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 13 HIS : no HD1:sc= -0.0708 X(o=2,f=1.7) USER MOD Set 1.2: A 17 CYS SG : rot -57:sc= 0.122 USER MOD Set 1.3: A 65 SER OG : rot 114:sc= 0.799 USER MOD Set 1.4: A 69 TYR OH : rot -7:sc= 1.12 USER MOD Set 2.1: A 37 SER OG : rot 157:sc= 1.31 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.301 K(o=1.6,f=-1.7) USER MOD Set 3.1: A 3 SER OG : rot -131:sc= 0.362 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.133 USER MOD Single : A 4 THR OG1 : rot 12:sc= 0.779 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -156:sc= -0.472 (180deg=-0.741) USER MOD Single : A 14 CYS SG : rot 48:sc= 0.496 USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= 0.834 (180deg=-0.0412) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.019) USER MOD Single : A 23 SER OG : rot 75:sc= 1.3 USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.0052 USER MOD Single : A 26 SER OG : rot -46:sc= 0.87 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 160:sc= 1.24 USER MOD Single : A 33 SER OG : rot 28:sc= 1.2 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.756 K(o=0.76,f=-0.33) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0615 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.17) 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 -10.539 -12.162 -5.668 1.00 0.00 N ATOM 16 CA ASP A 2 -9.879 -10.963 -5.172 1.00 0.00 C ATOM 17 C ASP A 2 -9.782 -9.836 -6.212 1.00 0.00 C ATOM 18 O ASP A 2 -9.769 -10.062 -7.423 1.00 0.00 O ATOM 19 CB ASP A 2 -8.492 -11.356 -4.637 1.00 0.00 C ATOM 20 CG ASP A 2 -8.557 -12.663 -3.840 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.808 -12.590 -2.616 1.00 0.00 O ATOM 22 OD2 ASP A 2 -8.463 -13.733 -4.479 1.00 0.00 O ATOM 0 HA ASP A 2 -10.491 -10.549 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.797 -11.468 -5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.104 -10.559 -4.003 1.00 0.00 H new ATOM 27 N SER A 3 -9.697 -8.608 -5.710 1.00 0.00 N ATOM 28 CA SER A 3 -9.368 -7.399 -6.460 1.00 0.00 C ATOM 29 C SER A 3 -7.892 -7.022 -6.237 1.00 0.00 C ATOM 30 O SER A 3 -7.133 -7.733 -5.572 1.00 0.00 O ATOM 31 CB SER A 3 -10.295 -6.262 -6.007 1.00 0.00 C ATOM 32 OG SER A 3 -10.249 -5.153 -6.888 1.00 0.00 O ATOM 0 H SER A 3 -9.864 -8.419 -4.722 1.00 0.00 H new ATOM 0 HA SER A 3 -9.513 -7.575 -7.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.318 -6.632 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.011 -5.940 -5.005 1.00 0.00 H new ATOM 0 HG SER A 3 -10.127 -4.329 -6.371 1.00 0.00 H new ATOM 38 N THR A 4 -7.456 -5.888 -6.790 1.00 0.00 N ATOM 39 CA THR A 4 -6.056 -5.443 -6.810 1.00 0.00 C ATOM 40 C THR A 4 -5.997 -3.957 -7.128 1.00 0.00 C ATOM 41 O THR A 4 -6.875 -3.424 -7.806 1.00 0.00 O ATOM 42 CB THR A 4 -5.236 -6.298 -7.794 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.982 -7.527 -7.178 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.865 -5.744 -8.192 1.00 0.00 C ATOM 0 H THR A 4 -8.086 -5.232 -7.252 1.00 0.00 H new ATOM 0 HA THR A 4 -5.606 -5.583 -5.827 1.00 0.00 H new ATOM 0 HB THR A 4 -5.839 -6.340 -8.701 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.535 -7.610 -6.373 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.383 -6.431 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.990 -4.773 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.245 -5.633 -7.302 1.00 0.00 H new ATOM 52 N ALA A 5 -4.963 -3.296 -6.616 1.00 0.00 N ATOM 53 CA ALA A 5 -4.647 -1.895 -6.857 1.00 0.00 C ATOM 54 C ALA A 5 -3.152 -1.610 -6.623 1.00 0.00 C ATOM 55 O ALA A 5 -2.460 -2.359 -5.915 1.00 0.00 O ATOM 56 CB ALA A 5 -5.537 -1.029 -5.956 1.00 0.00 C ATOM 0 H ALA A 5 -4.292 -3.745 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.847 -1.650 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.311 0.024 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.585 -1.218 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.348 -1.277 -4.912 1.00 0.00 H new ATOM 62 N THR A 6 -2.687 -0.497 -7.206 1.00 0.00 N ATOM 63 CA THR A 6 -1.309 -0.004 -7.117 1.00 0.00 C ATOM 64 C THR A 6 -1.297 1.395 -6.534 1.00 0.00 C ATOM 65 O THR A 6 -2.119 2.248 -6.875 1.00 0.00 O ATOM 66 CB THR A 6 -0.638 0.010 -8.488 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.745 -1.278 -9.047 1.00 0.00 O ATOM 68 CG2 THR A 6 0.848 0.354 -8.397 1.00 0.00 C ATOM 0 H THR A 6 -3.283 0.106 -7.773 1.00 0.00 H new ATOM 0 HA THR A 6 -0.752 -0.679 -6.467 1.00 0.00 H new ATOM 0 HB THR A 6 -1.133 0.767 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.320 -1.288 -9.930 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.284 0.352 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.966 1.342 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.356 -0.386 -7.778 1.00 0.00 H new ATOM 76 N PHE A 7 -0.318 1.616 -5.666 1.00 0.00 N ATOM 77 CA PHE A 7 -0.130 2.849 -4.915 1.00 0.00 C ATOM 78 C PHE A 7 1.357 3.194 -4.831 1.00 0.00 C ATOM 79 O PHE A 7 2.206 2.324 -4.624 1.00 0.00 O ATOM 80 CB PHE A 7 -0.720 2.717 -3.503 1.00 0.00 C ATOM 81 CG PHE A 7 -2.102 2.077 -3.416 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.261 0.672 -3.449 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.248 2.894 -3.352 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.539 0.104 -3.462 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.532 2.312 -3.342 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.672 0.921 -3.409 1.00 0.00 C ATOM 0 H PHE A 7 0.393 0.915 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.652 3.652 -5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.031 2.131 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.772 3.710 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.390 0.034 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.143 3.968 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.651 -0.969 -3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.409 2.940 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.657 0.478 -3.420 1.00 0.00 H new ATOM 96 N ILE A 8 1.694 4.472 -4.972 1.00 0.00 N ATOM 97 CA ILE A 8 3.062 4.978 -5.016 1.00 0.00 C ATOM 98 C ILE A 8 3.268 6.097 -3.997 1.00 0.00 C ATOM 99 O ILE A 8 2.457 7.010 -3.894 1.00 0.00 O ATOM 100 CB ILE A 8 3.396 5.354 -6.475 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.916 5.540 -6.581 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.623 6.567 -7.012 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.452 5.508 -8.012 1.00 0.00 C ATOM 0 H ILE A 8 0.997 5.211 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 8 3.776 4.212 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 8 3.066 4.538 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.187 6.492 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.408 4.758 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.920 6.760 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.553 6.362 -6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.847 7.441 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.533 5.647 -7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.215 4.547 -8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.991 6.308 -8.591 1.00 0.00 H new ATOM 115 N ILE A 9 4.340 5.982 -3.210 1.00 0.00 N ATOM 116 CA ILE A 9 4.619 6.779 -2.018 1.00 0.00 C ATOM 117 C ILE A 9 5.838 7.680 -2.276 1.00 0.00 C ATOM 118 O ILE A 9 6.977 7.218 -2.207 1.00 0.00 O ATOM 119 CB ILE A 9 4.926 5.834 -0.822 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.911 4.732 -0.436 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.154 6.688 0.442 1.00 0.00 C ATOM 122 CD1 ILE A 9 3.558 3.664 -1.469 1.00 0.00 C ATOM 0 H ILE A 9 5.072 5.296 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 9 3.751 7.395 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 9 5.792 5.283 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.297 4.223 