USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=25 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 37 SER OG : rot -158:sc= 0.0667 USER MOD Set 1.2: A 40 ASN : amide:sc= -0.636 K(o=-0.57,f=-1.2) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -1.16 K(o=-2,f=-1.1!) USER MOD Set 2.2: A 17 CYS SG : rot -62:sc= -1.13 USER MOD Set 2.3: A 20 ASN : amide:sc= -1.58! K(o=-2!,f=-0.82) USER MOD Set 2.4: A 65 SER OG : rot -151:sc= 0.906 USER MOD Set 2.5: A 69 TYR OH : rot 4:sc= 0.918 USER MOD Set 3.1: A 3 SER OG : rot -127:sc= 0.219 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0.0507 USER MOD Single : A 4 THR OG1 : rot -3:sc= 0.894 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -173:sc= 0 (180deg=-0.0694) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.358 USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 0.744 (180deg=0.164!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0991 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 73:sc= 1.22 USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.793 USER MOD Single : A 26 SER OG : rot -41:sc= 0.908 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 -36:sc= 0.188 USER MOD Single : A 33 SER OG : rot 30:sc= 1.23 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.044) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 2.24 (180deg=2.2) USER MOD Single : A 72 SER OG : rot -76:sc= 0.514 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -11.222 -12.106 -5.772 1.00 0.00 N ATOM 16 CA ASP A 2 -10.370 -11.087 -5.170 1.00 0.00 C ATOM 17 C ASP A 2 -10.031 -9.936 -6.141 1.00 0.00 C ATOM 18 O ASP A 2 -9.972 -10.089 -7.360 1.00 0.00 O ATOM 19 CB ASP A 2 -9.122 -11.743 -4.532 1.00 0.00 C ATOM 20 CG ASP A 2 -8.500 -12.915 -5.315 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.176 -13.963 -5.454 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.311 -12.843 -5.690 1.00 0.00 O ATOM 0 HA ASP A 2 -10.932 -10.607 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.360 -10.975 -4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.391 -12.099 -3.538 1.00 0.00 H new ATOM 27 N SER A 3 -9.857 -8.751 -5.565 1.00 0.00 N ATOM 28 CA SER A 3 -9.570 -7.481 -6.229 1.00 0.00 C ATOM 29 C SER A 3 -8.159 -6.988 -5.879 1.00 0.00 C ATOM 30 O SER A 3 -7.450 -7.571 -5.058 1.00 0.00 O ATOM 31 CB SER A 3 -10.621 -6.455 -5.774 1.00 0.00 C ATOM 32 OG SER A 3 -10.576 -5.231 -6.489 1.00 0.00 O ATOM 0 H SER A 3 -9.917 -8.644 -4.552 1.00 0.00 H new ATOM 0 HA SER A 3 -9.613 -7.613 -7.310 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.613 -6.893 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.479 -6.250 -4.713 1.00 0.00 H new ATOM 0 HG SER A 3 -10.513 -4.485 -5.857 1.00 0.00 H new ATOM 38 N THR A 4 -7.736 -5.871 -6.469 1.00 0.00 N ATOM 39 CA THR A 4 -6.418 -5.285 -6.201 1.00 0.00 C ATOM 40 C THR A 4 -6.407 -3.796 -6.469 1.00 0.00 C ATOM 41 O THR A 4 -7.258 -3.257 -7.173 1.00 0.00 O ATOM 42 CB THR A 4 -5.305 -6.029 -6.964 1.00 0.00 C ATOM 43 OG1 THR A 4 -4.134 -6.004 -6.190 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.896 -5.411 -8.300 1.00 0.00 C ATOM 0 H THR A 4 -8.293 -5.347 -7.144 1.00 0.00 H new ATOM 0 HA THR A 4 -6.208 -5.412 -5.139 1.00 0.00 H new ATOM 0 HB THR A 4 -5.720 -7.019 -7.152 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.291 -5.481 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.108 -6.012 -8.753 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.758 -5.382 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.530 -4.398 -8.135 1.00 0.00 H new ATOM 52 N ALA A 5 -5.383 -3.145 -5.931 1.00 0.00 N ATOM 53 CA ALA A 5 -5.021 -1.770 -6.223 1.00 0.00 C ATOM 54 C ALA A 5 -3.502 -1.583 -6.094 1.00 0.00 C ATOM 55 O ALA A 5 -2.817 -2.372 -5.420 1.00 0.00 O ATOM 56 CB ALA A 5 -5.807 -0.849 -5.285 1.00 0.00 C ATOM 0 H ALA A 5 -4.759 -3.581 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.280 -1.513 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.546 0.189 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.876 -0.993 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.559 -1.086 -4.250 1.00 0.00 H new ATOM 62 N THR A 6 -2.992 -0.523 -6.740 1.00 0.00 N ATOM 63 CA THR A 6 -1.603 -0.060 -6.618 1.00 0.00 C ATOM 64 C THR A 6 -1.554 1.283 -5.936 1.00 0.00 C ATOM 65 O THR A 6 -2.485 2.080 -6.020 1.00 0.00 O ATOM 66 CB THR A 6 -0.869 -0.016 -7.964 1.00 0.00 C ATOM 67 OG1 THR A 6 0.381 -0.631 -7.777 1.00 0.00 O ATOM 68 CG2 THR A 6 -0.589 1.360 -8.571 1.00 0.00 C ATOM 0 H THR A 6 -3.548 0.049 -7.376 1.00 0.00 H new ATOM 0 HA THR A 6 -1.078 -0.791 -6.004 1.00 0.00 H new ATOM 0 HB THR A 6 -1.545 -0.509 -8.663 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.879 -0.622 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.066 1.240 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.531 1.882 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.030 1.940 -7.887 1.00 0.00 H new ATOM 76 N PHE A 7 -0.410 1.528 -5.321 1.00 0.00 N ATOM 77 CA PHE A 7 -0.137 2.722 -4.531 1.00 0.00 C ATOM 78 C PHE A 7 1.348 3.069 -4.572 1.00 0.00 C ATOM 79 O PHE A 7 2.210 2.194 -4.522 1.00 0.00 O ATOM 80 CB PHE A 7 -0.587 2.519 -3.081 1.00 0.00 C ATOM 81 CG PHE A 7 -2.018 2.031 -2.928 1.00 0.00 C ATOM 82 CD1 PHE A 7 -3.077 2.960 -2.965 1.00 0.00 C ATOM 83 CD2 PHE A 7 -2.314 0.651 -2.884 1.00 0.00 C ATOM 84 CE1 PHE A 7 -4.402 2.511 -3.001 1.00 0.00 C ATOM 85 CE2 PHE A 7 -3.642 0.213 -2.902 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.689 1.142 -2.966 1.00 0.00 C ATOM 0 H PHE A 7 0.380 0.884 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.700 3.550 -4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.081 1.802 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.479 3.462 -2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.866 4.019 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.511 -0.070 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.209 3.227 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.861 -0.844 -2.866 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.714 0.803 -2.988 1.00 0.00 H new ATOM 96 N ILE A 8 1.661 4.356 -4.630 1.00 0.00 N ATOM 97 CA ILE A 8 3.017 4.889 -4.633 1.00 0.00 C ATOM 98 C ILE A 8 3.177 5.927 -3.537 1.00 0.00 C ATOM 99 O ILE A 8 2.252 6.684 -3.278 1.00 0.00 O ATOM 100 CB ILE A 8 3.346 5.422 -6.041 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.836 5.785 -6.120 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.462 6.590 -6.506 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.415 5.551 -7.514 1.00 0.00 C ATOM 0 H ILE A 8 0.950 5.086 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 8 3.740 4.105 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 8 3.120 4.614 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.968 6.831 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.392 5.192 -5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.765 6.900 -7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.419 6.272 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.574 7.428 -5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.471 5.822 -7.520 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.309 4.499 -7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.879 6.164 -8.238 1.00 0.00 H new ATOM 115 N ILE A 9 4.332 5.901 -2.872 1.00 0.00 N ATOM 116 CA ILE A 9 4.655 6.654 -1.669 1.00 0.00 C ATOM 117 C ILE A 9 5.807 7.612 -1.961 1.00 0.00 C ATOM 118 O ILE A 9 6.977 7.236 -1.917 1.00 0.00 O ATOM 119 CB ILE A 9 5.067 5.679 -0.546 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.016 4.587 -0.258 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.340 6.489 0.736 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.032 3.334 -1.134 1.00 0.00 C ATOM 0 H ILE A 9 5.110 5.318 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 9 3.781 7.224 