USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 Single : A 1 THR N :NH3+ 139:sc= 0.675 (180deg=0.269) USER MOD Single : A 1 THR OG1 : rot -150:sc= -0.929 USER MOD Single : A 2 THR OG1 : rot 174:sc= -0.496! USER MOD Single : A 6 SER OG : rot 180:sc= 0.267 USER MOD Single : A 11 SER OG : rot 63:sc= 1.28 USER MOD Single : A 12 ASN : amide:sc= -1.05 X(o=-1,f=-0.74) USER MOD Single : A 14 ASN : amide:sc= -2.25! K(o=-2.3!,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 125:sc= -0.035 USER MOD Single : A 28 THR OG1 : rot 65:sc= 1.19 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.295 -3.758 7.852 1.00 0.00 N ATOM 2 CA THR A 1 -2.006 -3.720 7.132 1.00 0.00 C ATOM 3 C THR A 1 -2.216 -3.326 5.676 1.00 0.00 C ATOM 4 O THR A 1 -3.165 -3.780 5.035 1.00 0.00 O ATOM 5 CB THR A 1 -1.304 -5.087 7.210 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.118 -5.448 8.584 1.00 0.00 O ATOM 7 CG2 THR A 1 0.042 -5.053 6.496 1.00 0.00 C ATOM 0 H1 THR A 1 -3.316 -4.584 8.484 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.405 -2.890 8.414 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.074 -3.827 7.166 1.00 0.00 H new ATOM 0 HA THR A 1 -1.373 -2.972 7.609 1.00 0.00 H new ATOM 0 HB THR A 1 -1.931 -5.829 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 1 -0.315 -6.003 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.516 -6.032 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.109 -4.798 5.447 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.683 -4.305 6.963 1.00 0.00 H new ATOM 17 N THR A 2 -1.350 -2.469 5.167 1.00 0.00 N ATOM 18 CA THR A 2 -1.415 -2.056 3.782 1.00 0.00 C ATOM 19 C THR A 2 -0.439 -2.875 2.939 1.00 0.00 C ATOM 20 O THR A 2 0.779 -2.766 3.089 1.00 0.00 O ATOM 21 CB THR A 2 -1.103 -0.555 3.644 1.00 0.00 C ATOM 22 OG1 THR A 2 -1.953 0.195 4.525 1.00 0.00 O ATOM 23 CG2 THR A 2 -1.314 -0.089 2.214 1.00 0.00 C ATOM 0 H THR A 2 -0.590 -2.045 5.698 1.00 0.00 H new ATOM 0 HA THR A 2 -2.428 -2.232 3.421 1.00 0.00 H new ATOM 0 HB THR A 2 -0.059 -0.392 3.910 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.686 1.138 4.513 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.087 0.975 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.655 -0.647 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.351 -0.260 1.925 1.00 0.00 H new ATOM 31 N CYS A 3 -0.989 -3.700 2.065 1.00 0.00 N ATOM 32 CA CYS A 3 -0.198 -4.598 1.235 1.00 0.00 C ATOM 33 C CYS A 3 -0.159 -4.085 -0.203 1.00 0.00 C ATOM 34 O CYS A 3 -1.122 -3.487 -0.685 1.00 0.00 O ATOM 35 CB CYS A 3 -0.794 -6.010 1.276 1.00 0.00 C ATOM 36 SG CYS A 3 -0.815 -6.767 2.935 1.00 0.00 S ATOM 0 H CYS A 3 -1.995 -3.768 1.909 1.00 0.00 H new ATOM 0 HA CYS A 3 0.820 -4.633 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.814 -5.973 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.225 -6.652 0.604 1.00 0.00 H new ATOM 41 N CYS A 4 0.953 -4.312 -0.882 1.00 0.00 N ATOM 42 CA CYS A 4 1.112 -3.853 -2.249 1.00 0.00 C ATOM 43 C CYS A 4 1.757 -4.954 -3.087 1.00 0.00 C ATOM 44 O CYS A 4 2.625 -5.674 -2.601 1.00 0.00 O ATOM 45 CB CYS A 4 1.954 -2.576 -2.274 1.00 0.00 C ATOM 46 SG CYS A 4 1.582 -1.470 -3.672 1.00 0.00 S ATOM 0 H CYS A 4 1.759 -4.812 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 4 0.135 -3.624 -2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.798 -2.032 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.009 -2.849 -2.311 1.00 0.00 H new ATOM 51 N PRO A 5 1.331 -5.118 -4.350 1.00 0.00 N ATOM 52 CA PRO A 5 1.743 -6.249 -5.186 1.00 0.00 C ATOM 53 C PRO A 5 3.144 -6.125 -5.803 1.00 0.00 C ATOM 54 O PRO A 5 3.453 -6.851 -6.748 1.00 0.00 O ATOM 55 CB PRO A 5 0.684 -6.278 -6.308 1.00 0.00 C ATOM 56 CG PRO A 5 -0.310 -5.209 -5.974 1.00 0.00 C ATOM 57 CD PRO A 5 0.398 -4.244 -5.069 1.00 0.00 C ATOM 0 HA PRO A 5 1.803 -7.153 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.142 -6.094 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.202 -7.254 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.662 -4.709 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.186 -5.632 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.918 -3.467 -5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.292 -3.741 -4.392 1.00 0.00 H new ATOM 65 N SER A 6 3.998 -5.235 -5.294 1.00 0.00 N ATOM 66 CA SER A 6 5.346 -5.125 -5.826 1.00 0.00 C ATOM 67 C SER A 6 6.199 -4.229 -4.948 1.00 0.00 C ATOM 68 O SER A 6 5.696 -3.303 -4.313 1.00 0.00 O ATOM 69 CB SER A 6 5.324 -4.581 -7.260 1.00 0.00 C ATOM 70 OG SER A 6 4.755 -3.285 -7.311 1.00 0.00 O ATOM 0 H SER A 6 3.782 -4.595 -4.530 1.00 0.00 H new ATOM 0 HA SER A 6 5.782 -6.124 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.339 -4.550 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.754 -5.256 -7.898 1.00 0.00 H new ATOM 0 HG SER A 6 4.756 -2.964 -8.237 1.00 0.00 H new ATOM 76 N ILE A 7 7.495 -4.505 -4.940 1.00 0.00 N ATOM 77 CA ILE A 7 8.450 -3.722 -4.169 1.00 0.00 C ATOM 78 C ILE A 7 8.494 -2.305 -4.722 1.00 0.00 C ATOM 79 O ILE A 7 8.664 -1.327 -3.993 1.00 0.00 O ATOM 80 CB ILE A 7 9.876 -4.336 -4.220 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.919 -5.714 -3.553 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.891 -3.416 -3.553 1.00 0.00 C ATOM 83 CD1 ILE A 7 9.282 -6.833 -4.351 1.00 0.00 C ATOM 0 H ILE A 7 7.913 -5.274 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 7 8.123 -3.720 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 7 10.136 -4.451 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.959 -5.974 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.420 -5.648 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.881 -3.870 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.906 -2.456 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.614 -3.264 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.363 -7.768 -3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.231 -6.604 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.794 -6.934 -5.308 1.00 0.00 H new ATOM 95 N VAL A 8 8.309 -2.211 -6.025 1.00 0.00 N ATOM 96 CA VAL A 8 8.317 -0.931 -6.716 1.00 0.00 C ATOM 97 C VAL A 8 7.141 -0.062 -6.262 1.00 0.00 C ATOM 98 O VAL A 8 7.326 1.087 -5.861 1.00 0.00 O ATOM 99 CB VAL A 8 8.259 -1.119 -8.249 1.00 0.00 C ATOM 100 CG1 VAL A 8 8.371 0.216 -8.972 1.00 0.00 C ATOM 101 CG2 VAL A 8 9.353 -2.071 -8.709 1.00 0.00 C ATOM 0 H VAL A 8 8.150 -3.014 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 8 9.252 -0.431 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 8 7.291 -1.554 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.327 0.052 -10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.548 0.864 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.318 0.690 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.298 -2.193 -9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.327 -1.664 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.218 -3.040 -8.228 1.00 0.00 H new ATOM 111 N ALA A 9 5.938 -0.631 -6.296 1.00 0.00 N ATOM 112 CA ALA A 9 4.734 0.108 -5.927 1.00 0.00 C ATOM 113 C ALA A 9 4.671 0.354 -4.423 1.00 0.00 C ATOM 114 O ALA A 9 4.182 1.393 -3.976 1.00 0.00 O ATOM 115 CB ALA A 9 3.485 -0.628 -6.387 1.00 0.00 C ATOM 0 H ALA A 9 5.772 -1.598 -6.574 1.00 0.00 H new ATOM 0 HA ALA A 9 4.778 1.074 -6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.601 -0.058 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.508 -0.742 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.450 -1.612 -5.919 1.00 0.00 H new ATOM 121 N ARG A 10 5.173 -0.597 -3.640 1.00 0.00 N ATOM 122 CA ARG A 10 5.158 -0.468 -2.190 1.00 0.00 C ATOM 123 C ARG A 10 6.110 0.653 -1.755 1.00 0.00 C ATOM 124 O ARG A 10 5.945 1.262 -0.697 1.00 0.00 O ATOM 125 CB ARG A 10 5.523 -1.806 -1.531 1.00 0.00 C ATOM 126 CG ARG A 10 7.005 -2.119 -1.526 1.00 0.00 C ATOM 127 CD ARG A 10 7.545 -2.234 -0.113 1.00 0.00 C ATOM 128 NE ARG A 10 6.896 -3.303 0.643 1.00 0.00 N ATOM 129 CZ ARG A 10 6.941 -3.401 1.969 1.00 0.00 C ATOM 130 NH1 ARG A 10 7.622 -2.513 2.681 1.00 0.00 N ATOM 131 NH2 ARG A 10 6.332 -4.407 2.578 1.00 0.00 N ATOM 0 H ARG A 10 5.593 -1.460 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 10 4.153 -0.203 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.162 -1.801 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.997 -2.608 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.183 -3.052 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.545 -1.337 -2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.619 -2.419 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.402 -1.286 0.406 1.00 0.00 H new ATOM 0 HE ARG A 10 6.380 -4.014 0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.113 -1.752 2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.654 -2.591 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.829 -5.105 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.366 -4.483 3.595 1.00 0.00 H new ATOM 145 N SER A 11 7.105 0.922 -2.594 1.00 0.00 N ATOM 146 CA SER A 11 7.990 2.065 -2.406 1.00 0.00 C ATOM 147 C SER A 11 7.215 3.364 -2.622 1.00 0.00 C ATOM 148 O SER A 11 7.286 4.277 -1.801 1.00 0.00 O ATOM 149 CB SER A 11 9.190 1.984 -3.358 1.00 0.00 C ATOM 150 OG SER A 11 9.972 0.828 -3.095 1.00 0.00 O ATOM 0 H SER A 11 7.319 0.359 -3.417 1.00 0.00 H new ATOM 0 HA SER A 11 8.371 2.050 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.839 1.963 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.806 2.877 -3.249 1.00 0.00 H new ATOM 0 HG SER A 11 9.433 0.025 -3.255 1.00 