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.985 5.225 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.370 6.035 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.995 7.362 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.258 7.271 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.835 2.969 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.127 4.139 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.459 3.121 -1.753 1.00 0.00 H new ATOM 134 N ASP A 10 5.645 8.976 -2.519 1.00 0.00 N ATOM 135 CA ASP A 10 6.740 9.872 -2.960 1.00 0.00 C ATOM 136 C ASP A 10 7.798 10.237 -1.897 1.00 0.00 C ATOM 137 O ASP A 10 8.735 10.978 -2.194 1.00 0.00 O ATOM 138 CB ASP A 10 6.142 11.154 -3.583 1.00 0.00 C ATOM 139 CG ASP A 10 6.724 11.590 -4.926 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.422 10.789 -5.591 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.381 12.719 -5.332 1.00 0.00 O ATOM 0 H ASP A 10 4.742 9.440 -2.421 1.00 0.00 H new ATOM 0 HA ASP A 10 7.295 9.290 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.069 11.005 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.271 11.971 -2.873 1.00 0.00 H new ATOM 146 N GLY A 11 7.650 9.720 -0.675 1.00 0.00 N ATOM 147 CA GLY A 11 8.463 10.057 0.508 1.00 0.00 C ATOM 148 C GLY A 11 9.002 8.845 1.269 1.00 0.00 C ATOM 149 O GLY A 11 9.489 8.973 2.387 1.00 0.00 O ATOM 0 H GLY A 11 6.932 9.026 -0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.303 10.676 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.861 10.660 1.188 1.00 0.00 H new ATOM 153 N MET A 12 8.876 7.650 0.688 1.00 0.00 N ATOM 154 CA MET A 12 9.239 6.381 1.323 1.00 0.00 C ATOM 155 C MET A 12 10.754 6.286 1.549 1.00 0.00 C ATOM 156 O MET A 12 11.522 6.520 0.622 1.00 0.00 O ATOM 157 CB MET A 12 8.714 5.256 0.412 1.00 0.00 C ATOM 158 CG MET A 12 8.378 3.945 1.115 1.00 0.00 C ATOM 159 SD MET A 12 9.557 2.578 0.945 1.00 0.00 S ATOM 160 CE MET A 12 9.256 2.120 -0.775 1.00 0.00 C ATOM 0 H MET A 12 8.511 7.535 -0.257 1.00 0.00 H new ATOM 0 HA MET A 12 8.790 6.298 2.313 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.820 5.613 -0.099 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.461 5.055 -0.356 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.257 4.155 2.178 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.411 3.603 0.745 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.548 1.081 -0.931 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.197 2.238 -1.003 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.842 2.764 -1.431 1.00 0.00 H new ATOM 170 N HIS A 13 11.202 5.825 2.725 1.00 0.00 N ATOM 171 CA HIS A 13 12.629 5.546 2.990 1.00 0.00 C ATOM 172 C HIS A 13 13.243 4.439 2.102 1.00 0.00 C ATOM 173 O HIS A 13 14.399 4.066 2.298 1.00 0.00 O ATOM 174 CB HIS A 13 12.837 5.200 4.469 1.00 0.00 C ATOM 175 CG HIS A 13 12.821 6.392 5.387 1.00 0.00 C ATOM 176 ND1 HIS A 13 13.929 7.053 5.872 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.724 7.017 5.911 1.00 0.00 C ATOM 178 CE1 HIS A 13 13.506 8.045 6.670 1.00 0.00 C ATOM 179 NE2 HIS A 13 12.168 8.055 6.729 1.00 0.00 N ATOM 0 H HIS A 13 10.592 5.634 3.520 1.00 0.00 H new ATOM 0 HA HIS A 13 13.157 6.464 2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.058 4.504 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.790 4.683 4.579 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.694 6.753 5.724 1.00 0.00 H new ATOM 0 HE1 HIS A 13 14.152 8.737 7.190 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.587 8.697 7.268 1.00 0.00 H new ATOM 187 N CYS A 14 12.456 3.852 1.196 1.00 0.00 N ATOM 188 CA CYS A 14 12.854 2.981 0.082 1.00 0.00 C ATOM 189 C CYS A 14 13.222 1.559 0.488 1.00 0.00 C ATOM 190 O CYS A 14 12.894 0.632 -0.238 1.00 0.00 O ATOM 191 CB CYS A 14 13.973 3.636 -0.735 1.00 0.00 C ATOM 192 SG CYS A 14 13.260 4.997 -1.707 1.00 0.00 S ATOM 0 H CYS A 14 11.445 3.982 1.223 1.00 0.00 H new ATOM 0 HA CYS A 14 11.966 2.871 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.754 4.012 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 14 14.439 2.904 -1.394 1.00 0.00 H new ATOM 0 HG CYS A 14 12.514 5.735 -0.939 1.00 0.00 H new ATOM 198 N LYS A 15 13.923 1.365 1.601 1.00 0.00 N ATOM 199 CA LYS A 15 14.318 0.038 2.066 1.00 0.00 C ATOM 200 C LYS A 15 13.553 -0.303 3.355 1.00 0.00 C ATOM 201 O LYS A 15 12.551 -1.001 3.287 1.00 0.00 O ATOM 202 CB LYS A 15 15.860 -0.040 2.108 1.00 0.00 C ATOM 203 CG LYS A 15 16.457 -0.687 0.835 1.00 0.00 C ATOM 204 CD LYS A 15 16.335 0.174 -0.436 1.00 0.00 C ATOM 205 CE LYS A 15 16.671 -0.605 -1.713 1.00 0.00 C ATOM 206 NZ LYS A 15 16.310 0.170 -2.931 1.00 0.00 N ATOM 0 H LYS A 15 14.234 2.124 2.207 1.00 0.00 H new ATOM 0 HA LYS A 15 14.030 -0.759 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.268 0.964 2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.168 -0.614 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.511 -0.903 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.961 -1.642 0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.320 0.564 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.001 1.033 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.736 -0.838 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.137 -1.555 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.964 -0.072 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.337 -0.063 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.376 1.188 -2.727 1.00 0.00 H new ATOM 220 N SER A 16 13.894 0.246 4.521 1.00 0.00 N ATOM 221 CA SER A 16 13.192 -0.076 5.783 1.00 0.00 C ATOM 222 C SER A 16 11.687 0.231 5.758 1.00 0.00 C ATOM 223 O SER A 16 10.918 -0.520 6.352 1.00 0.00 O ATOM 224 CB SER A 16 13.825 0.686 6.956 1.00 0.00 C ATOM 225 OG SER A 16 15.240 0.731 6.847 1.00 0.00 O ATOM 0 H SER A 16 14.653 0.919 4.627 1.00 0.00 H new ATOM 0 HA SER A 16 13.302 -1.153 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.429 1.701 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.547 0.207 7.895 1.00 0.00 H new ATOM 0 HG SER A 16 15.611 1.224 7.608 1.00 0.00 H new ATOM 231 N CYS A 17 11.241 1.267 5.025 1.00 0.00 N ATOM 232 CA CYS A 17 9.813 1.567 4.899 1.00 0.00 C ATOM 233 C CYS A 17 9.029 0.371 4.339 1.00 0.00 C ATOM 234 O CYS A 17 7.987 0.057 4.901 1.00 0.00 O ATOM 235 CB CYS A 17 9.599 2.888 4.132 1.00 0.00 C ATOM 236 SG CYS A 17 9.514 4.282 5.287 1.00 0.00 S ATOM 0 H CYS A 17 11.851 1.906 4.514 1.00 0.00 H new ATOM 0 HA CYS A 17 9.396 1.730 5.893 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.415 3.042 3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.679 2.833 3.550 1.00 0.00 H new ATOM 0 HG CYS A 17 8.562 4.075 6.148 1.00 0.00 H new ATOM 242 N VAL A 18 9.560 -0.330 3.335 1.00 0.00 N ATOM 243 CA VAL A 18 8.984 -1.519 2.686 1.00 0.00 C ATOM 244 C VAL A 18 8.485 -2.544 3.698 1.00 0.00 C ATOM 245 O VAL A 18 7.336 -2.969 3.628 1.00 0.00 O ATOM 246 CB VAL A 18 10.027 -2.179 1.745 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.560 -3.527 1.181 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.424 -1.148 0.677 1.00 0.00 C ATOM 0 H VAL A 18 10.458 -0.071 2.926 1.00 0.00 H new ATOM 0 HA VAL A 18 8.126 -1.181 2.105 1.00 0.00 H new ATOM 0 HB VAL A 18 10.918 -2.449 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.333 -3.937 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.371 -4.219 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.643 -3.384 0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.158 -1.588 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.541 -0.852 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.855 -0.271 1.160 1.00 0.00 H new ATOM 258 N SER A 19 9.326 -2.875 4.679 1.00 0.00 N ATOM 259 CA SER A 19 9.010 -3.865 5.713 1.00 0.00 C ATOM 260 C SER A 19 7.799 -3.457 6.560 1.00 0.00 C ATOM 261 O SER A 19 6.946 -4.296 6.856 1.00 0.00 O ATOM 262 CB SER A 19 