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+ 174:sc= 1.19 (180deg=1.13) USER MOD Single : A 1 THR OG1 : rot 111:sc= 1.24 USER MOD Single : A 2 THR OG1 : rot -74:sc= 1.32 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 11 SER OG : rot 72:sc= 0.523 USER MOD Single : A 12 ASN : amide:sc= -0.0997 K(o=-0.1,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0.444 X(o=0.44,f=-0.0081) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -82:sc= 1.26 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= -0.285 K(o=-0.29,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -4.986 -3.907 7.831 1.00 0.00 N ATOM 2 CA THR A 1 -3.719 -4.375 7.228 1.00 0.00 C ATOM 3 C THR A 1 -3.663 -3.986 5.758 1.00 0.00 C ATOM 4 O THR A 1 -4.616 -4.214 5.015 1.00 0.00 O ATOM 5 CB THR A 1 -3.581 -5.902 7.351 1.00 0.00 C ATOM 6 OG1 THR A 1 -3.857 -6.307 8.697 1.00 0.00 O ATOM 7 CG2 THR A 1 -2.183 -6.357 6.966 1.00 0.00 C ATOM 0 H1 THR A 1 -5.060 -4.265 8.805 1.00 0.00 H new ATOM 0 H2 THR A 1 -5.002 -2.867 7.842 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.788 -4.260 7.271 1.00 0.00 H new ATOM 0 HA THR A 1 -2.898 -3.902 7.766 1.00 0.00 H new ATOM 0 HB THR A 1 -4.297 -6.363 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 1 -4.703 -6.800 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 1 -2.114 -7.441 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 1 -1.978 -6.070 5.934 1.00 0.00 H new ATOM 0 HG23 THR A 1 -1.453 -5.887 7.625 1.00 0.00 H new ATOM 17 N THR A 2 -2.559 -3.393 5.340 1.00 0.00 N ATOM 18 CA THR A 2 -2.408 -2.987 3.958 1.00 0.00 C ATOM 19 C THR A 2 -1.566 -4.007 3.193 1.00 0.00 C ATOM 20 O THR A 2 -0.576 -4.538 3.709 1.00 0.00 O ATOM 21 CB THR A 2 -1.802 -1.568 3.842 1.00 0.00 C ATOM 22 OG1 THR A 2 -1.935 -1.078 2.503 1.00 0.00 O ATOM 23 CG2 THR A 2 -0.333 -1.544 4.251 1.00 0.00 C ATOM 0 H THR A 2 -1.758 -3.183 5.936 1.00 0.00 H new ATOM 0 HA THR A 2 -3.401 -2.950 3.510 1.00 0.00 H new ATOM 0 HB THR A 2 -2.354 -0.923 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.291 -1.534 1.922 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.055 -0.530 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.238 -1.873 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.236 -2.212 3.604 1.00 0.00 H new ATOM 31 N CYS A 3 -1.982 -4.289 1.975 1.00 0.00 N ATOM 32 CA CYS A 3 -1.343 -5.305 1.153 1.00 0.00 C ATOM 33 C CYS A 3 -0.973 -4.713 -0.202 1.00 0.00 C ATOM 34 O CYS A 3 -1.839 -4.469 -1.045 1.00 0.00 O ATOM 35 CB CYS A 3 -2.290 -6.494 0.979 1.00 0.00 C ATOM 36 SG CYS A 3 -3.174 -6.963 2.507 1.00 0.00 S ATOM 0 H CYS A 3 -2.770 -3.824 1.525 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.432 -5.651 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.021 -6.254 0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.719 -7.352 0.623 1.00 0.00 H new ATOM 41 N CYS A 4 0.308 -4.453 -0.400 1.00 0.00 N ATOM 42 CA CYS A 4 0.760 -3.743 -1.588 1.00 0.00 C ATOM 43 C CYS A 4 1.261 -4.695 -2.681 1.00 0.00 C ATOM 44 O CYS A 4 1.779 -5.773 -2.387 1.00 0.00 O ATOM 45 CB CYS A 4 1.852 -2.743 -1.207 1.00 0.00 C ATOM 46 SG CYS A 4 1.321 -1.467 -0.012 1.00 0.00 S ATOM 0 H CYS A 4 1.053 -4.721 0.243 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.096 -3.210 -2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.697 -3.288 -0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.209 -2.251 -2.112 1.00 0.00 H new ATOM 51 N PRO A 5 1.082 -4.290 -3.960 1.00 0.00 N ATOM 52 CA PRO A 5 1.516 -5.052 -5.147 1.00 0.00 C ATOM 53 C PRO A 5 2.907 -5.663 -5.035 1.00 0.00 C ATOM 54 O PRO A 5 3.067 -6.880 -5.036 1.00 0.00 O ATOM 55 CB PRO A 5 1.517 -3.982 -6.232 1.00 0.00 C ATOM 56 CG PRO A 5 0.392 -3.091 -5.856 1.00 0.00 C ATOM 57 CD PRO A 5 0.400 -3.040 -4.351 1.00 0.00 C ATOM 0 HA PRO A 5 0.866 -5.909 -5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.463 -3.441 -6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.370 -4.416 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.521 -2.096 -6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.556 -3.478 -6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.932 -2.162 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.611 -2.993 -3.947 1.00 0.00 H new ATOM 65 N SER A 6 3.902 -4.802 -4.994 1.00 0.00 N ATOM 66 CA SER A 6 5.282 -5.217 -4.831 1.00 0.00 C ATOM 67 C SER A 6 5.854 -4.578 -3.569 1.00 0.00 C ATOM 68 O SER A 6 5.248 -3.655 -3.017 1.00 0.00 O ATOM 69 CB SER A 6 6.087 -4.797 -6.066 1.00 0.00 C ATOM 70 OG SER A 6 7.438 -5.219 -5.987 1.00 0.00 O ATOM 0 H SER A 6 3.778 -3.793 -5.073 1.00 0.00 H new ATOM 0 HA SER A 6 5.339 -6.301 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.627 -5.219 -6.960 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.051 -3.713 -6.171 1.00 0.00 H new ATOM 