0.00 H new ATOM 156 N ASN A 12 6.451 3.426 -3.710 1.00 0.00 N ATOM 157 CA ASN A 12 5.600 4.583 -3.995 1.00 0.00 C ATOM 158 C ASN A 12 4.670 4.846 -2.815 1.00 0.00 C ATOM 159 O ASN A 12 4.427 5.992 -2.438 1.00 0.00 O ATOM 160 CB ASN A 12 4.761 4.350 -5.257 1.00 0.00 C ATOM 161 CG ASN A 12 5.591 3.981 -6.470 1.00 0.00 C ATOM 162 OD1 ASN A 12 6.758 4.350 -6.580 1.00 0.00 O ATOM 163 ND2 ASN A 12 4.983 3.253 -7.393 1.00 0.00 N ATOM 0 H ASN A 12 6.403 2.687 -4.412 1.00 0.00 H new ATOM 0 HA ASN A 12 6.246 5.446 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.040 3.556 -5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.190 5.252 -5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.485 2.976 -8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.012 2.968 -7.261 1.00 0.00 H new ATOM 170 N PHE A 13 4.169 3.755 -2.241 1.00 0.00 N ATOM 171 CA PHE A 13 3.290 3.792 -1.078 1.00 0.00 C ATOM 172 C PHE A 13 3.891 4.605 0.073 1.00 0.00 C ATOM 173 O PHE A 13 3.286 5.574 0.539 1.00 0.00 O ATOM 174 CB PHE A 13 2.993 2.348 -0.640 1.00 0.00 C ATOM 175 CG PHE A 13 2.651 2.168 0.817 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.400 2.503 1.306 1.00 0.00 C ATOM 177 CD2 PHE A 13 3.593 1.649 1.694 1.00 0.00 C ATOM 178 CE1 PHE A 13 1.099 2.328 2.644 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.294 1.473 3.031 1.00 0.00 C ATOM 180 CZ PHE A 13 2.046 1.812 3.504 1.00 0.00 C ATOM 0 H PHE A 13 4.365 2.811 -2.575 1.00 0.00 H new ATOM 0 HA PHE A 13 2.362 4.294 -1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.165 1.968 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.862 1.731 -0.870 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.653 2.904 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.572 1.379 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.121 2.596 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.037 1.071 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.809 1.674 4.548 1.00 0.00 H new ATOM 190 N ASN A 14 5.087 4.229 0.516 1.00 0.00 N ATOM 191 CA ASN A 14 5.694 4.861 1.684 1.00 0.00 C ATOM 192 C ASN A 14 6.219 6.252 1.348 1.00 0.00 C ATOM 193 O ASN A 14 6.202 7.146 2.196 1.00 0.00 O ATOM 194 CB ASN A 14 6.811 3.987 2.284 1.00 0.00 C ATOM 195 CG ASN A 14 8.060 3.892 1.425 1.00 0.00 C ATOM 196 OD1 ASN A 14 8.907 4.785 1.434 1.00 0.00 O ATOM 197 ND2 ASN A 14 8.209 2.782 0.721 1.00 0.00 N ATOM 0 H ASN A 14 5.652 3.495 0.088 1.00 0.00 H new ATOM 0 HA ASN A 14 4.913 4.966 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.085 4.388 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.421 2.983 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.049 2.643 0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.484 2.065 0.740 1.00 0.00 H new ATOM 204 N VAL A 15 6.655 6.441 0.109 1.00 0.00 N ATOM 205 CA VAL A 15 7.162 7.737 -0.331 1.00 0.00 C ATOM 206 C VAL A 15 6.035 8.758 -0.446 1.00 0.00 C ATOM 207 O VAL A 15 6.239 9.949 -0.212 1.00 0.00 O ATOM 208 CB VAL A 15 7.916 7.630 -1.677 1.00 0.00 C ATOM 209 CG1 VAL A 15 8.359 9.004 -2.176 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.115 6.709 -1.524 1.00 0.00 C ATOM 0 H VAL A 15 6.668 5.716 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 15 7.867 8.076 0.428 1.00 0.00 H new ATOM 0 HB VAL A 15 7.235 7.213 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.886 8.894 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.484 9.639 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.023 9.461 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.642 6.637 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.787 7.110 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.776 5.718 -1.221 1.00 0.00 H new ATOM 220 N CYS A 16 4.837 8.296 -0.771 1.00 0.00 N ATOM 221 CA CYS A 16 3.716 9.198 -0.940 1.00 0.00 C ATOM 222 C CYS A 16 3.208 9.696 0.411 1.00 0.00 C ATOM 223 O CYS A 16 2.601 10.758 0.494 1.00 0.00 O ATOM 224 CB CYS A 16 2.599 8.501 -1.712 1.00 0.00 C ATOM 225 SG CYS A 16 1.083 9.489 -1.899 1.00 0.00 S ATOM 0 H CYS A 16 4.620 7.311 -0.921 1.00 0.00 H new ATOM 0 HA CYS A 16 4.051 10.065 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.969 8.236 -2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.350 7.569 -1.204 1.00 0.00 H new ATOM 230 N ARG A 17 3.482 8.944 1.473 1.00 0.00 N ATOM 231 CA ARG A 17 3.032 9.318 2.810 1.00 0.00 C ATOM 232 C ARG A 17 3.914 10.412 3.402 1.00 0.00 C ATOM 233 O ARG A 17 3.492 11.138 4.303 1.00 0.00 O ATOM 234 CB ARG A 17 3.042 8.116 3.753 1.00 0.00 C ATOM 235 CG ARG A 17 2.220 6.936 3.271 1.00 0.00 C ATOM 236 CD ARG A 17 2.163 5.832 4.317 1.00 0.00 C ATOM 237 NE ARG A 17 3.496 5.374 4.727 1.00 0.00 N ATOM 238 CZ ARG A 17 3.718 4.581 5.784 1.00 0.00 C ATOM 239 NH1 ARG A 17 2.701 4.066 6.465 1.00 0.00 N ATOM 