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+ -126:sc= 1.93 (180deg=0.7) USER MOD Single : A 1 THR OG1 : rot 157:sc= -0.0549 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 1.2 K(o=1.2,f=-0.049) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 21 THR OG1 : rot 109:sc= 1.08 USER MOD Single : A 28 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 71:sc= 0.445 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= 0.63 K(o=0.63,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -7.601 -2.657 5.819 1.00 0.00 N ATOM 2 CA THR A 1 -6.169 -2.313 5.762 1.00 0.00 C ATOM 3 C THR A 1 -5.669 -2.266 4.315 1.00 0.00 C ATOM 4 O THR A 1 -6.046 -3.097 3.489 1.00 0.00 O ATOM 5 CB THR A 1 -5.339 -3.339 6.560 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.885 -3.482 7.877 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.886 -2.909 6.663 1.00 0.00 C ATOM 0 H1 THR A 1 -8.110 -1.935 6.368 1.00 0.00 H new ATOM 0 H2 THR A 1 -7.988 -2.695 4.854 1.00 0.00 H new ATOM 0 H3 THR A 1 -7.717 -3.584 6.275 1.00 0.00 H new ATOM 0 HA THR A 1 -6.047 -1.324 6.205 1.00 0.00 H new ATOM 0 HB THR A 1 -5.381 -4.292 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 1 -5.620 -4.349 8.249 1.00 0.00 H new ATOM 0 HG21 THR A 1 -3.326 -3.652 7.231 1.00 0.00 H new ATOM 0 HG22 THR A 1 -3.461 -2.821 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 1 -3.827 -1.945 7.169 1.00 0.00 H new ATOM 17 N THR A 2 -4.837 -1.280 4.008 1.00 0.00 N ATOM 18 CA THR A 2 -4.212 -1.186 2.700 1.00 0.00 C ATOM 19 C THR A 2 -2.855 -1.882 2.711 1.00 0.00 C ATOM 20 O THR A 2 -1.987 -1.561 3.527 1.00 0.00 O ATOM 21 CB THR A 2 -4.020 0.279 2.278 1.00 0.00 C ATOM 22 OG1 THR A 2 -5.249 1.000 2.438 1.00 0.00 O ATOM 23 CG2 THR A 2 -3.550 0.381 0.833 1.00 0.00 C ATOM 0 H THR A 2 -4.580 -0.532 4.652 1.00 0.00 H new ATOM 0 HA THR A 2 -4.873 -1.675 1.984 1.00 0.00 H new ATOM 0 HB THR A 2 -3.254 0.716 2.918 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.118 1.933 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.423 1.430 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.599 -0.139 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.291 -0.075 0.176 1.00 0.00 H new ATOM 31 N CYS A 3 -2.675 -2.825 1.804 1.00 0.00 N ATOM 32 CA CYS A 3 -1.447 -3.605 1.730 1.00 0.00 C ATOM 33 C CYS A 3 -0.922 -3.597 0.302 1.00 0.00 C ATOM 34 O CYS A 3 -1.699 -3.634 -0.649 1.00 0.00 O ATOM 35 CB CYS A 3 -1.702 -5.043 2.204 1.00 0.00 C ATOM 36 SG CYS A 3 -2.273 -5.159 3.935 1.00 0.00 S ATOM 0 H CYS A 3 -3.370 -3.073 1.100 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.698 -3.158 2.383 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.446 -5.503 1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.784 -5.620 2.095 1.00 0.00 H new ATOM 41 N CYS A 4 0.385 -3.525 0.138 1.00 0.00 N ATOM 42 CA CYS A 4 0.965 -3.456 -1.190 1.00 0.00 C ATOM 43 C CYS A 4 1.687 -4.759 -1.523 1.00 0.00 C ATOM 44 O CYS A 4 2.035 -5.521 -0.627 1.00 0.00 O ATOM 45 CB CYS A 4 1.932 -2.269 -1.264 1.00 0.00 C ATOM 46 SG CYS A 4 1.744 -1.247 -2.764 1.00 0.00 S ATOM 0 H CYS A 4 1.061 -3.513 0.901 1.00 0.00 H new ATOM 0 HA CYS A 4 0.170 -3.313 -1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.784 -1.639 -0.387 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.955 -2.644 -1.219 1.00 0.00 H new ATOM 51 N PRO A 5 1.850 -5.074 -2.814 1.00 0.00 N ATOM 52 CA PRO A 5 2.683 -6.183 -3.249 1.00 0.00 C ATOM 53 C PRO A 5 4.146 -5.797 -3.304 1.00 0.00 C ATOM 54 O PRO A 5 4.483 -4.638 -3.537 1.00 0.00 O ATOM 55 CB PRO A 5 2.184 -6.506 -4.658 1.00 0.00 C ATOM 56 CG PRO A 5 1.052 -5.558 -4.925 1.00 0.00 C ATOM 57 CD PRO A 5 1.205 -4.423 -3.951 1.00 0.00 C ATOM 0 HA PRO A 5 2.613 -7.026 -2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.980 -6.380 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.850 -7.541 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.085 -5.195 -5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.091 -6.055 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.815 -3.617 -4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.243 -3.988 -3.679 1.00 0.00 H new ATOM 65 N SER A 6 4.992 -6.799 -3.147 1.00 0.00 N ATOM 66 CA SER A 6 6.436 -6.636 -3.104 1.00 0.00 C ATOM 67 C SER A 6 6.915 -5.660 -2.006 1.00 0.00 C ATOM 68 O SER A 6 6.210 -4.735 -1.598 1.00 0.00 O ATOM 69 CB SER A 6 6.902 -6.199 -4.482 1.00 0.00 C ATOM 70 OG SER A 6 8.262 -5.799 -4.485 1.00 0.00 O ATOM 0 H SER A 6 4.690 -7.768 -3.044 1.00 0.00 H new ATOM 0 HA SER A 6 6.883 -7.593 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.765 -7.019 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.281 -5.373 -4.829 1.00 0.00 H new ATOM 0 HG SER A 6 8.521 -5.528 -5.390 1.00 0.00 H new ATOM 76 N ILE A 7 8.138 -5.880 -1.534 1.00 0.00 N ATOM 77 CA ILE A 7 8.740 -5.034 -0.506 1.00 0.00 C ATOM 78 C ILE A 7 9.078 -3.666 -1.085 1.00 0.00 C ATOM 79 O ILE A 7 9.012 -2.641 -0.399 1.00 0.00 O ATOM 80 CB ILE A 7 10.031 -5.675 0.052 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.755 -7.084 0.585 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.631 -4.803 1.146 1.00 0.00 C ATOM 83 CD1 ILE A 7 8.790 -7.119 1.751 1.00 0.00 C ATOM 0 H ILE A 7 8.737 -6.643 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 7 8.018 -4.927 0.303 1.00 0.00 H new ATOM 0 HB ILE A 7 10.749 -5.753 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.355 -7.696 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.698 -7.537 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.539 -5.270 1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.872 -3.821 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.912 -4.692 1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.645 -8.150 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.196 -6.535 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.833 -6.697 1.444 1.00 0.00 H new ATOM 95 N VAL A 8 9.420 -3.669 -2.366 1.00 0.00 N ATOM 96 CA VAL A 8 9.816 -2.458 -3.067 1.00 0.00 C ATOM 97 C VAL A 8 8.699 -1.416 -3.032 1.00 0.00 C ATOM 98 O VAL A 8 8.954 -0.225 -2.846 1.00 0.00 O ATOM 99 CB VAL A 8 10.187 -2.756 -4.538 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.698 -1.500 -5.225 1.00 0.00 C ATOM 101 CG2 VAL A 8 11.223 -3.868 -4.624 1.00 0.00 C ATOM 0 H VAL A 8 9.430 -4.508 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 8 10.693 -2.063 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 8 9.286 -3.091 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.954 -1.730 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.923 -0.733 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.583 -1.135 -4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.467 -4.058 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.125 -3.567 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.821 -4.776 -4.174 1.00 0.00 H new ATOM 111 N ALA A 9 7.463 -1.873 -3.187 1.00 0.00 N ATOM 112 CA ALA A 9 6.322 -0.969 -3.222 1.00 0.00 C ATOM 113 C ALA A 9 6.102 -0.306 -1.869 1.00 0.00 