0 HG SER A 6 7.917 -4.934 -6.793 1.00 0.00 H new ATOM 76 N ILE A 7 7.001 -5.071 -3.110 1.00 0.00 N ATOM 77 CA ILE A 7 7.684 -4.480 -1.962 1.00 0.00 C ATOM 78 C ILE A 7 7.907 -2.987 -2.195 1.00 0.00 C ATOM 79 O ILE A 7 7.680 -2.166 -1.306 1.00 0.00 O ATOM 80 CB ILE A 7 9.046 -5.163 -1.691 1.00 0.00 C ATOM 81 CG1 ILE A 7 8.843 -6.588 -1.170 1.00 0.00 C ATOM 82 CG2 ILE A 7 9.878 -4.351 -0.706 1.00 0.00 C ATOM 83 CD1 ILE A 7 8.144 -6.653 0.173 1.00 0.00 C ATOM 0 H ILE A 7 7.477 -5.877 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 7 7.047 -4.630 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 7 9.589 -5.213 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.262 -7.153 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.814 -7.077 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.830 -4.853 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.061 -3.358 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.339 -4.260 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.036 -7.694 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.734 -6.117 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.159 -6.194 0.093 1.00 0.00 H new ATOM 95 N VAL A 8 8.309 -2.651 -3.416 1.00 0.00 N ATOM 96 CA VAL A 8 8.577 -1.267 -3.795 1.00 0.00 C ATOM 97 C VAL A 8 7.338 -0.398 -3.585 1.00 0.00 C ATOM 98 O VAL A 8 7.438 0.743 -3.137 1.00 0.00 O ATOM 99 CB VAL A 8 9.024 -1.173 -5.270 1.00 0.00 C ATOM 100 CG1 VAL A 8 9.403 0.253 -5.634 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.186 -2.117 -5.538 1.00 0.00 C ATOM 0 H VAL A 8 8.458 -3.325 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 8 9.383 -0.903 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 8 8.183 -1.471 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.714 0.292 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.543 0.907 -5.487 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.224 0.585 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.487 -2.036 -6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.026 -1.851 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.879 -3.141 -5.327 1.00 0.00 H new ATOM 111 N ALA A 9 6.170 -0.959 -3.881 1.00 0.00 N ATOM 112 CA ALA A 9 4.911 -0.242 -3.724 1.00 0.00 C ATOM 113 C ALA A 9 4.643 0.055 -2.255 1.00 0.00 C ATOM 114 O ALA A 9 4.120 1.114 -1.913 1.00 0.00 O ATOM 115 CB ALA A 9 3.758 -1.039 -4.321 1.00 0.00 C ATOM 0 H ALA A 9 6.070 -1.911 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 9 4.990 0.704 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.828 -0.485 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.940 -1.202 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.680 -2.001 -3.815 1.00 0.00 H new ATOM 121 N ARG A 10 5.022 -0.874 -1.387 1.00 0.00 N ATOM 122 CA ARG A 10 4.824 -0.697 0.044 1.00 0.00 C ATOM 123 C ARG A 10 5.839 0.305 0.584 1.00 0.00 C ATOM 124 O ARG A 10 5.535 1.096 1.478 1.00 0.00 O ATOM 125 CB ARG A 10 4.937 -2.035 0.778 1.00 0.00 C ATOM 126 CG ARG A 10 4.349 -2.014 2.179 1.00 0.00 C ATOM 127 CD ARG A 10 4.355 -3.401 2.797 1.00 0.00 C ATOM 128 NE ARG A 10 3.662 -3.437 4.085 1.00 0.00 N ATOM 129 CZ ARG A 10 3.695 -4.475 4.919 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.290 -5.604 4.555 1.00 0.00 N ATOM 131 NH2 ARG A 10 3.088 -4.408 6.097 1.00 0.00 N ATOM 0 H ARG A 10 5.466 -1.754 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 10 3.820 -0.308 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.432 -2.804 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.988 -2.319 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.921 -1.331 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.328 -1.634 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.881 -4.104 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.385 -3.732 2.931 1.00 0.00 H new ATOM 0 HE ARG A 10 3.121 -2.618 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.723 -5.678 3.635 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.314 -6.397 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.593 -3.558 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.117 -5.206 6.732 1.00 0.00 H new ATOM 145 N SER A 11 7.041 0.280 0.018 1.00 0.00 N ATOM 146 CA SER A 11 8.048 1.279 0.332 1.00 0.00 C ATOM 147 C SER A 11 7.546 2.661 -0.083 1.00 0.00 C ATOM 148 O SER A 11 7.627 3.621 0.685 1.00 0.00 O ATOM 149 CB SER A 11 9.356 0.953 -0.390 1.00 0.00 C ATOM 150 OG SER A 11 9.730 -0.400 -0.192 1.00 0.00 O ATOM 0 H SER A 11 7.338 -0.422 -0.660 1.00 0.00 H new ATOM 0 HA SER A 11 8.234 1.275 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.244 1.149 -1.456 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.148 1.608 -0.027 1.00 0.00 H new ATOM 0 HG SER A 11 9.128 -0.983 -0.700 1.00 0.00 H new ATOM 156 N