USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=26 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 13 HIS : no HD1:sc= -0.485 X(o=2.8,f=2.9) USER MOD Set 1.2: A 17 CYS SG : rot -50:sc= 1.93 USER MOD Set 1.3: A 69 TYR OH : rot -25:sc= 1.4 USER MOD Set 2.1: A 3 SER OG : rot -126:sc= 0.744 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0.00937 USER MOD Single : A 4 THR OG1 : rot 14:sc= 0.847 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -164:sc= -0.114 (180deg=-0.442) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= 1.92 (180deg=1.42) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0249 F(o=-0.8,f=-0.025) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 84:sc= 0.0627 USER MOD Single : A 26 SER OG : rot -42:sc= 0.861 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -174:sc= 1.24 USER MOD Single : A 33 SER OG : rot 46:sc= 1.21 USER MOD Single : A 37 SER OG : rot 170:sc= 0.0613 USER MOD Single : A 40 ASN :FLIP amide:sc=-0.00925 F(o=-1.4,f=-0.0093) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= 0.705 (180deg=-0.648!) USER MOD Single : A 65 SER OG : rot 150:sc= -0.249 USER MOD Single : A 72 SER OG : rot 180:sc= 0.218 USER MOD Single : A 74 THR OG1 : rot 170:sc= 0.00171 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -10.630 -12.156 -5.969 1.00 0.00 N ATOM 16 CA ASP A 2 -10.199 -11.014 -5.187 1.00 0.00 C ATOM 17 C ASP A 2 -9.977 -9.790 -6.095 1.00 0.00 C ATOM 18 O ASP A 2 -9.760 -9.910 -7.302 1.00 0.00 O ATOM 19 CB ASP A 2 -8.943 -11.402 -4.391 1.00 0.00 C ATOM 20 CG ASP A 2 -9.167 -12.506 -3.342 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.305 -12.660 -2.848 1.00 0.00 O ATOM 22 OD2 ASP A 2 -8.184 -13.198 -2.991 1.00 0.00 O ATOM 0 HA ASP A 2 -10.973 -10.728 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.174 -11.732 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.558 -10.514 -3.889 1.00 0.00 H new ATOM 27 N SER A 3 -10.025 -8.602 -5.499 1.00 0.00 N ATOM 28 CA SER A 3 -9.700 -7.325 -6.130 1.00 0.00 C ATOM 29 C SER A 3 -8.216 -6.966 -5.927 1.00 0.00 C ATOM 30 O SER A 3 -7.445 -7.718 -5.324 1.00 0.00 O ATOM 31 CB SER A 3 -10.628 -6.239 -5.566 1.00 0.00 C ATOM 32 OG SER A 3 -10.576 -5.040 -6.321 1.00 0.00 O ATOM 0 H SER A 3 -10.303 -8.498 -4.523 1.00 0.00 H new ATOM 0 HA SER A 3 -9.858 -7.401 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.652 -6.612 -5.551 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.350 -6.028 -4.533 1.00 0.00 H new ATOM 0 HG SER A 3 -10.376 -4.287 -5.726 1.00 0.00 H new ATOM 38 N THR A 4 -7.791 -5.810 -6.442 1.00 0.00 N ATOM 39 CA THR A 4 -6.388 -5.376 -6.527 1.00 0.00 C ATOM 40 C THR A 4 -6.325 -3.883 -6.836 1.00 0.00 C ATOM 41 O THR A 4 -7.271 -3.320 -7.384 1.00 0.00 O ATOM 42 CB THR A 4 -5.625 -6.243 -7.550 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.346 -7.477 -6.951 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.266 -5.710 -8.015 1.00 0.00 C ATOM 0 H THR A 4 -8.437 -5.121 -6.827 1.00 0.00 H new ATOM 0 HA THR A 4 -5.892 -5.520 -5.567 1.00 0.00 H new ATOM 0 HB THR A 4 -6.280 -6.274 -8.421 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.883 -7.574 -6.137 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.828 -6.405 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.399 -4.737 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.602 -5.608 -7.156 1.00 0.00 H new ATOM 52 N ALA A 5 -5.219 -3.249 -6.450 1.00 0.00 N ATOM 53 CA ALA A 5 -4.876 -1.863 -6.743 1.00 0.00 C ATOM 54 C ALA A 5 -3.365 -1.603 -6.553 1.00 0.00 C ATOM 55 O ALA A 5 -2.682 -2.364 -5.850 1.00 0.00 O ATOM 56 CB ALA A 5 -5.714 -0.946 -5.849 1.00 0.00 C ATOM 0 H ALA A 5 -4.501 -3.715 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.101 -1.652 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.465 0.094 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.773 -1.113 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.502 -1.165 -4.803 1.00 0.00 H new ATOM 62 N THR A 6 -2.869 -0.509 -7.150 1.00 0.00 N ATOM 63 CA THR A 6 -1.460 -0.081 -7.119 1.00 0.00 C ATOM 64 C THR A 6 -1.344 1.319 -6.544 1.00 0.00 C ATOM 65 O THR A 6 -2.163 2.191 -6.839 1.00 0.00 O ATOM 66 CB THR A 6 -0.849 -0.090 -8.520 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.061 -1.354 -9.098 1.00 0.00 O ATOM 68 CG2 THR A 6 0.658 0.166 -8.491 1.00 0.00 C ATOM 0 H THR A 6 -3.459 0.126 -7.688 1.00 0.00 H new ATOM 0 HA THR A 6 -0.918 -0.787 -6.489 1.00 0.00 H new ATOM 0 HB THR A 6 -1.325 0.705 -9.094 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.674 -1.371 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.049 0.151 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.853 1.140 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.148 -0.610 -7.902 1.00 0.00 H new ATOM 76 N PHE A 7 -0.292 1.526 -5.753 1.00 0.00 N ATOM 77 CA PHE A 7 -0.048 2.732 -4.973 1.00 0.00 C ATOM 78 C PHE A 7 1.449 3.049 -4.898 1.00 0.00 C ATOM 79 O PHE A 7 2.283 2.161 -4.709 1.00 0.00 O ATOM 80 CB PHE A 7 -0.587 2.548 -3.549 1.00 0.00 C ATOM 81 CG PHE A 7 -2.014 2.024 -3.452 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.286 0.637 -3.436 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.090 2.932 -3.445 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.604 0.171 -3.455 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.410 2.457 -3.458 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.668 1.080 -3.467 1.00 0.00 C ATOM 0 H PHE A 7 0.442 0.827 -5.635 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.559 3.559 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.071 1.862 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.534 3.506 -3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.469 -0.069 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.899 3.995 -3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.801 -0.891 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.232 3.157 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.686 0.721 -3.483 1.00 0.00 H new ATOM 96 N ILE A 8 1.812 4.328 -4.970 1.00 0.00 N ATOM 97 CA ILE A 8 3.190 4.809 -4.945 1.00 0.00 C ATOM 98 C ILE A 8 3.369 5.938 -3.934 1.00 0.00 C ATOM 99 O ILE A 8 2.532 6.836 -3.858 1.00 0.00 O ATOM 100 CB ILE A 8 3.598 5.182 -6.387 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.123 5.376 -6.447 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.872 6.412 -6.948 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.711 5.120 -7.835 1.00 0.00 C ATOM 0 H ILE A 8 1.131 5.083 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 8 3.865 4.027 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 8 3.291 4.354 -7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.365 6.393 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.596 4.705 -5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.216 6.606 -7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.798 6.228 -6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.086 7.278 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.790 5.274 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.499 4.094 -8.137 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.264 5.809 -8.552 1.00 0.00 H new ATOM 115 N ILE A 9 4.444 5.841 -3.145 1.00 0.00 N ATOM 116 CA ILE A 9 4.741 6.661 -1.975 1.00 0.00 C ATOM 117 C ILE A 9 6.069 7.423 -2.130 1.00 0.00 C ATOM 118 O ILE A 9 7.146 6.872 -1.904 1.00 0.00 O ATOM 119 CB ILE A 9 4.852 5.800 -0.692 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.853 4.650 -0.461 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.784 6.767 0.501 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.066 3.378 -1.274 1.00 0.00 C ATOM 0 H ILE A 9 5.170 5.146 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 9 3.914 7.366 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 9 5.792 5.261 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.879 4.385 