.00 0.00 C ATOM 159 SD MET A 12 9.459 3.418 -0.205 1.00 0.00 S ATOM 160 CE MET A 12 8.604 1.840 -0.461 1.00 0.00 C ATOM 0 H MET A 12 8.236 7.308 0.416 1.00 0.00 H new ATOM 0 HA MET A 12 9.166 6.427 3.064 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.327 4.390 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.170 5.576 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 12 7.207 3.812 0.393 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.930 5.211 -0.376 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.314 1.096 -0.824 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.174 1.502 0.482 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.809 1.972 -1.195 1.00 0.00 H new ATOM 170 N HIS A 13 11.426 5.663 2.839 1.00 0.00 N ATOM 171 CA HIS A 13 12.904 5.557 2.926 1.00 0.00 C ATOM 172 C HIS A 13 13.592 4.380 2.178 1.00 0.00 C ATOM 173 O HIS A 13 14.481 3.718 2.716 1.00 0.00 O ATOM 174 CB HIS A 13 13.324 5.558 4.408 1.00 0.00 C ATOM 175 CG HIS A 13 13.062 6.833 5.157 1.00 0.00 C ATOM 176 ND1 HIS A 13 14.010 7.680 5.696 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.841 7.330 5.505 1.00 0.00 C ATOM 178 CE1 HIS A 13 13.368 8.654 6.355 1.00 0.00 C ATOM 179 NE2 HIS A 13 12.043 8.472 6.276 1.00 0.00 N ATOM 0 H HIS A 13 10.985 5.479 3.740 1.00 0.00 H new ATOM 0 HA HIS A 13 13.263 6.433 2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.803 4.746 4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 13 14.390 5.337 4.465 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.884 6.911 5.231 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.849 9.469 6.875 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.322 9.057 6.699 1.00 0.00 H new ATOM 187 N CYS A 14 13.181 4.104 0.941 1.00 0.00 N ATOM 188 CA CYS A 14 13.802 3.202 -0.046 1.00 0.00 C ATOM 189 C CYS A 14 13.793 1.700 0.303 1.00 0.00 C ATOM 190 O CYS A 14 13.370 0.894 -0.519 1.00 0.00 O ATOM 191 CB CYS A 14 15.232 3.684 -0.355 1.00 0.00 C ATOM 192 SG CYS A 14 15.891 2.771 -1.782 1.00 0.00 S ATOM 0 H CYS A 14 12.337 4.537 0.566 1.00 0.00 H new ATOM 0 HA CYS A 14 13.166 3.265 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.228 4.753 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.873 3.532 0.514 1.00 0.00 H new ATOM 0 HG CYS A 14 17.097 3.182 -2.041 1.00 0.00 H new ATOM 198 N LYS A 15 14.292 1.284 1.472 1.00 0.00 N ATOM 199 CA LYS A 15 14.360 -0.123 1.900 1.00 0.00 C ATOM 200 C LYS A 15 13.518 -0.409 3.155 1.00 0.00 C ATOM 201 O LYS A 15 12.559 -1.161 3.061 1.00 0.00 O ATOM 202 CB LYS A 15 15.836 -0.521 2.089 1.00 0.00 C ATOM 203 CG LYS A 15 16.744 -0.379 0.847 1.00 0.00 C ATOM 204 CD LYS A 15 16.707 -1.539 -0.167 1.00 0.00 C ATOM 205 CE LYS A 15 15.460 -1.665 -1.058 1.00 0.00 C ATOM 206 NZ LYS A 15 15.259 -0.504 -1.958 1.00 0.00 N ATOM 0 H LYS A 15 14.670 1.930 2.166 1.00 0.00 H new ATOM 0 HA LYS A 15 13.920 -0.741 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.255 0.087 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.871 -1.558 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.469 0.538 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.772 -0.256 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.577 -1.445 -0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.821 -2.472 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.542 -2.571 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.580 -1.781 -0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.780 -0.817 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.674 0.210 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.181 -0.089 -2.201 1.00 0.00 H new ATOM 220 N SER A 16 13.795 0.169 4.325 1.00 0.00 N ATOM 221 CA SER A 16 13.042 -0.128 5.568 1.00 0.00 C ATOM 222 C SER A 16 11.538 0.167 5.479 1.00 0.00 C ATOM 223 O SER A 16 10.739 -0.579 6.043 1.00 0.00 O ATOM 224 CB SER A 16 13.643 0.681 6.722 1.00 0.00 C ATOM 225 OG SER A 16 13.841 2.033 6.327 1.00 0.00 O ATOM 0 H SER A 16 14.541 0.854 4.449 1.00 0.00 H new ATOM 0 HA SER A 16 13.135 -1.201 5.734 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.981 0.641 7.587 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.593 0.241 7.027 1.00 0.00 H new ATOM 0 HG SER A 16 14.224 2.539 7.074 1.00 0.00 H new ATOM 231 N CYS A 17 11.149 1.188 4.707 1.00 0.00 N ATOM 232 CA CYS A 17 9.772 1.501 4.314 1.00 0.00 C ATOM 233 C CYS A 17 8.987 0.232 3.973 1.00 0.00 C ATOM 234 O CYS A 17 8.005 -0.073 4.643 1.00 0.00 O ATOM 235 CB CYS A 17 9.875 2.460 3.113 1.00 0.00 C ATOM 236 SG CYS A 17 11.167 1.866 1.992 1.00 0.00 S ATOM 0 H CYS A 17 11.821 1.851 4.320 1.00 0.00 H new ATOM 0 HA CYS A 17 9.223 1.968 5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.920 2.514 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.108 3.468 3.455 1.00 0.00 H new ATOM 0 HG CYS A 17 10.927 2.294 0.788 1.00 0.00 H new ATOM 242 N VAL A 18 9.495 -0.521 2.999 1.00 0.00 N ATOM 243 CA VAL A 18 8.920 -1.732 2.418 1.00 0.00 C ATOM 244 C VAL A 18 8.429 -2.678 3.504 1.00 0.00 C ATOM 245 O VAL A 18 7.255 -3.023 3.517 1.00 0.00 O ATOM 246 CB VAL A 18 9.976 -2.458 1.542 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.528 -3.840 1.053 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.431 -1.558 0.375 1.00 0.00 C ATOM 0 H VAL A 18 10.386 -0.282 2.563 1.00 0.00 H new ATOM 0 HA VAL A 18 8.072 -1.438 1.800 1.00 0.00 H new ATOM 0 HB VAL A 18 10.833 -2.647 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.318 -4.285 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.323 -4.481 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.624 -3.738 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.171 -2.087 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.572 -1.306 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.872 -0.644 0.771 1.00 0.00 H new ATOM 258 N SER A 19 9.299 -3.030 4.449 1.00 0.00 N ATOM 259 CA SER A 19 8.976 -4.011 5.489 1.00 0.00 C ATOM 260 C SER A 19 7.844 -3.529 6.407 1.00 0.00 C ATOM 261 O SER A 19 7.062 -4.352 6.884 1.00 0.00 O ATOM 262 CB SER A 19 10.251 -4.273 6.304 1.00 0.00 C ATOM 263 OG SER A 19 10.052 -5.263 7.297 1.00 0.00 O ATOM 0 H SER A 19 10.242 -2.647 4.517 1.00 0.00 H new ATOM 0 HA SER A 19 8.623 -4.927 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.051 -4.587 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.576 -3.346 6.776 1.00 0.00 H new ATOM 0 HG SER A 19 10.886 -5.402 7.792 1.00 0.00 H new ATOM 269 N ASN A 20 7.701 -2.214 6.623 1.00 0.00 N ATOM 270 CA ASN A 20 6.513 -1.671 7.284 1.00 0.00 C ATOM 271 C ASN A 20 5.279 -1.786 6.392 1.00 0.00 C ATOM 272 O ASN A 20 4.228 -2.164 6.890 1.00 0.00 O ATOM 273 CB ASN A 20 6.644 -0.186 7.603 