10.247 -3.990 6.620 1.00 0.00 C ATOM 263 OG SER A 19 10.162 -5.116 7.476 1.00 0.00 O ATOM 0 H SER A 19 10.253 -2.461 4.780 1.00 0.00 H new ATOM 0 HA SER A 19 8.758 -4.811 5.233 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.143 -4.069 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.351 -3.085 7.219 1.00 0.00 H new ATOM 0 HG SER A 19 10.965 -5.163 8.035 1.00 0.00 H new ATOM 269 N ASN A 20 7.681 -2.170 6.909 1.00 0.00 N ATOM 270 CA ASN A 20 6.478 -1.645 7.559 1.00 0.00 C ATOM 271 C ASN A 20 5.255 -1.749 6.653 1.00 0.00 C ATOM 272 O ASN A 20 4.195 -2.158 7.107 1.00 0.00 O ATOM 273 CB ASN A 20 6.635 -0.164 7.881 1.00 0.00 C ATOM 274 CG ASN A 20 7.791 0.149 8.806 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.055 -0.524 9.785 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.525 1.194 8.487 1.00 0.00 N ATOM 0 H ASN A 20 8.408 -1.472 6.751 1.00 0.00 H new ATOM 0 HA ASN A 20 6.344 -2.241 8.462 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.769 0.387 6.950 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.712 0.198 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.327 1.449 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.292 1.749 7.663 1.00 0.00 H new ATOM 283 N ILE A 21 5.387 -1.338 5.385 1.00 0.00 N ATOM 284 CA ILE A 21 4.238 -1.211 4.477 1.00 0.00 C ATOM 285 C ILE A 21 3.609 -2.581 4.258 1.00 0.00 C ATOM 286 O ILE A 21 2.414 -2.735 4.480 1.00 0.00 O ATOM 287 CB ILE A 21 4.619 -0.580 3.119 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.600 0.615 3.242 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.311 -0.294 2.353 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.412 1.746 2.224 1.00 0.00 C ATOM 0 H ILE A 21 6.281 -1.087 4.963 1.00 0.00 H new ATOM 0 HA ILE A 21 3.521 -0.539 4.949 1.00 0.00 H new ATOM 0 HB ILE A 21 5.210 -1.280 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.506 1.035 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.618 0.235 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.545 0.153 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.768 -1.227 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.694 0.394 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.152 2.526 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.539 1.353 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.411 2.165 2.326 1.00 0.00 H new ATOM 302 N GLU A 22 4.448 -3.547 3.902 1.00 0.00 N ATOM 303 CA GLU A 22 4.117 -4.954 3.720 1.00 0.00 C ATOM 304 C GLU A 22 3.412 -5.493 4.977 1.00 0.00 C ATOM 305 O GLU A 22 2.353 -6.104 4.890 1.00 0.00 O ATOM 306 CB GLU A 22 5.449 -5.661 3.375 1.00 0.00 C ATOM 307 CG GLU A 22 5.897 -5.305 1.939 1.00 0.00 C ATOM 308 CD GLU A 22 5.321 -6.201 0.851 1.00 0.00 C ATOM 309 OE1 GLU A 22 4.084 -6.229 0.759 1.00 0.00 O ATOM 310 OE2 GLU A 22 6.103 -6.702 0.012 1.00 0.00 O ATOM 0 H GLU A 22 5.434 -3.357 3.723 1.00 0.00 H new ATOM 0 HA GLU A 22 3.408 -5.132 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.220 -5.364 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.329 -6.740 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.612 -4.274 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.985 -5.352 1.891 1.00 0.00 H new ATOM 317 N SER A 23 3.915 -5.172 6.169 1.00 0.00 N ATOM 318 CA SER A 23 3.310 -5.598 7.441 1.00 0.00 C ATOM 319 C SER A 23 1.974 -4.934 7.808 1.00 0.00 C ATOM 320 O SER A 23 1.062 -5.613 8.278 1.00 0.00 O ATOM 321 CB SER A 23 4.306 -5.345 8.583 1.00 0.00 C ATOM 322 OG SER A 23 5.536 -6.012 8.369 1.00 0.00 O ATOM 0 H SER A 23 4.756 -4.607 6.285 1.00 0.00 H new ATOM 0 HA SER A 23 3.084 -6.655 7.300 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.486 -4.274 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.871 -5.679 9.525 1.00 0.00 H new ATOM 0 HG SER A 23 6.049 -5.539 7.681 1.00 0.00 H new ATOM 328 N THR A 24 1.859 -3.611 7.645 1.00 0.00 N ATOM 329 CA THR A 24 0.667 -2.822 7.983 1.00 0.00 C ATOM 330 C THR A 24 -0.462 -3.113 7.020 1.00 0.00 C ATOM 331 O THR A 24 -1.612 -3.216 7.442 1.00 0.00 O ATOM 332 CB THR A 24 1.020 -1.325 8.008 1.00 0.00 C ATOM 333 OG1 THR A 24 1.882 -1.128 9.100 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.181 -0.403 8.223 1.00 0.00 C ATOM 0 H THR A 24 2.615 -3.042 7.263 1.00 0.00 H new ATOM 0 HA THR A 24 0.323 -3.107 8.977 1.00 0.00 H new ATOM 0 HB THR A 24 1.452 -1.077 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.796 -1.369 8.843 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.153 0.635 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.901 -0.549 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.653 -0.637 9.177 1.00 0.00 H new ATOM 342 N LEU A 25 -0.134 -3.249 5.739 1.00 0.00 N ATOM 343 CA LEU A 25 -1.096 -3.618 4.718 1.00 0.00 C ATOM 344 C LEU A 25 -1.467 -5.090 4.818 1.00 0.00 C ATOM 345 O LEU A 25 -2.659 -5.357 4.863 1.00 0.00 O ATOM 346 CB LEU A 25 -0.551 -3.277 3.333 1.00 0.00 C ATOM 347 CG LEU A 25 -0.555 -1.789 2.906 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.823 -1.497 2.091 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.436 -0.764 4.049 1.00 0.00 C ATOM 0 H LEU A 25 0.811 -3.105 5.383 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.008 -3.043 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.476 -3.639 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.127 -3.839 2.598 1.00 0.00 H new ATOM 0 HG LEU A 25 0.351 -1.661 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.828 -0.450 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.839 -2.130 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.703 -1.703 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.449 0.245 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.274 -0.886 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.499 -0.924 4.585 1.00 0.00 H new ATOM 361 N SER A 26 -0.530 -6.043 4.902 1.00 0.00 N ATOM 362 CA SER A 26 -0.868 -7.483 4.870 1.00 0.00 C ATOM 363 C SER A 26 -1.557 -7.985 6.162 1.00 0.00 C ATOM 364 O SER A 26 -1.634 -9.190 6.411 1.00 0.00 O ATOM 365 CB SER A 26 0.372 -8.330 4.539 1.00 0.00 C ATOM 366 OG SER A 26 0.013 -9.689 4.352 1.00 0.00 O ATOM 0 H SER A 26 0.467 -5.850 4.993 1.00 0.00 H new ATOM 0 HA SER A 26 -1.601 -7.605 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.850 -7.947 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.101 -8.248 5.346 1.00 0.00 H new ATOM 0 HG SER A 26 -0.584 -9.972 5.075 1.00 0.00 H new ATOM 372 N ALA A 27 -2.072 -7.063 6.979 1.00 0.00 N ATOM 373 CA ALA A 27 -2.863 -7.319 8.180 1.00 0.00 C ATOM 374 C ALA A 27 -4.331 -6.875 8.023 1.00 0.00 C ATOM 375 O ALA A 27 -5.127 -7.049 8.946 1.00 0.00 O ATOM 376 CB ALA A 27 -2.174 -6.581 9.337 1.00 0.00 C ATOM 0 H ALA A 27 -1.940 -6.066 6.809 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.906 -8.391 8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.733 -6.745 10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.159 -6.959 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.140 -5.514 9.119 1.00 0.00 H new ATOM 382 N LEU A 28 -4.712 -6.262 6.892 1.00 0.00 N ATOM 383 CA LEU A 28 -6.032 -5.651 6.743 1.00 0.00 C ATOM 384 C LEU A 28 -7.135 -6.712 6.604 1.00 0.00 C ATOM 385 O LEU A 28 -6.995 -7.689 5.871 1.00 0.00 O ATOM 386 CB LEU A 28 -6.029 -4.664 5.562 1.00 0.00 C ATOM 387 CG LEU A 28 -5.092 -3.454 5.754 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.783 -2.786 4.409 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.741 -2.418 6.673 1.00 0.00 C ATOM 0 H LEU A 28 -4.118 -6.179 6.067 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.256 -5.090 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.735 -5.197 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.045 -4.302 5.403 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.167 -3.820 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.121 -1.935 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.298 -3.505 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.711 -2.442 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.067 -1.570 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.677 -2.075 6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.942 -2.869 7.645 1.00 0.00 H new ATOM 401 N GLN A 29 -8.277 -6.464 7.250 1.00 0.00 N ATOM 402 CA GLN A 29 -9.388 -7.415 7.434 1.00 0.00 C ATOM 403 C GLN A 29 -9.988 -7.974 6.132 1.00 0.00 C ATOM 404 O GLN A 29 -10.717 -8.957 6.178 1.00 0.00 O ATOM 405 CB GLN A 29 -10.497 -6.712 8.237 1.00 0.00 C ATOM 406 CG GLN A 29 -10.075 -6.308 9.659 1.00 0.00 C ATOM 407 CD GLN A 29 -11.121 -5.398 10.296 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.153 -4.204 10.058 1.00 0.00 O ATOM 409 NE2 GLN A 29 -12.023 -5.911 11.104 1.00 0.00 N ATOM 0 H GLN A 29 -8.466 -5.558 7.679 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.972 -8.276 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.815 -5.821 7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.362 -7.373 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.941 -7.200 10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.113 -5.797 9.626 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.011 -6.909 11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.735 -5.311 11.521 1.00 0.00 H new ATOM 418 N TYR A 30 -9.690 -7.345 4.993 1.00 0.00 N ATOM 419 CA TYR A 30 -10.119 -7.733 3.651 1.00 0.00 C ATOM 420 C TYR A 30 -8.979 -8.119 2.691 1.00 0.00 C ATOM 421 O TYR A 30 -9.276 -8.497 1.562 1.00 0.00 O ATOM 422 CB TYR A 30 -10.917 -6.554 3.053 1.00 0.00 C ATOM 423 CG TYR A 30 -10.413 -5.139 3.336 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.049 -4.781 3.234 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.347 -4.156 3.722 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.638 -3.465 3.498 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.937 -2.836 3.998 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.577 -2.485 3.886 1.00 0.00 C ATOM 429 OH TYR A 30 -9.175 -1.216 4.171 1.00 0.00 O ATOM 0 H TYR A 30 -9.111 -6.505 4.984 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.719 -8.636 3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.953 -6.687 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.942 -6.624 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.319 -5.525 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.391 -4.418 3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.595 -3.200 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.664 -2.095 4.295 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.953 -0.674 4.419 1.00 0.00 H new ATOM 439 N VAL A 31 -7.695 -7.967 3.049 1.00 0.00 N ATOM 440 CA VAL A 31 -6.616 -8.105 2.050 1.00 0.00 C ATOM 441 C VAL A 31 -6.146 -9.553 1.939 1.00 0.00 C ATOM 442 O VAL A 31 -6.006 -10.253 2.936 1.00 0.00 O ATOM 443 CB VAL A 31 -5.467 -7.089 2.193 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.563 -7.344 3.358 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.553 -7.016 0.958 1.00 0.00 C ATOM 0 H VAL A 31 -7.380 -7.754 3.996 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.061 -7.836 1.092 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.008 -6.153 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.782 -6.584 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.140 -7.305 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.107 -8.329 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.767 -6.281 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.103 -7.993 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.140 -6.723 0.088 1.00 0.00 H new ATOM 455 N SER A 32 -5.937 -9.998 0.704 1.00 0.00 N ATOM 456 CA SER A 32 -5.609 -11.387 0.372 1.00 0.00 C ATOM 457 C SER A 32 -4.096 -11.572 0.148 1.00 0.00 C ATOM 458 O SER A 32 -3.555 -12.655 0.356 1.00 0.00 O ATOM 459 CB SER A 32 -6.422 -11.750 -0.883 1.00 0.00 C ATOM 460 OG SER A 32 -6.992 -13.039 -0.801 1.00 0.00 O ATOM 0 H SER A 32 -5.991 -9.392 -0.115 1.00 0.00 H new ATOM 0 HA SER A 32 -5.867 -12.052 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.213 -11.014 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.776 -11.697 -1.759 1.00 0.00 H new ATOM 0 HG SER A 32 -7.740 -13.107 -1.431 1.00 0.00 H new ATOM 466 N SER A 33 -3.387 -10.512 -0.252 1.00 0.00 N ATOM 467 CA SER A 33 -1.987 -10.499 -0.690 1.00 0.00 C ATOM 468 C SER A 33 -1.510 -9.076 -1.021 1.00 0.00 C ATOM 469 O SER A 33 -2.283 -8.118 -1.066 1.00 0.00 O ATOM 470 CB SER A 33 -1.803 -11.426 -1.904 1.00 0.00 C ATOM 471 OG SER A 33 -1.657 -12.767 -1.488 1.00 0.00 O ATOM 0 H SER A 33 -3.802 -9.581 -0.280 1.00 0.00 H new ATOM 0 HA SER A 33 -1.375 -10.866 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.662 -11.338 -2.569 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.926 -11.119 -2.473 1.00 0.00 H new ATOM 0 HG SER A 33 -2.124 -12.898 -0.636 1.00 0.00 H new ATOM 477 N ILE A 34 -0.220 -8.942 -1.299 1.00 0.00 N ATOM 478 CA ILE A 34 0.531 -7.694 -1.492 1.00 0.00 C ATOM 479 C ILE A 34 1.978 -8.045 -1.860 1.00 0.00 C ATOM 480 O ILE A 34 2.421 -9.155 -1.570 1.00 0.00 O ATOM 481 CB ILE A 34 0.455 -6.776 -0.234 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.147 -5.414 -0.485 1.00 0.00 C ATOM 483 CG2 ILE A 34 0.995 -7.473 1.030 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.962 -4.385 0.625 1.00 0.00 C ATOM 0 H ILE A 34 0.380 -9.760 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 34 0.084 -7.123 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.600 -6.575 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.214 -5.586 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.765 -4.995 -1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.921 -6.794 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.408 -8.370 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.038 -7.749 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.482 -3.465 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.100 -4.177 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.371 -4.777 1.556 1.00 0.00 H new ATOM 496 N VAL A 35 2.645 -7.119 -2.547 1.00 0.00 N ATOM 497 CA VAL A 35 4.089 -7.059 -2.794 1.00 0.00 C ATOM 498 C VAL A 35 4.501 -5.603 -2.912 1.00 0.00 C ATOM 499 O VAL A 35 3.887 -4.823 -3.643 1.00 0.00 O ATOM 500 CB VAL A 35 4.515 -7.769 -4.103 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.950 -7.436 -4.576 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.459 -9.288 -3.929 1.00 0.00 C ATOM 0 H VAL A 35 2.157 -6.333 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 35 4.573 -7.567 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 35 3.810 -7.404 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.164 -7.976 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.034 -6.364 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.664 -7.733 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.761 -9.772 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.134 -9.588 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.442 -9.588 -3.678 1.00 0.00 H new ATOM 512 N VAL A 36 5.601 -5.271 -2.258 1.00 0.00 N ATOM 513 CA VAL A 36 6.300 -3.990 -2.421 1.00 0.00 C ATOM 514 C VAL A 36 7.583 -4.174 -3.213 1.00 0.00 C ATOM 515 O VAL A 36 8.332 -5.132 -3.011 1.00 0.00 O ATOM 516 CB VAL A 36 6.628 -3.360 -1.060 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.624 -2.196 -1.123 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.370 -2.751 -0.462 1.00 0.00 C ATOM 0 H VAL A 36 6.049 -5.891 -1.583 1.00 0.00 H new ATOM 0 HA VAL A 36 5.633 -3.322 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 36 7.055 -4.177 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.798 -1.811 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.566 -2.546 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.217 -1.403 