C ATOM 114 O ALA A 9 5.774 0.878 -1.802 1.00 0.00 O ATOM 115 CB ALA A 9 5.074 -1.708 -3.665 1.00 0.00 C ATOM 0 H ALA A 9 7.226 -2.860 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 9 6.537 -0.183 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.231 -1.018 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.230 -2.120 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.863 -2.518 -2.966 1.00 0.00 H new ATOM 121 N ARG A 10 6.309 -1.063 -0.795 1.00 0.00 N ATOM 122 CA ARG A 10 6.159 -0.539 0.560 1.00 0.00 C ATOM 123 C ARG A 10 7.077 0.666 0.784 1.00 0.00 C ATOM 124 O ARG A 10 6.634 1.718 1.250 1.00 0.00 O ATOM 125 CB ARG A 10 6.467 -1.622 1.596 1.00 0.00 C ATOM 126 CG ARG A 10 6.561 -1.083 3.012 1.00 0.00 C ATOM 127 CD ARG A 10 7.025 -2.147 3.987 1.00 0.00 C ATOM 128 NE ARG A 10 5.988 -3.137 4.282 1.00 0.00 N ATOM 129 CZ ARG A 10 6.160 -4.162 5.121 1.00 0.00 C ATOM 130 NH1 ARG A 10 7.336 -4.369 5.704 1.00 0.00 N ATOM 131 NH2 ARG A 10 5.152 -4.985 5.368 1.00 0.00 N ATOM 0 H ARG A 10 6.582 -2.045 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 10 5.124 -0.219 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.691 -2.386 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.407 -2.108 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.253 -0.241 3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.587 -0.704 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.898 -2.654 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.340 -1.670 4.915 1.00 0.00 H new ATOM 0 HE ARG A 10 5.083 -3.039 3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.118 -3.742 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.457 -5.155 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.249 -4.835 4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.279 -5.769 6.008 1.00 0.00 H new ATOM 145 N SER A 11 8.352 0.507 0.445 1.00 0.00 N ATOM 146 CA SER A 11 9.335 1.576 0.607 1.00 0.00 C ATOM 147 C SER A 11 8.958 2.809 -0.218 1.00 0.00 C ATOM 148 O SER A 11 9.129 3.941 0.230 1.00 0.00 O ATOM 149 CB SER A 11 10.723 1.071 0.210 1.00 0.00 C ATOM 150 OG SER A 11 11.039 -0.122 0.912 1.00 0.00 O ATOM 0 H SER A 11 8.732 -0.355 0.054 1.00 0.00 H new ATOM 0 HA SER A 11 9.348 1.872 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.756 0.887 -0.864 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.470 1.835 0.426 1.00 0.00 H new ATOM 0 HG SER A 11 11.929 -0.433 0.645 1.00 0.00 H new ATOM 156 N ASN A 12 8.426 2.580 -1.412 1.00 0.00 N ATOM 157 CA ASN A 12 8.013 3.672 -2.290 1.00 0.00 C ATOM 158 C ASN A 12 6.742 4.338 -1.777 1.00 0.00 C ATOM 159 O ASN A 12 6.562 5.548 -1.927 1.00 0.00 O ATOM 160 CB ASN A 12 7.812 3.168 -3.724 1.00 0.00 C ATOM 161 CG ASN A 12 9.121 3.037 -4.486 1.00 0.00 C ATOM 162 OD1 ASN A 12 9.565 3.974 -5.138 1.00 0.00 O ATOM 163 ND2 ASN A 12 9.746 1.869 -4.408 1.00 0.00 N ATOM 0 H ASN A 12 8.270 1.648 -1.796 1.00 0.00 H new ATOM 0 HA ASN A 12 8.809 4.417 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.312 2.200 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.152 3.853 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.628 1.728 -4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.345 1.112 -3.855 1.00 0.00 H new ATOM 170 N PHE A 13 5.868 3.549 -1.165 1.00 0.00 N ATOM 171 CA PHE A 13 4.631 4.062 -0.587 1.00 0.00 C ATOM 172 C PHE A 13 4.948 5.031 0.554 1.00 0.00 C ATOM 173 O PHE A 13 4.322 6.084 0.677 1.00 0.00 O ATOM 174 CB PHE A 13 3.762 2.902 -0.085 1.00 0.00 C ATOM 175 CG