1.00 0.00 C ATOM 274 CG ASN A 20 7.743 0.188 8.560 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.563 0.276 9.761 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.910 0.493 8.048 1.00 0.00 N ATOM 0 H ASN A 20 8.390 -1.513 6.351 1.00 0.00 H new ATOM 0 HA ASN A 20 6.414 -2.255 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.803 0.353 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.697 0.162 8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.668 0.804 8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.061 0.419 7.042 1.00 0.00 H new ATOM 283 N ILE A 21 5.361 -1.407 5.106 1.00 0.00 N ATOM 284 CA ILE A 21 4.168 -1.289 4.239 1.00 0.00 C ATOM 285 C ILE A 21 3.590 -2.669 3.927 1.00 0.00 C ATOM 286 O ILE A 21 2.394 -2.875 4.112 1.00 0.00 O ATOM 287 CB ILE A 21 4.415 -0.485 2.932 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.552 0.561 3.033 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.065 0.107 2.486 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.518 1.721 2.030 1.00 0.00 C ATOM 0 H ILE A 21 6.239 -1.176 4.640 1.00 0.00 H new ATOM 0 HA ILE A 21 3.440 -0.712 4.808 1.00 0.00 H new ATOM 0 HB ILE A 21 4.790 -1.161 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.538 0.981 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.503 0.041 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.204 0.679 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.355 -0.700 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.679 0.762 3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.367 2.381 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.571 1.326 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.591 2.282 2.153 1.00 0.00 H new ATOM 302 N GLU A 22 4.459 -3.610 3.556 1.00 0.00 N ATOM 303 CA GLU A 22 4.148 -5.028 3.407 1.00 0.00 C ATOM 304 C GLU A 22 3.455 -5.571 4.670 1.00 0.00 C ATOM 305 O GLU A 22 2.372 -6.140 4.590 1.00 0.00 O ATOM 306 CB GLU A 22 5.458 -5.768 3.048 1.00 0.00 C ATOM 307 CG GLU A 22 5.912 -5.399 1.618 1.00 0.00 C ATOM 308 CD GLU A 22 6.606 -6.520 0.842 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.525 -7.129 1.425 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.237 -6.704 -0.343 1.00 0.00 O ATOM 0 H GLU A 22 5.433 -3.396 3.344 1.00 0.00 H new ATOM 0 HA GLU A 22 3.435 -5.192 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.238 -5.506 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.306 -6.845 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.040 -5.073 1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.590 -4.548 1.678 1.00 0.00 H new ATOM 317 N SER A 23 4.003 -5.303 5.857 1.00 0.00 N ATOM 318 CA SER A 23 3.411 -5.762 7.121 1.00 0.00 C ATOM 319 C SER A 23 2.085 -5.092 7.495 1.00 0.00 C ATOM 320 O SER A 23 1.109 -5.769 7.815 1.00 0.00 O ATOM 321 CB SER A 23 4.409 -5.508 8.261 1.00 0.00 C ATOM 322 OG SER A 23 5.597 -6.248 8.072 1.00 0.00 O ATOM 0 H SER A 23 4.863 -4.766 5.972 1.00 0.00 H new ATOM 0 HA SER A 23 3.195 -6.820 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.644 -4.445 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.955 -5.781 9.214 1.00 0.00 H new ATOM 0 HG SER A 23 6.180 -5.775 7.443 1.00 0.00 H new ATOM 328 N THR A 24 2.066 -3.757 7.495 1.00 0.00 N ATOM 329 CA THR A 24 0.985 -2.919 8.029 1.00 0.00 C ATOM 330 C THR A 24 -0.255 -3.035 7.165 1.00 0.00 C ATOM 331 O THR A 24 -1.368 -3.051 7.687 1.00 0.00 O ATOM 332 CB THR A 24 1.449 -1.464 8.200 1.00 0.00 C ATOM 333 OG1 THR A 24 2.573 -1.489 9.045 1.00 0.00 O ATOM 334 CG2 THR A 24 0.380 -0.599 8.864 1.00 0.00 C ATOM 0 H THR A 24 2.833 -3.207 7.108 1.00 0.00 H new ATOM 0 HA THR A 24 0.719 -3.281 9.022 1.00 0.00 H new ATOM 0 HB THR A 24 1.664 -1.041 7.219 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.367 -1.735 8.526 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.749 0.422 8.966 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.521 -0.600 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.148 -1.001 9.850 1.00 0.00 H new ATOM 342 N LEU A 25 -0.073 -3.163 5.848 1.00 0.00 N ATOM 343 CA LEU A 25 -1.168 -3.531 4.968 1.00 0.00 C ATOM 344 C LEU A 25 -1.547 -4.998 5.110 1.00 0.00 C ATOM 345 O LEU A 25 -2.730 -5.248 5.282 1.00 0.00 O ATOM 346 CB LEU A 25 -0.845 -3.196 3.520 1.00 0.00 C ATOM 347 CG LEU A 25 -0.702 -1.690 3.216 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.982 -1.499 1.728 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.672 -0.760 3.957 1.00 0.00 C ATOM 0 H LEU A 25 0.820 -3.017 5.377 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.032 -2.940 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.083 -3.697 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.629 -3.607 2.884 1.00 0.00 H new ATOM 0 HG LEU A 25 0.302 -1.419 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.890 -0.443 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.264 -2.077 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.992 -1.841 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.480 0.273 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.698 -1.025 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.528 -0.867 5.032 1.00 0.00 H new ATOM 361 N SER A 26 -0.625 -5.971 5.078 1.00 0.00 N ATOM 362 CA SER A 26 -1.003 -7.406 5.034 1.00 0.00 C ATOM 363 C SER A 26 -1.608 -7.949 6.351 1.00 0.00 C ATOM 364 O SER A 26 -1.740 -9.159 6.544 1.00 0.00 O ATOM 365 CB SER A 26 0.187 -8.270 4.607 1.00 0.00 C ATOM 366 OG SER A 26 -0.241 -9.599 4.365 1.00 0.00 O ATOM 0 H SER A 26 0.381 -5.801 5.081 1.00 0.00 H new ATOM 0 HA SER A 26 -1.796 -7.470 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.643 -7.857 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.951 -8.261 5.384 1.00 0.00 H new ATOM 0 HG SER A 26 -0.726 -9.934 5.148 1.00 0.00 H new ATOM 372 N ALA A 27 -1.979 -7.045 7.252 1.00 0.00 N ATOM 373 CA ALA A 27 -2.695 -7.293 8.495 1.00 0.00 C ATOM 374 C ALA A 27 -4.135 -6.750 8.432 1.00 0.00 C ATOM 375 O ALA A 27 -4.900 -6.923 9.386 1.00 0.00 O ATOM 376 CB ALA A 27 -1.892 -6.625 9.620 1.00 0.00 C ATOM 0 H ALA A 27 -1.773 -6.054 7.123 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.784 -8.364 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.396 -6.788 10.573 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.892 -7.058 9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.817 -5.555 9.427 1.00 0.00 H new ATOM 382 N LEU A 28 -4.531 -6.073 7.342 1.00 0.00 N ATOM 383 CA LEU A 28 -5.852 -5.480 7.230 1.00 0.00 C ATOM 384 C LEU A 28 -6.854 -6.601 6.975 1.00 0.00 C ATOM 385 O LEU A 28 -6.711 -7.362 6.025 1.00 0.00 O ATOM 386 CB LEU A 28 -5.876 -4.419 6.117 1.00 0.00 C ATOM 387 