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.606 -2.305 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.984 -1.983 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.617 -3.528 -0.329 1.00 0.00 H new ATOM 528 N SER A 37 7.876 -3.201 -4.078 1.00 0.00 N ATOM 529 CA SER A 37 9.197 -3.173 -4.681 1.00 0.00 C ATOM 530 C SER A 37 10.216 -2.581 -3.700 1.00 0.00 C ATOM 531 O SER A 37 10.229 -1.399 -3.380 1.00 0.00 O ATOM 532 CB SER A 37 9.247 -2.388 -5.981 1.00 0.00 C ATOM 533 OG SER A 37 10.289 -2.893 -6.801 1.00 0.00 O ATOM 0 H SER A 37 7.243 -2.454 -4.364 1.00 0.00 H new ATOM 0 HA SER A 37 9.446 -4.208 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.292 -2.464 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.413 -1.331 -5.773 1.00 0.00 H new ATOM 0 HG SER A 37 10.108 -2.667 -7.737 1.00 0.00 H new ATOM 539 N LEU A 38 11.136 -3.413 -3.245 1.00 0.00 N ATOM 540 CA LEU A 38 12.334 -3.009 -2.513 1.00 0.00 C ATOM 541 C LEU A 38 13.194 -2.001 -3.294 1.00 0.00 C ATOM 542 O LEU A 38 14.013 -1.298 -2.709 1.00 0.00 O ATOM 543 CB LEU A 38 13.111 -4.297 -2.197 1.00 0.00 C ATOM 544 CG LEU A 38 13.887 -4.376 -0.862 1.00 0.00 C ATOM 545 CD1 LEU A 38 15.372 -4.188 -1.127 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.442 -3.402 0.234 1.00 0.00 C ATOM 0 H LEU A 38 11.072 -4.422 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 38 12.055 -2.486 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.404 -5.126 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.823 -4.463 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 38 13.661 -5.367 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.919 -4.244 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.724 -4.971 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.539 -3.214 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.056 -3.549 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.556 -2.378 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.396 -3.586 0.481 1.00 0.00 H new ATOM 558 N GLU A 39 13.053 -1.954 -4.617 1.00 0.00 N ATOM 559 CA GLU A 39 13.612 -0.939 -5.488 1.00 0.00 C ATOM 560 C GLU A 39 12.648 0.254 -5.638 1.00 0.00 C ATOM 561 O GLU A 39 12.899 1.338 -5.110 1.00 0.00 O ATOM 562 CB GLU A 39 13.937 -1.650 -6.810 1.00 0.00 C ATOM 563 CG GLU A 39 14.918 -0.902 -7.698 1.00 0.00 C ATOM 564 CD GLU A 39 14.205 -0.049 -8.741 1.00 0.00 C ATOM 565 OE1 GLU A 39 13.807 1.085 -8.396 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.980 -0.578 -9.851 1.00 0.00 O ATOM 0 H GLU A 39 12.520 -2.658 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 39 14.521 -0.496 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.345 -2.636 -6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.010 -1.806 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.553 -0.266 -7.082 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.572 -1.616 -8.199 1.00 0.00 H new ATOM 573 N ASN A 40 11.524 0.021 -6.318 1.00 0.00 N ATOM 574 CA ASN A 40 10.561 1.053 -6.728 1.00 0.00 C ATOM 575 C ASN A 40 9.747 1.564 -5.529 1.00 0.00 C ATOM 576 O ASN A 40 9.183 0.788 -4.768 1.00 0.00 O ATOM 577 CB ASN A 40 9.590 0.492 -7.787 1.00 0.00 C ATOM 578 CG ASN A 40 10.279 -0.332 -8.860 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.930 -1.487 -9.071 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.304 0.209 -9.477 1.00 0.00 N ATOM 0 H ASN A 40 11.248 -0.917 -6.609 1.00 0.00 H new ATOM 0 HA ASN A 40 11.131 1.882 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.840 -0.125 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.061 1.320 -8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.836 -0.336 -10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.568 1.174 -9.278 1.00 0.00 H new ATOM 587 N ARG A 41 9.529 2.875 -5.419 1.00 0.00 N ATOM 588 CA ARG A 41 8.736 3.513 -4.341 1.00 0.00 C ATOM 589 C ARG A 41 7.207 3.245 -4.357 1.00 0.00 C ATOM 590 O ARG A 41 6.403 4.086 -3.948 1.00 0.00 O ATOM 591 CB ARG A 41 9.119 5.000 -4.245 1.00 0.00 C ATOM 592 CG ARG A 41 9.042 5.748 -5.585 1.00 0.00 C ATOM 593 CD ARG A 41 10.406 6.360 -5.938 1.00 0.00 C ATOM 594 NE ARG A 41 10.598 7.692 -5.319 1.00 0.00 N ATOM 595 CZ ARG A 41 9.887 8.788 -5.566 1.00 0.00 C ATOM 596 NH1 ARG A 41 9.061 8.878 -6.585 1.00 0.00 N ATOM 597 NH2 ARG A 41 9.941 9.825 -4.764 1.00 0.00 N ATOM 0 H ARG A 41 9.903 3.548 -6.088 1.00 0.00 H new ATOM 0 HA ARG A 41 9.013 3.013 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.460 5.490 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.133 5.080 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.729 5.063 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.288 6.533 -5.527 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.200 5.690 -5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.494 6.448 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 41 11.350 7.777 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.948 8.089 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.534 9.737 -6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.535 9.799 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.389 10.658 -4.969 1.00 0.00 H new ATOM 611 N SER A 42 6.774 2.080 -4.831 1.00 0.00 N ATOM 612 CA SER A 42 5.382 1.638 -4.964 1.00 0.00 C ATOM 613 C SER A 42 5.122 0.241 -4.390 1.00 0.00 C ATOM 614 O SER A 42 5.990 -0.632 -4.398 1.00 0.00 O ATOM 615 CB SER A 42 4.956 1.586 -6.435 1.00 0.00 C ATOM 616 OG SER A 42 5.949 1.011 -7.263 1.00 0.00 O ATOM 0 H SER A 42 7.429 1.368 -5.156 1.00 0.00 H new ATOM 0 HA SER A 42 4.809 2.374 -4.399 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.035 1.010 -6.524 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.736 2.595 -6.783 1.00 0.00 H new ATOM 0 HG SER A 42 5.633 0.997 -8.191 1.00 0.00 H new ATOM 622 N ALA A 43 3.862 0.026 -4.012 1.00 0.00 N ATOM 623 CA ALA A 43 3.276 -1.234 -3.567 1.00 0.00 C ATOM 624 C ALA A 43 2.189 -1.665 -4.558 1.00 0.00 C ATOM 625 O ALA A 43 1.449 -0.824 -5.075 1.00 0.00 O ATOM 626 CB ALA A 43 2.650 -0.988 -2.184 1.00 0.00 C ATOM 0 H ALA A 43 3.178 0.782 -4.009 1.00 0.00 H new ATOM 0 HA ALA A 43 4.031 -2.018 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.201 -1.911 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.422 -0.660 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.883 -0.218 -2.264 1.00 0.00 H new ATOM 632 N ILE A 44 2.065 -2.968 -4.792 1.00 0.00 N ATOM 633 CA ILE A 44 0.962 -3.602 -5.517 1.00 0.00 C ATOM 634 C ILE A 44 0.247 -4.471 -4.482 1.00 0.00 C ATOM 635 O ILE A 44 0.867 -5.354 -3.887 1.00 0.00 O ATOM 636 CB ILE A 44 1.501 -4.405 -6.722 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.205 -3.450 -7.719 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.340 -5.152 -7.403 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.909 -4.157 -8.883 1.00 0.00 C ATOM 0 H ILE A 44 2.759 -3.642 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 44 0.265 -2.883 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 44 2.231 -5.137 -6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.466 -2.758 -8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.938 -2.853 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.721 -5.718 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.122 -5.835 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.402 -4.433 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.375 -3.415 -9.531 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.674 -4.828 -8.492 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.180 -4.731 -9.454 1.00 0.00 H new ATOM 651 N VAL A 45 -1.027 -4.180 -4.233 1.00 0.00 N ATOM 652 CA VAL A 45 -1.820 -4.718 -3.117 1.00 0.00 C ATOM 653 C VAL A 45 -3.020 -5.479 -3.684 1.00 0.00 C ATOM 654 O VAL A 45 -3.678 -4.971 -4.591 1.00 0.00 O ATOM 655 CB VAL A 45 -2.309 -3.577 -2.204 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.900 -4.162 -0.910 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.225 -2.543 -1.839 1.00 0.00 C ATOM 0 H VAL A 45 -1.561 -3.540 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.199 -5.390 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.064 -3.043 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.244 -3.351 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.740 -4.812 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.135 -4.738 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.656 -1.776 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.409 -3.041 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.843 -2.080 -2.749 1.00 0.00 H new ATOM 667 N VAL A 46 -3.317 -6.667 -3.151 1.00 0.00 N ATOM 668 CA VAL A 46 -4.274 -7.634 -3.713 1.00 0.00 C ATOM 669 C VAL A 46 -5.334 -7.950 -2.644 1.00 0.00 C ATOM 670 O VAL A 46 -5.105 -8.742 -1.736 1.00 0.00 O ATOM 671 CB VAL A 46 -3.500 -8.903 -4.157 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.394 -9.991 -4.761 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.343 -8.591 -5.129 1.00 0.00 C ATOM 0 H VAL A 46 -2.886 -6.997 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.783 -7.229 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.082 -9.293 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.783 -10.847 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.134 -10.304 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.902 -9.597 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.839 -9.518 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.739 -8.114 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.632 -7.921 -4.645 1.00 0.00 H new ATOM 683 N TYR A 47 -6.485 -7.278 -2.701 1.00 0.00 N ATOM 684 CA TYR A 47 -7.502 -7.265 -1.637 1.00 0.00 C ATOM 685 C TYR A 47 -8.858 -7.832 -2.078 1.00 0.00 C ATOM 686 O TYR A 47 -9.335 -7.559 -3.176 1.00 0.00 O ATOM 687 CB TYR A 47 -7.679 -5.830 -1.113 1.00 0.00 C ATOM 688 CG TYR A 47 -8.305 -4.885 -2.121 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.530 -4.386 -3.184 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.675 -4.562 -2.043 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.114 -3.576 -4.169 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.268 -3.760 -3.037 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.490 -3.273 -4.109 1.00 0.00 C ATOM 694 OH TYR A 47 -10.061 -2.547 -5.105 1.00 0.00 O ATOM 0 H TYR A 47 -6.747 -6.711 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.138 -7.921 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.299 -5.854 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.706 -5.438 -0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.479 -4.628 -3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.270 -4.930 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.510 -3.184 -4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.319 -3.517 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.015 -2.425 -4.916 1.00 0.00 H new ATOM 704 N ASN A 48 -9.519 -8.597 -1.213 1.00 0.00 N ATOM 705 CA ASN A 48 -10.798 -9.224 -1.519 1.00 0.00 C ATOM 706 C ASN A 48 -11.976 -8.271 -1.249 1.00 0.00 C ATOM 707 O ASN A 48 -12.204 -7.850 -0.115 1.00 0.00 O ATOM 708 CB ASN A 48 -10.922 -10.537 -0.742 1.00 0.00 C ATOM 709 CG ASN A 48 -12.031 -11.373 -1.359 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.208 -11.074 -1.207 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.679 -12.381 -2.134 1.00 0.00 N ATOM 0 H ASN A 48 -9.178 -8.800 -0.273 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.836 -9.453 -2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.979 -11.082 -0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.141 -10.335 0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.393 -12.925 -2.618 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.693 -12.616 -2.249 1.00 0.00 H new ATOM 780 N PRO A 54 -10.200 1.780 -4.158 1.00 0.00 N ATOM 781 CA PRO A 54 -8.832 1.368 -3.807 1.00 0.00 C ATOM 782 C PRO A 54 -8.271 2.161 -2.619 1.00 0.00 C ATOM 783 O PRO A 54 -7.333 1.711 -1.965 1.00 0.00 O ATOM 784 CB PRO A 54 -8.015 1.584 -5.089 1.00 0.00 C ATOM 785 CG PRO A 54 -8.824 2.599 -5.890 1.00 0.00 C ATOM 786 CD PRO A 54 -10.254 2.223 -5.545 1.00 0.00 C ATOM 0 HA PRO A 54 -8.796 0.330 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.017 1.960 -4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.889 0.653 -5.641 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.592 3.624 -5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.630 2.520 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.926 3.073 -5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.623 1.433 -6.198 1.00 0.00 H new ATOM 794 N GLU A 55 -8.842 3.327 -2.312 1.00 0.00 N ATOM 795 CA GLU A 55 -8.254 4.261 -1.363 1.00 0.00 C ATOM 796 C GLU A 55 -8.291 3.829 0.105 1.00 0.00 C ATOM 797 O GLU A 55 -7.549 4.386 0.901 1.00 0.00 O ATOM 798 CB GLU A 55 -8.890 5.635 -1.532 1.00 0.00 C ATOM 799 CG GLU A 55 -8.528 6.202 -2.903 1.00 0.00 C ATOM 800 CD GLU A 55 -9.338 7.449 -3.135 1.00 0.00 C ATOM 801 OE1 GLU A 55 -10.514 7.287 -3.536 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.778 8.543 -2.892 1.00 0.00 O ATOM 0 H GLU A 55 -9.723 3.646 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.193 4.289 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.973 5.560 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.543 6.306 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.463 6.428 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.732 5.468 -3.682 1.00 0.00 H new ATOM 809 N SER A 56 -9.053 2.818 0.508 1.00 0.00 N ATOM 810 CA SER A 56 -8.936 2.267 1.861 1.00 0.00 C ATOM 811 C SER A 56 -7.528 1.704 2.119 1.00 0.00 C ATOM 812 O SER A 56 -6.977 1.847 3.213 1.00 0.00 O ATOM 813 CB SER A 56 -9.962 1.144 2.058 1.00 0.00 C ATOM 814 OG SER A 56 -11.076 1.227 1.176 1.00 0.00 O ATOM 0 H SER A 56 -9.755 2.363 -0.076 1.00 0.00 H new ATOM 0 HA SER A 56 -9.123 3.078 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.468 0.183 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.321 1.168 3.087 1.00 0.00 H new ATOM 0 HG SER A 56 -11.689 0.483 1.352 1.00 0.00 H new ATOM 820 N LEU A 57 -6.925 1.081 1.095 1.00 0.00 N ATOM 821 CA LEU A 57 -5.542 0.617 1.155 1.00 0.00 C ATOM 822 C LEU A 57 -4.584 1.811 1.158 1.00 0.00 C ATOM 823 O LEU A 57 -3.698 1.852 2.004 1.00 0.00 O ATOM 824 CB LEU A 57 -5.233 -0.310 -0.028 1.00 0.00 C ATOM 825 CG LEU A 57 -6.133 -1.545 -0.239 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.617 -2.285 -1.478 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.179 -2.504 0.958 1.00 0.00 C ATOM 0 H LEU A 57 -7.387 0.888 0.206 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.405 0.054 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.269 0.288 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.207 -0.660 0.082 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.157 -1.192 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.232 -3.167 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.668 -1.625 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.583 -2.591 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.834 -3.344 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.175 -2.873 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.561 -1.977 1.832 1.00 0.00 H new ATOM 839 N ARG A 58 -4.784 2.803 0.278 1.00 0.00 N ATOM 840 CA ARG A 58 -4.030 4.061 0.241 1.00 0.00 C ATOM 841 C ARG A 58 -3.955 4.701 1.635 1.00 0.00 C ATOM 842 O ARG A 58 -2.868 4.978 2.137 1.00 0.00 O ATOM 843 CB ARG A 58 -4.744 4.988 -0.749 1.00 0.00 C ATOM 844 CG ARG A 58 -4.083 6.341 -0.934 1.00 0.00 C ATOM 845 CD ARG A 58 -5.061 7.336 -1.571 1.00 0.00 C ATOM 846 NE ARG A 58 -4.707 8.673 -1.125 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.351 9.809 -1.285 