ASN A 12 6.992 2.742 -1.291 1.00 0.00 N ATOM 157 CA ASN A 12 6.435 3.990 -1.807 1.00 0.00 C ATOM 158 C ASN A 12 5.264 4.457 -0.956 1.00 0.00 C ATOM 159 O ASN A 12 5.049 5.652 -0.792 1.00 0.00 O ATOM 160 CB ASN A 12 5.991 3.828 -3.263 1.00 0.00 C ATOM 161 CG ASN A 12 7.165 3.669 -4.210 1.00 0.00 C ATOM 162 OD1 ASN A 12 8.258 4.180 -3.956 1.00 0.00 O ATOM 163 ND2 ASN A 12 6.950 2.974 -5.316 1.00 0.00 N ATOM 0 H ASN A 12 6.917 1.953 -1.934 1.00 0.00 H new ATOM 0 HA ASN A 12 7.220 4.745 -1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.339 2.958 -3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.403 4.697 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.703 2.846 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.032 2.566 -5.492 1.00 0.00 H new ATOM 170 N PHE A 13 4.521 3.505 -0.406 1.00 0.00 N ATOM 171 CA PHE A 13 3.418 3.812 0.499 1.00 0.00 C ATOM 172 C PHE A 13 3.928 4.602 1.708 1.00 0.00 C ATOM 173 O PHE A 13 3.225 5.449 2.258 1.00 0.00 O ATOM 174 CB PHE A 13 2.736 2.511 0.943 1.00 0.00 C ATOM 175 CG PHE A 13 1.597 2.700 1.907 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.540 3.542 1.604 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.588 2.029 3.120 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.505 3.713 2.493 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.547 2.196 4.012 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.501 3.038 3.699 1.00 0.00 C ATOM 0 H PHE A 13 4.662 2.508 -0.571 1.00 0.00 H new ATOM 0 HA PHE A 13 2.686 4.428 -0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.365 1.991 0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.482 1.864 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.532 4.071 0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.405 1.368 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.323 4.373 2.245 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.553 1.668 4.954 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.316 3.169 4.395 1.00 0.00 H new ATOM 190 N ASN A 14 5.164 4.333 2.103 1.00 0.00 N ATOM 191 CA ASN A 14 5.789 5.064 3.197 1.00 0.00 C ATOM 192 C ASN A 14 6.389 6.374 2.699 1.00 0.00 C ATOM 193 O ASN A 14 6.207 7.420 3.317 1.00 0.00 O ATOM 194 CB ASN A 14 6.871 4.219 3.877 1.00 0.00 C ATOM 195 CG ASN A 14 6.296 3.117 4.741 1.00 0.00 C ATOM 196 OD1 ASN A 14 6.011 3.326 5.920 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.122 1.936 4.172 1.00 0.00 N ATOM 0 H ASN A 14 5.754 3.615 1.683 1.00 0.00 H new ATOM 0 HA ASN A 14 5.014 5.288 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.515 3.779 3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.499 4.865 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.740 1.160 4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.370 1.801 3.192 1.00 0.00 H new ATOM 204 N VAL A 15 7.085 6.310 1.567 1.00 0.00 N ATOM 205 CA VAL A 15 7.726 7.488 0.985 1.00 0.00 C ATOM 206 C VAL A 15 6.694 8.550 0.603 1.00 0.00 C ATOM 207 O VAL A 15 6.947 9.744 0.722 1.00 0.00 O ATOM 208 CB VAL A 15 8.563 7.115 -0.260 1.00 0.00 C ATOM 209 CG1 VAL A 15 9.212 8.346 -0.878 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.622 6.083 0.097 1.00 0.00 C ATOM 0 H VAL A 15 7.220 5.452 1.032 1.00 0.00 H new ATOM 0 HA VAL A 15 8.389 7.897 1.747 1.00 0.00 H new ATOM 0 HB VAL A 15 7.887 6.683 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.794 8.051 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.439 9.053 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.869 8.817 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.201 5.833 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.286 6.491 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.139 5.184 0.480 1.00 0.00 H new ATOM 220 N CYS A 16 5.527 8.105 0.160 1.00 0.00 N ATOM 221 CA CYS A 16 4.445 9.011 -0.207 1.00 0.00 C ATOM 222 C CYS A 16 3.926 9.771 1.014 1.00 0.00 C ATOM 223 O CYS A 16 3.505 10.923 0.909 1.00 0.00 O ATOM 224 CB CYS A 16 3.310 8.222 -0.864 1.00 0.00 C ATOM 225 SG CYS A 16 1.821 9.203 -1.226 1.00 0.00 S ATOM 0 H CYS A 16 5.303 7.116 0.045 1.00 0.00 H new ATOM 0 HA CYS A 16 4.832 9.742 -0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.678 7.786 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.034 7.394 -0.211 1.00 0.00 H new ATOM 230 N ARG A 17 3.990 9.132 2.178 1.00 0.00 N ATOM 231 CA ARG A 17 3.505 9.740 3.413 1.00 0.00 C ATOM 232 C ARG A 17 4.618 10.512 4.110 1.00 0.00 C ATOM 233 O ARG A 17 4.427 11.048 5.202 1.00 0.00 O ATOM 234 CB ARG A 17 2.940 8.675 4.353 1.00 0.00 C ATOM 235 CG ARG A 17 1.646 8.057 3.856 1.00 0.00 C ATOM 236 CD ARG A 17 1.175 6.950 4.780 1.00 0.00 C ATOM 237 NE ARG A 17 2.098 5.814 4.788 1.00 0.00 N ATOM 238 CZ ARG A 17 2.140 4.893 5.755 1.00 0.00 C ATOM 239 NH1 ARG A 17 1.331 4.989 