CG LEU A 28 -4.948 -3.221 6.384 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.743 -2.385 5.119 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.522 -2.300 7.460 1.00 0.00 C ATOM 0 H LEU A 28 -3.940 -5.928 6.523 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.121 -4.966 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.589 -4.887 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.897 -4.056 5.995 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.998 -3.638 6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.083 -1.546 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.295 -3.004 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.705 -2.008 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.842 -1.464 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.491 -1.921 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.643 -2.857 8.389 1.00 0.00 H new ATOM 401 N GLN A 29 -7.895 -6.691 7.796 1.00 0.00 N ATOM 402 CA GLN A 29 -8.803 -7.847 7.796 1.00 0.00 C ATOM 403 C GLN A 29 -9.551 -8.050 6.467 1.00 0.00 C ATOM 404 O GLN A 29 -10.051 -9.140 6.225 1.00 0.00 O ATOM 405 CB GLN A 29 -9.751 -7.728 9.000 1.00 0.00 C ATOM 406 CG GLN A 29 -8.974 -7.920 10.317 1.00 0.00 C ATOM 407 CD GLN A 29 -9.762 -7.526 11.563 1.00 0.00 C ATOM 408 OE1 GLN A 29 -10.976 -7.444 11.590 1.00 0.00 O ATOM 409 NE2 GLN A 29 -9.089 -7.241 12.656 1.00 0.00 N ATOM 0 H GLN A 29 -8.138 -5.973 8.479 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.203 -8.752 7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.235 -6.751 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.541 -8.475 8.924 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.676 -8.965 10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.058 -7.330 10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.071 -7.302 12.659 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.585 -6.959 13.501 1.00 0.00 H new ATOM 418 N TYR A 30 -9.572 -7.051 5.577 1.00 0.00 N ATOM 419 CA TYR A 30 -10.053 -7.187 4.200 1.00 0.00 C ATOM 420 C TYR A 30 -8.990 -7.540 3.142 1.00 0.00 C ATOM 421 O TYR A 30 -9.383 -7.817 2.012 1.00 0.00 O ATOM 422 CB TYR A 30 -10.790 -5.901 3.787 1.00 0.00 C ATOM 423 CG TYR A 30 -10.143 -4.548 4.091 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.783 -4.272 3.818 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.953 -3.518 4.610 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.269 -2.979 4.014 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.437 -2.225 4.825 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.090 -1.945 4.514 1.00 0.00 C ATOM 429 OH TYR A 30 -8.596 -0.688 4.691 1.00 0.00 O ATOM 0 H TYR A 30 -9.249 -6.109 5.799 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.718 -8.050 4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.961 -5.950 2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.769 -5.914 4.267 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.137 -5.059 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.986 -3.723 4.847 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.235 -2.774 3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.072 -1.449 5.227 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.302 -0.106 5.042 1.00 0.00 H new ATOM 439 N VAL A 31 -7.679 -7.488 3.419 1.00 0.00 N ATOM 440 CA VAL A 31 -6.639 -7.690 2.393 1.00 0.00 C ATOM 441 C VAL A 31 -6.194 -9.152 2.390 1.00 0.00 C ATOM 442 O VAL A 31 -6.045 -9.755 3.448 1.00 0.00 O ATOM 443 CB VAL A 31 -5.457 -6.696 2.473 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.429 -6.990 3.523 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.638 -6.654 1.169 1.00 0.00 C ATOM 0 H VAL A 31 -7.309 -7.306 4.352 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.092 -7.461 1.429 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.977 -5.765 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.647 -6.231 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.900 -6.983 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.990 -7.971 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.820 -5.942 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.232 -7.644 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.282 -6.346 0.345 1.00 0.00 H new ATOM 455 N SER A 32 -6.027 -9.736 1.206 1.00 0.00 N ATOM 456 CA SER A 32 -5.684 -11.154 1.051 1.00 0.00 C ATOM 457 C SER A 32 -4.216 -11.363 0.645 1.00 0.00 C ATOM 458 O SER A 32 -3.704 -12.474 0.755 1.00 0.00 O ATOM 459 CB SER A 32 -6.653 -11.774 0.032 1.00 0.00 C ATOM 460 OG SER A 32 -6.768 -13.171 0.225 1.00 0.00 O ATOM 0 H SER A 32 -6.126 -9.239 0.320 1.00 0.00 H new ATOM 0 HA SER A 32 -5.790 -11.654 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.634 -11.308 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.301 -11.571 -0.980 1.00 0.00 H new ATOM 0 HG SER A 32 -7.391 -13.542 -0.434 1.00 0.00 H new ATOM 466 N SER A 33 -3.514 -10.317 0.191 1.00 0.00 N ATOM 467 CA SER A 33 -2.162 -10.346 -0.377 1.00 0.00 C ATOM 468 C SER A 33 -1.660 -8.942 -0.762 1.00 0.00 C ATOM 469 O SER A 33 -2.381 -7.943 -0.750 1.00 0.00 O ATOM 470 CB SER A 33 -2.107 -11.289 -1.590 1.00 0.00 C ATOM 471 OG SER A 33 -1.934 -12.627 -1.174 1.00 0.00 O ATOM 0 H SER A 33 -3.898 -9.372 0.212 1.00 0.00 H new ATOM 0 HA SER A 33 -1.496 -10.724 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.026 -11.199 -2.169 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.287 -10.998 -2.246 1.00 0.00 H new ATOM 0 HG SER A 33 -2.613 -12.852 -0.504 1.00 0.00 H new ATOM 477 N ILE A 34 -0.391 -8.864 -1.131 1.00 0.00 N ATOM 478 CA ILE A 34 0.407 -7.652 -1.355 1.00 0.00 C ATOM 479 C ILE A 34 1.793 -8.047 -1.865 1.00 0.00 C ATOM 480 O ILE A 34 2.251 -9.147 -1.572 1.00 0.00 O ATOM 481 CB ILE A 34 0.509 -6.799 -0.058 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.228 -5.454 -0.300 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.208 -7.568 1.081 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.007 -4.447 0.828 1.00 0.00 C ATOM 0 H ILE A 34 0.157 -9.708 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.087 -7.036 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.517 -6.587 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.297 -5.635 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.876 -5.024 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.259 -6.937 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.643 -8.472 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.217 -7.840 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.537 -3.523 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.058 -4.239 