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 9 5.962 5.157 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.135 4.272 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.029 5.042 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.632 5.812 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.144 7.202 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.437 7.027 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.239 2.657 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.873 3.616 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.996 2.834 -1.037 1.00 0.00 H new ATOM 134 N ASP A 10 5.485 8.866 -2.223 1.00 0.00 N ATOM 135 CA ASP A 10 6.452 9.837 -2.732 1.00 0.00 C ATOM 136 C ASP A 10 7.218 10.588 -1.631 1.00 0.00 C ATOM 137 O ASP A 10 7.122 11.799 -1.442 1.00 0.00 O ATOM 138 CB ASP A 10 5.728 10.734 -3.736 1.00 0.00 C ATOM 139 CG ASP A 10 6.195 10.577 -5.184 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.656 9.476 -5.578 1.00 0.00 O ATOM 141 OD2 ASP A 10 6.118 11.598 -5.900 1.00 0.00 O ATOM 0 H ASP A 10 4.547 9.245 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 10 7.259 9.316 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.660 10.522 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.861 11.773 -3.436 1.00 0.00 H new ATOM 146 N GLY A 11 8.005 9.803 -0.908 1.00 0.00 N ATOM 147 CA GLY A 11 8.928 10.244 0.132 1.00 0.00 C ATOM 148 C GLY A 11 9.532 9.012 0.759 1.00 0.00 C ATOM 149 O GLY A 11 10.736 8.780 0.682 1.00 0.00 O ATOM 0 H GLY A 11 8.019 8.791 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.706 10.879 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.405 10.838 0.882 1.00 0.00 H new ATOM 153 N MET A 12 8.626 8.177 1.276 1.00 0.00 N ATOM 154 CA MET A 12 8.931 6.949 2.011 1.00 0.00 C ATOM 155 C MET A 12 10.056 7.223 3.030 1.00 0.00 C ATOM 156 O MET A 12 10.144 8.319 3.561 1.00 0.00 O ATOM 157 CB MET A 12 9.189 5.846 0.966 1.00 0.00 C ATOM 158 CG MET A 12 9.088 4.418 1.469 1.00 0.00 C ATOM 159 SD MET A 12 10.603 3.443 1.303 1.00 0.00 S ATOM 160 CE MET A 12 10.603 3.234 -0.495 1.00 0.00 C ATOM 0 H MET A 12 7.624 8.345 1.190 1.00 0.00 H new ATOM 0 HA MET A 12 8.110 6.590 2.631 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.479 5.974 0.149 1.00 0.00 H new ATOM 0 HB3 MET A 12 10.185 5.994 0.549 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.799 4.438 2.520 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.287 3.913 0.928 1.00 0.00 H new ATOM 0 HE1 MET A 12 11.401 2.549 -0.782 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.643 2.828 -0.814 1.00 0.00 H new ATOM 0 HE3 MET A 12 10.765 4.200 -0.974 1.00 0.00 H new ATOM 170 N HIS A 13 10.901 6.246 3.356 1.00 0.00 N ATOM 171 CA HIS A 13 12.144 6.517 4.106 1.00 0.00 C ATOM 172 C HIS A 13 13.388 6.079 3.309 1.00 0.00 C ATOM 173 O HIS A 13 14.428 6.707 3.481 1.00 0.00 O ATOM 174 CB HIS A 13 12.176 5.814 5.476 1.00 0.00 C ATOM 175 CG HIS A 13 11.264 6.290 6.596 1.00 0.00 C ATOM 176 ND1 HIS A 13 11.458 5.997 7.930 1.00 0.00 N ATOM 177 CD2 HIS A 13 10.047 6.920 6.517 1.00 0.00 C ATOM 178 CE1 HIS A 13 10.387 6.418 8.623 1.00 0.00 C ATOM 179 NE2 HIS A 13 9.488 6.971 7.799 1.00 0.00 N ATOM 0 H HIS A 13 10.757 5.265 3.119 1.00 0.00 H new ATOM 0 HA HIS A 13 12.160 7.595 4.264 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.956 4.760 5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.200 5.870 5.846 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.278 5.537 8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.596 7.311 5.617 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.268 6.324 9.692 1.00 0.00 H new ATOM 187 N CYS A 14 13.294 5.001 2.499 1.00 0.00 N ATOM 188 CA CYS A 14 14.366 4.435 1.636 1.00 0.00 C ATOM 189 C CYS A 14 14.099 2.995 1.193 1.00 0.00 C ATOM 190 O CYS A 14 13.814 2.721 0.035 1.00 0.00 O ATOM 191 CB CYS A 14 15.792 4.525 2.244 1.00 0.00 C ATOM 192 SG CYS A 14 15.874 3.984 3.983 1.00 0.00 S ATOM 0 H CYS A 14 12.425 4.472 2.422 1.00 0.00 H new ATOM 0 HA CYS A 14 14.336 5.082 0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.472 3.915 1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.144 5.554 2.175 1.00 0.00 H new ATOM 0 HG CYS A 14 17.096 4.088 4.413 1.00 0.00 H new ATOM 198 N LYS A 15 14.241 2.069 2.138 1.00 0.00 N ATOM 199 CA LYS A 15 14.279 0.631 1.881 1.00 0.00 C ATOM 200 C LYS A 15 13.587 -0.120 3.025 1.00 0.00 C ATOM 201 O LYS A 15 12.540 -0.706 2.804 1.00 0.00 O ATOM 202 CB LYS A 15 15.755 0.234 1.649 1.00 0.00 C ATOM 203 CG LYS A 15 15.952 -0.811 0.534 1.00 0.00 C ATOM 204 CD LYS A 15 15.706 -0.246 -0.877 1.00 0.00 C ATOM 205 CE LYS A 15 16.156 -1.249 -1.951 1.00 0.00 C ATOM 206 NZ LYS A 15 15.939 -0.730 -3.316 1.00 0.00 N ATOM 0 H LYS A 15 14.335 2.303 3.126 1.00 0.00 H new ATOM 0 HA LYS A 15 13.724 0.355 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.327 1.128 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.166 -0.159 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.967 -1.204 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.276 -1.648 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.647 -0.020 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.248 0.692 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.213 -1.478 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.609 -2.183 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.600 -1.192 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.962 -0.929 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.102 0.297 -3.327 1.00 0.00 H new ATOM 220 N SER A 16 14.015 0.032 4.280 1.00 0.00 N ATOM 221 CA SER A 16 13.304 -0.498 5.464 1.00 0.00 C ATOM 222 C SER A 16 11.822 -0.094 5.520 1.00 0.00 C ATOM 223 O SER A 16 11.004 -0.897 5.958 1.00 0.00 O ATOM 224 CB SER A 16 14.007 -0.018 6.750 1.00 0.00 C ATOM 225 OG SER A 16 15.394 0.217 6.533 1.00 0.00 O ATOM 0 H SER A 16 14.873 0.531 4.514 1.00 0.00 H new ATOM 0 HA SER A 16 13.336 -1.584 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.533 0.898 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.882 -0.765 7.534 1.00 0.00 H new ATOM 0 HG SER A 16 15.809 0.522 7.367 1.00 0.00 H new ATOM 231 N CYS A 17 11.441 1.083 4.988 1.00 0.00 N ATOM 232 CA CYS A 17 10.022 1.431 4.875 1.00 0.00 C ATOM 233 C CYS A 17 9.230 0.413 4.065 1.00 0.00 C ATOM 234 O CYS A 17 8.155 0.042 4.510 1.00 0.00 O ATOM 235 CB CYS A 17 9.812 2.877 4.407 1.00 0.00 C ATOM 236 SG CYS A 17 9.357 3.830 5.876 1.00 0.00 S ATOM 0 H CYS A 17 12.085 1.792 4.638 1.00 0.00 H new ATOM 0 HA CYS A 17 9.609 1.382 5.883 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.720 3.274 3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.028 2.930 3.651 1.00 0.00 H new ATOM 0 HG CYS A 17 8.242 3.372 6.362 1.00 0.00 H new ATOM 242 N VAL A 18 9.780 -0.081 2.960 1.00 0.00 N ATOM 243 CA VAL A 18 9.139 -1.010 2.023 1.00 0.00 C ATOM 244 C VAL A 18 8.541 -2.236 2.742 1.00 0.00 C ATOM 245 O VAL A 18 7.398 -2.616 2.496 1.00 0.00 O ATOM 246 CB VAL A 18 10.177 -1.432 0.959 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.589 -2.453 0.012 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.684 -0.224 0.151 1.00 0.00 C ATOM 0 H VAL A 18 10.729 0.164 2.676 1.00 0.00 H new ATOM 0 HA VAL A 18 8.302 -0.505 1.540 1.00 0.00 H new ATOM 0 HB VAL A 18 11.019 -1.873 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.337 -2.736 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.282 -3.336 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.723 -2.025 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.412 -0.560 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.845 0.252 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.154 0.493 0.824 1.00 0.00 H new ATOM 258 N SER A 19 9.283 -2.791 3.701 1.00 0.00 N ATOM 259 CA SER A 19 8.878 -3.941 4.517 1.00 0.00 C ATOM 260 C SER A 19 7.768 -3.607 