6.803 1.00 0.00 N ATOM 240 NH2 ARG A 17 2.996 3.881 5.673 1.00 0.00 N ATOM 0 H ARG A 17 4.373 8.193 2.292 1.00 0.00 H new ATOM 0 HA ARG A 17 2.708 10.437 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.682 7.888 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.768 9.120 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.877 8.826 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.793 7.658 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.073 7.341 5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.187 6.612 4.467 1.00 0.00 H new ATOM 0 HE ARG A 17 2.749 5.720 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.675 5.767 6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.365 4.284 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.622 3.806 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.027 3.178 6.412 1.00 0.00 H new ATOM 254 N LEU A 18 5.782 10.556 3.477 1.00 0.00 N ATOM 255 CA LEU A 18 6.905 11.322 3.997 1.00 0.00 C ATOM 256 C LEU A 18 6.617 12.827 3.898 1.00 0.00 C ATOM 257 O LEU A 18 6.813 13.556 4.870 1.00 0.00 O ATOM 258 CB LEU A 18 8.192 10.953 3.252 1.00 0.00 C ATOM 259 CG LEU A 18 9.479 11.545 3.824 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.742 11.003 5.223 1.00 0.00 C ATOM 261 CD2 LEU A 18 10.652 11.247 2.899 1.00 0.00 C ATOM 0 H LEU A 18 5.973 10.069 2.601 1.00 0.00 H new ATOM 0 HA LEU A 18 7.043 11.075 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.286 9.867 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.095 11.274 2.215 1.00 0.00 H new ATOM 0 HG LEU A 18 9.363 12.626 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.663 11.436 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.911 11.266 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.841 9.918 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.563 11.674 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.770 10.168 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.463 11.685 1.919 1.00 0.00 H new ATOM 273 N PRO A 19 6.170 13.328 2.721 1.00 0.00 N ATOM 274 CA PRO A 19 5.661 14.692 2.607 1.00 0.00 C ATOM 275 C PRO A 19 4.205 14.783 3.068 1.00 0.00 C ATOM 276 O PRO A 19 3.697 13.873 3.728 1.00 0.00 O ATOM 277 CB PRO A 19 5.778 14.982 1.112 1.00 0.00 C ATOM 278 CG PRO A 19 5.588 13.659 0.461 1.00 0.00 C ATOM 279 CD PRO A 19 6.162 12.638 1.410 1.00 0.00 C ATOM 0 HA PRO A 19 6.207 15.402 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.023 15.697 0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.750 15.410 0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.532 13.466 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.095 13.623 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.553 11.734 1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.166 12.337 1.112 1.00 0.00 H new ATOM 287 N GLY A 20 3.530 15.862 2.703 1.00 0.00 N ATOM 288 CA GLY A 20 2.157 16.057 3.131 1.00 0.00 C ATOM 289 C GLY A 20 1.152 15.362 2.229 1.00 0.00 C ATOM 290 O GLY A 20 0.450 16.017 1.455 1.00 0.00 O ATOM 0 H GLY A 20 3.907 16.608 2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.043 15.684 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.938 17.124 3.156 1.00 0.00 H new ATOM 294 N THR A 21 1.082 14.040 2.324 1.00 0.00 N ATOM 295 CA THR A 21 0.133 13.266 1.536 1.00 0.00 C ATOM 296 C THR A 21 -0.601 12.260 2.427 1.00 0.00 C ATOM 297 O THR A 21 0.029 11.542 3.206 1.00 0.00 O ATOM 298 CB THR A 21 0.847 12.516 0.392 1.00 0.00 C ATOM 299 OG1 THR A 21 1.861 13.351 -0.185 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.141 12.102 -0.689 1.00 0.00 C ATOM 0 H THR A 21 1.672 13.481 2.940 1.00 0.00 H new ATOM 0 HA THR A 21 -0.588 13.960 1.103 1.00 0.00 H new ATOM 0 HB THR A 21 1.304 11.619 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.310 12.867 -0.909 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.388 11.575 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.897 11.445 -0.259 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.623 12.989 -1.100 1.00 0.00 H new ATOM 308 N PRO A 22 -1.944 12.220 2.342 1.00 0.00 N ATOM 309 CA PRO A 22 -2.778 11.323 3.158 1.00 0.00 C ATOM 310 C PRO A 22 -2.500 9.835 2.911 1.00 0.00 C ATOM 311 O PRO A 22 -2.149 9.425 1.801 1.00 0.00 O ATOM 312 CB PRO A 22 -4.210 11.668 2.732 1.00 0.00 C ATOM 313 CG PRO A 22 -4.116 13.007 2.087 1.00 0.00 C ATOM 314 CD PRO A 22 -2.758 13.061 1.451 1.00 0.00 C ATOM 0 HA PRO A 22 -2.579 11.468 4.220 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.604 10.924 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.881 11.691 3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.902 13.138 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.236 13.804 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.773 12.673 