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.384 -4.860 1.764 1.00 0.00 H new ATOM 496 N VAL A 35 2.415 -7.144 -2.621 1.00 0.00 N ATOM 497 CA VAL A 35 3.825 -7.137 -3.026 1.00 0.00 C ATOM 498 C VAL A 35 4.263 -5.687 -3.104 1.00 0.00 C ATOM 499 O VAL A 35 3.589 -4.871 -3.734 1.00 0.00 O ATOM 500 CB VAL A 35 4.065 -7.777 -4.410 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.429 -7.432 -5.049 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.017 -9.300 -4.267 1.00 0.00 C ATOM 0 H VAL A 35 1.913 -6.339 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 35 4.387 -7.720 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 35 3.284 -7.376 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.512 -7.924 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.506 -6.353 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.233 -7.776 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.185 -9.762 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.791 -9.625 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.040 -9.599 -3.887 1.00 0.00 H new ATOM 512 N VAL A 36 5.416 -5.379 -2.531 1.00 0.00 N ATOM 513 CA VAL A 36 6.053 -4.061 -2.681 1.00 0.00 C ATOM 514 C VAL A 36 7.180 -4.075 -3.713 1.00 0.00 C ATOM 515 O VAL A 36 7.961 -5.013 -3.844 1.00 0.00 O ATOM 516 CB VAL A 36 6.474 -3.487 -1.320 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.436 -2.297 -1.390 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.232 -2.947 -0.607 1.00 0.00 C ATOM 0 H VAL A 36 5.944 -6.028 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 36 5.307 -3.376 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 36 6.973 -4.312 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.675 -1.962 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.352 -2.599 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.967 -1.482 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.518 -2.536 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.776 -2.164 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.516 -3.756 -0.461 1.00 0.00 H new ATOM 528 N SER A 37 7.244 -2.974 -4.460 1.00 0.00 N ATOM 529 CA SER A 37 8.228 -2.713 -5.506 1.00 0.00 C ATOM 530 C SER A 37 9.557 -2.302 -4.863 1.00 0.00 C ATOM 531 O SER A 37 9.842 -1.117 -4.716 1.00 0.00 O ATOM 532 CB SER A 37 7.757 -1.599 -6.466 1.00 0.00 C ATOM 533 OG SER A 37 6.377 -1.645 -6.785 1.00 0.00 O ATOM 0 H SER A 37 6.582 -2.207 -4.347 1.00 0.00 H new ATOM 0 HA SER A 37 8.354 -3.627 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.982 -0.631 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.333 -1.664 -7.389 1.00 0.00 H new ATOM 0 HG SER A 37 5.853 -1.341 -6.015 1.00 0.00 H new ATOM 539 N LEU A 38 10.367 -3.281 -4.467 1.00 0.00 N ATOM 540 CA LEU A 38 11.620 -3.109 -3.721 1.00 0.00 C ATOM 541 C LEU A 38 12.636 -2.182 -4.403 1.00 0.00 C ATOM 542 O LEU A 38 13.426 -1.531 -3.722 1.00 0.00 O ATOM 543 CB LEU A 38 12.229 -4.508 -3.463 1.00 0.00 C ATOM 544 CG LEU A 38 12.063 -4.974 -2.006 1.00 0.00 C ATOM 545 CD1 LEU A 38 12.355 -6.475 -1.879 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.014 -4.197 -1.080 1.00 0.00 C ATOM 0 H LEU A 38 10.163 -4.261 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 38 11.379 -2.610 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.757 -5.232 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.289 -4.489 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 38 11.031 -4.782 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.232 -6.783 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.663 -7.035 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.378 -6.675 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.883 -4.540 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.045 -4.368 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.789 -3.132 -1.138 1.00 0.00 H new ATOM 558 N GLU A 39 12.613 -2.118 -5.733 1.00 0.00 N ATOM 559 CA GLU A 39 13.448 -1.242 -6.563 1.00 0.00 C ATOM 560 C GLU A 39 12.844 0.147 -6.824 1.00 0.00 C ATOM 561 O GLU A 39 13.437 0.973 -7.509 1.00 0.00 O ATOM 562 CB GLU A 39 13.770 -1.981 -7.867 1.00 0.00 C ATOM 563 CG GLU A 39 14.792 -3.102 -7.612 1.00 0.00 C ATOM 564 CD GLU A 39 14.718 -4.189 -8.674 1.00 0.00 C ATOM 565 OE1 GLU A 39 13.691 -4.904 -8.662 1.00 0.00 O ATOM 566 OE2 GLU A 39 15.681 -4.297 -9.459 1.00 0.00 O ATOM 0 H GLU A 39 11.986 -2.699 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 39 14.363 -1.029 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.857 -2.402 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.166 -1.280 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.797 -2.680 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.613 -3.541 -6.630 1.00 0.00 H new ATOM 573 N ASN A 40 11.654 0.411 -6.293 1.00 0.00 N ATOM 574 CA ASN A 40 10.828 1.613 -6.453 1.00 0.00 C ATOM 575 C ASN A 40 10.256 2.058 -5.091 1.00 0.00 C ATOM 576 O ASN A 40 10.683 1.584 -4.040 1.00 0.00 O ATOM 577 CB ASN A 40 9.742 1.349 -7.521 1.00 0.00 C ATOM 578 CG ASN A 40 10.199 1.777 -8.907 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.319 1.251 -9.358 1.00 0.00 O flip ATOM 580 ND2 ASN A 40 9.576 2.611 -9.546 1.00 0.00 N flip ATOM 0 H ASN A 40 11.199 -0.269 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 40 11.434 2.446 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.493 0.288 -7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.832 1.887 -7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.711 3.000 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.920 2.918 -10.456 1.00 0.00 H new ATOM 587 N ARG A 41 9.338 3.039 -5.080 1.00 0.00 N ATOM 588 CA ARG A 41 8.633 3.488 -3.865 1.00 0.00 C ATOM 589 C ARG A 41 7.128 3.144 -3.839 1.00 0.00 C ATOM 590 O ARG A 41 6.313 3.899 -3.318 1.00 0.00 O ATOM 591 CB ARG A 41 8.993 4.949 -3.526 1.00 0.00 C ATOM 592 CG ARG A 41 8.469 6.089 -4.416 1.00 0.00 C ATOM 593 CD ARG A 41 9.170 6.293 -5.762 1.00 0.00 C ATOM 594 NE ARG A 41 8.821 7.626 -6.274 1.00 0.00 N ATOM 595 CZ ARG A 41 9.465 8.394 -7.134 1.00 0.00 C ATOM 596 NH1 ARG A 41 10.468 7.950 -7.865 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.084 9.643 -7.250 1.00 0.00 N ATOM 0 H ARG A 41 9.061 3.547 -5.920 1.00 0.00 H new ATOM 0 HA ARG A 41 9.006 2.892 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.646 5.143 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.080 5.021 -3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.411 5.911 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.539 7.019 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.250 6.204 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.862 5.523 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 