240 NH2 ARG A 17 4.969 4.285 6.138 1.00 0.00 N ATOM 0 H ARG A 17 4.012 8.074 1.434 1.00 0.00 H new ATOM 0 HA ARG A 17 2.012 9.690 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.072 7.791 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.668 8.431 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.209 7.268 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.650 6.544 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.622 6.193 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.599 4.988 3.919 1.00 0.00 H new ATOM 0 HE ARG A 17 4.299 5.677 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.742 4.273 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.878 3.463 7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.753 4.662 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.142 3.682 6.942 1.00 0.00 H new ATOM 254 N LEU A 18 5.139 10.521 2.887 1.00 0.00 N ATOM 255 CA LEU A 18 6.122 11.450 3.389 1.00 0.00 C ATOM 256 C LEU A 18 5.611 12.906 3.427 1.00 0.00 C ATOM 257 O LEU A 18 5.726 13.558 4.464 1.00 0.00 O ATOM 258 CB LEU A 18 7.382 11.327 2.539 1.00 0.00 C ATOM 259 CG LEU A 18 8.128 9.994 2.666 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.372 9.988 1.794 1.00 0.00 C ATOM 261 CD2 LEU A 18 8.507 9.727 4.113 1.00 0.00 C ATOM 0 H LEU A 18 5.469 9.957 2.103 1.00 0.00 H new ATOM 0 HA LEU A 18 6.341 11.193 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.112 11.475 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.064 12.134 2.809 1.00 0.00 H new ATOM 0 HG LEU A 18 7.460 9.202 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.886 9.033 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.087 10.133 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.037 10.794 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.035 8.776 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.153 10.528 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.605 9.685 4.724 1.00 0.00 H new ATOM 273 N PRO A 19 5.039 13.444 2.321 1.00 0.00 N ATOM 274 CA PRO A 19 4.520 14.822 2.300 1.00 0.00 C ATOM 275 C PRO A 19 3.229 14.990 3.107 1.00 0.00 C ATOM 276 O PRO A 19 2.635 16.067 3.121 1.00 0.00 O ATOM 277 CB PRO A 19 4.261 15.089 0.815 1.00 0.00 C ATOM 278 CG PRO A 19 4.033 13.746 0.216 1.00 0.00 C ATOM 279 CD PRO A 19 4.874 12.784 1.009 1.00 0.00 C ATOM 0 HA PRO A 19 5.224 15.517 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.395 15.736 0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.110 15.589 0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.979 13.472 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.317 13.736 -0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.384 11.815 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.836 12.606 0.529 1.00 0.00 H new ATOM 287 N GLY A 20 2.809 13.931 3.790 1.00 0.00 N ATOM 288 CA GLY A 20 1.620 14.012 4.617 1.00 0.00 C ATOM 289 C GLY A 20 0.373 13.523 3.908 1.00 0.00 C ATOM 290 O GLY A 20 -0.734 13.963 4.216 1.00 0.00 O ATOM 0 H GLY A 20 3.269 13.021 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.772 13.423 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.472 15.045 4.931 1.00 0.00 H new ATOM 294 N THR A 21 0.546 12.610 2.967 1.00 0.00 N ATOM 295 CA THR A 21 -0.561 12.065 2.228 1.00 0.00 C ATOM 296 C THR A 21 -0.970 10.758 2.865 1.00 0.00 C ATOM 297 O THR A 21 -0.123 9.925 3.197 1.00 0.00 O ATOM 298 CB THR A 21 -0.194 11.790 0.759 1.00 0.00 C ATOM 299 OG1 THR A 21 0.793 12.729 0.316 1.00 0.00 O ATOM 300 CG2 THR A 21 -1.415 11.879 -0.154 1.00 0.00 C ATOM 0 H THR A 21 1.456 12.233 2.701 1.00 0.00 H new ATOM 0 HA THR A 21 -1.370 12.795 2.249 1.00 0.00 H new ATOM 0 HB THR A 21 0.202 10.776 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.570 12.246 -0.036 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.115 11.679 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.157 11.144 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.846 12.878 -0.089 1.00 0.00 H new ATOM 308 N PRO A 22 -2.260 10.583 3.065 1.00 0.00 N ATOM 309 CA PRO A 22 -2.811 9.351 3.580 1.00 0.00 C ATOM 310 C PRO A 22 -2.515 8.217 2.622 1.00 0.00 C ATOM 311 O PRO A 22 -2.806 8.305 1.429 1.00 0.00 O ATOM 312 CB PRO A 22 -4.318 9.622 3.670 1.00 0.00 C ATOM 313 CG PRO A 22 -4.557 10.802 2.789 1.00 0.00 C ATOM 314 CD PRO A 22 -3.277 11.583 2.781 1.00 0.00 C ATOM 0 HA PRO A 22 -2.391 9.061 4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.894 8.759 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.620 9.829 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.827 10.487 1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.381 11.408 3.165 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.108 12.064 1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.284 