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.851 5.024 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.859 6.203 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.608 7.478 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.837 7.306 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.297 2.649 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.005 3.611 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.049 2.963 -1.050 1.00 0.00 H new ATOM 134 N ASP A 10 6.022 8.715 -2.423 1.00 0.00 N ATOM 135 CA ASP A 10 7.220 9.555 -2.306 1.00 0.00 C ATOM 136 C ASP A 10 7.446 9.960 -0.843 1.00 0.00 C ATOM 137 O ASP A 10 6.535 10.441 -0.172 1.00 0.00 O ATOM 138 CB ASP A 10 7.153 10.785 -3.235 1.00 0.00 C ATOM 139 CG ASP A 10 8.377 10.895 -4.168 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.392 10.184 -3.951 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.272 11.640 -5.163 1.00 0.00 O ATOM 0 H ASP A 10 5.185 9.204 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 10 8.077 8.967 -2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.246 10.731 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.080 11.689 -2.630 1.00 0.00 H new ATOM 146 N GLY A 11 8.647 9.726 -0.324 1.00 0.00 N ATOM 147 CA GLY A 11 9.018 10.094 1.050 1.00 0.00 C ATOM 148 C GLY A 11 9.128 8.876 1.955 1.00 0.00 C ATOM 149 O GLY A 11 9.704 8.962 3.037 1.00 0.00 O ATOM 0 H GLY A 11 9.399 9.273 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.970 10.625 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.275 10.781 1.455 1.00 0.00 H new ATOM 153 N MET A 12 8.642 7.715 1.497 1.00 0.00 N ATOM 154 CA MET A 12 8.954 6.458 2.170 1.00 0.00 C ATOM 155 C MET A 12 10.474 6.281 2.161 1.00 0.00 C ATOM 156 O MET A 12 11.133 6.562 1.164 1.00 0.00 O ATOM 157 CB MET A 12 8.213 5.273 1.530 1.00 0.00 C ATOM 158 CG MET A 12 8.858 4.630 0.304 1.00 0.00 C ATOM 159 SD MET A 12 7.859 3.313 -0.425 1.00 0.00 S ATOM 160 CE MET A 12 8.616 1.832 0.275 1.00 0.00 C ATOM 0 H MET A 12 8.042 7.625 0.677 1.00 0.00 H new ATOM 0 HA MET A 12 8.606 6.488 3.203 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.088 4.502 2.290 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.215 5.610 1.250 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.037 5.398 -0.448 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.830 4.225 0.584 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.299 0.958 -0.294 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.701 1.921 0.228 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.305 1.721 1.314 1.00 0.00 H new ATOM 170 N HIS A 13 11.034 5.754 3.245 1.00 0.00 N ATOM 171 CA HIS A 13 12.476 5.586 3.473 1.00 0.00 C ATOM 172 C HIS A 13 13.199 4.668 2.453 1.00 0.00 C ATOM 173 O HIS A 13 14.302 4.213 2.737 1.00 0.00 O ATOM 174 CB HIS A 13 12.692 5.056 4.905 1.00 0.00 C ATOM 175 CG HIS A 13 12.238 5.931 6.051 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.528 5.711 7.383 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.470 7.064 6.002 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.944 6.675 8.108 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.286 7.518 7.307 1.00 0.00 N ATOM 0 H HIS A 13 10.475 5.415 4.028 1.00 0.00 H new ATOM 0 HA HIS A 13 12.925 6.569 3.334 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.179 4.098 4.990 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.756 4.860 5.034 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.076 7.525 5.108 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.997 6.758 9.183 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.751 8.337 7.595 1.00 0.00 H new ATOM 187 N CYS A 14 12.574 4.288 1.328 1.00 0.00 N ATOM 188 CA CYS A 14 13.170 3.631 0.149 1.00 0.00 C ATOM 189 C CYS A 14 13.607 2.177 0.339 1.00 0.00 C ATOM 190 O CYS A 14 13.755 1.454 -0.634 1.00 0.00 O ATOM 191 CB CYS A 14 14.350 4.475 -0.353 1.00 0.00 C ATOM 192 SG CYS A 14 13.695 5.845 -1.350 1.00 0.00 S ATOM 0 H CYS A 14 11.573 4.440 1.207 1.00 0.00 H new ATOM 0 HA CYS A 14 12.368 3.576 -0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.925 4.860 0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.027 3.863 -0.949 1.00 0.00 H new ATOM 0 HG CYS A 14 14.679 6.575 -1.784 1.00 0.00 H new ATOM 198 N LYS A 15 13.868 1.757 1.569 1.00 0.00 N ATOM 199 CA LYS A 15 14.431 0.463 1.928 1.00 0.00 C ATOM 200 C LYS A 15 13.623 -0.052 3.126 1.00 0.00 C ATOM 201 O LYS A 15 12.568 -0.635 2.913 1.00 0.00 O ATOM 202 CB LYS A 15 15.940 0.676 2.180 1.00 0.00 C ATOM 203 CG LYS A 15 16.819 1.046 0.965 1.00 0.00 C ATOM 204 CD LYS A 15 17.237 -0.104 0.031 1.00 0.00 C ATOM 205 CE LYS A 15 16.208 -0.552 -1.018 1.00 0.00 C ATOM 206 NZ LYS A 15 15.891 0.485 -2.030 1.00 0.00 N ATOM 0 H LYS A 15 13.683 2.340 2.385 1.00 0.00 H new ATOM 0 HA LYS A 15 14.361 -0.302 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.049 1.463 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.340 -0.238 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.283 1.787 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.724 1.528 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.146 0.195 -0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.492 -0.966 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.585 -1.439 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.289 -0.843 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.400 0.046 -2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.278 1.210 -1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.772 0.928 -2.361 1.00 0.00 H new ATOM 220 N SER A 16 13.961 0.281 4.370 1.00 0.00 N ATOM 221 CA SER A 16 13.198 -0.145 5.559 1.00 0.00 C ATOM 222 C SER A 16 11.705 0.239 5.538 1.00 0.00 C ATOM 223 O SER A 16 10.912 -0.457 6.157 1.00 0.00 O ATOM 224 CB SER A 16 13.866 0.411 6.828 1.00 0.00 C ATOM 225 OG SER A 16 15.283 0.408 6.692 1.00 0.00 O ATOM 0 H SER A 16 14.774 0.856 4.591 1.00 0.00 H new ATOM 0 HA SER A 16 13.219 -1.235 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.516 1.426 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.577 -0.190 7.690 1.00 0.00 H new ATOM 0 HG SER A 16 15.691 0.767 7.508 1.00 0.00 H new ATOM 231 N CYS A 17 11.277 1.270 4.783 1.00 0.00 N ATOM 232 CA CYS A 17 9.862 1.534 4.578 1.00 0.00 C ATOM 233 C CYS A 17 9.146 0.409 3.835 1.00 0.00 C ATOM 234 O CYS A 17 8.029 0.113 4.228 1.00 0.00 O ATOM 235 CB CYS A 17 9.706 2.903 3.911 1.00 0.00 C ATOM 236 SG CYS A 17 9.362 4.102 5.233 1.00 0.00 S ATOM 0 H CYS A 17 11.900 1.926 4.311 1.00 0.00 H new ATOM 0 HA CYS A 17 9.363 1.564 5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.613 3.174 3.371 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.894 2.887 3.184 1.00 0.00 H new ATOM 0 HG CYS A 17 8.396 3.658 5.981 1.00 0.00 H new ATOM 242 N VAL A 18 9.777 -0.228 2.847 1.00 0.00 N ATOM 243 CA VAL A 18 9.192 -1.298 2.019 1.00 0.00 C ATOM 244 C VAL A 18 8.562 -2.374 2.919 1.00 0.00 C ATOM 245 O VAL A 18 7.389 -2.709 2.774 1.00 0.00 O ATOM 246 CB VAL A 18 10.298 -1.897 1.098 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.850 -3.103 0.280 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.853 -0.836 0.125 1.00 0.00 C ATOM 0 H VAL A 18 10.740 -0.011 2.589 1.00 0.00 H new ATOM 0 HA VAL A 18 8.402 -0.892 1.388 1.00 0.00 H new ATOM 0 HB VAL A 18 11.070 -2.234 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.680 -3.456 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.530 -3.900 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.020 -2.817 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.622 -1.285 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.045 -0.460 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.284 -0.012 0.693 1.00 0.00 H new ATOM 258 N SER A 19 9.317 -2.770 3.942 1.00 0.00 N ATOM 259 CA SER A 19 8.952 -3.794 4.926 1.00 0.00 C ATOM 260 C SER A 19 7.795 -3.389 5.854 1.00 0.00 C ATOM 261 O SER A 19 6.893 -4.185 