41 7.951 8.016 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.773 6.981 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.939 8.576 -8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.311 9.995 -6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.560 10.263 -7.905 1.00 0.00 H new ATOM 611 N SER A 42 6.717 2.011 -4.413 1.00 0.00 N ATOM 612 CA SER A 42 5.300 1.645 -4.636 1.00 0.00 C ATOM 613 C SER A 42 4.912 0.223 -4.217 1.00 0.00 C ATOM 614 O SER A 42 5.724 -0.692 -4.253 1.00 0.00 O ATOM 615 CB SER A 42 4.941 1.788 -6.124 1.00 0.00 C ATOM 616 OG SER A 42 5.996 1.372 -6.973 1.00 0.00 O ATOM 0 H SER A 42 7.368 1.300 -4.746 1.00 0.00 H new ATOM 0 HA SER A 42 4.748 2.335 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.050 1.198 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.694 2.828 -6.338 1.00 0.00 H new ATOM 0 HG SER A 42 6.088 0.397 -6.926 1.00 0.00 H new ATOM 622 N ALA A 43 3.628 0.011 -3.928 1.00 0.00 N ATOM 623 CA ALA A 43 3.020 -1.239 -3.469 1.00 0.00 C ATOM 624 C ALA A 43 1.877 -1.642 -4.403 1.00 0.00 C ATOM 625 O ALA A 43 1.068 -0.802 -4.795 1.00 0.00 O ATOM 626 CB ALA A 43 2.482 -0.995 -2.050 1.00 0.00 C ATOM 0 H ALA A 43 2.939 0.758 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 43 3.754 -2.045 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.020 -1.908 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.303 -0.707 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.740 -0.197 -2.074 1.00 0.00 H new ATOM 632 N ILE A 44 1.789 -2.928 -4.725 1.00 0.00 N ATOM 633 CA ILE A 44 0.677 -3.571 -5.427 1.00 0.00 C ATOM 634 C ILE A 44 -0.016 -4.426 -4.366 1.00 0.00 C ATOM 635 O ILE A 44 0.604 -5.319 -3.787 1.00 0.00 O ATOM 636 CB ILE A 44 1.200 -4.404 -6.617 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.944 -3.492 -7.624 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.023 -5.124 -7.301 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.744 -4.270 -8.674 1.00 0.00 C ATOM 0 H ILE A 44 2.531 -3.588 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.021 -2.857 -5.863 1.00 0.00 H new ATOM 0 HB ILE A 44 1.904 -5.151 -6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.219 -2.854 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.620 -2.835 -7.077 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.394 -5.711 -8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.466 -5.784 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.694 -4.387 -7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.239 -3.570 -9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.492 -4.887 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.070 -4.907 -9.246 1.00 0.00 H new ATOM 651 N VAL A 45 -1.264 -4.098 -4.054 1.00 0.00 N ATOM 652 CA VAL A 45 -2.013 -4.619 -2.900 1.00 0.00 C ATOM 653 C VAL A 45 -3.243 -5.368 -3.404 1.00 0.00 C ATOM 654 O VAL A 45 -3.918 -4.870 -4.302 1.00 0.00 O ATOM 655 CB VAL A 45 -2.456 -3.456 -1.986 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.038 -3.998 -0.672 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.310 -2.480 -1.651 1.00 0.00 C ATOM 0 H VAL A 45 -1.808 -3.440 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.375 -5.293 -2.328 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.213 -2.906 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.345 -3.165 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.901 -4.627 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.281 -4.587 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.685 -1.686 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.513 -3.018 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.921 -2.046 -2.572 1.00 0.00 H new ATOM 667 N VAL A 46 -3.529 -6.541 -2.833 1.00 0.00 N ATOM 668 CA VAL A 46 -4.529 -7.498 -3.336 1.00 0.00 C ATOM 669 C VAL A 46 -5.537 -7.808 -2.220 1.00 0.00 C ATOM 670 O VAL A 46 -5.224 -8.510 -1.262 1.00 0.00 O ATOM 671 CB VAL A 46 -3.818 -8.794 -3.801 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.782 -9.831 -4.393 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.650 -8.537 -4.775 1.00 0.00 C ATOM 0 H VAL A 46 -3.062 -6.864 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.061 -7.069 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.397 -9.211 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.222 -10.715 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.521 -10.111 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.289 -9.404 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.198 -9.487 -5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.023 -8.032 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.902 -7.910 -4.289 1.00 0.00 H new ATOM 683 N TYR A 47 -6.742 -7.244 -2.299 1.00 0.00 N ATOM 684 CA TYR A 47 -7.754 -7.300 -1.232 1.00 0.00 C ATOM 685 C TYR A 47 -9.067 -7.969 -1.674 1.00 0.00 C ATOM 686 O TYR A 47 -9.369 -8.073 -2.861 1.00 0.00 O ATOM 687 CB TYR A 47 -8.004 -5.888 -0.674 1.00 0.00 C ATOM 688 CG TYR A 47 -8.761 -4.971 -1.606 1.00 0.00 C ATOM 689 CD1 TYR A 47 -8.071 -4.273 -2.613 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.156 -4.829 -1.475 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.766 -3.430 -3.495 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.864 -4.029 -2.389 1.00 0.00 C ATOM 693 CZ TYR A 47 -10.173 -3.337 -3.406 1.00 0.00 C ATOM 694 OH TYR A 47 -10.875 -2.622 -4.321 1.00 0.00 O ATOM 0 H TYR A 47 -7.053 -6.724 -3.120 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.354 -7.934 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.558 -5.973 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.044 -5.430 -0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.001 -4.386 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.680 -5.332 -0.676 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.229 -2.857 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.938 -3.944 -2.313 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.831 -2.667 -4.108 1.00 0.00 H new ATOM 704 N ASN A 48 -9.888 -8.400 -0.717 1.00 0.00 N ATOM 705 CA ASN A 48 -11.132 -9.112 -1.007 1.00 0.00 C ATOM 706 C ASN A 48 -12.318 -8.133 -1.097 1.00 0.00 C ATOM 707 O ASN A 48 -12.591 -7.410 -0.138 1.00 0.00 O ATOM 708 CB ASN A 48 -11.332 -10.195 0.064 1.00 0.00 C ATOM 709 CG ASN A 48 -12.403 -11.204 -0.334 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.429 -10.870 -0.911 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.168 -12.474 -0.069 1.00 0.00 N ATOM 0 H ASN A 48 -9.710 -8.266 0.278 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.075 -9.598 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.389 -10.715 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.610 -9.725 1.007 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.844 -13.186 -0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.310 -12.744 0.412 1.00 0.00 H new ATOM 780 N PRO A 54 -10.096 1.673 -3.618 1.00 0.00 N ATOM 781 CA PRO A 54 -8.667 1.732 -3.313 1.00 0.00 C ATOM 782 C PRO A 54 -8.321 2.781 -2.243 1.00 0.00 C ATOM 783 O PRO A 54 -7.272 2.681 -1.611 1.00 0.00 O ATOM 784 CB PRO A 54 -8.016 2.052 -4.663 1.00 0.00 C ATOM 785 CG PRO A 54 -9.058 2.922 -5.361 1.00 0.00 C ATOM 786 CD PRO A 54 -10.359 2.260 -4.926 1.00 0.00 C ATOM 0 HA PRO A 54 -8.308 0.798 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.071 2.580 -4.538 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.803 1.146 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.002 3.963 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.938 2.914 -6.444 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.168 2.989 -4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.666 1.497 -5.641 1.00 0.00 H new ATOM 794 N GLU A 55 -9.193 3.770 -2.016 1.00 0.00 N ATOM 795 CA GLU A 55 -8.976 4.890 -1.092 1.00 0.00 C ATOM 796 C GLU A 55 -8.630 4.443 0.340 1.00 0.00 C ATOM 797 O GLU A 55 -7.847 5.106 1.015 1.00 0.00 O ATOM 798 CB GLU A 55 -10.244 5.765 -1.129 1.00 0.00 C ATOM 799 CG GLU A 55 -10.282 6.979 -0.189 1.00 0.00 C ATOM 800 CD GLU A 55 -9.285 8.095 -0.507 1.00 0.00 C ATOM 801 OE1 GLU A 55 -8.452 7.978 -1.430 1.00 0.00 O ATOM 802 OE2 GLU A 55 -9.316 9.104 0.234 1.00 0.00 O ATOM 0 H GLU A 55 -10.098 3.815 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.104 5.458 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.379 6.123 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.100 5.131 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.288 7.399 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.100 6.633 0.829 1.00 0.00 H new ATOM 809 N SER A 56 -9.152 3.314 0.826 1.00 0.00 N ATOM 810 CA SER A 56 -8.881 2.809 2.170 1.00 0.00 C ATOM 811 C SER A 56 -7.474 2.222 2.307 1.00 0.00 C ATOM 812 O SER A 56 -6.847 2.348 3.360 1.00 0.00 O ATOM 813 CB SER A 56 -9.883 1.701 2.499 1.00 0.00 C ATOM 814 OG SER A 56 -11.200 1.992 2.062 1.00 0.00 O ATOM 0 H SER A 56 -9.782 2.719 0.289 1.00 0.00 H new ATOM 0 HA SER A 56 -8.968 3.654 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.551 0.771 2.038 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.892 1.537 3.576 1.00 0.00 H new ATOM 0 HG SER A 56 -11.794 1.249 2.298 1.00 0.00 H new ATOM 820 N LEU A 57 -6.969 1.563 1.254 1.00 0.00 N ATOM 821 CA LEU A 57 -5.605 1.038 1.244 1.00 0.00 C ATOM 822 C LEU A 57 -4.619 2.207 1.164 1.00 0.00 C ATOM 823 O LEU A 57 -3.691 2.255 1.964 1.00 0.00 O ATOM 824 CB LEU A 57 -5.394 0.063 0.077 1.00 0.00 C ATOM 825 CG LEU A 57 -6.273 -1.206 -0.002 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.828 -1.990 -1.244 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.179 -2.140 1.215 1.00 0.00 C ATOM 0 H LEU A 57 -7.491 1.383 0.397 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.431 0.481 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.536 0.621 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.353 -0.258 0.099 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.309 -0.871 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.426 -2.896 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.965 -1.373 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.776 -2.258 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.831 -3.000 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.150 -2.481 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.489 -1.602 2.111 1.00 0.00 H new ATOM 839 N ARG A 58 -4.870 3.198 0.295 1.00 0.00 N ATOM 840 CA ARG A 58 -4.121 4.451 0.218 1.00 0.00 C ATOM 841 C ARG A 58 -4.003 5.114 1.600 1.00 0.00 C ATOM 842 O ARG A 58 -2.899 5.394 2.067 1.00 0.00 O ATOM 843 CB ARG A 58 -4.850 5.363 -0.782 1.00 0.00 C ATOM 844 CG ARG A 58 -4.087 6.648 -1.101 1.00 0.00 C ATOM 845 CD ARG A 58 -5.019 7.844 -1.344 1.00 0.00 C ATOM 846 NE ARG A 58 -5.003 8.786 -0.212 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.708 9.900 -0.112 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.769 10.124 -0.855 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.323 10.792 0.774 1.00 0.00 N ATOM 0 H ARG A 58 -5.623 3.143 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.102 4.263 -0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.021 4.812 -1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.829 5.621 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.412 6.880 -0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.468 6.489 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.716 8.363 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.036 7.486 -1.505 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.389 8.557 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.072 9.427 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.290 10.995 -0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.505 10.613 1.356 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.843 11.663 0.879 1.00 0.00 H new ATOM 863 N LYS A 59 -5.136 5.277 2.295 1.00 0.00 N ATOM 864 CA LYS A 59 -5.202 5.739 3.683 1.00 0.00 C ATOM 865 C LYS A 59 -4.424 4.861 4.674 1.00 0.00 C ATOM 866 O LYS A 59 -3.779 5.411 5.561 1.00 0.00 O ATOM 867 CB LYS A 59 -6.682 5.826 4.096 1.00 0.00 C ATOM 868 CG LYS A 59 -7.242 7.251 4.091 1.00 0.00 C ATOM 869 CD LYS A 59 -7.068 8.019 2.775 1.00 0.00 C ATOM 870 CE LYS A 59 -7.624 9.441 2.914 1.00 0.00 C ATOM 871 NZ LYS A 59 -9.103 9.469 2.867 1.00 0.00 N ATOM 0 H LYS A 59 -6.055 5.086 1.895 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.720 6.716 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.275 5.210 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.796 5.404 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.305 7.207 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.760 7.816 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.013 8.058 2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.584 7.496 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.284 9.872 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.225 10.065 2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.444 10.389 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.422 9.328 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.484 8.710 3.468 1.00 0.00 H new ATOM 885 N ALA A 60 -4.442 3.530 4.543 1.00 0.00 N ATOM 886 CA ALA A 60 -3.694 2.649 5.441 1.00 0.00 C ATOM 887 C ALA A 60 -2.176 2.801 5.257 1.00 0.00 C