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.377 14.081 1.398 1.00 0.00 H new ATOM 322 N GLU A 23 -2.697 9.037 3.957 1.00 0.00 N ATOM 323 CA GLU A 23 -2.457 7.597 3.914 1.00 0.00 C ATOM 324 C GLU A 23 -3.321 6.919 2.857 1.00 0.00 C ATOM 325 O GLU A 23 -2.810 6.215 1.985 1.00 0.00 O ATOM 326 CB GLU A 23 -2.745 6.989 5.291 1.00 0.00 C ATOM 327 CG GLU A 23 -2.658 5.474 5.331 1.00 0.00 C ATOM 328 CD GLU A 23 -3.024 4.914 6.689 1.00 0.00 C ATOM 329 OE1 GLU A 23 -4.233 4.836 7.003 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.106 4.552 7.455 1.00 0.00 O ATOM 0 H GLU A 23 -3.029 9.372 4.862 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.413 7.433 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.040 7.402 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.742 7.293 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.322 5.054 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.646 5.163 5.073 1.00 0.00 H new ATOM 337 N ALA A 24 -4.629 7.151 2.933 1.00 0.00 N ATOM 338 CA ALA A 24 -5.578 6.526 2.019 1.00 0.00 C ATOM 339 C ALA A 24 -5.268 6.888 0.569 1.00 0.00 C ATOM 340 O ALA A 24 -5.423 6.062 -0.333 1.00 0.00 O ATOM 341 CB ALA A 24 -7.002 6.925 2.379 1.00 0.00 C ATOM 0 H ALA A 24 -5.056 7.770 3.622 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.483 5.445 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.699 6.451 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.224 6.603 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.105 8.008 2.311 1.00 0.00 H new ATOM 347 N LEU A 25 -4.822 8.119 0.357 1.00 0.00 N ATOM 348 CA LEU A 25 -4.442 8.579 -0.963 1.00 0.00 C ATOM 349 C LEU A 25 -3.254 7.769 -1.471 1.00 0.00 C ATOM 350 O LEU A 25 -3.307 7.195 -2.556 1.00 0.00 O ATOM 351 CB LEU A 25 -4.096 10.072 -0.906 1.00 0.00 C ATOM 352 CG LEU A 25 -4.395 10.866 -2.177 1.00 0.00 C ATOM 353 CD1 LEU A 25 -4.213 12.352 -1.931 1.00 0.00 C ATOM 354 CD2 LEU A 25 -3.511 10.416 -3.330 1.00 0.00 C ATOM 0 H LEU A 25 -4.716 8.818 1.092 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.274 8.439 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.645 10.523 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.035 10.173 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.433 10.676 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.430 12.902 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.893 12.676 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.185 12.547 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.748 11.000 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.464 10.566 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.686 9.359 -3.532 1.00 0.00 H new ATOM 366 N CYS A 26 -2.202 7.700 -0.662 1.00 0.00 N ATOM 367 CA CYS A 26 -0.980 6.992 -1.038 1.00 0.00 C ATOM 368 C CYS A 26 -1.250 5.521 -1.344 1.00 0.00 C ATOM 369 O CYS A 26 -0.718 4.979 -2.315 1.00 0.00 O ATOM 370 CB CYS A 26 0.061 7.115 0.073 1.00 0.00 C ATOM 371 SG CYS A 26 0.622 8.821 0.366 1.00 0.00 S ATOM 0 H CYS A 26 -2.170 8.128 0.263 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.596 7.454 -1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.358 6.716 0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.923 6.497 -0.179 1.00 0.00 H new ATOM 376 N ALA A 27 -2.078 4.881 -0.524 1.00 0.00 N ATOM 377 CA ALA A 27 -2.423 3.480 -0.730 1.00 0.00 C ATOM 378 C ALA A 27 -3.098 3.282 -2.082 1.00 0.00 C ATOM 379 O ALA A 27 -2.651 2.484 -2.905 1.00 0.00 O ATOM 380 CB ALA A 27 -3.330 2.987 0.388 1.00 0.00 C ATOM 0 H ALA A 27 -2.522 5.310 0.288 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.502 2.897 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.579 1.939 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.817 3.089 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.245 3.579 0.402 1.00 0.00 H new ATOM 386 N THR A 28 -4.159 4.040 -2.315 1.00 0.00 N ATOM 387 CA THR A 28 -4.919 3.942 -3.551 1.00 0.00 C ATOM 388 C THR A 28 -4.057 4.318 -4.760 1.00 0.00 C ATOM 389 O THR A 28 -4.153 3.705 -5.825 1.00 0.00 O ATOM 390 CB THR A 28 -6.156 4.855 -3.493 1.00 0.00 C ATOM 391 OG1 THR A 28 -6.818 4.692 -2.230 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.127 4.539 -4.622 1.00 0.00 C ATOM 0 H THR A 28 -4.515 4.735 -1.658 1.00 0.00 H new ATOM 0 HA THR A 28 -5.240 2.907 -3.663 1.00 0.00 H new ATOM 0 HB THR A 28 -5.823 5.887 -3.607 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.382 5.255 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.991 5.200 -4.555 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.631 4.687 -5.581 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.456 3.503 -4.540 1.00 0.00 H new ATOM 400 N TYR A 29 -3.193 5.311 -4.573 1.00 0.00 N ATOM 401 CA TYR A 29 -2.353 5.824 -5.647 1.00 0.00 C ATOM 402 