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.456 9.953 -2.002 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.838 10.833 -0.646 1.00 0.00 N ATOM 0 H ARG A 58 -5.497 2.749 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.003 3.880 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.801 4.490 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.768 5.142 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.745 6.721 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.199 6.237 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.012 7.273 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.085 7.099 -1.283 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.828 8.741 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.864 9.148 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.898 10.869 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.000 10.712 -0.078 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.277 11.751 -0.717 1.00 0.00 H new ATOM 863 N LYS A 59 -5.101 4.882 2.296 1.00 0.00 N ATOM 864 CA LYS A 59 -5.213 5.301 3.684 1.00 0.00 C ATOM 865 C LYS A 59 -4.475 4.401 4.690 1.00 0.00 C ATOM 866 O LYS A 59 -3.879 4.958 5.607 1.00 0.00 O ATOM 867 CB LYS A 59 -6.706 5.417 4.016 1.00 0.00 C ATOM 868 CG LYS A 59 -7.427 6.565 3.288 1.00 0.00 C ATOM 869 CD LYS A 59 -6.658 7.885 3.258 1.00 0.00 C ATOM 870 CE LYS A 59 -6.491 8.450 4.680 1.00 0.00 C ATOM 871 NZ LYS A 59 -5.972 9.836 4.665 1.00 0.00 N ATOM 0 H LYS A 59 -6.009 4.733 1.856 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.710 6.263 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.197 4.477 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.818 5.557 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.631 6.256 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.391 6.733 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.679 7.731 2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.187 8.606 2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.451 8.427 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.811 7.814 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.033 10.240 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.980 9.832 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.538 10.412 4.010 1.00 0.00 H new ATOM 885 N ALA A 60 -4.447 3.071 4.527 1.00 0.00 N ATOM 886 CA ALA A 60 -3.600 2.219 5.368 1.00 0.00 C ATOM 887 C ALA A 60 -2.104 2.535 5.166 1.00 0.00 C ATOM 888 O ALA A 60 -1.366 2.657 6.140 1.00 0.00 O ATOM 889 CB ALA A 60 -3.943 0.749 5.101 1.00 0.00 C ATOM 0 H ALA A 60 -4.995 2.568 3.829 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.802 2.426 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.316 0.110 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.992 0.571 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.765 0.519 4.051 1.00 0.00 H new ATOM 895 N ILE A 61 -1.670 2.792 3.925 1.00 0.00 N ATOM 896 CA ILE A 61 -0.291 3.221 3.628 1.00 0.00 C ATOM 897 C ILE A 61 0.008 4.579 4.284 1.00 0.00 C ATOM 898 O ILE A 61 0.915 4.677 5.113 1.00 0.00 O ATOM 899 CB ILE A 61 0.009 3.233 2.102 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.364 1.930 1.369 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.502 3.516 1.890 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.238 1.987 -0.160 1.00 0.00 C ATOM 0 H ILE A 61 -2.261 2.709 3.098 1.00 0.00 H new ATOM 0 HA ILE A 61 0.383 2.483 4.062 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.619 4.014 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.272 1.127 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.391 1.668 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.722 3.526 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.754 4.485 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.092 2.738 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.522 1.024 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.895 2.764 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.793 2.214 -0.432 1.00 0.00 H new ATOM 914 N GLU A 62 -0.789 5.613 3.999 1.00 0.00 N ATOM 915 CA GLU A 62 -0.670 6.933 4.622 1.00 0.00 C ATOM 916 C GLU A 62 -0.677 6.875 6.160 1.00 0.00 C ATOM 917 O GLU A 62 -0.118 7.765 6.786 1.00 0.00 O ATOM 918 CB GLU A 62 -1.817 7.856 4.179 1.00 0.00 C ATOM 919 CG GLU A 62 -1.827 8.256 2.696 1.00 0.00 C ATOM 920 CD GLU A 62 -3.036 9.105 2.294 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.792 9.560 3.180 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.247 9.302 1.079 1.00 0.00 O ATOM 0 H GLU A 62 -1.546 5.555 3.318 1.00 0.00 H new ATOM 0 HA GLU A 62 0.292 7.325 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.762 7.363 4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.778 8.765 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.915 8.810 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.809 7.353 2.085 1.00 0.00 H new ATOM 929 N ALA A 63 -1.259 5.842 6.786 1.00 0.00 N ATOM 930 CA ALA A 63 -1.319 5.682 8.243 1.00 0.00 C ATOM 931 C ALA A 63 -0.103 4.976 8.868 1.00 0.00 C ATOM 932 O ALA A 63 -0.049 4.844 10.089 1.00 0.00 O ATOM 933 CB ALA A 63 -2.633 4.975 8.598 1.00 0.00 C ATOM 0 H ALA A 63 -1.710 5.079 6.281 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.288 6.680 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.697 4.846 9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.474 5.577 8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.663 3.999 8.114 1.00 0.00 H new ATOM 939 N VAL A 64 0.877 4.580 8.052 1.00 0.00 N ATOM 940 CA VAL A 64 2.125 3.936 8.501 1.00 0.00 C ATOM 941 C VAL A 64 3.249 4.953 8.663 1.00 0.00 C ATOM 942 O VAL A 64 4.123 4.800 9.512 1.00 0.00 O ATOM 943 CB VAL A 64 2.566 2.778 7.575 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.510 3.133 6.437 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.310 1.735 8.414 1.00 0.00 C ATOM 0 H VAL A 64 0.829 4.698 7.040 1.00 0.00 H new ATOM 0 HA VAL A 64 1.910 3.501 9.477 1.00 0.00 H new ATOM 0 HB VAL A 64 1.634 2.437 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.742 2.236 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.035 3.867 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.430 3.551 6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.627 0.912 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.185 2.195 8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.648 1.355 9.192 1.00 0.00 H new ATOM 955 N SER A 65 3.230 6.019 7.863 1.00 0.00 N ATOM 956 CA SER A 65 4.103 7.175 8.044 1.00 0.00 C ATOM 957 C SER A 65 3.419 8.470 7.560 1.00 0.00 C ATOM 958 O SER A 65 3.818 9.052 6.547 1.00 0.00 O ATOM 959 CB SER A 65 5.506 6.934 7.470 1.00 0.00 C ATOM 960 OG SER A 65 5.915 5.575 7.429 1.00 0.00 O ATOM 0 H SER A 65 2.602 6.104 7.064 1.00 0.00 H new ATOM 0 HA SER A 65 4.271 7.319 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.542 7.339 6.459 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.226 7.496 8.064 1.00 0.00 H new ATOM 0 HG SER A 65 6.003 5.288 6.496 1.00 0.00 H new ATOM 966 N PRO A 66 2.354 8.905 8.262 1.00 0.00 N ATOM 967 CA PRO A 66 1.593 10.107 7.935 1.00 0.00 C ATOM 968 C PRO A 66 2.467 11.363 7.950 1.00 0.00 C ATOM 969 O PRO A 66 3.395 11.481 8.747 1.00 0.00 O ATOM 970 CB PRO A 66 0.443 10.183 8.951 1.00 0.00 C ATOM 971 CG PRO A 66 0.868 9.240 10.079 1.00 0.00 C ATOM 972 CD PRO A 66 1.697 8.193 9.347 1.00 0.00 C ATOM 0 HA PRO A 66 1.202 10.054 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.302 11.200 9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.502 9.870 8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.451 9.757 10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.008 8.797 10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.427 7.734 10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.066 7.391 8.964 1.00 0.00 H new ATOM 980 N GLY A 67 2.180 12.289 7.028 