6.129 1.00 0.00 O ATOM 262 CB SER A 19 10.221 -4.088 5.726 1.00 0.00 C ATOM 263 OG SER A 19 10.150 -5.346 6.364 1.00 0.00 O ATOM 0 H SER A 19 10.239 -2.371 4.117 1.00 0.00 H new ATOM 0 HA SER A 19 8.578 -4.675 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.085 -4.064 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.371 -3.308 6.473 1.00 0.00 H new ATOM 0 HG SER A 19 10.977 -5.505 6.866 1.00 0.00 H new ATOM 269 N ASN A 20 7.737 -2.119 6.268 1.00 0.00 N ATOM 270 CA ASN A 20 6.558 -1.606 6.961 1.00 0.00 C ATOM 271 C ASN A 20 5.330 -1.652 6.056 1.00 0.00 C ATOM 272 O ASN A 20 4.240 -1.951 6.526 1.00 0.00 O ATOM 273 CB ASN A 20 6.767 -0.152 7.348 1.00 0.00 C ATOM 274 CG ASN A 20 7.958 0.070 8.258 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.722 1.098 7.955 1.00 0.00 O flip ATOM 276 ND2 ASN A 20 8.249 -0.673 9.180 1.00 0.00 N flip ATOM 0 H ASN A 20 8.484 -1.437 6.136 1.00 0.00 H new ATOM 0 HA ASN A 20 6.406 -2.230 7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.897 0.441 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.869 0.216 7.844 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.648 -1.466 9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.093 -0.501 9.727 1.00 0.00 H new ATOM 283 N ILE A 21 5.485 -1.337 4.761 1.00 0.00 N ATOM 284 CA ILE A 21 4.331 -1.282 3.858 1.00 0.00 C ATOM 285 C ILE A 21 3.781 -2.695 3.644 1.00 0.00 C ATOM 286 O ILE A 21 2.569 -2.856 3.725 1.00 0.00 O ATOM 287 CB ILE A 21 4.609 -0.529 2.536 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.584 0.675 2.709 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.234 -0.151 1.944 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.315 1.901 1.831 1.00 0.00 C ATOM 0 H ILE A 21 6.381 -1.121 4.324 1.00 0.00 H new ATOM 0 HA ILE A 21 3.559 -0.681 4.339 1.00 0.00 H new ATOM 0 HB ILE A 21 5.145 -1.168 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.557 0.989 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.597 0.326 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.377 0.385 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.656 -1.056 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.698 0.486 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.058 2.670 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.376 1.617 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.320 2.290 2.045 1.00 0.00 H new ATOM 302 N GLU A 22 4.649 -3.706 3.497 1.00 0.00 N ATOM 303 CA GLU A 22 4.271 -5.122 3.531 1.00 0.00 C ATOM 304 C GLU A 22 3.463 -5.427 4.803 1.00 0.00 C ATOM 305 O GLU A 22 2.334 -5.910 4.729 1.00 0.00 O ATOM 306 CB GLU A 22 5.541 -6.001 3.479 1.00 0.00 C ATOM 307 CG GLU A 22 6.142 -6.114 2.074 1.00 0.00 C ATOM 308 CD GLU A 22 7.584 -6.653 2.077 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.490 -5.918 2.535 1.00 0.00 O ATOM 310 OE2 GLU A 22 7.779 -7.796 1.615 1.00 0.00 O ATOM 0 H GLU A 22 5.647 -3.559 3.349 1.00 0.00 H new ATOM 0 HA GLU A 22 3.648 -5.345 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.289 -5.587 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.299 -6.999 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.516 -6.770 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.128 -5.133 1.599 1.00 0.00 H new ATOM 317 N SER A 23 4.009 -5.117 5.981 1.00 0.00 N ATOM 318 CA SER A 23 3.381 -5.513 7.245 1.00 0.00 C ATOM 319 C SER A 23 2.085 -4.779 7.604 1.00 0.00 C ATOM 320 O SER A 23 1.171 -5.401 8.150 1.00 0.00 O ATOM 321 CB SER A 23 4.371 -5.303 8.391 1.00 0.00 C ATOM 322 OG SER A 23 3.818 -5.791 9.608 1.00 0.00 O ATOM 0 H SER A 23 4.880 -4.596 6.087 1.00 0.00 H new ATOM 0 HA SER A 23 3.110 -6.559 7.102 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.306 -5.820 8.174 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.607 -4.243 8.489 1.00 0.00 H new ATOM 0 HG SER A 23 4.459 -5.654 10.337 1.00 0.00 H new ATOM 328 N THR A 24 2.037 -3.459 7.399 1.00 0.00 N ATOM 329 CA THR A 24 0.916 -2.591 7.781 1.00 0.00 C ATOM 330 C THR A 24 -0.267 -2.808 6.862 1.00 0.00 C ATOM 331 O THR A 24 -1.404 -2.778 7.323 1.00 0.00 O ATOM 332 CB THR A 24 1.363 -1.118 7.815 1.00 0.00 C ATOM 333 OG1 THR A 24 2.360 -1.002 8.802 1.00 0.00 O ATOM 334 CG2 THR A 24 0.239 -0.157 8.204 1.00 0.00 C ATOM 0 H THR A 24 2.798 -2.949 6.950 1.00 0.00 H new ATOM 0 HA THR A 24 0.592 -2.856 8.787 1.00 0.00 H new ATOM 0 HB THR A 24 1.703 -0.854 6.814 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.228 -1.253 8.422 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.619 0.865 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.574 -0.238 7.483 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.130 -0.412 9.197 1.00 0.00 H new ATOM 342 N LEU A 25 -0.008 -3.050 5.577 1.00 0.00 N ATOM 343 CA LEU A 25 -1.041 -3.434 4.625 1.00 0.00 C ATOM 344 C LEU A 25 -1.461 -4.881 4.811 1.00 0.00 C ATOM 345 O LEU A 25 -2.656 -5.113 4.916 1.00 0.00 O ATOM 346 CB LEU A 25 -0.574 -3.187 3.189 1.00 0.00 C ATOM 347 CG LEU A 25 -0.544 -1.716 2.715 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.900 -1.378 2.084 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.199 -0.679 3.803 1.00 0.00 C ATOM 0 H LEU A 25 0.925 -2.984 5.170 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.914 -2.810 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.429 -3.600 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.224 -3.748 2.518 1.00 0.00 H new ATOM 0 HG LEU A 25 0.271 -1.646 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.895 -0.342 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.081 -2.038 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.689 -1.513 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.204 0.320 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.938 -0.731 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.790 -0.893 4.209 1.00 0.00 H new ATOM 361 N SER A 26 -0.547 -5.858 4.888 1.00 0.00 N ATOM 362 CA SER A 26 -0.932 -7.287 4.931 1.00 0.00 C ATOM 363 C SER A 26 -1.579 -7.717 6.268 1.00 0.00 C ATOM 364 O SER A 26 -1.664 -8.908 6.575 1.00 0.00 O ATOM 365 CB SER A 26 0.263 -8.188 4.586 1.00 0.00 C ATOM 366 OG SER A 26 -0.151 -9.536 4.443 1.00 0.00 O ATOM 0 H SER A 26 0.459 -5.693 4.922 1.00 0.00 H new ATOM 0 HA SER A 26 -1.703 -7.412 4.171 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.728 -7.845 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.018 -8.115 5.369 1.00 0.00 H new ATOM 0 HG SER A 26 -0.796 -9.757 5.147 1.00 0.00 H new ATOM 372 N ALA A 27 -2.038 -6.751 7.063 1.00 0.00 N ATOM 373 CA ALA A 27 -2.747 -6.945 8.323 1.00 0.00 C ATOM 374 C ALA A 27 -4.231 -6.541 8.234 1.00 0.00 C ATOM 375 O ALA A 27 -4.956 -6.653 9.224 1.00 0.00 O ATOM 376 CB ALA A 27 -2.003 -6.126 9.389 1.00 0.00 C ATOM 0 H ALA A 27 -1.919 -5.765 6.833 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.755 -8.004 8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.502 -6.243 10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.975 -6.480 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.004 -5.074 9.105 1.00 0.00 H new ATOM 382 N LEU A 28 -4.706 -6.026 7.090 1.00 0.00 N ATOM 383 CA LEU A 28 -6.035 -5.424 7.005 1.00 0.00 C ATOM 384 C LEU A 28 -7.131 -6.498 6.938 1.00 0.00 C ATOM 385 O LEU A 28 -7.055 -7.432 6.141 1.00 0.00 O ATOM 386 CB LEU A 28 -6.106 -4.456 5.809 1.00 0.00 C ATOM 387 CG LEU A 28 -5.105 -3.283 5.875 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.846 -2.698 4.481 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.632 -2.178 6.789 1.00 0.00 C ATOM 0 H LEU A 28 -4.185 -6.017 6.213 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.213 -4.849 7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.928 -5.018 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.116 -4.052 5.744 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.170 -3.674 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.137 -1.874 