12.371 3.534 1.00 0.00 H new ATOM 322 N GLU A 23 -1.883 7.181 3.136 1.00 0.00 N ATOM 323 CA GLU A 23 -1.617 5.979 2.357 1.00 0.00 C ATOM 324 C GLU A 23 -2.894 5.430 1.735 1.00 0.00 C ATOM 325 O GLU A 23 -2.842 4.679 0.770 1.00 0.00 O ATOM 326 CB GLU A 23 -0.954 4.918 3.220 1.00 0.00 C ATOM 327 CG GLU A 23 -1.686 4.627 4.515 1.00 0.00 C ATOM 328 CD GLU A 23 -0.885 3.716 5.416 1.00 0.00 C ATOM 329 OE1 GLU A 23 0.052 4.213 6.077 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.181 2.506 5.457 1.00 0.00 O ATOM 0 H GLU A 23 -1.540 7.144 4.096 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.937 6.251 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.874 3.995 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.062 5.237 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.893 5.563 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.648 4.166 4.294 1.00 0.00 H new ATOM 337 N ALA A 24 -4.033 5.813 2.284 1.00 0.00 N ATOM 338 CA ALA A 24 -5.307 5.464 1.688 1.00 0.00 C ATOM 339 C ALA A 24 -5.437 6.134 0.319 1.00 0.00 C ATOM 340 O ALA A 24 -5.785 5.483 -0.671 1.00 0.00 O ATOM 341 CB ALA A 24 -6.454 5.858 2.607 1.00 0.00 C ATOM 0 H ALA A 24 -4.100 6.364 3.139 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.353 4.384 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.402 5.588 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.354 5.335 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.428 6.934 2.780 1.00 0.00 H new ATOM 347 N LEU A 25 -5.120 7.432 0.257 1.00 0.00 N ATOM 348 CA LEU A 25 -5.127 8.160 -1.001 1.00 0.00 C ATOM 349 C LEU A 25 -4.073 7.588 -1.953 1.00 0.00 C ATOM 350 O LEU A 25 -4.341 7.370 -3.135 1.00 0.00 O ATOM 351 CB LEU A 25 -4.857 9.647 -0.735 1.00 0.00 C ATOM 352 CG LEU A 25 -5.569 10.637 -1.661 1.00 0.00 C ATOM 353 CD1 LEU A 25 -5.398 12.052 -1.137 1.00 0.00 C ATOM 354 CD2 LEU A 25 -5.043 10.536 -3.086 1.00 0.00 C ATOM 0 H LEU A 25 -4.857 7.993 1.067 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.105 8.054 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.146 9.870 0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.783 9.819 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.629 10.386 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.907 12.750 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.827 12.124 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.337 12.299 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.568 11.251 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.976 10.757 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.208 9.527 -3.464 1.00 0.00 H new ATOM 366 N CYS A 26 -2.882 7.321 -1.427 1.00 0.00 N ATOM 367 CA CYS A 26 -1.785 6.820 -2.245 1.00 0.00 C ATOM 368 C CYS A 26 -2.054 5.389 -2.721 1.00 0.00 C ATOM 369 O CYS A 26 -1.649 5.012 -3.818 1.00 0.00 O ATOM 370 CB CYS A 26 -0.455 6.921 -1.481 1.00 0.00 C ATOM 371 SG CYS A 26 -0.220 8.537 -0.676 1.00 0.00 S ATOM 0 H CYS A 26 -2.653 7.443 -0.441 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.710 7.445 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.415 6.136 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.369 6.742 -2.171 1.00 0.00 H new ATOM 376 N ALA A 27 -2.779 4.610 -1.918 1.00 0.00 N ATOM 377 CA ALA A 27 -3.159 3.252 -2.308 1.00 0.00 C ATOM 378 C ALA A 27 -4.101 3.289 -3.492 1.00 0.00 C ATOM 379 O ALA A 27 -4.082 2.420 -4.361 1.00 0.00 O ATOM 380 CB ALA A 27 -3.790 2.508 -1.140 1.00 0.00 C ATOM 0 H ALA A 27 -3.114 4.894 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.257 2.714 -2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.064 1.501 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.077 2.449 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.682 3.040 -0.809 1.00 0.00 H new ATOM 386 N THR A 28 -4.869 4.345 -3.534 1.00 0.00 N ATOM 387 CA THR A 28 -5.852 4.564 -4.584 1.00 0.00 C ATOM 388 C THR A 28 -5.170 4.981 -5.887 1.00 0.00 C ATOM 389 O THR A 28 -5.729 4.845 -6.974 1.00 0.00 O ATOM 390 CB THR A 28 -6.852 5.655 -4.154 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.413 5.325 -2.876 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.982 5.825 -5.165 1.00 0.00 C ATOM 0 H THR A 28 -4.836 5.090 -2.838 1.00 0.00 H new ATOM 0 HA THR A 28 -6.385 3.628 -4.751 1.00 0.00 H new ATOM 0 HB THR A 28 -6.303 6.595 -4.097 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.709 5.344 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.663 6.604 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.566 6.107 -6.132 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.526 4.886 -5.264 1.00 0.00 H new ATOM 400 N TYR A 29 -3.951 5.476 -5.770 1.00 0.00 N ATOM 401 CA TYR A 29 -3.218 5.980 -6.895 1.00 0.00 C ATOM 402 C TYR A 29 -2.256 4.930 -7.406 