1.00 0.00 N ATOM 981 CA GLY A 67 2.967 13.507 6.787 1.00 0.00 C ATOM 982 C GLY A 67 4.167 13.274 5.865 1.00 0.00 C ATOM 983 O GLY A 67 4.440 14.100 5.002 1.00 0.00 O ATOM 0 H GLY A 67 1.372 12.211 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.322 14.268 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.320 13.899 7.741 1.00 0.00 H new ATOM 987 N LEU A 68 4.851 12.136 6.014 1.00 0.00 N ATOM 988 CA LEU A 68 5.943 11.695 5.140 1.00 0.00 C ATOM 989 C LEU A 68 5.409 11.105 3.823 1.00 0.00 C ATOM 990 O LEU A 68 5.950 11.336 2.742 1.00 0.00 O ATOM 991 CB LEU A 68 6.766 10.671 5.938 1.00 0.00 C ATOM 992 CG LEU A 68 7.976 10.097 5.185 1.00 0.00 C ATOM 993 CD1 LEU A 68 9.064 11.148 4.957 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.557 8.953 6.009 1.00 0.00 C ATOM 0 H LEU A 68 4.655 11.477 6.767 1.00 0.00 H new ATOM 0 HA LEU A 68 6.569 12.538 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.116 11.142 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.113 9.849 6.231 1.00 0.00 H new ATOM 0 HG LEU A 68 7.638 9.753 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.899 10.697 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.658 11.971 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.411 11.527 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.418 8.532 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.868 9.328 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.800 8.180 6.143 1.00 0.00 H new ATOM 1006 N TYR A 69 4.346 10.306 3.918 1.00 0.00 N ATOM 1007 CA TYR A 69 3.848 9.478 2.823 1.00 0.00 C ATOM 1008 C TYR A 69 2.932 10.212 1.830 1.00 0.00 C ATOM 1009 O TYR A 69 1.702 10.231 1.940 1.00 0.00 O ATOM 1010 CB TYR A 69 3.193 8.210 3.393 1.00 0.00 C ATOM 1011 CG TYR A 69 4.135 7.063 3.719 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.517 7.242 3.949 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.612 5.761 3.723 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.342 6.140 4.239 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.439 4.653 3.920 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.798 4.838 4.237 1.00 0.00 C ATOM 1017 OH TYR A 69 6.547 3.766 4.596 1.00 0.00 O ATOM 0 H TYR A 69 3.798 10.216 4.774 1.00 0.00 H new ATOM 0 HA TYR A 69 4.712 9.200 2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.654 8.480 4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.453 7.854 2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.944 8.233 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.553 5.613 3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.388 6.290 4.462 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.036 3.655 3.829 1.00 0.00 H new ATOM 0 HH TYR A 69 7.478 4.045 4.722 1.00 0.00 H new ATOM 1027 N ARG A 70 3.540 10.703 0.751 1.00 0.00 N ATOM 1028 CA ARG A 70 2.881 11.244 -0.445 1.00 0.00 C ATOM 1029 C ARG A 70 2.268 10.120 -1.297 1.00 0.00 C ATOM 1030 O ARG A 70 2.743 9.803 -2.390 1.00 0.00 O ATOM 1031 CB ARG A 70 3.957 12.003 -1.210 1.00 0.00 C ATOM 1032 CG ARG A 70 3.559 13.138 -2.129 1.00 0.00 C ATOM 1033 CD ARG A 70 2.809 12.852 -3.420 1.00 0.00 C ATOM 1034 NE ARG A 70 3.644 13.103 -4.609 1.00 0.00 N ATOM 1035 CZ ARG A 70 3.259 13.305 -5.860 1.00 0.00 C ATOM 1036 NH1 ARG A 70 1.996 13.309 -6.228 1.00 0.00 N ATOM 1037 NH2 ARG A 70 4.188 13.497 -6.767 1.00 0.00 N ATOM 0 H ARG A 70 4.557 10.738 0.680 1.00 0.00 H new ATOM 0 HA ARG A 70 2.053 11.901 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.656 12.406 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.507 11.276 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.947 13.826 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.471 13.671 -2.397 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.475 11.814 -3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.915 13.474 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 70 4.651 13.124 -4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.263 13.152 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.750 13.469 -7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.172 13.488 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.926 13.655 -7.740 1.00 0.00 H new ATOM 1051 N VAL A 71 1.261 9.454 -0.754 1.00 0.00 N ATOM 1052 CA VAL A 71 0.631 8.284 -1.395 1.00 0.00 C ATOM 1053 C VAL A 71 -0.301 8.720 -2.516 1.00 0.00 C ATOM 1054 O VAL A 71 -1.142 9.602 -2.352 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.116 7.325 -0.448 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.379 5.965 -1.123 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.701 7.059 0.817 1.00 0.00 C ATOM 0 H VAL A 71 0.848 9.701 0.145 1.00 0.00 H new ATOM 0 HA VAL A 71 1.471 7.711 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.060 7.808 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.907 5.311 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.986 6.113 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.570 5.507 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.152 6.379 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.656 6.609 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.878 7.999 1.340 1.00 0.00 H new ATOM 1067 N SER A 72 -0.132 8.078 -3.664 1.00 0.00 N ATOM 1068 CA SER A 72 -0.836 8.354 -4.909 1.00 0.00 C ATOM 1069 C SER A 72 -1.225 7.018 -5.573 1.00 0.00 C ATOM 1070 O SER A 72 -0.505 6.039 -5.424 1.00 0.00 O ATOM 1071 CB SER A 72 0.111 9.156 -5.821 1.00 0.00 C ATOM 1072 OG SER A 72 0.933 10.094 -5.128 1.00 0.00 O ATOM 0 H SER A 72 0.534 7.311 -3.757 1.00 0.00 H new ATOM 0 HA SER A 72 -1.744 8.929 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.751 8.460 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.483 9.689 -6.564 1.00 0.00 H new ATOM 0 HG SER A 72 1.507 10.563 -5.769 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.341 6.918 -6.294 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.728 5.710 -7.059 1.00 0.00 C ATOM 1080 C ILE A 73 -2.198 5.807 -8.487 1.00 0.00 C ATOM 1081 O ILE A 73 -2.411 6.823 -9.144 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.267 5.536 -7.048 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.706 5.221 -5.603 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.731 4.416 -8.007 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.215 5.147 -5.386 1.00 0.00 C ATOM 0 H ILE A 73 -3.017 7.678 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.287 4.832 -6.587 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.729 6.459 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.265 4.270 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.296 5.984 -4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.817 4.329 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.424 4.658 -9.024 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.280 3.470 -7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.421 4.921 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.667 6.104 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.635 4.363 -6.016 1.00 0.00 H new ATOM 1097 N THR A 74 -1.528 4.757 -8.972 1.00 0.00 N ATOM 1098 CA THR A 74 -0.993 4.700 -10.334 1.00 0.00 C ATOM 1099 C THR A 74 -1.979 3.995 -11.257 1.00 0.00 C ATOM 1100 O THR A 74 -1.969 2.772 -11.366 1.00 0.00 O ATOM 1101 CB THR A 74 0.400 4.043 -10.358 1.00 0.00 C ATOM 1102 OG1 THR A 74 0.945 3.894 -9.067 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.377 4.939 -11.111 1.00 0.00 C ATOM 0 H THR A 74 -1.341 3.917 -8.425 1.00 0.00 H new ATOM 0 HA THR A 74 -0.864 5.717 -10.703 1.00 0.00 H new ATOM 0 HB THR A 74 0.268 3.068 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.827 3.472 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.362 4.472 -11.126 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.027 5.081 -12.133 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.442 5.906 -10.612 1.00 0.00 H new