ATOM 888 O ALA A 60 -1.436 2.818 6.237 1.00 0.00 O ATOM 889 CB ALA A 60 -4.168 1.213 5.216 1.00 0.00 C ATOM 0 H ALA A 60 -4.969 3.040 3.820 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.890 2.929 6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.621 0.541 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.235 1.144 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.987 0.928 4.180 1.00 0.00 H new ATOM 895 N ILE A 61 -1.712 3.015 4.020 1.00 0.00 N ATOM 896 CA ILE A 61 -0.312 3.378 3.753 1.00 0.00 C ATOM 897 C ILE A 61 0.002 4.738 4.394 1.00 0.00 C ATOM 898 O ILE A 61 0.927 4.821 5.202 1.00 0.00 O ATOM 899 CB ILE A 61 0.022 3.341 2.242 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.358 2.006 1.589 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.529 3.570 2.054 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.179 1.949 0.063 1.00 0.00 C ATOM 0 H ILE A 61 -2.289 2.943 3.182 1.00 0.00 H new ATOM 0 HA ILE A 61 0.335 2.630 4.212 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.561 4.126 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.243 1.216 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.400 1.788 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.771 3.545 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.804 4.541 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.083 2.787 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.474 0.965 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.802 2.711 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.866 2.130 -0.188 1.00 0.00 H new ATOM 914 N GLU A 62 -0.803 5.780 4.142 1.00 0.00 N ATOM 915 CA GLU A 62 -0.627 7.093 4.776 1.00 0.00 C ATOM 916 C GLU A 62 -0.649 7.022 6.313 1.00 0.00 C ATOM 917 O GLU A 62 -0.108 7.919 6.945 1.00 0.00 O ATOM 918 CB GLU A 62 -1.676 8.110 4.281 1.00 0.00 C ATOM 919 CG GLU A 62 -1.472 8.502 2.814 1.00 0.00 C ATOM 920 CD GLU A 62 -2.514 9.457 2.233 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.711 9.109 2.240 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.154 10.503 1.646 1.00 0.00 O ATOM 0 H GLU A 62 -1.591 5.736 3.496 1.00 0.00 H new ATOM 0 HA GLU A 62 0.364 7.435 4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.673 7.687 4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.630 9.005 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.489 8.961 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.463 7.593 2.212 1.00 0.00 H new ATOM 929 N ALA A 63 -1.183 5.956 6.926 1.00 0.00 N ATOM 930 CA ALA A 63 -1.183 5.728 8.371 1.00 0.00 C ATOM 931 C ALA A 63 0.022 4.941 8.927 1.00 0.00 C ATOM 932 O ALA A 63 0.090 4.748 10.140 1.00 0.00 O ATOM 933 CB ALA A 63 -2.517 5.066 8.749 1.00 0.00 C ATOM 0 H ALA A 63 -1.641 5.206 6.409 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.075 6.704 8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.542 4.885 9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.341 5.724 8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.616 4.119 8.219 1.00 0.00 H new ATOM 939 N VAL A 64 0.981 4.546 8.085 1.00 0.00 N ATOM 940 CA VAL A 64 2.222 3.871 8.519 1.00 0.00 C ATOM 941 C VAL A 64 3.338 4.882 8.763 1.00 0.00 C ATOM 942 O VAL A 64 4.179 4.706 9.639 1.00 0.00 O ATOM 943 CB VAL A 64 2.676 2.760 7.545 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.576 3.175 6.399 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.464 1.690 8.313 1.00 0.00 C ATOM 0 H VAL A 64 0.924 4.683 7.076 1.00 0.00 H new ATOM 0 HA VAL A 64 1.993 3.376 9.463 1.00 0.00 H new ATOM 0 HB VAL A 64 1.736 2.418 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.820 2.302 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.063 3.913 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.494 3.609 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.783 0.908 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.340 2.145 8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.830 1.256 9.086 1.00 0.00 H new ATOM 955 N SER A 65 3.340 5.974 7.998 1.00 0.00 N ATOM 956 CA SER A 65 4.186 7.136 8.259 1.00 0.00 C ATOM 957 C SER A 65 3.499 8.451 7.824 1.00 0.00 C ATOM 958 O SER A 65 3.906 9.076 6.839 1.00 0.00 O ATOM 959 CB SER A 65 5.609 6.945 7.712 1.00 0.00 C ATOM 960 OG SER A 65 6.036 5.594 7.567 1.00 0.00 O ATOM 0 H SER A 65 2.749 6.076 7.173 1.00 0.00 H new ATOM 0 HA SER A 65 4.315 7.227 9.338 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.674 7.434 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.306 7.458 8.375 1.00 0.00 H new ATOM 0 HG SER A 65 6.130 5.381 6.615 1.00 0.00 H new ATOM 966 N PRO A 66 2.430 8.859 8.537 1.00 0.00 N ATOM 967 CA PRO A 66 1.657 10.064 8.245 1.00 0.00 C ATOM 968 C PRO A 66 2.506 11.333 8.275 1.00 0.00 C ATOM 969 O PRO A 66 3.412 11.474 9.092 1.00 0.00 O ATOM 970 CB PRO A 66 0.508 10.106 9.265 1.00 0.00 C ATOM 971 CG PRO A 66 0.914 9.101 10.345 1.00 0.00 C ATOM 972 CD PRO A 66 1.754 8.093 9.569 1.00 0.00 C ATOM 0 HA PRO A 66 1.268 10.025 7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.383 11.106 9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.441 9.831 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.485 9.574 11.144 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.046 8.632 10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.472 7.596 10.222 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.128 7.315 9.133 1.00 0.00 H new ATOM 980 N GLY A 67 2.206 12.251 7.348 1.00 0.00 N ATOM 981 CA GLY A 67 2.934 13.511 7.138 1.00 0.00 C ATOM 982 C GLY A 67 4.123 13.365 6.185 1.00 0.00 C ATOM 983 O GLY A 67 4.379 14.267 5.392 1.00 0.00 O ATOM 0 H GLY A 67 1.425 12.135 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.247 14.259 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.290 13.883 8.099 1.00 0.00 H new ATOM 987 N LEU A 68 4.804 12.216 6.239 1.00 0.00 N ATOM 988 CA LEU A 68 5.904 11.830 5.349 1.00 0.00 C ATOM 989 C LEU A 68 5.395 11.246 4.022 1.00 0.00 C ATOM 990 O LEU A 68 5.914 11.551 2.956 1.00 0.00 O ATOM 991 CB LEU A 68 6.763 10.812 6.117 1.00 0.00 C ATOM 992 CG LEU A 68 7.955 10.246 5.327 1.00 0.00 C ATOM 993 CD1 LEU A 68 9.017 11.311 5.061 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.563 9.110 6.144 1.00 0.00 C ATOM 0 H LEU A 68 4.595 11.499 6.934 1.00 0.00 H new ATOM 0 HA LEU A 68 6.492 12.706 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.139 11.286 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.127 9.984 6.430 1.00 0.00 H new ATOM 0 HG LEU A 68 7.602 9.891 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.842 10.870 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.579 12.125 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.389 