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.434 -3.471 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.783 -2.333 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.913 -1.360 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.583 -1.810 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.777 -2.575 7.794 1.00 0.00 H new ATOM 401 N GLN A 29 -8.208 -6.303 7.703 1.00 0.00 N ATOM 402 CA GLN A 29 -9.346 -7.229 7.855 1.00 0.00 C ATOM 403 C GLN A 29 -10.051 -7.669 6.557 1.00 0.00 C ATOM 404 O GLN A 29 -10.908 -8.543 6.606 1.00 0.00 O ATOM 405 CB GLN A 29 -10.367 -6.582 8.811 1.00 0.00 C ATOM 406 CG GLN A 29 -11.097 -5.380 8.181 1.00 0.00 C ATOM 407 CD GLN A 29 -11.954 -4.648 9.204 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.551 -3.651 9.774 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.146 -5.116 9.508 1.00 0.00 N ATOM 0 H GLN A 29 -8.321 -5.457 8.262 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.923 -8.153 8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.101 -7.330 9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.854 -6.256 9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.366 -4.691 7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.725 -5.724 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.501 -5.950 9.041 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.715 -4.644 10.211 1.00 0.00 H new ATOM 418 N TYR A 30 -9.726 -7.046 5.422 1.00 0.00 N ATOM 419 CA TYR A 30 -10.229 -7.377 4.088 1.00 0.00 C ATOM 420 C TYR A 30 -9.148 -7.755 3.058 1.00 0.00 C ATOM 421 O TYR A 30 -9.513 -8.072 1.932 1.00 0.00 O ATOM 422 CB TYR A 30 -11.042 -6.177 3.568 1.00 0.00 C ATOM 423 CG TYR A 30 -10.487 -4.784 3.861 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.148 -4.434 3.574 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.336 -3.823 4.448 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.686 -3.134 3.837 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.869 -2.529 4.745 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.538 -2.178 4.431 1.00 0.00 C ATOM 429 OH TYR A 30 -9.074 -0.929 4.706 1.00 0.00 O ATOM 0 H TYR A 30 -9.075 -6.261 5.408 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.839 -8.273 4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.145 -6.280 2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.045 -6.238 3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.478 -5.168 3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.360 -4.084 4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.672 -2.864 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.525 -1.808 5.211 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.789 -0.396 5.112 1.00 0.00 H new ATOM 439 N VAL A 31 -7.843 -7.668 3.345 1.00 0.00 N ATOM 440 CA VAL A 31 -6.816 -7.829 2.291 1.00 0.00 C ATOM 441 C VAL A 31 -6.370 -9.290 2.193 1.00 0.00 C ATOM 442 O VAL A 31 -6.227 -9.979 3.198 1.00 0.00 O ATOM 443 CB VAL A 31 -5.650 -6.824 2.386 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.750 -7.094 3.545 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.735 -6.767 1.149 1.00 0.00 C ATOM 0 H VAL A 31 -7.471 -7.491 4.278 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.288 -7.570 1.343 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.176 -5.875 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.948 -6.356 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.321 -7.031 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.323 -8.092 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.947 -6.032 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.288 -7.747 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.321 -6.482 0.276 1.00 0.00 H new ATOM 455 N SER A 32 -6.210 -9.766 0.963 1.00 0.00 N ATOM 456 CA SER A 32 -5.865 -11.155 0.636 1.00 0.00 C ATOM 457 C SER A 32 -4.350 -11.325 0.446 1.00 0.00 C ATOM 458 O SER A 32 -3.783 -12.372 0.750 1.00 0.00 O ATOM 459 CB SER A 32 -6.640 -11.519 -0.641 1.00 0.00 C ATOM 460 OG SER A 32 -6.424 -12.848 -1.066 1.00 0.00 O ATOM 0 H SER A 32 -6.319 -9.180 0.135 1.00 0.00 H new ATOM 0 HA SER A 32 -6.141 -11.823 1.452 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.705 -11.370 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.350 -10.837 -1.441 1.00 0.00 H new ATOM 0 HG SER A 32 -6.865 -12.991 -1.930 1.00 0.00 H new ATOM 466 N SER A 33 -3.660 -10.280 -0.022 1.00 0.00 N ATOM 467 CA SER A 33 -2.263 -10.321 -0.457 1.00 0.00 C ATOM 468 C SER A 33 -1.706 -8.939 -0.819 1.00 0.00 C ATOM 469 O SER A 33 -2.399 -7.923 -0.874 1.00 0.00 O ATOM 470 CB SER A 33 -2.123 -11.291 -1.641 1.00 0.00 C ATOM 471 OG SER A 33 -1.899 -12.597 -1.162 1.00 0.00 O ATOM 0 H SER A 33 -4.074 -9.352 -0.111 1.00 0.00 H new ATOM 0 HA SER A 33 -1.669 -10.675 0.385 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.026 -11.267 -2.252 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.297 -10.982 -2.281 1.00 0.00 H new ATOM 0 HG SER A 33 -2.522 -12.789 -0.430 1.00 0.00 H new ATOM 477 N ILE A 34 -0.413 -8.916 -1.109 1.00 0.00 N ATOM 478 CA ILE A 34 0.406 -7.742 -1.410 1.00 0.00 C ATOM 479 C ILE A 34 1.736 -8.194 -2.022 1.00 0.00 C ATOM 480 O ILE A 34 2.211 -9.291 -1.743 1.00 0.00 O ATOM 481 CB ILE A 34 0.601 -6.868 -0.140 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.388 -5.573 -0.446 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.277 -7.643 1.009 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.263 -4.516 0.654 1.00 0.00 C ATOM 0 H ILE A 34 0.134 -9.776 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.103 -7.114 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.401 -6.591 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.440 -5.820 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.032 -5.153 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.390 -6.988 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.661 -8.500 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.258 -7.990 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.839 -3.633 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.215 -4.242 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.646 -4.919 1.591 1.00 0.00 H new ATOM 496 N VAL A 35 2.300 -7.333 -2.862 1.00 0.00 N ATOM 497 CA VAL A 35 3.665 -7.366 -3.398 1.00 0.00 C ATOM 498 C VAL A 35 4.163 -5.927 -3.387 1.00 0.00 C ATOM 499 O VAL A 35 3.390 -4.996 -3.596 1.00 0.00 O ATOM 500 CB VAL A 35 3.715 -7.940 -4.837 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.043 -7.676 -5.577 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.515 -9.458 -4.793 1.00 0.00 C ATOM 0 H VAL A 35 1.779 -6.531 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 35 4.290 -8.020 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 35 2.921 -7.428 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.995 -8.110 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.208 -6.601 -5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.865 -8.130 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.551 -9.859 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.305 -9.912 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.547 -9.685 -4.347 1.00 0.00 H new ATOM 512 N VAL A 36 5.457 -5.736 -3.168 1.00 0.00 N ATOM 513 CA VAL A 36 6.083 -4.404 -3.163 1.00 0.00 C ATOM 514 C VAL A 36 7.423 -4.458 -3.903 1.00 0.00 C ATOM 515 O VAL A 36 8.044 -5.519 -3.985 1.00 0.00 O ATOM 516 CB VAL A 36 6.186 -3.881 -1.709 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.182 -4.713 -0.900 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.515 -2.383 -1.611 1.00 0.00 C ATOM 0 H VAL A 36 6.111 -6.497 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 36 5.467 -3.685 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 36 5.191 -3.997 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.237 -4.326 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.853 -5.752 