C TYR A 29 -1.308 4.800 -6.081 1.00 0.00 C ATOM 403 O TYR A 29 -0.988 4.700 -7.263 1.00 0.00 O ATOM 404 CB TYR A 29 -1.671 7.118 -5.200 1.00 0.00 C ATOM 405 CG TYR A 29 -0.852 7.781 -6.281 1.00 0.00 C ATOM 406 CD1 TYR A 29 -1.469 8.483 -7.306 1.00 0.00 C ATOM 407 CD2 TYR A 29 0.534 7.715 -6.271 1.00 0.00 C ATOM 408 CE1 TYR A 29 -0.727 9.097 -8.294 1.00 0.00 C ATOM 409 CE2 TYR A 29 1.284 8.325 -7.258 1.00 0.00 C ATOM 410 CZ TYR A 29 0.648 9.016 -8.267 1.00 0.00 C ATOM 411 OH TYR A 29 1.386 9.638 -9.247 1.00 0.00 O ATOM 0 H TYR A 29 -3.057 5.780 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.992 6.028 -6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.432 7.817 -4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.025 6.902 -4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.547 8.550 -7.331 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.035 7.178 -5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.222 9.639 -9.086 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.362 8.261 -7.239 1.00 0.00 H new ATOM 0 HH TYR A 29 2.340 9.486 -9.084 1.00 0.00 H new ATOM 421 N THR A 30 -0.788 4.034 -5.134 1.00 0.00 N ATOM 422 CA THR A 30 0.251 3.056 -5.436 1.00 0.00 C ATOM 423 C THR A 30 -0.347 1.739 -5.929 1.00 0.00 C ATOM 424 O THR A 30 0.361 0.881 -6.464 1.00 0.00 O ATOM 425 CB THR A 30 1.138 2.783 -4.205 1.00 0.00 C ATOM 426 OG1 THR A 30 0.319 2.548 -3.052 1.00 0.00 O ATOM 427 CG2 THR A 30 2.075 3.952 -3.940 1.00 0.00 C ATOM 0 H THR A 30 -1.066 4.069 -4.153 1.00 0.00 H new ATOM 0 HA THR A 30 0.864 3.484 -6.229 1.00 0.00 H new ATOM 0 HB THR A 30 1.740 1.897 -4.409 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.043 3.406 -2.666 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.690 3.735 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.718 4.107 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.490 4.853 -3.757 1.00 0.00 H new ATOM 435 N GLY A 31 -1.654 1.589 -5.754 1.00 0.00 N ATOM 436 CA GLY A 31 -2.316 0.358 -6.128 1.00 0.00 C ATOM 437 C GLY A 31 -2.329 -0.625 -4.983 1.00 0.00 C ATOM 438 O GLY A 31 -2.526 -1.823 -5.178 1.00 0.00 O ATOM 0 H GLY A 31 -2.267 2.301 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.339 0.572 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.809 -0.085 -6.985 1.00 0.00 H new ATOM 442 N CYS A 32 -2.104 -0.114 -3.784 1.00 0.00 N ATOM 443 CA CYS A 32 -2.063 -0.940 -2.595 1.00 0.00 C ATOM 444 C CYS A 32 -3.442 -0.985 -1.955 1.00 0.00 C ATOM 445 O CYS A 32 -4.158 0.017 -1.928 1.00 0.00 O ATOM 446 CB CYS A 32 -1.025 -0.385 -1.618 1.00 0.00 C ATOM 447 SG CYS A 32 -0.707 -1.434 -0.162 1.00 0.00 S ATOM 0 H CYS A 32 -1.946 0.879 -3.611 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.775 -1.956 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.087 -0.236 -2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.356 0.596 -1.276 1.00 0.00 H new ATOM 452 N ILE A 33 -3.820 -2.145 -1.454 1.00 0.00 N ATOM 453 CA ILE A 33 -5.153 -2.326 -0.900 1.00 0.00 C ATOM 454 C ILE A 33 -5.105 -2.470 0.614 1.00 0.00 C ATOM 455 O ILE A 33 -4.246 -3.160 1.157 1.00 0.00 O ATOM 456 CB ILE A 33 -5.878 -3.548 -1.509 1.00 0.00 C ATOM 457 CG1 ILE A 33 -5.062 -4.831 -1.304 1.00 0.00 C ATOM 458 CG2 ILE A 33 -6.152 -3.316 -2.988 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.769 -6.083 -1.776 1.00 0.00 C ATOM 0 H ILE A 33 -3.228 -2.975 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.717 -1.430 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.830 -3.672 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.115 -4.737 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.825 -4.935 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.663 -4.184 -3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.781 -2.434 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.209 -3.164 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.132 -6.949 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.703 -6.202 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.982 -6.001 -2.842 1.00 0.00 H new ATOM 471 N ILE A 34 -6.029 -1.807 1.288 1.00 0.00 N ATOM 472 CA ILE A 34 -6.123 -1.887 2.735 1.00 0.00 C ATOM 473 C ILE A 34 -7.315 -2.744 3.120 1.00 0.00 C ATOM 474 O ILE A 34 -8.456 -2.413 2.798 1.00 0.00 O ATOM 475 CB ILE A 34 -6.272 -0.492 3.380 1.00 0.00 C ATOM 476 CG1 ILE A 34 -5.079 0.391 3.011 1.00 0.00 C ATOM 477 CG2 ILE A 34 -6.409 -0.614 4.894 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.220 1.827 3.469 1.00 0.00 C ATOM 0 H ILE A 34 -6.728 -1.204 0.853 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.199 -2.333 3.103 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.178 -0.024 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.175 -0.033 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.947 