11.699 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.412 8.689 5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.898 9.494 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.814 8.334 6.303 1.00 0.00 H new ATOM 1006 N TYR A 69 4.388 10.374 4.086 1.00 0.00 N ATOM 1007 CA TYR A 69 3.956 9.539 2.960 1.00 0.00 C ATOM 1008 C TYR A 69 3.040 10.232 1.918 1.00 0.00 C ATOM 1009 O TYR A 69 1.822 10.327 2.102 1.00 0.00 O ATOM 1010 CB TYR A 69 3.281 8.284 3.554 1.00 0.00 C ATOM 1011 CG TYR A 69 4.194 7.115 3.905 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.557 7.273 4.229 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.674 5.814 3.805 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.358 6.148 4.498 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.495 4.687 3.929 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.831 4.844 4.350 1.00 0.00 C ATOM 1017 OH TYR A 69 6.585 3.756 4.674 1.00 0.00 O ATOM 0 H TYR A 69 3.840 10.224 4.933 1.00 0.00 H new ATOM 0 HA TYR A 69 4.844 9.293 2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.746 8.581 4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.534 7.931 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.988 8.262 4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.617 5.680 3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.381 6.281 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.108 3.704 3.704 1.00 0.00 H new ATOM 0 HH TYR A 69 6.000 3.031 4.977 1.00 0.00 H new ATOM 1027 N ARG A 70 3.562 10.584 0.730 1.00 0.00 N ATOM 1028 CA ARG A 70 2.738 11.045 -0.407 1.00 0.00 C ATOM 1029 C ARG A 70 2.100 9.887 -1.193 1.00 0.00 C ATOM 1030 O ARG A 70 2.544 9.547 -2.288 1.00 0.00 O ATOM 1031 CB ARG A 70 3.557 11.940 -1.343 1.00 0.00 C ATOM 1032 CG ARG A 70 2.789 12.658 -2.456 1.00 0.00 C ATOM 1033 CD ARG A 70 1.578 13.470 -2.013 1.00 0.00 C ATOM 1034 NE ARG A 70 0.368 12.635 -1.857 1.00 0.00 N ATOM 1035 CZ ARG A 70 -0.364 12.485 -0.759 1.00 0.00 C ATOM 1036 NH1 ARG A 70 -0.147 13.178 0.341 1.00 0.00 N ATOM 1037 NH2 ARG A 70 -1.319 11.588 -0.731 1.00 0.00 N ATOM 0 H ARG A 70 4.562 10.558 0.529 1.00 0.00 H new ATOM 0 HA ARG A 70 1.920 11.626 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.062 12.693 -0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.333 11.329 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.478 13.324 -2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.458 11.914 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.801 13.963 -1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.383 14.255 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 70 0.062 12.118 -2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.609 13.863 0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.735 13.030 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.498 11.008 -1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.883 11.470 0.110 1.00 0.00 H new ATOM 1051 N VAL A 71 1.057 9.266 -0.648 1.00 0.00 N ATOM 1052 CA VAL A 71 0.445 8.069 -1.269 1.00 0.00 C ATOM 1053 C VAL A 71 -0.506 8.415 -2.413 1.00 0.00 C ATOM 1054 O VAL A 71 -1.441 9.200 -2.254 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.268 7.145 -0.273 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.621 5.795 -0.918 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.660 6.868 0.914 1.00 0.00 C ATOM 0 H VAL A 71 0.611 9.562 0.220 1.00 0.00 H new ATOM 0 HA VAL A 71 1.297 7.522 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.184 7.642 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.125 5.163 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.280 5.960 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.291 5.303 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.157 6.212 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.572 6.387 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.913 7.808 1.405 1.00 0.00 H new ATOM 1067 N SER A 72 -0.259 7.803 -3.569 1.00 0.00 N ATOM 1068 CA SER A 72 -0.903 8.147 -4.834 1.00 0.00 C ATOM 1069 C SER A 72 -1.238 6.892 -5.659 1.00 0.00 C ATOM 1070 O SER A 72 -0.439 5.967 -5.740 1.00 0.00 O ATOM 1071 CB SER A 72 0.042 9.046 -5.640 1.00 0.00 C ATOM 1072 OG SER A 72 0.770 9.969 -4.837 1.00 0.00 O ATOM 0 H SER A 72 0.409 7.037 -3.654 1.00 0.00 H new ATOM 0 HA SER A 72 -1.837 8.664 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.746 8.420 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.538 9.598 -6.380 1.00 0.00 H new ATOM 0 HG SER A 72 1.354 10.510 -5.408 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.401 6.843 -6.305 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.817 5.704 -7.148 1.00 0.00 C ATOM 1080 C ILE A 73 -2.251 5.887 -8.552 1.00 0.00 C ATOM 1081 O ILE A 73 -2.665 6.782 -9.288 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.357 5.546 -7.134 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.874 5.306 -5.696 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.791 4.381 -8.046 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.396 5.423 -5.552 1.00 0.00 C ATOM 0 H ILE A 73 -3.091 7.593 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.414 4.774 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.791 6.472 -7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.564 4.313 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.400 6.023 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.877 4.286 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.466 4.578 -9.068 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.338 3.455 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.678 5.241 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.713 6.424 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.880 4.687 -6.194 1.00 0.00 H new ATOM 1097 N THR A 74 -1.288 5.036 -8.915 1.00 0.00 N ATOM 1098 CA THR A 74 -0.734 4.976 -10.267 1.00 0.00 C ATOM 1099 C THR A 74 -1.604 4.065 -11.128 1.00 0.00 C ATOM 1100 O THR A 74 -1.838 2.902 -10.805 1.00 0.00 O ATOM 1101 CB THR A 74 0.755 4.598 -10.230 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.237 4.429 -11.539 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.079 3.316 -9.464 1.00 0.00 C ATOM 0 H THR A 74 -0.868 4.364 -8.272 1.00 0.00 H new ATOM 0 HA THR A 74 -0.758 5.959 -10.738 1.00 0.00 H new ATOM 0 HB THR A 74 1.234 5.424 -9.704 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.187 4.190 -11.509 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.153 3.135 -9.495 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.759 3.421 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.556 2.476 -9.922 1.00 0.00 H new