PHE A 13 2.385 3.309 0.369 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.357 3.460 -0.545 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.120 3.534 1.710 1.00 0.00 C ATOM 178 CE1 PHE A 13 0.091 3.828 -0.131 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.857 3.901 2.129 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.159 4.048 1.208 1.00 0.00 C ATOM 0 H PHE A 13 5.994 2.543 -1.055 1.00 0.00 H new ATOM 0 HA PHE A 13 4.076 4.601 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.666 2.165 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.274 2.412 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.546 3.288 -1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.911 3.421 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.702 3.943 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.665 4.073 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.148 4.335 1.534 1.00 0.00 H new ATOM 190 N ASN A 14 5.941 4.676 1.367 1.00 0.00 N ATOM 191 CA ASN A 14 6.380 5.537 2.467 1.00 0.00 C ATOM 192 C ASN A 14 6.883 6.875 1.939 1.00 0.00 C ATOM 193 O ASN A 14 6.622 7.920 2.531 1.00 0.00 O ATOM 194 CB ASN A 14 7.490 4.873 3.284 1.00 0.00 C ATOM 195 CG ASN A 14 7.029 3.650 4.055 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.862 3.527 4.420 1.00 0.00 O ATOM 197 ND2 ASN A 14 7.962 2.756 4.333 1.00 0.00 N ATOM 0 H ASN A 14 6.457 3.800 1.286 1.00 0.00 H new ATOM 0 HA ASN A 14 5.516 5.702 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.300 4.586 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.899 5.601 3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.725 1.922 4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.919 2.900 4.009 1.00 0.00 H new ATOM 204 N VAL A 15 7.599 6.833 0.819 1.00 0.00 N ATOM 205 CA VAL A 15 8.120 8.044 0.194 1.00 0.00 C ATOM 206 C VAL A 15 6.980 8.971 -0.216 1.00 0.00 C ATOM 207 O VAL A 15 7.081 10.192 -0.094 1.00 0.00 O ATOM 208 CB VAL A 15 8.986 7.716 -1.041 1.00 0.00 C ATOM 209 CG1 VAL A 15 9.510 8.990 -1.687 1.00 0.00 C ATOM 210 CG2 VAL A 15 10.138 6.802 -0.652 1.00 0.00 C ATOM 0 H VAL A 15 7.832 5.971 0.325 1.00 0.00 H new ATOM 0 HA VAL A 15 8.746 8.545 0.932 1.00 0.00 H new ATOM 0 HB VAL A 15 8.362 7.198 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.118 8.734 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.671 9.610 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.118 9.539 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.740 6.580 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.758 7.296 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.743 5.874 -0.239 1.00 0.00 H new ATOM 220 N CYS A 16 5.886 8.380 -0.676 1.00 0.00 N ATOM 221 CA CYS A 16 4.713 9.143 -1.075 1.00 0.00 C ATOM 222 C CYS A 16 3.989 9.696 0.151 1.00 0.00 C ATOM 223 O CYS A 16 3.485 10.818 0.139 1.00 0.00 O ATOM 224 CB CYS A 16 3.759 8.268 -1.894 1.00 0.00 C ATOM 225 SG CYS A 16 2.289 9.145 -2.523 1.00 0.00 S ATOM 0 H CYS A 16 5.787 7.370 -0.782 1.00 0.00 H new ATOM 0 HA CYS A 16 5.044 9.978 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.305 7.847 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.432 7.431 -1.277 1.00 0.00 H new ATOM 230 N ARG A 17 3.968 8.909 1.220 1.00 0.00 N ATOM 231 CA ARG A 17 3.244 9.283 2.429 1.00 0.00 C ATOM 232 C ARG A 17 3.992 10.352 3.218 1.00 0.00 C ATOM 233 O ARG A 17 3.381 11.146 3.929 1.00 0.00 O ATOM 234 CB ARG A 17 3.031 8.055 3.314 1.00 0.00 C ATOM 235 CG ARG A 17 2.028 8.294 4.425 1.00 0.00 C ATOM 