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.167 -4.654 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.571 -2.091 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.473 -2.189 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.735 -1.806 -2.108 1.00 0.00 H new ATOM 528 N SER A 37 7.858 -3.336 -4.481 1.00 0.00 N ATOM 529 CA SER A 37 9.206 -3.254 -5.053 1.00 0.00 C ATOM 530 C SER A 37 10.252 -2.897 -3.992 1.00 0.00 C ATOM 531 O SER A 37 10.008 -2.096 -3.092 1.00 0.00 O ATOM 532 CB SER A 37 9.273 -2.261 -6.212 1.00 0.00 C ATOM 533 OG SER A 37 10.414 -2.502 -7.025 1.00 0.00 O ATOM 0 H SER A 37 7.306 -2.482 -4.566 1.00 0.00 H new ATOM 0 HA SER A 37 9.437 -4.246 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.369 -2.340 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.308 -1.244 -5.822 1.00 0.00 H new ATOM 0 HG SER A 37 10.352 -1.966 -7.843 1.00 0.00 H new ATOM 539 N LEU A 38 11.453 -3.467 -4.123 1.00 0.00 N ATOM 540 CA LEU A 38 12.585 -3.113 -3.264 1.00 0.00 C ATOM 541 C LEU A 38 13.414 -1.945 -3.819 1.00 0.00 C ATOM 542 O LEU A 38 14.164 -1.332 -3.067 1.00 0.00 O ATOM 543 CB LEU A 38 13.457 -4.354 -3.021 1.00 0.00 C ATOM 544 CG LEU A 38 13.659 -4.652 -1.518 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.415 -5.975 -1.349 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.423 -3.549 -0.767 1.00 0.00 C ATOM 0 H LEU A 38 11.667 -4.180 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 38 12.182 -2.765 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.996 -5.217 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.429 -4.209 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 38 12.661 -4.707 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.555 -6.181 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.841 -6.783 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.387 -5.903 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.527 -3.828 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.412 -3.426 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.873 -2.611 -0.841 1.00 0.00 H new ATOM 558 N GLU A 39 13.343 -1.651 -5.119 1.00 0.00 N ATOM 559 CA GLU A 39 13.888 -0.443 -5.720 1.00 0.00 C ATOM 560 C GLU A 39 12.824 0.657 -5.644 1.00 0.00 C ATOM 561 O GLU A 39 12.987 1.660 -4.951 1.00 0.00 O ATOM 562 CB GLU A 39 14.277 -0.803 -7.162 1.00 0.00 C ATOM 563 CG GLU A 39 15.220 0.188 -7.832 1.00 0.00 C ATOM 564 CD GLU A 39 14.486 1.301 -8.577 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.162 1.070 -9.762 1.00 0.00 O ATOM 566 OE2 GLU A 39 14.197 2.336 -7.939 1.00 0.00 O ATOM 0 H GLU A 39 12.892 -2.266 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 39 14.772 -0.067 -5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.745 -1.787 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.369 -0.882 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.869 0.631 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.863 -0.347 -8.531 1.00 0.00 H new ATOM 573 N ASN A 40 11.678 0.398 -6.279 1.00 0.00 N ATOM 574 CA ASN A 40 10.638 1.406 -6.490 1.00 0.00 C ATOM 575 C ASN A 40 9.814 1.613 -5.224 1.00 0.00 C ATOM 576 O ASN A 40 9.443 0.674 -4.528 1.00 0.00 O ATOM 577 CB ASN A 40 9.709 1.047 -7.666 1.00 0.00 C ATOM 578 CG ASN A 40 10.374 1.291 -9.006 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.480 0.616 -9.231 1.00 0.00 O flip ATOM 580 ND2 ASN A 40 9.907 2.085 -9.809 1.00 0.00 N flip ATOM 0 H ASN A 40 11.446 -0.518 -6.662 1.00 0.00 H new ATOM 0 HA ASN A 40 11.150 2.335 -6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.417 -0.000 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.796 1.638 -7.601 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.046 2.585 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.378 2.247 -10.699 1.00 0.00 H new ATOM 587 N ARG A 41 9.423 2.860 -4.983 1.00 0.00 N ATOM 588 CA ARG A 41 8.682 3.270 -3.793 1.00 0.00 C ATOM 589 C ARG A 41 7.172 2.961 -3.896 1.00 0.00 C ATOM 590 O ARG A 41 6.332 3.801 -3.585 1.00 0.00 O ATOM 591 CB ARG A 41 8.989 4.749 -3.501 1.00 0.00 C ATOM 592 CG ARG A 41 10.443 5.039 -3.146 1.00 0.00 C ATOM 593 CD ARG A 41 11.196 5.554 -4.354 1.00 0.00 C ATOM 594 NE ARG A 41 10.908 6.973 -4.638 1.00 0.00 N ATOM 595 CZ ARG A 41 11.333 7.658 -5.690 1.00 0.00 C ATOM 596 NH1 ARG A 41 12.129 7.122 -6.598 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.951 8.906 -5.840 1.00 0.00 N ATOM 0 H ARG A 41 9.616 3.631 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 41 9.015 2.678 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.717 5.342 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.355 5.082 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.487 5.775 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.920 4.132 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.267 5.430 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.934 4.952 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 41 10.329 7.472 -3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.434 6.154 -6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.438 7.677 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.334 9.337 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.271 9.444 -6.645 1.00 0.00 H new ATOM 611 N SER A 42 6.790 1.787 -4.400 1.00 0.00 N ATOM 612 CA SER A 42 5.398 1.423 -4.703 1.00 0.00 C ATOM 613 C SER A 42 5.044 -0.020 -4.355 1.00 0.00 C ATOM 614 O SER A 42 5.867 -0.929 -4.491 1.00 0.00 O ATOM 615 CB SER A 42 5.093 1.585 -6.196 1.00 0.00 C ATOM 616 OG SER A 42 6.134 1.077 -7.010 1.00 0.00 O ATOM 0 H SER A 42 7.453 1.042 -4.615 1.00 0.00 H new ATOM 0 HA SER A 42 4.808 2.100 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.163 1.069 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.939 2.640 -6.422 1.00 0.00 H new ATOM 0 HG SER A 42 5.900 1.198 -7.954 1.00 0.00 H new ATOM 622 N ALA A 43 3.764 -0.210 -4.030 1.00 0.00 N ATOM 623 CA ALA A 43 3.133 -1.464 -3.642 1.00 0.00 C ATOM 624 C ALA A 43 1.955 -1.787 -4.574 1.00 0.00 C ATOM 625 O ALA A 43 1.238 -0.897 -5.036 1.00 0.00 O ATOM 626 CB ALA A 43 2.676 -1.335 -2.177 1.00 0.00 C ATOM 0 H ALA A 43 3.099 0.564 -4.032 1.00 0.00 H new ATOM 0 HA ALA A 43 3.840 -2.289 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.199 -2.263 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.540 -1.137 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.965 -0.514 -2.089 1.00 0.00 H new ATOM 632 N ILE A 44 1.751 -3.080 -4.817 1.00 0.00 N ATOM 633 CA ILE A 44 0.600 -3.671 -5.503 1.00 0.00 C ATOM 634 C ILE A 44 -0.102 -4.526 -4.447 1.00 0.00 C ATOM 635 O ILE A 44 0.492 -5.461 -3.906 1.00 0.00 O ATOM 636 CB ILE A 44 1.068 -4.493 -6.723 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.787 -3.574 -7.741 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.144 -5.188 -7.373 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.512 -4.342 -8.853 1.00 0.00 C ATOM 0 H ILE A 44 2.425 -3.787 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.085 -2.923 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 44 1.775 -5.256 -6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.056 -2.902 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.508 -2.952 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.188 -5.768 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.615 -5.852 -6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.864 -4.436 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.993 -3.635 -9.529 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.267 -4.994 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.792 -4.944 -9.408 1.00 0.00 H new ATOM 651 N VAL A 45 -1.334 -4.167 -4.111 1.00 0.00 N ATOM 652 CA VAL A 45 -2.073 -4.685 -2.952 1.00 0.00 C ATOM 653 C VAL A 45 -3.336 -5.387 -3.458 1.00 0.00 C ATOM 654 O VAL A 45 -4.038 -4.834 -4.302 1.00 0.00 O ATOM 655 CB VAL A 45 -2.438 -3.528 -2.006 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.062 -4.077 -0.714 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.239 -2.627 -1.649 1.00 0.00 C ATOM 0 H VAL A 45 -1.869 -3.486 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.459 -5.395 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.155 -2.909 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.316 -3.249 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.964 -4.638 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.349 -4.734 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.568 -1.832 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.471 -3.222 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.830 -2.188 -2.559 1.00 0.00 H new ATOM 667 N VAL A 46 -3.625 -6.583 -2.948 1.00 0.00 N ATOM 668 CA VAL A 46 -4.631 -7.518 -3.468 1.00 0.00 C ATOM 669 C VAL A 46 -5.657 -7.781 -2.359 1.00 0.00 C ATOM 670 O VAL A 46 -5.320 -8.401 -1.359 1.00 0.00 O ATOM 671 CB VAL A 46 -3.908 -8.825 -3.887 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.847 -9.897 -4.451 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.747 -8.586 -4.875 1.00 0.00 C ATOM 0 H VAL A 46 -3.145 -6.946 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.150 -7.112 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.495 -9.202 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.269 -10.781 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.588 -10.164 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.352 -9.509 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.283 -9.539 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.131 -8.117 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.006 -7.933 -4.414 1.00 0.00 H new ATOM 683 N TYR A 47 -6.893 -7.291 -2.482 1.00 0.00 N ATOM 684 CA TYR A 47 -7.878 -7.265 -1.386 1.00 0.00 C ATOM 685 C TYR A 47 -9.226 -7.902 -1.752 1.00 0.00 C ATOM 686 O TYR A 47 -9.689 -7.800 -2.884 1.00 0.00 O ATOM 687 CB TYR A 47 -8.068 -5.821 -0.894 1.00 0.00 C ATOM 688 CG TYR A 47 -8.688 -4.874 -1.912 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.885 -4.337 -2.935 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.052 -4.526 -1.846 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.421 -3.437 -3.870 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.605 -3.641 -2.797 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.786 -3.088 -3.807 1.00 0.00 C ATOM 694 OH TYR A 47 -10.301 -2.239 -4.735 1.00 0.00 O ATOM 0 H TYR A 47 -7.247 -6.896 -3.353 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.473 -7.880 -0.582 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.696 -5.836 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.098 -5.424 -0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.845 -4.620 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.676 -4.937 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.789 -3.013 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.654 -3.387 -2.753 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.254 -2.098 -4.556 1.00 0.00 H new ATOM 704 N ASN A 48 -9.889 -8.533 -0.787 1.00 0.00 N ATOM 705 CA ASN A 48 -11.179 -9.179 -0.997 1.00 0.00 C ATOM 706 C ASN A 48 -12.325 -8.164 -0.831 1.00 0.00 C ATOM 707 O ASN A 48 -12.504 -7.577 0.235 1.00 0.00 O ATOM 708 CB ASN A 48 -11.318 -10.377 -0.046 1.00 0.00 C ATOM 709 CG ASN A 48 -12.591 -11.152 -0.355 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.643 -10.912 0.213 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.564 -12.042 -1.326 1.00 0.00 N ATOM 0 H ASN A 48 -9.543 -8.610 0.169 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.238 -9.557 -2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.452 -11.032 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.337 -10.030 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.420 -12.526 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.687 -12.247 -1.805 1.00 0.00 H new ATOM 780 N PRO A 54 -9.867 1.281 -3.412 1.00 0.00 N ATOM 781 CA PRO A 54 -8.443 1.586 -3.320 1.00 0.00 C ATOM 782 C PRO A 54 -8.137 2.773 -2.396 1.00 0.00 C ATOM 783 O PRO A 54 -7.049 2.814 -1.830 1.00 0.00 O ATOM 784 CB PRO A 54 -8.006 1.872 -4.762 1.00 0.00 C ATOM 785 CG PRO A 54 -9.278 2.393 -5.426 1.00 0.00 C ATOM 786 CD PRO A 54 -10.330 1.503 -4.771 1.00 0.00 C ATOM 0 HA PRO A 54 -7.898 0.754 -2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.204 2.609 -4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.636 0.973 -5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.447 3.450 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.256 2.277 -6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.308 1.984 -4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.434 0.560 -5.308 1.00 0.00 H new ATOM 794 N GLU A 55 -9.088 3.696 -2.189 1.00 0.00 N ATOM 795 CA GLU A 55 -8.995 4.769 -1.190 1.00 0.00 C ATOM 796 C GLU A 55 -8.585 4.239 0.195 1.00 0.00 C ATOM 797 O GLU A 55 -7.748 4.839 0.859 1.00 0.00 O ATOM 798 CB GLU A 55 -10.357 5.492 -1.100 1.00 0.00 C ATOM 799 CG GLU A 55 -10.308 6.972 -1.518 1.00 0.00 C ATOM 800 CD GLU A 55 -9.504 7.868 -0.572 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.917 8.067 0.586 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.450 8.408 -0.978 1.00 0.00 O ATOM 0 H GLU A 55 -9.958 3.717 -2.721 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.218 5.464 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.076 4.970 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.725 5.426 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.879 7.041 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.327 7.353 -1.582 1.00 0.00 H new ATOM 809 N SER A 56 -9.110 3.091 0.628 1.00 0.00 N ATOM 810 CA SER A 56 -8.845 2.529 1.946 1.00 0.00 C ATOM 811 C SER A 56 -7.431 1.958 2.063 1.00 0.00 C ATOM 812 O SER A 56 -6.787 2.091 3.103 1.00 0.00 O ATOM 813 CB SER A 56 -9.849 1.407 2.221 1.00 0.00 C ATOM 814 OG SER A 56 -11.161 1.726 1.770 1.00 0.00 O ATOM 0 H SER A 56 -9.739 2.521 0.062 1.00 0.00 H new ATOM 0 HA SER A 56 -8.942 3.336 2.672 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.512 0.494 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.876 1.202 3.291 1.00 0.00 H new ATOM 0 HG SER A 56 -11.765 0.979 1.966 1.00 0.00 H new ATOM 820 N LEU A 57 -6.934 1.320 0.996 1.00 0.00 N ATOM 821 CA LEU A 57 -5.571 0.798 0.983 1.00 0.00 C ATOM 822 C LEU A 57 -4.565 1.953 0.937 1.00 0.00 C ATOM 823 O LEU A 57 -3.642 1.960 1.743 1.00 0.00 O ATOM 824 CB LEU A 57 -5.374 -0.165 -0.188 1.00 0.00 C ATOM 825 CG LEU A 57 -6.280 -1.415 -0.238 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.842 -2.230 -1.459 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.239 -2.297 1.020 1.00 0.00 C ATOM 0 H LEU A 57 -7.457 1.156 0.136 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.398 0.236 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.519 0.394 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.337 -0.500 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.313 -1.074 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.456 -3.127 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.962 -1.629 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.796 -2.515 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.907 -3.148 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.222 -2.655 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.559 -1.714 1.884 1.00 0.00 H new ATOM 839 N ARG A 58 -4.786 2.965 0.086 1.00 0.00 N ATOM 840 CA ARG A 58 -4.057 4.235 0.095 1.00 0.00 C ATOM 841 C ARG A 58 -3.973 4.793 1.523 1.00 0.00 C ATOM 842 O ARG A 58 -2.878 5.016 2.036 1.00 0.00 O ATOM 843 CB ARG A 58 -4.791 5.186 -0.862 1.00 0.00 C ATOM 844 CG ARG A 58 -4.380 6.660 -0.766 1.00 0.00 C ATOM 845 CD ARG A 58 -5.596 7.563 -0.517 1.00 0.00 C ATOM 846 NE ARG A 58 -5.169 8.875 -0.014 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.483 10.077 -0.463 