5.531 1.00 0.00 C ATOM 261 O SER A 19 6.830 -4.390 5.696 1.00 0.00 O ATOM 262 CB SER A 19 10.149 -4.413 5.233 1.00 0.00 C ATOM 263 OG SER A 19 9.939 -5.587 5.997 1.00 0.00 O ATOM 0 H SER A 19 10.212 -2.443 3.940 1.00 0.00 H new ATOM 0 HA SER A 19 8.449 -4.715 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.930 -4.599 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.510 -3.619 5.886 1.00 0.00 H new ATOM 0 HG SER A 19 10.777 -5.848 6.432 1.00 0.00 H new ATOM 269 N ASN A 20 7.788 -2.413 6.143 1.00 0.00 N ATOM 270 CA ASN A 20 6.668 -1.928 6.961 1.00 0.00 C ATOM 271 C ASN A 20 5.377 -1.812 6.162 1.00 0.00 C ATOM 272 O ASN A 20 4.301 -2.046 6.706 1.00 0.00 O ATOM 273 CB ASN A 20 6.930 -0.520 7.483 1.00 0.00 C ATOM 274 CG ASN A 20 8.122 -0.417 8.407 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.322 -1.193 9.326 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.963 0.557 8.136 1.00 0.00 N ATOM 0 H ASN A 20 8.572 -1.763 6.086 1.00 0.00 H new ATOM 0 HA ASN A 20 6.574 -2.657 7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.082 0.148 6.635 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.043 -0.169 8.011 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.805 0.676 8.700 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.774 1.194 7.362 1.00 0.00 H new ATOM 283 N ILE A 21 5.480 -1.400 4.892 1.00 0.00 N ATOM 284 CA ILE A 21 4.307 -1.164 4.046 1.00 0.00 C ATOM 285 C ILE A 21 3.641 -2.496 3.752 1.00 0.00 C ATOM 286 O ILE A 21 2.449 -2.621 4.003 1.00 0.00 O ATOM 287 CB ILE A 21 4.641 -0.397 2.749 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.763 0.653 2.955 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.322 0.158 2.181 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.769 1.815 1.955 1.00 0.00 C ATOM 0 H ILE A 21 6.370 -1.223 4.427 1.00 0.00 H new ATOM 0 HA ILE A 21 3.618 -0.518 4.590 1.00 0.00 H new ATOM 0 HB ILE A 21 5.072 -1.065 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.673 1.063 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.726 0.145 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.524 0.707 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.642 -0.667 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.865 0.827 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.592 2.491 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.894 1.425 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.825 2.356 2.021 1.00 0.00 H new ATOM 302 N GLU A 22 4.427 -3.494 3.341 1.00 0.00 N ATOM 303 CA GLU A 22 3.975 -4.875 3.222 1.00 0.00 C ATOM 304 C GLU A 22 3.378 -5.385 4.528 1.00 0.00 C ATOM 305 O GLU A 22 2.242 -5.840 4.538 1.00 0.00 O ATOM 306 CB GLU A 22 5.136 -5.760 2.754 1.00 0.00 C ATOM 307 CG GLU A 22 5.276 -5.614 1.240 1.00 0.00 C ATOM 308 CD GLU A 22 6.220 -6.641 0.623 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.249 -6.921 1.277 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.915 -7.082 -0.511 1.00 0.00 O ATOM 0 H GLU A 22 5.404 -3.361 3.080 1.00 0.00 H new ATOM 0 HA GLU A 22 3.180 -4.916 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.061 -5.466 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.950 -6.801 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.293 -5.711 0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.639 -4.612 1.010 1.00 0.00 H new ATOM 317 N SER A 23 4.092 -5.251 5.644 1.00 0.00 N ATOM 318 CA SER A 23 3.621 -5.775 6.930 1.00 0.00 C ATOM 319 C SER A 23 2.301 -5.141 7.394 1.00 0.00 C ATOM 320 O SER A 23 1.409 -5.855 7.859 1.00 0.00 O ATOM 321 CB SER A 23 4.705 -5.578 8.000 1.00 0.00 C ATOM 322 OG SER A 23 5.949 -6.136 7.604 1.00 0.00 O ATOM 0 H SER A 23 4.998 -4.785 5.687 1.00 0.00 H new ATOM 0 HA SER A 23 3.423 -6.837 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.831 -4.513 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.381 -6.039 8.933 1.00 0.00 H new ATOM 0 HG SER A 23 6.353 -5.575 6.909 1.00 0.00 H new ATOM 328 N THR A 24 2.150 -3.821 7.221 1.00 0.00 N ATOM 329 CA THR A 24 0.953 -3.058 7.600 1.00 0.00 C ATOM 330 C THR A 24 -0.222 -3.444 6.707 1.00 0.00 C ATOM 331 O THR A 24 -1.312 -3.755 7.188 1.00 0.00 O ATOM 332 CB THR A 24 1.248 -1.537 7.614 1.00 0.00 C ATOM 333 OG1 THR A 24 2.280 -1.320 8.543 1.00 0.00 O ATOM 334 CG2 THR A 24 0.040 -0.727 8.084 1.00 0.00 C ATOM 0 H THR A 24 2.876 -3.239 6.803 1.00 0.00 H new ATOM 0 HA THR A 24 0.666 -3.314 8.620 1.00 0.00 H new ATOM 0 HB THR A 24 1.508 -1.224 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.144 -1.517 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.289 0.334 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.801 -0.905 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.231 -1.031 9.095 1.00 0.00 H new ATOM 342 N LEU A 25 0.000 -3.451 5.394 1.00 0.00 N ATOM 343 CA LEU A 25 -1.020 -3.763 4.395 1.00 0.00 C ATOM 344 C LEU A 25 -1.346 -5.254 4.286 1.00 0.00 C ATOM 345 O LEU A 25 -2.375 -5.591 3.724 1.00 0.00 O ATOM 346 CB LEU A 25 -0.567 -3.193 3.050 1.00 0.00 C ATOM 347 CG LEU A 25 -0.652 -1.661 2.875 1.00 0.00 C ATOM 348 CD1 LEU A 25 -2.022 -1.336 2.287 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.440 -0.814 4.145 1.00 0.00 C ATOM 0 H LEU A 25 0.910 -3.236 4.987 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.953 -3.299 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.467 -3.496 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.165 -3.658 2.266 1.00 0.00 H new ATOM 0 HG LEU A 25 0.179 -1.390 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.113 -0.258 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.132 -1.834 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.801 -1.683 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.523 0.244 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.197 -1.072 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.550 -1.013 4.554 1.00 0.00 H new ATOM 361 N SER A 26 -0.524 -6.154 4.815 1.00 0.00 N ATOM 362 CA SER A 26 -0.820 -7.589 4.887 1.00 0.00 C ATOM 363 C SER A 26 -1.827 -7.986 5.986 1.00 0.00 C ATOM 364 O SER A 26 -2.201 -9.156 6.069 1.00 0.00 O ATOM 365 CB SER A 26 0.499 -8.346 5.105 1.00 0.00 C ATOM 366 OG SER A 26 1.067 -8.180 6.401 1.00 0.00 O ATOM 0 H SER A 26 0.382 -5.908 5.213 1.00 0.00 H new ATOM 0 HA SER A 26 -1.297 -7.856 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.327 -9.408 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.222 -8.014 4.360 1.00 0.00 H new ATOM 0 HG SER A 26 0.977 -7.245 6.680 1.00 0.00 H new ATOM 372 N ALA A 27 -2.290 -7.030 6.806 1.00 0.00 N ATOM 373 CA ALA A 27 -3.005 -7.313 8.056 1.00 0.00 C ATOM 374 C ALA A 27 -4.436 -6.756 8.115 1.00 0.00 C ATOM 375 O ALA A 27 -5.062 -6.750 9.175 1.00 0.00 O ATOM 376 CB ALA A 27 -2.139 -6.737 9.187 1.00 0.00 C ATOM 0 H ALA A 27 -2.177 -6.034 6.618 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.144 -8.390 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.624 -6.919 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.161 -7.219 9.178 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.016 -5.664 9.041 1.00 0.00 H new ATOM 382 N LEU A 28 -4.950 -6.221 7.007 1.00 0.00 N ATOM 383 CA LEU A 28 -6.202 -5.468 7.024 1.00 0.00 C ATOM 384 C LEU A 28 -7.437 -6.378 7.051 1.00 0.00 C ATOM 385 O LEU A 28 -7.441 -7.464 6.473 1.00 0.00 O ATOM 386 CB LEU A 28 -6.242 -4.461 5.861 1.00 0.00 C ATOM 387 CG LEU A 28 -5.083 -3.445 5.908 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.819 -2.810 4.543 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.431 -2.333 6.897 1.00 0.00 C ATOM 0 H LEU A 28 -4.517 -6.296 6.086 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.234 -4.904 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.205 -5.003 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.190 -3.924 5.884 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.186 -3.983 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.995 -2.102 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.560 -3.587 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.714 -2.288 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.615 -1.611 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.344 -1.832 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.582 -2.761 7.888 1.00 0.00 H new ATOM 401 N GLN A 29 -8.528 -5.863 7.626 1.00 0.00 N ATOM 402 CA GLN A 29 -9.832 -6.527 7.833 1.00 0.00 C ATOM 403 C GLN A 29 -10.616 -6.821 6.532 1.00 0.00 C ATOM 404 O GLN A 29 -11.837 -6.941 6.542 1.00 0.00 O ATOM 405 CB GLN A 29 -10.681 -5.668 8.791 1.00 0.00 C ATOM 406 CG GLN A 29 -9.976 -5.335 10.117 1.00 0.00 C ATOM 407 CD GLN A 29 -10.902 -4.624 11.099 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.150 -5.090 12.194 1.00 0.00 O ATOM 409 NE2 GLN A 29 -11.455 -3.475 10.762 1.00 0.00 N ATOM 0 H GLN A 29 -8.531 -4.908 7.985 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.622 -7.506 8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.949 -4.738 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.611 -6.193 9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.605 -6.254 10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.109 -4.706 9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.262 -3.064 9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.076 -2.997 11.415 1.00 0.00 H new ATOM 418 N TYR A 30 -9.907 -6.909 5.410 1.00 0.00 N ATOM 419 CA TYR A 30 -10.411 -7.091 4.052 1.00 0.00 C ATOM 420 C TYR A 30 -9.333 -7.480 3.021 1.00 0.00 C ATOM 421 O TYR A 30 -9.684 -7.602 1.854 1.00 0.00 O ATOM 422 CB TYR A 30 -11.184 -5.830 3.603 1.00 0.00 C ATOM 423 CG TYR A 30 -10.595 -4.478 3.996 1.00 0.00 C ATOM 424 CD1 TYR A 30 -9.252 -4.146 3.713 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.413 -3.534 4.651 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.753 -2.880 4.067 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.913 -2.267 5.009 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.575 -1.934 4.711 1.00 0.00 C ATOM 429 OH TYR A 30 -9.077 -0.713 5.051 1.00 0.00 O ATOM 0 H TYR A 30 -8.889 -6.851 5.428 1.00 0.00 H new ATOM 0 HA TYR A 30 -11.087 -7.945 4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.274 -5.857 2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.194 -5.890 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.609 -4.864 3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.438 -3.786 4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.727 -2.630 3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.551 -1.554 5.509 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.778 -0.184 5.486 1.00 0.00 H new ATOM 439 N VAL A 31 -8.052 -7.672 3.373 1.00 0.00 N ATOM 440 CA VAL A 31 -6.978 -7.932 2.381 1.00 0.00 C ATOM 441 C VAL A 31 -6.556 -9.403 2.391 1.00 0.00 C ATOM 442 O VAL A 31 -6.477 -10.019 3.450 1.00 0.00 O ATOM 443 CB VAL A 31 -5.787 -6.957 2.499 1.00 0.00 C ATOM 444 CG1 VAL A 31 -5.089 -7.122 3.820 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.739 -7.044 1.373 1.00 0.00 C ATOM 0 H VAL A 31 -7.726 -7.653 4.339 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.402 -7.730 1.398 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.247 -5.973 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.254 -6.424 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.790 -6.919 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.717 -8.143 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.948 -6.317 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.312 -8.047 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.215 -6.830 0.416 1.00 0.00 H new ATOM 455 N SER A 32 -6.323 -9.983 1.211 1.00 0.00 N ATOM 456 CA SER A 32 -5.956 -11.397 1.080 1.00 0.00 C ATOM 457 C SER A 32 -4.508 -11.624 0.612 1.00 0.00 C ATOM 458 O SER A 32 -4.036 -12.758 0.686 1.00 0.00 O ATOM 459 CB SER A 32 -6.946 -12.094 0.138 1.00 0.00 C ATOM 460 OG SER A 32 -6.874 -13.498 0.315 1.00 0.00 O ATOM 0 H SER A 32 -6.383 -9.488 0.321 1.00 0.00 H new ATOM 0 HA SER A 32 -6.011 -11.833 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.959 -11.745 0.338 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.719 -11.837 -0.897 1.00 0.00 H new ATOM 0 HG SER A 32 -5.946 -13.758 0.494 1.00 0.00 H new ATOM 466 N SER A 33 -3.792 -10.594 0.145 1.00 0.00 N ATOM 467 CA SER A 33 -2.432 -10.664 -0.416 1.00 0.00 C ATOM 468 C SER A 33 -1.878 -9.271 -0.766 1.00 0.00 C ATOM 469 O SER A 33 -2.571 -8.260 -0.698 1.00 0.00 O ATOM 470 CB SER A 33 -2.398 -11.587 -1.645 1.00 0.00 C ATOM 471 OG SER A 33 -2.244 -12.938 -1.260 1.00 0.00 O ATOM 0 H SER A 33 -4.160 -9.643 0.147 1.00 0.00 H new ATOM 0 HA SER A 33 -1.786 -11.084 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.319 -11.471 -2.217 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.577 -11.296 -2.300 1.00 0.00 H new ATOM 0 HG SER A 33 -2.645 -13.074 -0.376 1.00 0.00 H new ATOM 477 N ILE A 34 -0.621 -9.218 -1.183 1.00 0.00 N ATOM 478 CA ILE A 34 0.206 -8.025 -1.419 1.00 0.00 C ATOM 479 C ILE A 34 1.564 -8.436 -2.003 1.00 0.00 C ATOM 480 O ILE A 34 2.006 -9.552 -1.743 1.00 0.00 O ATOM 481 CB ILE A 34 0.378 -7.199 -0.110 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.270 -5.957 -0.338 1.00 0.00 C ATOM 483 CG2 ILE A 34 0.947 -8.041 1.056 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.080 -4.888 0.725 1.00 0.00 C ATOM 0 H ILE A 34 -0.104 -10.074 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.299 -7.385 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.623 -6.873 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.315 -6.265 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.049 -5.532 -1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.046 -7.415 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.271 -8.869 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.925 -8.433 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.733 -4.042 0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.042 -4.555 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.329 -5.299 1.703 1.00 0.00 H new ATOM 496 N VAL A 35 2.180 -7.540 -2.775 1.00 0.00 N ATOM 497 CA VAL A 35 3.580 -7.547 -3.225 1.00 0.00 C ATOM 498 C VAL A 35 4.027 -6.104 -3.346 1.00 0.00 C ATOM 499 O VAL A 35 3.332 -5.291 -3.956 1.00 0.00 O ATOM 500 CB VAL A 35 3.794 -8.192 -4.610 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.173 -7.912 -5.248 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.679 -9.709 -4.466 1.00 0.00 C ATOM 0 H VAL A 35 1.678 -6.727 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 35 4.142 -8.131 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 35 3.035 -7.752 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.232 -8.405 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.302 -6.838 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.959 -8.296 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.828 -10.179 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.437 -10.067 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.689 -9.965 -4.087 1.00 0.00 H new ATOM 512 N VAL A 36 5.212 -5.806 -2.836 1.00 0.00 N ATOM 513 CA VAL A 36 5.860 -4.499 -3.054 1.00 0.00 C ATOM 514 C VAL A 36 7.046 -4.568 -4.021 1.00 0.00 C ATOM 515 O VAL A 36 7.752 -5.570 -4.120 1.00 0.00 O ATOM 516 CB VAL A 36 6.255 -3.869 -1.712 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.562 -4.466 -1.193 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.372 -2.338 -1.755 1.00 0.00 C ATOM 0 H VAL A 36 5.757 -6.450 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 36 5.126 -3.854 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 36 5.438 -4.106 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.821 -4.003 