0.375 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.513 0.379 5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.290 -1.210 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.522 -1.099 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.337 2.392 3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.105 2.270 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.320 1.855 4.554 1.00 0.00 H new ATOM 490 N ILE A 35 -7.050 -3.850 3.788 1.00 0.00 N ATOM 491 CA ILE A 35 -8.109 -4.755 4.190 1.00 0.00 C ATOM 492 C ILE A 35 -8.164 -4.898 5.708 1.00 0.00 C ATOM 493 O ILE A 35 -7.131 -5.038 6.373 1.00 0.00 O ATOM 494 CB ILE A 35 -7.955 -6.154 3.548 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.625 -6.800 3.953 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.064 -6.056 2.031 1.00 0.00 C ATOM 497 CD1 ILE A 35 -6.463 -8.221 3.456 1.00 0.00 C ATOM 0 H ILE A 35 -6.113 -4.143 4.063 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.041 -4.316 3.835 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.762 -6.788 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.805 -6.194 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.544 -6.793 5.040 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.954 -7.048 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.038 -5.647 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.279 -5.403 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.499 -8.612 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.262 -8.842 3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.511 -8.233 2.367 1.00 0.00 H new ATOM 509 N PRO A 36 -9.371 -4.831 6.284 1.00 0.00 N ATOM 510 CA PRO A 36 -9.585 -5.089 7.705 1.00 0.00 C ATOM 511 C PRO A 36 -9.516 -6.581 8.003 1.00 0.00 C ATOM 512 O PRO A 36 -10.525 -7.219 8.308 1.00 0.00 O ATOM 513 CB PRO A 36 -10.996 -4.544 7.980 1.00 0.00 C ATOM 514 CG PRO A 36 -11.414 -3.849 6.726 1.00 0.00 C ATOM 515 CD PRO A 36 -10.624 -4.474 5.614 1.00 0.00 C ATOM 0 HA PRO A 36 -8.826 -4.620 8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.685 -5.351 8.229 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.992 -3.856 8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.484 -3.965 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.216 -2.779 6.790 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.127 -5.348 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.461 -3.779 4.790 1.00 0.00 H new ATOM 523 N GLY A 37 -8.323 -7.135 7.867 1.00 0.00 N ATOM 524 CA GLY A 37 -8.117 -8.545 8.109 1.00 0.00 C ATOM 525 C GLY A 37 -6.724 -8.813 8.631 1.00 0.00 C ATOM 526 O GLY A 37 -5.979 -7.873 8.909 1.00 0.00 O ATOM 0 H GLY A 37 -7.484 -6.625 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.853 -8.904 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.275 -9.102 7.186 1.00 0.00 H new ATOM 530 N ALA A 38 -6.360 -10.078 8.761 1.00 0.00 N ATOM 531 CA ALA A 38 -5.053 -10.438 9.291 1.00 0.00 C ATOM 532 C ALA A 38 -4.253 -11.247 8.280 1.00 0.00 C ATOM 533 O ALA A 38 -3.129 -11.668 8.553 1.00 0.00 O ATOM 534 CB ALA A 38 -5.207 -11.213 10.591 1.00 0.00 C ATOM 0 H ALA A 38 -6.948 -10.872 8.508 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.504 -9.518 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.222 -11.476 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.730 -10.597 11.322 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.779 -12.122 10.407 1.00 0.00 H new ATOM 540 N THR A 39 -4.838 -11.471 7.115 1.00 0.00 N ATOM 541 CA THR A 39 -4.169 -12.217 6.064 1.00 0.00 C ATOM 542 C THR A 39 -4.470 -11.601 4.699 1.00 0.00 C ATOM 543 O THR A 39 -5.634 -11.420 4.329 1.00 0.00 O ATOM 544 CB THR A 39 -4.599 -13.700 6.089 1.00 0.00 C ATOM 545 OG1 THR A 39 -4.382 -14.246 7.403 1.00 0.00 O ATOM 546 CG2 THR A 39 -3.823 -14.516 5.063 1.00 0.00 C ATOM 0 H THR A 39 -5.775 -11.147 6.874 1.00 0.00 H new ATOM 0 HA THR A 39 -3.095 -12.167 6.240 1.00 0.00 H new ATOM 0 HB THR A 39 -5.658 -13.751 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.657 -15.186 7.416 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.148 -15.556 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.008 -14.117 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.757 -14.460 5.284 1.00 0.00 H new ATOM 554 N CYS A 40 -3.417 -11.267 3.968 1.00 0.00 N ATOM 555 CA CYS A 40 -3.549 -10.642 2.661 1.00 0.00 C ATOM 556 C CYS A 40 -3.816 -11.685 1.578 1.00 0.00 C ATOM 557 O CYS A 40 -3.553 -12.874 1.765 1.00 0.00 O ATOM 558 CB CYS A 40 -2.278 -9.854 2.320 1.00 0.00 C ATOM 559 SG CYS A 40 -2.002 -8.383 3.362 1.00 0.00 S ATOM 0 H CYS A 40 -2.452 -11.421 4.262 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.398 -9.959 2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.418 -10.517 2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.328 -9.541 1.277 1.00 0.00 H new ATOM 564 N PRO A 41 -4.375 -11.257 0.437 1.00 0.00 N ATOM 565 CA PRO A 41 -4.543 -12.125 -0.730 1.00 0.00 C ATOM 566 C PRO A 41 -3.195 -12.569 -1.285 1.00 0.00 C ATOM 567 O PRO A 41 -2.220 -11.822 -1.224 1.00 0.00 O ATOM 568 CB PRO A 41 -5.273 -11.234 -1.745 1.00 0.00 C ATOM 569 CG PRO A 41 -5.011 -9.838 -1.294 1.00 0.00 C ATOM 570 CD PRO A 41 -4.902 -9.904 0.200 1.00 0.00 C ATOM 0 HA PRO A 41 -5.086 -13.040 -0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.899 -11.399 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.341 -11.449 -1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.093 -9.450 -1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.818 -9.171 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.233 -9.137 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.869 -9.758 0.682 1.00 0.00 H new ATOM 578 N GLY A 42 -3.144 -13.780 -1.826 1.00 0.00 N ATOM 579 CA GLY A 42 -1.901 -14.303 -2.368 1.00 0.00 C ATOM 580 C GLY A 42 -1.381 -13.479 -3.529 1.00 0.00 C ATOM 581 O GLY A 42 -0.192 -13.515 -3.847 1.00 0.00 O ATOM 0 H GLY A 42 -3.942 -14.411 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.148 -14.330 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.056 -15.331 -2.697 1.00 0.00 H new ATOM 585 N ASP A 43 -2.278 -12.734 -4.163 1.00 0.00 N ATOM 586 CA ASP A 43 -1.915 -11.863 -5.273 1.00 0.00 C ATOM 587 C ASP A 43 -1.092 -10.676 -4.782 1.00 0.00 C ATOM 588 O ASP A 43 -0.121 -10.270 -5.422 1.00 0.00 O ATOM 589 CB ASP A 43 -3.172 -11.369 -5.999 1.00 0.00 C ATOM 590 CG ASP A 43 -3.951 -12.500 -6.643 1.00 0.00 C ATOM 591 OD1 ASP A 43 -3.619 -12.881 -7.784 1.00 0.00 O ATOM 592 OD2 ASP A 43 -4.889 -13.026 -6.005 1.00 0.00 O ATOM 0 H ASP A 43 -3.270 -12.716 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.308 -12.439 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.815 -10.846 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.886 -10.647 -6.764 1.00 0.00 H new ATOM 597 N TYR A 44 -1.471 -10.135 -3.631 1.00 0.00 N ATOM 598 CA TYR A 44 -0.771 -8.996 -3.053 1.00 0.00 C ATOM 599 C TYR A 44 -0.356 -9.297 -1.620 1.00 0.00 C ATOM 600 O TYR A 44 -1.077 -8.973 -0.676 1.00 0.00 O ATOM 601 CB TYR A 44 -1.648 -7.740 -3.079 1.00 0.00 C ATOM 602 CG TYR A 44 -1.975 -7.236 -4.468 1.00 0.00 C ATOM 603 CD1 TYR A 44 -0.981 -7.094 -5.429 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.274 -6.887 -4.812 1.00 0.00 C ATOM 605 CE1 TYR A 44 -1.274 -6.619 -6.692 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.576 -6.415 -6.075 1.00 0.00 C ATOM 607 CZ TYR A 44 -2.571 -6.281 -7.011 1.00 0.00 C ATOM 608 OH TYR A 44 -2.863 -5.804 -8.272 1.00 0.00 O ATOM 0 H TYR A 44 -2.261 -10.468 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 44 0.119 -8.813 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.579 -7.951 -2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.143 -6.947 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.037 -7.359 -5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.062 -6.986 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.490 -6.513 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.593 -6.153 -6.328 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.822 -5.613 -8.336 1.00 0.00 H new ATOM 618 N ALA A 45 0.787 -9.945 -1.460 1.00 0.00 N ATOM 619 CA ALA A 45 1.292 -10.265 -0.135 1.00 0.00 C ATOM 620 C ALA A 45 2.765 -9.890 -0.006 1.00 0.00 C ATOM 621 O ALA A 45 3.653 -10.707 -0.257 1.00 0.00 O ATOM 622 CB ALA A 45 1.086 -11.743 0.175 1.00 0.00 C ATOM 0 H ALA A 45 1.380 -10.259 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 45 0.729 -9.678 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.470 -11.963 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.022 -11.978 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.618 -12.347 -0.561 1.00 0.00 H new ATOM 628 N ASN A 46 3.021 -8.646 0.372 1.00 0.00 N ATOM 629 CA ASN A 46 4.385 -8.163 0.544 1.00 0.00 C ATOM 630 C ASN A 46 4.537 -7.503 1.896 1.00 0.00 C ATOM 631 O ASN A 46 4.840 -8.216 2.871 1.00 0.00 O ATOM 632 CB ASN A 46 4.764 -7.177 -0.557 1.00 0.00 C ATOM 633 CG ASN A 46 4.944 -7.854 -1.897 1.00 0.00 C ATOM 634 OD1 ASN A 46 6.034 -8.325 -2.233 1.00 0.00 O ATOM 635 ND2 ASN A 46 3.882 -7.895 -2.679 1.00 0.00 N ATOM 636 OXT ASN A 46 4.341 -6.280 1.983 1.00 0.00 O ATOM 0 H ASN A 46 2.301 -7.951 0.566 1.00 0.00 H new ATOM 0 HA ASN A 46 5.055 -9.020 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.991 -6.413 -0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.688 -6.667 -0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.944 -8.328 -3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.000 -7.493 -2.362 1.00 0.00 H new