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.489 10.279 -1.284 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.788 11.099 -0.028 1.00 0.00 N ATOM 0 H ARG A 58 -5.496 2.919 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.028 4.106 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.625 4.846 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.862 5.111 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.659 6.787 0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.883 6.962 -1.688 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.159 7.687 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.265 7.091 0.203 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.545 8.855 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.058 9.492 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.700 11.222 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.029 10.953 0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.006 12.040 -0.356 1.00 0.00 H new ATOM 863 N LYS A 59 -5.119 4.941 2.189 1.00 0.00 N ATOM 864 CA LYS A 59 -5.204 5.290 3.609 1.00 0.00 C ATOM 865 C LYS A 59 -4.360 4.388 4.528 1.00 0.00 C ATOM 866 O LYS A 59 -3.680 4.911 5.402 1.00 0.00 O ATOM 867 CB LYS A 59 -6.680 5.271 4.040 1.00 0.00 C ATOM 868 CG LYS A 59 -7.259 6.678 4.201 1.00 0.00 C ATOM 869 CD LYS A 59 -7.269 7.461 2.890 1.00 0.00 C ATOM 870 CE LYS A 59 -7.878 8.849 3.080 1.00 0.00 C ATOM 871 NZ LYS A 59 -7.984 9.536 1.777 1.00 0.00 N ATOM 0 H LYS A 59 -6.031 4.820 1.749 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.782 6.289 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.264 4.723 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.773 4.733 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.276 6.607 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.676 7.225 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.251 7.556 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.837 6.911 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.864 8.763 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.261 9.436 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.831 10.556 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.265 9.159 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.931 9.377 1.377 1.00 0.00 H new ATOM 885 N ALA A 60 -4.353 3.062 4.341 1.00 0.00 N ATOM 886 CA ALA A 60 -3.551 2.152 5.167 1.00 0.00 C ATOM 887 C ALA A 60 -2.037 2.343 4.968 1.00 0.00 C ATOM 888 O ALA A 60 -1.263 2.130 5.897 1.00 0.00 O ATOM 889 CB ALA A 60 -3.985 0.716 4.872 1.00 0.00 C ATOM 0 H ALA A 60 -4.899 2.593 3.618 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.733 2.383 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.398 0.027 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.042 0.599 5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.825 0.497 3.816 1.00 0.00 H new ATOM 895 N ILE A 61 -1.617 2.805 3.782 1.00 0.00 N ATOM 896 CA ILE A 61 -0.246 3.239 3.514 1.00 0.00 C ATOM 897 C ILE A 61 0.023 4.576 4.206 1.00 0.00 C ATOM 898 O ILE A 61 0.923 4.643 5.042 1.00 0.00 O ATOM 899 CB ILE A 61 0.061 3.271 1.990 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.334 2.000 1.213 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.565 3.487 1.800 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.302 2.136 -0.313 1.00 0.00 C ATOM 0 H ILE A 61 -2.232 2.887 2.972 1.00 0.00 H new ATOM 0 HA ILE A 61 0.444 2.507 3.935 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.547 4.081 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.336 1.191 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.339 1.706 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.797 3.512 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.857 4.432 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.112 2.671 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.595 1.190 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.995 2.918 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.707 2.396 -0.634 1.00 0.00 H new ATOM 914 N GLU A 62 -0.796 5.607 3.958 1.00 0.00 N ATOM 915 CA GLU A 62 -0.680 6.918 4.609 1.00 0.00 C ATOM 916 C GLU A 62 -0.657 6.784 6.139 1.00 0.00 C ATOM 917 O GLU A 62 0.001 7.573 6.802 1.00 0.00 O ATOM 918 CB GLU A 62 -1.832 7.862 4.199 1.00 0.00 C ATOM 919 CG GLU A 62 -1.813 8.327 2.734 1.00 0.00 C ATOM 920 CD GLU A 62 -2.991 9.228 2.339 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.154 8.819 2.542 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.789 10.267 1.670 1.00 0.00 O ATOM 0 H GLU A 62 -1.567 5.553 3.292 1.00 0.00 H new ATOM 0 HA GLU A 62 0.264 7.348 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.779 7.357 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.805 8.742 4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.883 8.864 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.810 7.450 2.087 1.00 0.00 H new ATOM 929 N ALA A 63 -1.295 5.752 6.705 1.00 0.00 N ATOM 930 CA ALA A 63 -1.374 5.525 8.146 1.00 0.00 C ATOM 931 C ALA A 63 -0.120 4.897 8.771 1.00 0.00 C ATOM 932 O ALA A 63 -0.066 4.770 9.991 1.00 0.00 O ATOM 933 CB ALA A 63 -2.633 4.700 8.449 1.00 0.00 C ATOM 0 H ALA A 63 -1.779 5.039 6.159 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.437 6.505 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.703 4.524 9.522 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.515 5.245 8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.576 3.745 7.928 1.00 0.00 H new ATOM 939 N VAL A 64 0.890 4.564 7.964 1.00 0.00 N ATOM 940 CA VAL A 64 2.165 4.001 8.441 1.00 0.00 C ATOM 941 C VAL A 64 3.146 5.120 8.792 1.00 0.00 C ATOM 942 O VAL A 64 3.826 5.054 9.810 1.00 0.00 O ATOM 943 CB VAL A 64 2.747 2.950 7.474 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.631 3.432 6.347 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.605 1.964 8.266 1.00 0.00 C ATOM 0 H VAL A 64 0.850 4.677 6.951 1.00 0.00 H new ATOM 0 HA VAL A 64 1.969 3.449 9.361 1.00 0.00 H new ATOM 0 HB VAL A 64 1.852 2.537 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.963 2.579 5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.070 4.119 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.499 3.946 6.760 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.020 1.217 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.417 2.501 8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.990 1.470 9.018 1.00 0.00 H new ATOM 955 N SER A 65 3.160 6.184 7.982 1.00 0.00 N ATOM 956 CA SER A 65 3.779 7.457 8.359 1.00 0.00 C ATOM 957 C SER A 65 2.882 8.633 7.949 1.00 0.00 C ATOM 958 O SER A 65 3.181 9.315 6.954 1.00 0.00 O ATOM 959 CB SER A 65 5.169 7.686 7.797 1.00 0.00 C ATOM 960 OG SER A 65 5.741 8.777 8.495 1.00 0.00 O ATOM 0 H SER A 65 2.744 6.186 7.051 1.00 0.00 H new ATOM 0 HA SER A 65 3.889 7.399 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.782 6.792 7.916 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.120 7.899 6.729 1.00 0.00 H new ATOM 0 HG SER A 65 6.714 8.667 8.533 1.00 0.00 H new ATOM 966 N PRO A 66 1.810 8.900 8.714 1.00 0.00 N ATOM 967 CA PRO A 66 0.960 10.060 8.522 1.00 0.00 C ATOM 968 C PRO A 66 1.812 11.326 8.557 1.00 0.00 C ATOM 969 O PRO A 66 2.458 11.633 9.558 1.00 0.00 O ATOM 970 CB PRO A 66 -0.120 9.991 9.612 1.00 0.00 C ATOM 971 CG PRO A 66 0.413 8.962 10.615 1.00 0.00 C ATOM 972 CD PRO A 66 1.235 8.037 9.726 1.00 0.00 C ATOM 0 HA PRO A 66 0.465 10.077 7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.272 10.962 10.083 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.081 9.683 9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.022 9.427 11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.394 8.430 11.119 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.011 7.528 10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.611 7.264 9.277 1.00 0.00 H new ATOM 980 N GLY A 67 1.838 