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.441 -5.540 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.358 -4.281 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.654 -1.967 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.132 -2.051 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.413 -1.908 -2.044 1.00 0.00 H new ATOM 528 N SER A 37 7.299 -3.456 -4.706 1.00 0.00 N ATOM 529 CA SER A 37 8.494 -3.265 -5.523 1.00 0.00 C ATOM 530 C SER A 37 9.639 -2.646 -4.701 1.00 0.00 C ATOM 531 O SER A 37 9.666 -1.432 -4.504 1.00 0.00 O ATOM 532 CB SER A 37 8.160 -2.335 -6.692 1.00 0.00 C ATOM 533 OG SER A 37 7.623 -3.011 -7.811 1.00 0.00 O ATOM 0 H SER A 37 6.672 -2.652 -4.709 1.00 0.00 H new ATOM 0 HA SER A 37 8.819 -4.239 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.448 -1.582 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.063 -1.806 -6.995 1.00 0.00 H new ATOM 0 HG SER A 37 7.752 -2.466 -8.615 1.00 0.00 H new ATOM 539 N LEU A 38 10.630 -3.451 -4.286 1.00 0.00 N ATOM 540 CA LEU A 38 11.801 -3.023 -3.490 1.00 0.00 C ATOM 541 C LEU A 38 12.630 -1.915 -4.168 1.00 0.00 C ATOM 542 O LEU A 38 13.155 -1.025 -3.496 1.00 0.00 O ATOM 543 CB LEU A 38 12.676 -4.269 -3.191 1.00 0.00 C ATOM 544 CG LEU A 38 13.045 -4.557 -1.715 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.311 -5.428 -1.689 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.279 -3.319 -0.835 1.00 0.00 C ATOM 0 H LEU A 38 10.643 -4.448 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 38 11.435 -2.582 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.157 -5.144 -3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.604 -4.169 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 38 12.176 -5.057 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.585 -5.641 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.119 -6.364 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.127 -4.898 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.531 -3.635 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.099 -2.730 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.373 -2.713 -0.811 1.00 0.00 H new ATOM 558 N GLU A 39 12.733 -1.965 -5.497 1.00 0.00 N ATOM 559 CA GLU A 39 13.482 -1.009 -6.324 1.00 0.00 C ATOM 560 C GLU A 39 12.637 0.168 -6.833 1.00 0.00 C ATOM 561 O GLU A 39 13.066 0.991 -7.639 1.00 0.00 O ATOM 562 CB GLU A 39 14.163 -1.749 -7.478 1.00 0.00 C ATOM 563 CG GLU A 39 15.131 -2.867 -7.042 1.00 0.00 C ATOM 564 CD GLU A 39 15.922 -2.500 -5.786 1.00 0.00 C ATOM 565 OE1 GLU A 39 16.698 -1.523 -5.803 1.00 0.00 O ATOM 566 OE2 GLU A 39 15.634 -3.066 -4.710 1.00 0.00 O ATOM 0 H GLU A 39 12.283 -2.696 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 39 14.238 -0.557 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.394 -2.181 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.712 -1.026 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.566 -3.781 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.825 -3.080 -7.855 1.00 0.00 H new ATOM 573 N ASN A 40 11.394 0.239 -6.380 1.00 0.00 N ATOM 574 CA ASN A 40 10.485 1.364 -6.550 1.00 0.00 C ATOM 575 C ASN A 40 10.084 1.915 -5.169 1.00 0.00 C ATOM 576 O ASN A 40 10.608 1.502 -4.136 1.00 0.00 O ATOM 577 CB ASN A 40 9.249 0.931 -7.345 1.00 0.00 C ATOM 578 CG ASN A 40 9.537 0.240 -8.675 1.00 0.00 C ATOM 579 OD1 ASN A 40 8.700 -0.493 -9.187 1.00 0.00 O ATOM 580 ND2 ASN A 40 10.699 0.455 -9.263 1.00 0.00 N ATOM 0 H ASN A 40 10.970 -0.527 -5.856 1.00 0.00 H new ATOM 0 HA ASN A 40 10.986 2.153 -7.110 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.657 0.258 -6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.635 1.811 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.909 0.008 -10.155 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.387 1.068 -8.825 1.00 0.00 H new ATOM 587 N ARG A 41 9.151 2.877 -5.135 1.00 0.00 N ATOM 588 CA ARG A 41 8.493 3.318 -3.896 1.00 0.00 C ATOM 589 C ARG A 41 6.992 2.983 -3.918 1.00 0.00 C ATOM 590 O ARG A 41 6.155 3.803 -3.550 1.00 0.00 O ATOM 591 CB ARG A 41 8.873 4.772 -3.531 1.00 0.00 C ATOM 592 CG ARG A 41 8.387 5.966 -4.378 1.00 0.00 C ATOM 593 CD ARG A 41 8.976 6.157 -5.784 1.00 0.00 C ATOM 594 NE ARG A 41 8.645 7.517 -6.266 1.00 0.00 N ATOM 595 CZ ARG A 41 9.315 8.343 -7.062 1.00 0.00 C ATOM 596 NH1 ARG A 41 10.471 8.027 -7.615 1.00 0.00 N ATOM 597 NH2 ARG A 41 8.798 9.528 -7.302 1.00 0.00 N ATOM 0 H ARG A 41 8.831 3.372 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 41 8.877 2.744 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.527 4.944 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.962 4.820 -3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.305 5.881 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.582 6.876 -3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.057 6.019 -5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.573 5.408 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 41 7.753 7.881 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.888 7.113 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.947 8.697 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.907 9.790 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.288 10.185 -7.909 1.00 0.00 H new ATOM 611 N SER A 42 6.623 1.781 -4.379 1.00 0.00 N ATOM 612 CA SER A 42 5.225 1.423 -4.692 1.00 0.00 C ATOM 613 C SER A 42 4.863 -0.049 -4.414 1.00 0.00 C ATOM 614 O SER A 42 5.724 -0.924 -4.508 1.00 0.00 O ATOM 615 CB SER A 42 4.906 1.768 -6.161 1.00 0.00 C ATOM 616 OG SER A 42 6.024 1.662 -7.037 1.00 0.00 O ATOM 0 H SER A 42 7.285 1.023 -4.548 1.00 0.00 H new ATOM 0 HA SER A 42 4.613 2.016 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.116 1.106 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.516 2.785 -6.208 1.00 0.00 H new ATOM 0 HG SER A 42 5.748 1.893 -7.949 1.00 0.00 H new ATOM 622 N ALA A 43 3.581 -0.307 -4.111 1.00 0.00 N ATOM 623 CA ALA A 43 3.013 -1.570 -3.606 1.00 0.00 C ATOM 624 C ALA A 43 1.703 -1.940 -4.320 1.00 0.00 C ATOM 625 O ALA A 43 0.836 -1.090 -4.506 1.00 0.00 O ATOM 626 CB ALA A 43 2.742 -1.402 -2.093 1.00 0.00 C ATOM 0 H ALA A 43 2.863 0.410 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 43 3.725 -2.373 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.320 -2.325 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.677 -1.178 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.038 -0.585 -1.938 1.00 0.00 H new ATOM 632 N ILE A 44 1.544 -3.218 -4.669 1.00 0.00 N ATOM 633 CA ILE A 44 0.339 -3.823 -5.254 1.00 0.00 C ATOM 634 C ILE A 44 -0.303 -4.666 -4.153 1.00 0.00 C ATOM 635 O ILE A 44 0.309 -5.604 -3.643 1.00 0.00 O ATOM 636 CB ILE A 44 0.693 -4.674 -6.493 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.321 -3.793 -7.600 1.00 0.00 C ATOM 638 CG2 ILE A 44 -0.573 -5.377 -7.028 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.048 -4.603 -8.679 1.00 0.00 C ATOM 0 H ILE A 44 2.293 -3.899 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.356 -3.059 -5.603 1.00 0.00 H new ATOM 0 HB ILE A 44 1.423 -5.428 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.538 -3.197 -8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.023 -3.095 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.315 -5.975 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.984 -6.024 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.315 -4.628 -7.307 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.465 -3.925 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.853 -5.178 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.344 -5.282 -9.160 1.00 0.00 H new ATOM 651 N VAL A 45 -1.529 -4.316 -3.786 1.00 0.00 N ATOM 652 CA VAL A 45 -2.241 -4.803 -2.597 1.00 0.00 C ATOM 653 C VAL A 45 -3.526 -5.516 -3.032 1.00 0.00 C ATOM 654 O VAL A 45 -4.373 -4.892 -3.663 1.00 0.00 O ATOM 655 CB VAL A 45 -2.620 -3.592 -1.730 1.00 0.00 C ATOM 656 CG1 VAL A 45 -3.219 -4.061 -0.391 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.441 -2.637 -1.452 1.00 0.00 C ATOM 0 H VAL A 45 -2.085 -3.655 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.608 -5.493 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.357 -3.031 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.483 -3.193 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.112 -4.656 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.486 -4.666 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.783 -1.806 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.651 -3.176 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.054 -2.252 -2.396 1.00 0.00 H new ATOM 667 N VAL A 46 -3.694 -6.797 -2.707 1.00 0.00 N ATOM 668 CA VAL A 46 -4.750 -7.687 -3.222 1.00 0.00 C ATOM 669 C VAL A 46 -5.789 -7.942 -2.121 1.00 0.00 C ATOM 670 O VAL A 46 -5.517 -8.645 -1.149 1.00 0.00 O ATOM 671 CB VAL A 46 -4.131 -9.025 -3.695 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.166 -10.058 -4.154 1.00 0.00 C ATOM 673 CG2 VAL A 46 -3.088 -8.843 -4.813 1.00 0.00 C ATOM 0 H VAL A 46 -3.074 -7.270 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.240 -7.211 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.638 -9.408 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.656 -10.968 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.841 -10.288 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.738 -9.654 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.691 -9.816 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.558 -8.373 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.276 -8.211 -4.453 1.00 0.00 H new ATOM 683 N TYR A 47 -6.979 -7.358 -2.252 1.00 0.00 N ATOM 684 CA TYR A 47 -8.031 -7.347 -1.226 1.00 0.00 C ATOM 685 C TYR A 47 -9.357 -7.985 -1.696 1.00 0.00 C ATOM 686 O TYR A 47 -9.641 -8.081 -2.885 1.00 0.00 O ATOM 687 CB TYR A 47 -8.221 -5.908 -0.722 1.00 0.00 C ATOM 688 CG TYR A 47 -8.882 -4.983 -1.723 1.00 0.00 C ATOM 689 CD1 TYR A 47 -10.285 -4.874 -1.745 1.00 0.00 C ATOM 690 CD2 TYR A 47 -8.104 -4.258 -2.643 1.00 0.00 C ATOM 691 CE1 TYR A 47 -10.908 -4.088 -2.731 1.00 0.00 C ATOM 692 CE2 TYR A 47 -8.719 -3.399 -3.573 1.00 0.00 C ATOM 693 CZ TYR A 47 -10.128 -3.346 -3.640 1.00 0.00 C ATOM 694 OH TYR A 47 -10.747 -2.614 -4.599 1.00 0.00 O ATOM 0 H TYR A 47 -7.250 -6.862 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.705 -7.979 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.821 -5.930 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.248 -5.498 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.881 -5.392 -1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.029 -4.361 -2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.986 -4.053 -2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.119 -2.786 -4.229 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.075 -2.158 -5.147 1.00 0.00 H new ATOM 704 N ASN A 48 -10.201 -8.424 -0.764 1.00 0.00 N ATOM 705 CA ASN A 48 -11.368 -9.252 -1.060 1.00 0.00 C ATOM 706 C ASN A 48 -12.664 -8.434 -1.194 1.00 0.00 C ATOM 707 O ASN A 48 -13.304 -8.103 -0.194 1.00 0.00 O ATOM 708 CB ASN A 48 -11.471 -10.336 0.026 1.00 0.00 C ATOM 709 CG ASN A 48 -12.536 -11.372 -0.306 1.00 0.00 C ATOM 710 OD1 ASN A 48 -12.232 -12.479 -0.712 1.00 0.00 O ATOM 711 ND2 ASN A 48 -13.808 -11.043 -0.174 1.00 0.00 N ATOM 0 H ASN A 48 -10.092 -8.213 0.228 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.236 -9.719 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.506 -10.830 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.704 -9.870 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.536 -11.716 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.062 -10.116 0.166 1.00 0.00 H new ATOM 780 N PRO A 54 -10.061 1.948 -3.472 1.00 0.00 N ATOM 781 CA PRO A 54 -8.629 1.946 -3.187 1.00 0.00 C ATOM 782 C PRO A 54 -8.221 2.889 -2.044 1.00 0.00 C ATOM 783 O PRO A 54 -7.146 2.694 -1.477 1.00 0.00 O ATOM 784 CB PRO A 54 -7.998 2.323 -4.526 1.00 0.00 C ATOM 785 CG PRO A 54 -8.976 3.359 -5.076 1.00 0.00 C ATOM 786 CD PRO A 54 -10.327 2.783 -4.642 1.00 0.00 C ATOM 0 HA PRO A 54 -8.290 0.978 -2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.998 2.737 -4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.906 1.462 -5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.801 4.349 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.902 3.455 -6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.029 3.580 -4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.775 2.197 -5.444 1.00 0.00 H new ATOM 794 N GLU A 55 -9.045 3.878 -1.665 1.00 0.00 N ATOM 795 CA GLU A 55 -8.645 4.866 -0.653 1.00 0.00 C ATOM 796 C GLU A 55 -8.351 4.237 0.716 1.00 0.00 C ATOM 797 O GLU A 55 -7.466 4.711 1.414 1.00 0.00 O ATOM 798 CB GLU A 55 -9.697 5.981 -0.506 1.00 0.00 C ATOM 799 CG GLU A 55 -9.530 7.113 -1.532 1.00 0.00 C ATOM 800 CD GLU A 55 -8.252 7.931 -1.311 1.00 0.00 C ATOM 801 OE1 GLU A 55 -8.066 8.496 -0.208 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.416 8.005 -2.234 1.00 0.00 O ATOM 0 H GLU A 55 -9.984 4.014 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.715 5.302 -1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.692 5.548 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.636 6.399 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.515 6.688 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.394 7.776 -1.479 1.00 0.00 H new ATOM 809 N SER A 56 -9.011 3.153 1.124 1.00 0.00 N ATOM 810 CA SER A 56 -8.787 2.548 2.441 1.00 0.00 C ATOM 811 C SER A 56 -7.428 1.844 2.566 1.00 0.00 C ATOM 812 O SER A 56 -6.885 1.732 3.668 1.00 0.00 O ATOM 813 CB SER A 56 -9.883 1.521 2.729 1.00 0.00 C ATOM 814 OG SER A 56 -11.088 1.780 2.021 1.00 0.00 O ATOM 0 H SER A 56 -9.710 2.672 0.558 1.00 0.00 H new ATOM 0 HA SER A 56 -8.805 3.368 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.520 0.527 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.092 1.511 3.799 1.00 0.00 H new ATOM 0 HG SER A 56 -11.751 1.093 2.241 1.00 0.00 H new ATOM 820 N LEU A 57 -6.880 1.341 1.453 1.00 0.00 N ATOM 821 CA LEU A 57 -5.537 0.767 1.433 1.00 0.00 C ATOM 822 C LEU A 57 -4.491 1.878 1.391 1.00 0.00 C ATOM 823 O LEU A 57 -3.572 1.866 2.204 1.00 0.00 O ATOM 824 CB LEU A 57 -5.372 -0.172 0.237 1.00 0.00 C ATOM 825 CG LEU A 57 -6.388 -1.322 0.082 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.964 -2.168 -1.123 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.507 -2.223 1.317 1.00 0.00 C ATOM 0 H LEU A 57 -7.354 1.322 0.550 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.392 0.187 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.407 0.431 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.375 -0.610 0.290 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.371 -0.871 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.667 -2.990 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.958 -1.548 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.965 -2.569 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.241 -3.006 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.539 -2.677 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.825 -1.627 2.173 1.00 0.00 H new ATOM 839 N ARG A 58 -4.666 2.884 0.523 1.00 0.00 N ATOM 840 CA ARG A 58 -3.871 4.110 0.535 1.00 0.00 C ATOM 841 C ARG A 58 -3.767 4.658 1.965 1.00 0.00 C ATOM 842 O ARG A 58 -2.671 4.897 2.456 1.00 0.00 O ATOM 843 CB ARG A 58 -4.558 5.113 -0.395 1.00 0.00 C ATOM 844 CG ARG A 58 -3.857 6.469 -0.434 1.00 0.00 C ATOM 845 CD ARG A 58 -4.819 7.562 -0.879 1.00 0.00 C ATOM 846 NE ARG A 58 -4.289 8.878 -0.525 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.741 10.052 -0.916 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.802 10.193 -1.682 