236 CD ARG A 17 0.632 8.398 3.854 1.00 0.00 C ATOM 237 NE ARG A 17 -0.320 8.964 4.803 1.00 0.00 N ATOM 238 CZ ARG A 17 -1.436 8.351 5.175 1.00 0.00 C ATOM 239 NH1 ARG A 17 -1.612 7.068 4.901 1.00 0.00 N ATOM 240 NH2 ARG A 17 -2.346 8.995 5.886 1.00 0.00 N ATOM 0 H ARG A 17 4.444 8.008 1.274 1.00 0.00 H new ATOM 0 HA ARG A 17 2.280 9.691 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.690 7.224 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.985 7.758 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.074 7.479 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.279 9.209 4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.656 9.016 2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.292 7.408 3.551 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.117 9.880 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.889 6.549 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.471 6.598 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.192 9.968 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.202 8.519 6.169 1.00 0.00 H new ATOM 254 N LEU A 18 5.312 10.367 3.066 1.00 0.00 N ATOM 255 CA LEU A 18 6.190 11.236 3.854 1.00 0.00 C ATOM 256 C LEU A 18 5.770 12.717 3.811 1.00 0.00 C ATOM 257 O LEU A 18 5.601 13.327 4.868 1.00 0.00 O ATOM 258 CB LEU A 18 7.648 11.079 3.391 1.00 0.00 C ATOM 259 CG LEU A 18 8.698 11.774 4.262 1.00 0.00 C ATOM 260 CD1 LEU A 18 8.696 11.183 5.665 1.00 0.00 C ATOM 261 CD2 LEU A 18 10.082 11.652 3.640 1.00 0.00 C ATOM 0 H LEU A 18 5.807 9.779 2.395 1.00 0.00 H new ATOM 0 HA LEU A 18 6.099 10.917 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.884 10.016 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.731 11.465 2.375 1.00 0.00 H new ATOM 0 HG LEU A 18 8.443 12.832 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.447 11.687 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.713 11.320 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.926 10.119 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.812 12.153 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.346 10.599 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.080 12.117 2.654 1.00 0.00 H new ATOM 273 N PRO A 19 5.590 13.331 2.615 1.00 0.00 N ATOM 274 CA PRO A 19 5.200 14.744 2.525 1.00 0.00 C ATOM 275 C PRO A 19 3.754 15.003 2.960 1.00 0.00 C ATOM 276 O PRO A 19 3.314 16.153 3.023 1.00 0.00 O ATOM 277 CB PRO A 19 5.373 15.073 1.039 1.00 0.00 C ATOM 278 CG PRO A 19 5.219 13.770 0.338 1.00 0.00 C ATOM 279 CD PRO A 19 5.779 12.734 1.273 1.00 0.00 C ATOM 0 HA PRO A 19 5.803 15.361 3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.626 15.793 0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.350 15.514 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.172 13.568 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.755 13.771 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.252 11.784 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.831 12.536 1.067 1.00 0.00 H new ATOM 287 N GLY A 20 3.020 13.937 3.256 1.00 0.00 N ATOM 288 CA GLY A 20 1.648 14.080 3.705 1.00 0.00 C ATOM 289 C GLY A 20 0.646 13.875 2.587 1.00 0.00 C ATOM 290 O GLY A 20 -0.258 14.689 2.394 1.00 0.00 O ATOM 0 H GLY A 20 3.351 12.974 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.453 13.360 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.511 15.073 4.133 1.00 0.00 H new ATOM 294 N THR A 21 0.806 12.785 1.851 1.00 0.00 N ATOM 295 CA THR A 21 -0.108 12.461 0.770 1.00 0.00 C