1.00 0.00 C ATOM 403 O TYR A 29 -2.236 4.587 -8.584 1.00 0.00 O ATOM 404 CB TYR A 29 -2.445 7.199 -6.433 1.00 0.00 C ATOM 405 CG TYR A 29 -3.181 8.509 -6.580 1.00 0.00 C ATOM 406 CD1 TYR A 29 -4.571 8.570 -6.575 1.00 0.00 C ATOM 407 CD2 TYR A 29 -2.472 9.690 -6.721 1.00 0.00 C ATOM 408 CE1 TYR A 29 -5.227 9.779 -6.706 1.00 0.00 C ATOM 409 CE2 TYR A 29 -3.118 10.901 -6.849 1.00 0.00 C ATOM 410 CZ TYR A 29 -4.497 10.942 -6.841 1.00 0.00 C ATOM 411 OH TYR A 29 -5.148 12.146 -6.963 1.00 0.00 O ATOM 0 H TYR A 29 -3.448 5.536 -4.885 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.901 6.239 -7.704 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.176 7.065 -5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.514 7.256 -6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.144 7.661 -6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.392 9.662 -6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.306 9.813 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.548 11.812 -6.955 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.489 12.867 -7.048 1.00 0.00 H new ATOM 421 N THR A 30 -1.462 4.436 -6.481 1.00 0.00 N ATOM 422 CA THR A 30 -0.439 3.463 -6.764 1.00 0.00 C ATOM 423 C THR A 30 -1.026 2.091 -7.108 1.00 0.00 C ATOM 424 O THR A 30 -0.639 1.473 -8.101 1.00 0.00 O ATOM 425 CB THR A 30 0.497 3.358 -5.552 1.00 0.00 C ATOM 426 OG1 THR A 30 1.203 4.593 -5.381 1.00 0.00 O ATOM 427 CG2 THR A 30 1.473 2.222 -5.717 1.00 0.00 C ATOM 0 H THR A 30 -1.513 4.705 -5.498 1.00 0.00 H new ATOM 0 HA THR A 30 0.118 3.795 -7.640 1.00 0.00 H new ATOM 0 HB THR A 30 -0.106 3.158 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.799 4.525 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.123 2.171 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.926 1.284 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.076 2.387 -6.610 1.00 0.00 H new ATOM 435 N GLY A 31 -1.972 1.621 -6.305 1.00 0.00 N ATOM 436 CA GLY A 31 -2.532 0.303 -6.539 1.00 0.00 C ATOM 437 C GLY A 31 -2.375 -0.621 -5.347 1.00 0.00 C ATOM 438 O GLY A 31 -2.767 -1.784 -5.405 1.00 0.00 O ATOM 0 H GLY A 31 -2.358 2.122 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.590 0.400 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.047 -0.144 -7.406 1.00 0.00 H new ATOM 442 N CYS A 32 -1.780 -0.115 -4.274 1.00 0.00 N ATOM 443 CA CYS A 32 -1.679 -0.875 -3.038 1.00 0.00 C ATOM 444 C CYS A 32 -3.058 -0.964 -2.398 1.00 0.00 C ATOM 445 O CYS A 32 -3.942 -0.172 -2.726 1.00 0.00 O ATOM 446 CB CYS A 32 -0.699 -0.209 -2.067 1.00 0.00 C ATOM 447 SG CYS A 32 0.912 0.241 -2.801 1.00 0.00 S ATOM 0 H CYS A 32 -1.362 0.815 -4.236 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.306 -1.874 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.163 0.691 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.526 -0.882 -1.228 1.00 0.00 H new ATOM 452 N ILE A 33 -3.249 -1.909 -1.493 1.00 0.00 N ATOM 453 CA ILE A 33 -4.540 -2.062 -0.841 1.00 0.00 C ATOM 454 C ILE A 33 -4.385 -2.195 0.671 1.00 0.00 C ATOM 455 O ILE A 33 -3.452 -2.836 1.159 1.00 0.00 O ATOM 456 CB ILE A 33 -5.327 -3.283 -1.380 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.524 -4.578 -1.209 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.698 -3.084 -2.842 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.307 -5.825 -1.571 1.00 0.00 C ATOM 0 H ILE A 33 -2.536 -2.575 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.105 -1.158 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.244 -3.369 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.630 -4.527 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.190 -4.655 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.250 -3.954 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.319 -2.194 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.791 -2.962 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.679 -6.704 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.188 -5.900 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.619 -5.769 -2.614 1.00 0.00 H new ATOM 471 N ILE A 34 -5.295 -1.582 1.406 1.00 0.00 N ATOM 472 CA ILE A 34 -5.302 -1.677 2.858 1.00 0.00 C ATOM 473 C ILE A 34 -6.282 -2.755 3.300 1.00 0.00 C ATOM 474 O ILE A 34 -7.494 -2.614 3.123 1.00 0.00 O ATOM 475 CB ILE A 34 -5.691 -0.334 3.507 1.00 0.00 C ATOM 476 CG1 ILE A 34 -4.730 0.767 3.067 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.700 -0.447 5.023 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.138 2.148 3.528 1.00 0.00 C ATOM 0 H ILE A 34 -6.045 -1.009 1.019 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.294 -1.935 3.182 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.697 -0.077 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.735 0.544 