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.095 11.099 -0.467 1.00 0.00 N ATOM 0 H ARG A 58 -5.372 2.865 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.855 3.920 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.594 4.700 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.589 5.253 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.460 6.707 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.008 6.425 -1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.975 7.503 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.791 7.415 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.478 8.888 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.314 9.370 -2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.112 11.125 -1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.291 10.977 0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.396 12.037 -0.733 1.00 0.00 H new ATOM 863 N LYS A 59 -4.895 4.782 2.668 1.00 0.00 N ATOM 864 CA LYS A 59 -4.962 5.209 4.068 1.00 0.00 C ATOM 865 C LYS A 59 -4.160 4.314 5.027 1.00 0.00 C ATOM 866 O LYS A 59 -3.462 4.850 5.885 1.00 0.00 O ATOM 867 CB LYS A 59 -6.437 5.326 4.492 1.00 0.00 C ATOM 868 CG LYS A 59 -6.936 6.780 4.443 1.00 0.00 C ATOM 869 CD LYS A 59 -6.780 7.411 3.056 1.00 0.00 C ATOM 870 CE LYS A 59 -7.058 8.910 3.055 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.504 9.499 1.820 1.00 0.00 N ATOM 0 H LYS A 59 -5.812 4.583 2.269 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.483 6.186 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.053 4.709 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.556 4.936 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.986 6.810 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.385 7.374 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.768 7.233 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.459 6.919 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.131 9.094 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.607 9.377 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.818 10.487 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.465 9.468 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.838 8.958 0.997 1.00 0.00 H new ATOM 885 N ALA A 60 -4.191 2.986 4.866 1.00 0.00 N ATOM 886 CA ALA A 60 -3.327 2.089 5.638 1.00 0.00 C ATOM 887 C ALA A 60 -1.831 2.352 5.374 1.00 0.00 C ATOM 888 O ALA A 60 -1.018 2.252 6.288 1.00 0.00 O ATOM 889 CB ALA A 60 -3.733 0.646 5.326 1.00 0.00 C ATOM 0 H ALA A 60 -4.806 2.509 4.207 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.463 2.278 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.102 -0.040 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.775 0.493 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.611 0.456 4.260 1.00 0.00 H new ATOM 895 N ILE A 61 -1.468 2.753 4.149 1.00 0.00 N ATOM 896 CA ILE A 61 -0.105 3.184 3.812 1.00 0.00 C ATOM 897 C ILE A 61 0.206 4.545 4.457 1.00 0.00 C ATOM 898 O ILE A 61 1.163 4.653 5.220 1.00 0.00 O ATOM 899 CB ILE A 61 0.138 3.161 2.274 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.148 1.784 1.642 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.578 3.567 1.948 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.089 1.671 0.136 1.00 0.00 C ATOM 0 H ILE A 61 -2.114 2.788 3.360 1.00 0.00 H new ATOM 0 HA ILE A 61 0.602 2.469 4.232 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.563 3.878 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.473 1.041 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.186 1.522 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.727 3.544 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.765 4.575 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.269 2.871 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.145 0.659 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.552 2.381 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.133 1.892 -0.086 1.00 0.00 H new ATOM 914 N GLU A 62 -0.619 5.572 4.227 1.00 0.00 N ATOM 915 CA GLU A 62 -0.444 6.919 4.782 1.00 0.00 C ATOM 916 C GLU A 62 -0.331 6.914 6.313 1.00 0.00 C ATOM 917 O GLU A 62 0.279 7.819 6.869 1.00 0.00 O ATOM 918 CB GLU A 62 -1.591 7.862 4.349 1.00 0.00 C ATOM 919 CG GLU A 62 -1.572 8.164 2.846 1.00 0.00 C ATOM 920 CD GLU A 62 -2.695 9.040 2.277 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.891 8.805 2.556 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.405 9.862 1.379 1.00 0.00 O ATOM 0 H GLU A 62 -1.446 5.488 3.636 1.00 0.00 H new ATOM 0 HA GLU A 62 0.497 7.291 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.547 7.410 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.517 8.797 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.622 8.645 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.587 7.213 2.313 1.00 0.00 H new ATOM 929 N ALA A 63 -0.846 5.886 6.998 1.00 0.00 N ATOM 930 CA ALA A 63 -0.811 5.764 8.455 1.00 0.00 C ATOM 931 C ALA A 63 0.471 5.136 9.030 1.00 0.00 C ATOM 932 O ALA A 63 0.539 4.954 10.245 1.00 0.00 O ATOM 933 CB ALA A 63 -2.069 4.997 8.889 1.00 0.00 C ATOM 0 H ALA A 63 -1.308 5.100 6.542 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.799 6.772 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.073 4.889 9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.957 5.547 8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.071 4.010 8.426 1.00 0.00 H new ATOM 939 N VAL A 64 1.474 4.834 8.194 1.00 0.00 N ATOM 940 CA VAL A 64 2.742 4.210 8.624 1.00 0.00 C ATOM 941 C VAL A 64 3.853 5.249 8.789 1.00 0.00 C ATOM 942 O VAL A 64 4.576 5.214 9.780 1.00 0.00 O ATOM 943 CB VAL A 64 3.142 2.994 7.756 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.893 3.223 6.468 1.00 0.00 C ATOM 945 CG2 VAL A 64 4.014 2.042 8.585 1.00 0.00 C ATOM 0 H VAL A 64 1.432 5.016 7.191 1.00 0.00 H new ATOM 0 HA VAL A 64 2.574 3.790 9.616 1.00 0.00 H new ATOM 0 HB VAL A 64 2.167 2.610 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.092 2.265 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.294 3.845 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.837 3.725 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.297 1.184 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.912 2.565 8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.453 1.700 9.455 1.00 0.00 H new ATOM 955 N SER A 65 3.927 6.242 7.892 1.00 0.00 N ATOM 956 CA SER A 65 4.761 7.427 8.119 1.00 0.00 C ATOM 957 C SER A 65 4.064 8.726 7.651 1.00 0.00 C ATOM 958 O SER A 65 4.515 9.362 6.693 1.00 0.00 O ATOM 959 CB SER A 65 6.180 7.277 7.551 1.00 0.00 C ATOM 960 OG SER A 65 6.727 5.970 7.498 1.00 0.00 O ATOM 0 H SER A 65 3.421 6.247 7.006 1.00 0.00 H new ATOM 0 HA SER A 65 4.885 7.513 9.198 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.183 7.685 6.540 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.849 7.898 8.147 1.00 0.00 H new ATOM 0 HG SER A 65 7.702 6.020 7.580 1.00 0.00 H new ATOM 966 N PRO A 66 2.938 9.113 8.287 1.00 0.00 N ATOM 967 CA PRO A 66 2.083 10.217 7.851 1.00 0.00 C ATOM 968 C PRO A 66 2.813 11.555 7.702 1.00 0.00 C ATOM 969 O PRO A 66 3.713 11.883 8.472 1.00 0.00 O ATOM 970 CB PRO A 66 0.926 10.299 8.861 1.00 0.00 C ATOM 971 CG PRO A 66 1.357 9.408 10.027 1.00 0.00 C ATOM 972 CD PRO A 66 2.287 8.396 9.369 1.00 0.00 C ATOM 0 HA PRO A 66 1.720 10.015 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.760 11.325 9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.008 9.949 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.868 9.979 10.802 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.503 8.922 10.499 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.018 8.013 10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.730 7.538 8.992 1.00 0.00 H new ATOM 980 N GLY A 67 2.413 12.324 6.683 1.00 0.00 N ATOM 981 