ATOM 296 C THR A 21 -1.084 11.380 1.226 1.00 0.00 C ATOM 297 O THR A 21 -0.674 10.402 1.848 1.00 0.00 O ATOM 298 CB THR A 21 0.655 11.964 -0.474 1.00 0.00 C ATOM 299 OG1 THR A 21 1.805 12.789 -0.709 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.238 11.990 -1.704 1.00 0.00 C ATOM 0 H THR A 21 1.560 12.111 1.984 1.00 0.00 H new ATOM 0 HA THR A 21 -0.652 13.367 0.505 1.00 0.00 H new ATOM 0 HB THR A 21 0.970 10.937 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.618 12.284 -0.500 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.323 11.635 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.101 11.344 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.578 13.010 -1.886 1.00 0.00 H new ATOM 308 N PRO A 22 -2.386 11.557 0.953 1.00 0.00 N ATOM 309 CA PRO A 22 -3.414 10.569 1.296 1.00 0.00 C ATOM 310 C PRO A 22 -3.086 9.183 0.740 1.00 0.00 C ATOM 311 O PRO A 22 -2.550 9.056 -0.368 1.00 0.00 O ATOM 312 CB PRO A 22 -4.695 11.127 0.648 1.00 0.00 C ATOM 313 CG PRO A 22 -4.235 12.192 -0.291 1.00 0.00 C ATOM 314 CD PRO A 22 -2.963 12.734 0.289 1.00 0.00 C ATOM 0 HA PRO A 22 -3.503 10.432 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.240 10.345 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.371 11.533 1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.067 11.786 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.985 12.977 -0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.302 13.129 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.152 13.545 0.993 1.00 0.00 H new ATOM 322 N GLU A 23 -3.417 8.148 1.505 1.00 0.00 N ATOM 323 CA GLU A 23 -3.050 6.780 1.152 1.00 0.00 C ATOM 324 C GLU A 23 -3.712 6.321 -0.144 1.00 0.00 C ATOM 325 O GLU A 23 -3.115 5.565 -0.909 1.00 0.00 O ATOM 326 CB GLU A 23 -3.393 5.796 2.283 1.00 0.00 C ATOM 327 CG GLU A 23 -4.723 6.063 2.974 1.00 0.00 C ATOM 328 CD GLU A 23 -4.599 7.086 4.087 1.00 0.00 C ATOM 329 OE1 GLU A 23 -4.251 6.694 5.224 1.00 0.00 O ATOM 330 OE2 GLU A 23 -4.822 8.283 3.826 1.00 0.00 O ATOM 0 H GLU A 23 -3.941 8.231 2.376 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.971 6.784 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.407 4.785 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.598 5.828 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.447 6.415 2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.111 5.130 3.383 1.00 0.00 H new ATOM 337 N ALA A 24 -4.929 6.787 -0.399 1.00 0.00 N ATOM 338 CA ALA A 24 -5.654 6.388 -1.601 1.00 0.00 C ATOM 339 C ALA A 24 -4.941 6.897 -2.846 1.00 0.00 C ATOM 340 O ALA A 24 -4.868 6.206 -3.865 1.00 0.00 O ATOM 341 CB ALA A 24 -7.084 6.902 -1.555 1.00 0.00 C ATOM 0 H ALA A 24 -5.432 7.437 0.205 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.682 5.299 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.610 6.595 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.591 6.490 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.078 7.990 -1.490 1.00 0.00 H new ATOM 347 N LEU A 25 -4.398 8.105 -2.746 1.00 0.00 N ATOM 348 CA LEU A 25 -3.662 8.716 -3.836 1.00 0.00 C ATOM 349 C LEU A 25 -2.388 7.923 -4.121 1.00 0.00 C ATOM 350 O LEU A 25 -2.092 7.591 -5.272 1.00 0.00 O ATOM 351 CB LEU A 25 -3.331 10.169 -3.467 1.00 0.00 C ATOM 352 CG LEU A 25 -3.317 11.158 -4.630 1.00 0.00 C ATOM 353 CD1 LEU A 25 -3.222 12.584 -4.112 1.00 0.00 C ATOM 354 CD2 LEU A 25 -2.167 10.871 -5.583 1.00 0.00 C ATOM 0 H LEU A 25 -4.458 8.683 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.271 