12.025 7.420 1.00 0.00 N ATOM 981 CA GLY A 67 2.627 13.236 7.205 1.00 0.00 C ATOM 982 C GLY A 67 3.927 13.042 6.421 1.00 0.00 C ATOM 983 O GLY A 67 4.386 14.026 5.845 1.00 0.00 O ATOM 0 H GLY A 67 1.294 11.755 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.009 13.963 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.869 13.669 8.176 1.00 0.00 H new ATOM 987 N LEU A 68 4.524 11.839 6.343 1.00 0.00 N ATOM 988 CA LEU A 68 5.733 11.623 5.527 1.00 0.00 C ATOM 989 C LEU A 68 5.412 11.082 4.123 1.00 0.00 C ATOM 990 O LEU A 68 6.183 11.236 3.181 1.00 0.00 O ATOM 991 CB LEU A 68 6.570 10.602 6.293 1.00 0.00 C ATOM 992 CG LEU A 68 8.029 10.461 5.846 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.917 11.402 6.664 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.494 9.027 6.072 1.00 0.00 C ATOM 0 H LEU A 68 4.192 11.007 6.831 1.00 0.00 H new ATOM 0 HA LEU A 68 6.253 12.569 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.558 10.871 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.088 9.628 6.207 1.00 0.00 H new ATOM 0 HG LEU A 68 8.102 10.715 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.953 11.297 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.593 12.432 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.839 11.149 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.532 8.927 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.413 8.781 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.870 8.347 5.493 1.00 0.00 H new ATOM 1006 N TYR A 69 4.283 10.389 4.001 1.00 0.00 N ATOM 1007 CA TYR A 69 3.948 9.568 2.843 1.00 0.00 C ATOM 1008 C TYR A 69 3.150 10.271 1.721 1.00 0.00 C ATOM 1009 O TYR A 69 1.922 10.391 1.779 1.00 0.00 O ATOM 1010 CB TYR A 69 3.202 8.333 3.384 1.00 0.00 C ATOM 1011 CG TYR A 69 4.061 7.154 3.801 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.391 7.285 4.255 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.529 5.868 3.637 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.153 6.141 4.561 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.335 4.737 3.756 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.645 4.859 4.252 1.00 0.00 C ATOM 1017 OH TYR A 69 6.362 3.727 4.474 1.00 0.00 O ATOM 0 H TYR A 69 3.560 10.383 4.721 1.00 0.00 H new ATOM 0 HA TYR A 69 4.878 9.307 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.607 8.643 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.504 7.993 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.826 8.267 4.368 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.479 5.751 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.121 6.243 5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.954 3.768 3.468 1.00 0.00 H new ATOM 0 HH TYR A 69 7.319 3.940 4.470 1.00 0.00 H new ATOM 1027 N ARG A 70 3.815 10.594 0.602 1.00 0.00 N ATOM 1028 CA ARG A 70 3.192 11.038 -0.660 1.00 0.00 C ATOM 1029 C ARG A 70 2.533 9.847 -1.384 1.00 0.00 C ATOM 1030 O ARG A 70 2.966 9.438 -2.458 1.00 0.00 O ATOM 1031 CB ARG A 70 4.247 11.709 -1.565 1.00 0.00 C ATOM 1032 CG ARG A 70 3.744 12.641 -2.669 1.00 0.00 C ATOM 1033 CD ARG A 70 2.570 12.129 -3.512 1.00 0.00 C ATOM 1034 NE ARG A 70 2.040 13.168 -4.399 1.00 0.00 N ATOM 1035 CZ ARG A 70 0.822 13.168 -4.924 1.00 0.00 C ATOM 1036 NH1 ARG A 70 0.012 12.134 -4.841 1.00 0.00 N ATOM 1037 NH2 ARG A 70 0.390 14.239 -5.551 1.00 0.00 N ATOM 0 H ARG A 70 4.833 10.553 0.545 1.00 0.00 H new ATOM 0 HA ARG A 70 2.416 11.768 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.923 12.278 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.837 10.922 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.449 13.585 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.576 12.858 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.895 11.275 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.777 11.775 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 70 2.653 13.949 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.313 11.288 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.917 12.179 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.990 15.060 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.545 14.249 -5.958 1.00 0.00 H new ATOM 1051 N VAL A 71 1.482 9.288 -0.797 1.00 0.00 N ATOM 1052 CA VAL A 71 0.733 8.147 -1.382 1.00 0.00 C ATOM 1053 C VAL A 71 -0.111 8.579 -2.581 1.00 0.00 C ATOM 1054 O VAL A 71 -0.762 9.623 -2.560 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.164 7.380 -0.381 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.719 6.071 -0.975 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.653 7.031 0.864 1.00 0.00 C ATOM 0 H VAL A 71 1.112 9.603 0.100 1.00 0.00 H new ATOM 0 HA VAL A 71 1.513 7.456 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.005 8.029 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.342 5.570 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.317 6.297 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.108 5.419 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.025 6.490 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.500 6.406 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.018 7.947 1.329 1.00 0.00 H new ATOM 1067 N SER A 72 -0.105 7.760 -3.633 1.00 0.00 N ATOM 1068 CA SER A 72 -0.763 8.047 -4.904 1.00 0.00 C ATOM 1069 C SER A 72 -1.161 6.765 -5.648 1.00 0.00 C ATOM 1070 O SER A 72 -0.339 5.869 -5.803 1.00 0.00 O ATOM 1071 CB SER A 72 0.193 8.840 -5.811 1.00 0.00 C ATOM 1072 OG SER A 72 1.212 9.544 -5.115 1.00 0.00 O ATOM 0 H SER A 72 0.370 6.857 -3.623 1.00 0.00 H new ATOM 0 HA SER A 72 -1.663 8.619 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.660 8.152 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.388 9.552 -6.397 1.00 0.00 H new ATOM 0 HG SER A 72 1.778 10.020 -5.758 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.383 6.677 -6.173 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.766 5.591 -7.096 1.00 0.00 C ATOM 1080 C ILE A 73 -2.109 5.855 -8.450 1.00 0.00 C ATOM 1081 O ILE A 73 -2.292 6.933 -9.017 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.307 5.474 -7.217 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.957 5.221 -5.836 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.691 4.352 -8.204 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.491 5.257 -5.835 1.00 0.00 C ATOM 0 H ILE A 73 -3.131 7.343 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.416 4.635 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.685 6.421 -7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.629 4.249 -5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.589 5.969 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.777 4.286 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.276 4.574 -9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.292 3.402 -7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.859 5.070 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.832 6.237 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.873 4.490 -6.509 1.00 0.00 H new ATOM 1097 N THR A 74 -1.317 4.896 -8.932 1.00 0.00 N ATOM 1098 CA THR A 74 -0.561 5.009 -10.178 1.00 0.00 C ATOM 1099 C THR A 74 -1.379 4.457 -11.344 1.00 0.00 C ATOM 1100 O THR A 74 -1.452 3.246 -11.530 1.00 0.00 O ATOM 1101 CB THR A 74 0.803 4.302 -10.042 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.156 4.124 -8.688 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.889 5.180 -10.646 1.00 0.00 C ATOM 0 H THR A 74 -1.181 4.003 -8.458 1.00 0.00 H new ATOM 0 HA THR A 74 -0.364 6.061 -10.386 1.00 0.00 H new ATOM 0 HB THR A 74 0.719 3.339 -10.545 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.938 3.536 -8.628 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.854 4.682 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.672 5.353 -11.700 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.920 6.134 -10.120 1.00 0.00 H new