CA GLY A 67 3.019 13.605 6.293 1.00 0.00 C ATOM 982 C GLY A 67 4.209 13.424 5.352 1.00 0.00 C ATOM 983 O GLY A 67 4.306 14.122 4.346 1.00 0.00 O ATOM 0 H GLY A 67 1.630 12.063 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.267 14.227 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.344 14.137 7.187 1.00 0.00 H new ATOM 987 N LEU A 68 5.077 12.453 5.650 1.00 0.00 N ATOM 988 CA LEU A 68 6.177 12.022 4.782 1.00 0.00 C ATOM 989 C LEU A 68 5.649 11.132 3.644 1.00 0.00 C ATOM 990 O LEU A 68 6.056 11.251 2.491 1.00 0.00 O ATOM 991 CB LEU A 68 7.209 11.338 5.700 1.00 0.00 C ATOM 992 CG LEU A 68 8.389 10.623 5.021 1.00 0.00 C ATOM 993 CD1 LEU A 68 9.110 11.478 3.980 1.00 0.00 C ATOM 994 CD2 LEU A 68 9.404 10.243 6.104 1.00 0.00 C ATOM 0 H LEU A 68 5.033 11.931 6.525 1.00 0.00 H new ATOM 0 HA LEU A 68 6.661 12.854 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.614 12.093 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.682 10.610 6.317 1.00 0.00 H new ATOM 0 HG LEU A 68 7.980 9.757 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.930 10.907 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.409 11.763 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.506 12.375 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.252 9.734 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.752 11.144 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.931 9.581 6.829 1.00 0.00 H new ATOM 1006 N TYR A 69 4.687 10.263 3.949 1.00 0.00 N ATOM 1007 CA TYR A 69 4.026 9.405 2.972 1.00 0.00 C ATOM 1008 C TYR A 69 3.074 10.183 2.035 1.00 0.00 C ATOM 1009 O TYR A 69 1.867 10.297 2.274 1.00 0.00 O ATOM 1010 CB TYR A 69 3.355 8.228 3.707 1.00 0.00 C ATOM 1011 CG TYR A 69 4.266 7.030 3.945 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.643 7.156 4.228 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.729 5.742 3.808 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.444 6.011 4.400 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.533 4.601 3.870 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.894 4.729 4.199 1.00 0.00 C ATOM 1017 OH TYR A 69 6.642 3.611 4.359 1.00 0.00 O ATOM 0 H TYR A 69 4.340 10.134 4.900 1.00 0.00 H new ATOM 0 HA TYR A 69 4.775 8.994 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.982 8.582 4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.490 7.902 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.085 8.138 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.667 5.629 3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.480 6.115 4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.112 3.627 3.667 1.00 0.00 H new ATOM 0 HH TYR A 69 7.535 3.858 4.679 1.00 0.00 H new ATOM 1027 N ARG A 70 3.610 10.663 0.905 1.00 0.00 N ATOM 1028 CA ARG A 70 2.857 11.233 -0.213 1.00 0.00 C ATOM 1029 C ARG A 70 2.169 10.110 -1.016 1.00 0.00 C ATOM 1030 O ARG A 70 2.680 9.691 -2.050 1.00 0.00 O ATOM 1031 CB ARG A 70 3.846 12.027 -1.065 1.00 0.00 C ATOM 1032 CG ARG A 70 3.221 13.246 -1.756 1.00 0.00 C ATOM 1033 CD ARG A 70 4.069 13.513 -2.981 1.00 0.00 C ATOM 1034 NE ARG A 70 3.723 14.715 -3.749 1.00 0.00 N ATOM 1035 CZ ARG A 70 4.217 15.002 -4.951 1.00 0.00 C ATOM 1036 NH1 ARG A 70 5.033 14.202 -5.614 1.00 0.00 N ATOM 1037 NH2 ARG A 70 3.886 16.143 -5.517 1.00 0.00 N ATOM 0 H ARG A 70 4.617 10.664 0.741 1.00 0.00 H new ATOM 0 HA ARG A 70 2.064 11.895 0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.670 12.360 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.271 11.368 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.186 13.048 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.213 14.110 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.110 13.592 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.999 12.650 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 70 3.062 15.372 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.316 13.311 -5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.380 14.476 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.261 16.789 -5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.254 16.381 -6.438 1.00 0.00 H new ATOM 1051 N VAL A 71 1.077 9.543 -0.515 1.00 0.00 N ATOM 1052 CA VAL A 71 0.502 8.319 -1.116 1.00 0.00 C ATOM 1053 C VAL A 71 -0.560 8.647 -2.164 1.00 0.00 C ATOM 1054 O VAL A 71 -1.478 9.428 -1.922 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.060 7.276 -0.135 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.265 5.896 -0.795 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.920 7.054 1.021 1.00 0.00 C ATOM 0 H VAL A 71 0.569 9.897 0.295 1.00 0.00 H new ATOM 0 HA VAL A 71 1.370 7.849 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.017 7.672 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.663 5.197 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.967 5.990 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.690 5.526 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.510 6.314 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.872 6.697 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.076 7.994 1.551 1.00 0.00 H new ATOM 1067 N SER A 72 -0.474 7.982 -3.312 1.00 0.00 N ATOM 1068 CA SER A 72 -1.524 7.987 -4.334 1.00 0.00 C ATOM 1069 C SER A 72 -1.518 6.698 -5.137 1.00 0.00 C ATOM 1070 O SER A 72 -0.546 5.952 -5.194 1.00 0.00 O ATOM 1071 CB SER A 72 -1.358 9.192 -5.280 1.00 0.00 C ATOM 1072 OG SER A 72 -2.405 9.290 -6.243 1.00 0.00 O ATOM 0 H SER A 72 0.336 7.416 -3.565 1.00 0.00 H new ATOM 0 HA SER A 72 -2.481 8.068 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.326 10.108 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.402 9.112 -5.797 1.00 0.00 H new ATOM 0 HG SER A 72 -2.271 8.616 -6.942 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.656 6.437 -5.757 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.810 5.434 -6.792 1.00 0.00 C ATOM 1080 C ILE A 73 -2.137 6.027 -8.027 1.00 0.00 C ATOM 1081 O ILE A 73 -2.360 7.201 -8.342 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.309 5.111 -6.963 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.978 4.640 -5.647 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.484 3.969 -7.983 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -5.322 5.648 -4.542 1.00 0.00 C ATOM 0 H ILE A 73 -3.522 6.933 -5.547 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.343 4.475 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.781 6.036 -7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.904 4.134 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.323 3.889 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.544 3.745 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.069 4.273 -8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.962 3.080 -7.627 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.783 5.126 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.411 6.143 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.017 6.392 -4.932 1.00 0.00 H new ATOM 1097 N THR A 74 -1.262 5.250 -8.670 1.00 0.00 N ATOM 1098 CA THR A 74 -0.692 5.569 -9.976 1.00 0.00 C ATOM 1099 C THR A 74 -1.270 4.598 -10.994 1.00 0.00 C ATOM 1100 O THR A 74 -1.193 3.384 -10.852 1.00 0.00 O ATOM 1101 CB THR A 74 0.839 5.599 -9.918 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.329 5.945 -11.191 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.514 4.297 -9.484 1.00 0.00 C ATOM 0 H THR A 74 -0.925 4.366 -8.288 1.00 0.00 H new ATOM 0 HA THR A 74 -0.967 6.575 -10.292 1.00 0.00 H new ATOM 0 HB THR A 74 1.084 6.330 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.308 5.970 -11.169 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.596 4.432 -9.478 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.177 4.028 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.251 3.501 -10.181 1.00 0.00 H new