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.659 0.763 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.977 0.513 5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.422 -1.205 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.707 -0.730 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.409 2.879 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.119 2.392 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.181 2.170 4.617 1.00 0.00 H new ATOM 490 N ILE A 35 -5.759 -3.833 3.863 1.00 0.00 N ATOM 491 CA ILE A 35 -6.591 -4.955 4.274 1.00 0.00 C ATOM 492 C ILE A 35 -6.755 -5.004 5.793 1.00 0.00 C ATOM 493 O ILE A 35 -5.851 -4.617 6.541 1.00 0.00 O ATOM 494 CB ILE A 35 -6.055 -6.308 3.728 1.00 0.00 C ATOM 495 CG1 ILE A 35 -4.532 -6.434 3.894 1.00 0.00 C ATOM 496 CG2 ILE A 35 -6.443 -6.477 2.264 1.00 0.00 C ATOM 497 CD1 ILE A 35 -4.092 -6.907 5.263 1.00 0.00 C ATOM 0 H ILE A 35 -4.763 -3.956 4.046 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.576 -4.794 3.836 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.514 -7.103 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.153 -7.127 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.075 -5.465 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.061 -7.429 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.529 -6.461 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.017 -5.663 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.004 -6.968 5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.438 -6.203 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.517 -7.891 5.462 1.00 0.00 H new ATOM 509 N PRO A 36 -7.923 -5.477 6.264 1.00 0.00 N ATOM 510 CA PRO A 36 -8.261 -5.520 7.693 1.00 0.00 C ATOM 511 C PRO A 36 -7.602 -6.688 8.428 1.00 0.00 C ATOM 512 O PRO A 36 -8.133 -7.189 9.423 1.00 0.00 O ATOM 513 CB PRO A 36 -9.776 -5.693 7.676 1.00 0.00 C ATOM 514 CG PRO A 36 -10.047 -6.466 6.435 1.00 0.00 C ATOM 515 CD PRO A 36 -9.025 -6.004 5.428 1.00 0.00 C ATOM 0 HA PRO A 36 -7.913 -4.632 8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.125 -6.226 8.560 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.286 -4.730 7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.960 -7.537 6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.060 -6.284 6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.689 -6.824 4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.430 -5.236 4.769 1.00 0.00 H new ATOM 523 N GLY A 37 -6.448 -7.107 7.941 1.00 0.00 N ATOM 524 CA GLY A 37 -5.712 -8.164 8.582 1.00 0.00 C ATOM 525 C GLY A 37 -4.258 -7.798 8.721 1.00 0.00 C ATOM 526 O GLY A 37 -3.916 -6.613 8.796 1.00 0.00 O ATOM 0 H GLY A 37 -6.006 -6.727 7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.137 -8.364 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.806 -9.082 8.002 1.00 0.00 H new ATOM 530 N ALA A 38 -3.408 -8.803 8.721 1.00 0.00 N ATOM 531 CA ALA A 38 -1.985 -8.585 8.900 1.00 0.00 C ATOM 532 C ALA A 38 -1.164 -9.623 8.141 1.00 0.00 C ATOM 533 O ALA A 38 -0.009 -9.870 8.477 1.00 0.00 O ATOM 534 CB ALA A 38 -1.641 -8.616 10.382 1.00 0.00 C ATOM 0 H ALA A 38 -3.676 -9.780 8.599 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.735 -7.605 8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.571 -8.452 10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.193 -7.832 10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.912 -9.586 10.798 1.00 0.00 H new ATOM 540 N THR A 39 -1.753 -10.235 7.121 1.00 0.00 N ATOM 541 CA THR A 39 -1.041 -11.246 6.351 1.00 0.00 C ATOM 542 C THR A 39 -1.192 -11.027 4.855 1.00 0.00 C ATOM 543 O THR A 39 -0.213 -11.048 4.113 1.00 0.00 O ATOM 544 CB THR A 39 -1.523 -12.662 6.727 1.00 0.00 C ATOM 545 OG1 THR A 39 -1.498 -12.819 8.152 1.00 0.00 O ATOM 546 CG2 THR A 39 -0.642 -13.722 6.090 1.00 0.00 C ATOM 0 H THR A 39 -2.708 -10.053 6.811 1.00 0.00 H new ATOM 0 HA THR A 39 0.016 -11.152 6.600 1.00 0.00 H new ATOM 0 HB THR A 39 -2.541 -12.786 6.357 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.806 -13.719 8.387 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.003 -14.712 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.674 -13.618 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.384 -13.598 6.436 1.00 0.00 H new ATOM 554 N CYS A 40 -2.426 -10.784 4.467 1.00 0.00 N ATOM 555 CA CYS A 40 -2.856 -10.648 3.062 1.00 0.00 C ATOM 556 C CYS A 40 -2.349 -11.797 2.155 1.00 0.00 C ATOM 557 O CYS A 40 -1.500 -12.599 2.541 1.00 0.00 O ATOM 558 CB CYS A 40 -2.496 -9.254 2.487 1.00 0.00 C ATOM 559 SG CYS A 40 -0.740 -8.764 2.558 1.00 0.00 S ATOM 0 H CYS A 40 -3.193 -10.669 5.129 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.943 -10.731 3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.816 -9.223 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.080 -8.505 3.022 1.00 0.00 H new ATOM 564 N PRO A 41 -2.928 -11.942 0.947 1.00 0.00 N ATOM 565 CA PRO A 41 -2.483 -12.955 -0.019 1.00 0.00 C ATOM 566 C PRO A 41 -1.066 -12.696 -0.535 1.00 0.00 C ATOM 567 O PRO A 41 -0.613 -11.549 -0.605 1.00 0.00 O ATOM 568 CB PRO A 41 -3.504 -12.850 -1.154 1.00 0.00 C ATOM 569 CG PRO A 41 -4.094 -11.490 -1.019 1.00 0.00 C ATOM 570 CD PRO A 41 -4.079 -11.174 0.447 1.00 0.00 C ATOM 0 HA PRO A 41 -2.436 -13.947 0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.028 -12.979 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.269 -13.622 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.516 -10.757 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.110 -11.465 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.959 -10.106 0.627 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.006 -11.477 0.933 1.00 0.00 H new ATOM 578 N GLY A 42 -0.387 -13.772 -0.925 1.00 0.00 N ATOM 579 CA GLY A 42 1.016 -13.692 -1.285 1.00 0.00 C ATOM 580 C GLY A 42 1.270 -13.062 -2.642 1.00 0.00 C ATOM 581 O GLY A 42 2.384 -13.141 -3.158 1.00 0.00 O ATOM 0 H GLY A 42 -0.790 -14.706 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.543 -13.117 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.440 -14.696 -1.277 1.00 0.00 H new ATOM 585 N ASP A 43 0.253 -12.442 -3.224 1.00 0.00 N ATOM 586 CA ASP A 43 0.413 -11.734 -4.480 1.00 0.00 C ATOM 587 C ASP A 43 0.380 -10.236 -4.204 1.00 0.00 C ATOM 588 O ASP A 43 0.740 -9.420 -5.051 1.00 0.00 O ATOM 589 CB ASP A 43 -0.678 -12.147 -5.484 1.00 0.00 C ATOM 590 CG ASP A 43 -2.074 -11.763 -5.039 1.00 0.00 C ATOM 591 OD1 ASP A 43 -2.374 -11.906 -3.835 1.00 0.00 O ATOM 592 OD2 ASP A 43 -2.870 -11.325 -5.894 1.00 0.00 O ATOM 0 H ASP A 43 -0.693 -12.417 -2.843 1.00 0.00 H new ATOM 0 HA ASP A 43 1.372 -11.993 -4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.470 -11.683 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.635 -13.226 -5.634 1.00 0.00 H new ATOM 597 N TYR A 44 -0.033 -9.892 -2.985 1.00 0.00 N ATOM 598 CA TYR A 44 -0.036 -8.510 -2.528 1.00 0.00 C ATOM 599 C TYR A 44 0.903 -8.363 -1.337 1.00 0.00 C ATOM 600 O TYR A 44 0.996 -7.300 -0.732 1.00 0.00 O ATOM 601 CB TYR A 44 -1.448 -8.077 -2.115 1.00 0.00 C ATOM 602 CG TYR A 44 -2.493 -8.254 -3.192 1.00 0.00 C ATOM 603 CD1 TYR A 44 -2.188 -8.028 -4.521 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.785 -8.644 -2.873 1.00 0.00 C ATOM 605 CE1 TYR A 44 -3.136 -8.188 -5.510 1.00 0.00 C ATOM 606 CE2 TYR A 44 -4.743 -8.807 -3.854 1.00 0.00 C ATOM 607 CZ TYR A 44 -4.413 -8.573 -5.170 1.00 0.00 C ATOM 608 OH TYR A 44 -5.360 -8.736 -6.154 1.00 0.00 O ATOM 0 H TYR A 44 -0.372 -10.561 -2.293 1.00 0.00 H new ATOM 0 HA TYR A 44 0.300 -7.875 -3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.748 -8.648 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.422 -7.028 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.188 -7.720 -4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.046 -8.823 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.878 -8.012 -6.544 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.744 -9.116 -3.591 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.209 -9.011 -5.749 1.00 0.00 H new ATOM 618 N ALA A 45 1.609 -9.439 -1.022 1.00 0.00 N ATOM 619 CA ALA A 45 2.424 -9.506 0.185 1.00 0.00 C ATOM 620 C ALA A 45 3.856 -9.042 -0.064 1.00 0.00 C ATOM 621 O ALA A 45 4.797 -9.566 0.535 1.00 0.00 O ATOM 622 CB ALA A 45 2.416 -10.926 0.727 1.00 0.00 C ATOM 0 H ALA A 45 1.634 -10.285 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 45 1.990 -8.829 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.026 -10.975 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.393 -11.219 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.823 -11.604 -0.023 1.00 0.00 H new ATOM 628 N ASN A 46 4.023 -8.054 -0.924 1.00 0.00 N ATOM 629 CA ASN A 46 5.347 -7.501 -1.168 1.00 0.00 C ATOM 630 C ASN A 46 5.501 -6.152 -0.473 1.00 0.00 C ATOM 631 O ASN A 46 5.528 -6.135 0.774 1.00 0.00 O ATOM 632 CB ASN A 46 5.637 -7.372 -2.669 1.00 0.00 C ATOM 633 CG ASN A 46 5.863 -8.719 -3.334 1.00 0.00 C ATOM 634 OD1 ASN A 46 5.645 -8.882 -4.535 1.00 0.00 O ATOM 635 ND2 ASN A 46 6.300 -9.696 -2.551 1.00 0.00 N ATOM 636 OXT ASN A 46 5.619 -5.123 -1.164 1.00 0.00 O ATOM 0 H ASN A 46 3.271 -7.621 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 46 6.077 -8.194 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.803 -6.866 -3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.518 -6.746 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.468 -10.624 -2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.468 -9.519 -1.561 1.00 0.00 H new TER 643 ASN A 46