8.709 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.057 10.512 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.354 10.189 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.251 11.041 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.213 13.277 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.080 12.798 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.304 12.701 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.184 11.592 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.221 10.952 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.271 9.863 -5.985 1.00 0.00 H new ATOM 366 N CYS A 26 -1.648 7.605 -3.065 1.00 0.00 N ATOM 367 CA CYS A 26 -0.399 6.864 -3.200 1.00 0.00 C ATOM 368 C CYS A 26 -0.641 5.423 -3.650 1.00 0.00 C ATOM 369 O CYS A 26 0.003 4.953 -4.582 1.00 0.00 O ATOM 370 CB CYS A 26 0.375 6.880 -1.882 1.00 0.00 C ATOM 371 SG CYS A 26 0.791 8.551 -1.290 1.00 0.00 S ATOM 0 H CYS A 26 -1.891 7.849 -2.105 1.00 0.00 H new ATOM 0 HA CYS A 26 0.193 7.358 -3.970 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.215 6.372 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.296 6.310 -2.006 1.00 0.00 H new ATOM 376 N ALA A 27 -1.594 4.741 -3.009 1.00 0.00 N ATOM 377 CA ALA A 27 -1.871 3.331 -3.294 1.00 0.00 C ATOM 378 C ALA A 27 -2.151 3.092 -4.773 1.00 0.00 C ATOM 379 O ALA A 27 -1.740 2.078 -5.338 1.00 0.00 O ATOM 380 CB ALA A 27 -3.048 2.848 -2.460 1.00 0.00 C ATOM 0 H ALA A 27 -2.189 5.145 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.978 2.764 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.244 1.799 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.813 2.958 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.931 3.440 -2.700 1.00 0.00 H new ATOM 386 N THR A 28 -2.841 4.036 -5.397 1.00 0.00 N ATOM 387 CA THR A 28 -3.201 3.927 -6.805 1.00 0.00 C ATOM 388 C THR A 28 -1.963 4.005 -7.701 1.00 0.00 C ATOM 389 O THR A 28 -1.930 3.430 -8.789 1.00 0.00 O ATOM 390 CB THR A 28 -4.197 5.042 -7.187 1.00 0.00 C ATOM 391 OG1 THR A 28 -5.299 5.038 -6.268 1.00 0.00 O ATOM 392 CG2 THR A 28 -4.724 4.851 -8.604 1.00 0.00 C ATOM 0 H THR A 28 -3.165 4.892 -4.947 1.00 0.00 H new ATOM 0 HA THR A 28 -3.671 2.956 -6.957 1.00 0.00 H new ATOM 0 HB THR A 28 -3.672 5.996 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.028 5.468 -5.430 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.423 5.652 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.892 4.873 -9.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.234 3.891 -8.676 1.00 0.00 H new ATOM 400 N TYR A 29 -0.935 4.694 -7.225 1.00 0.00 N ATOM 401 CA TYR A 29 0.284 4.878 -8.001 1.00 0.00 C ATOM 402 C TYR A 29 1.236 3.711 -7.789 1.00 0.00 C ATOM 403 O TYR A 29 1.915 3.272 -8.717 1.00 0.00 O ATOM 404 CB TYR A 29 0.977 6.184 -7.603 1.00 0.00 C ATOM 405 CG TYR A 29 1.938 6.706 -8.643 1.00 0.00 C ATOM 406 CD1 TYR A 29 3.255 6.270 -8.684 1.00 0.00 C ATOM 407 CD2 TYR A 29 1.522 7.630 -9.596 1.00 0.00 C ATOM 408 CE1 TYR A 29 4.135 6.748 -9.633 1.00 0.00 C ATOM 409 CE2 TYR A 29 2.395 8.111 -10.549 1.00 0.00 C ATOM 410 CZ TYR A 29 3.696 7.660 -10.569 1.00 0.00 C ATOM 411 OH TYR A 29 4.569 8.136 -11.515 1.00 0.00 O ATOM 0 H TYR A 29 -0.921 5.135 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 29 0.011 4.924 -9.055 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.218 6.942 -7.410 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.517 6.028 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.597 5.544 -7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.499 7.976 -9.589 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.161 6.410 -9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.060 8.837 -11.275 1.00 0.00 H new ATOM 0 HH TYR A 29 4.104 8.769 -12.100 1.00 0.00 H new ATOM 421 N THR A 30 1.285 3.208 -6.568 1.00 0.00 N ATOM 422 CA THR A 30 2.221 2.157 -6.221 1.00 0.00 C ATOM 423 C THR A 30 1.671 0.775 -6.573 1.00 0.00 C ATOM 424 O THR A 30 2.428 -0.174 -6.789 1.00 0.00 O ATOM 425 CB THR A 30 2.541 2.224 -4.726 1.00 0.00 C ATOM 426 OG1 THR A 30 2.495 3.588 -4.297 1.00 0.00 O ATOM 427 CG2 THR A 30 3.919 1.670 -4.446 1.00 0.00 C ATOM 0 H THR A 30 0.686 3.512 -5.800 1.00 0.00 H new ATOM 0 HA THR A 30 3.131 2.312 -6.801 1.00 0.00 H new ATOM 0 HB THR A 30 1.805 1.628 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.566 3.899 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.124 1.728 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.965 0.630 -4.768 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.663 2.252 -4.990 1.00 0.00 H new ATOM 435 N GLY A 31 0.353 0.671 -6.638 1.00 0.00 N ATOM 436 CA GLY A 31 -0.272 -0.595 -6.954 1.00 0.00 C ATOM 437 C GLY A 31 -0.664 -1.368 -5.710 1.00 0.00 C ATOM 438 O GLY A 31 -0.660 -2.596 -5.711 1.00 0.00 O ATOM 0 H GLY A 31 -0.296 1.442 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.158 -0.418 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.412 -1.196 -7.553 1.00 0.00 H new ATOM 442 N CYS A 32 -1.000 -0.648 -4.647 1.00 0.00 N ATOM 443 CA CYS A 32 -1.387 -1.277 -3.392 1.00 0.00 C ATOM 444 C CYS A 32 -2.868 -1.649 -3.425 1.00 0.00 C ATOM 445 O CYS A 32 -3.660 -0.982 -4.085 1.00 0.00 O ATOM 446 CB CYS A 32 -1.112 -0.330 -2.221 1.00 0.00 C ATOM 447 SG CYS A 32 0.592 0.316 -2.162 1.00 0.00 S ATOM 0 H CYS A 32 -1.012 0.372 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.798 -2.184 -3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.805 0.510 -2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.322 -0.854 -1.288 1.00 0.00 H new ATOM 452 N ILE A 33 -3.243 -2.703 -2.710 1.00 0.00 N ATOM 453 CA ILE A 33 -4.633 -3.133 -2.673 1.00 0.00 C ATOM 454 C ILE A 33 -5.311 -2.612 -1.407 1.00 0.00 C ATOM 455 O ILE A 33 -4.730 -2.637 -0.317 1.00 0.00 O ATOM 456 CB ILE A 33 -4.785 -4.675 -2.746 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.085 -5.360 -1.568 1.00 0.00 C ATOM 458 CG2 ILE A 33 -4.228 -5.210 -4.059 1.00 0.00 C ATOM 459 CD1 ILE A 33 -4.301 -6.857 -1.517 1.00 0.00 C ATOM 0 H ILE A 33 -2.607 -3.272 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.116 -2.715 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.850 -4.901 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.015 -5.158 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.443 -4.919 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.345 -6.293 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.769 -4.763 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.171 -4.957 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.775 -7.271 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.367 -7.068 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.917 -7.311 -2.430 1.00 0.00 H new ATOM 471 N ILE A 34 -6.530 -2.121 -1.559 1.00 0.00 N ATOM 472 CA ILE A 34 -7.286 -1.596 -0.432 1.00 0.00 C ATOM 473 C ILE A 34 -8.456 -2.509 -0.119 1.00 0.00 C ATOM 474 O ILE A 34 -9.464 -2.515 -0.823 1.00 0.00 O ATOM 475 CB ILE A 34 -7.802 -0.165 -0.709 1.00 0.00 C ATOM 476 CG1 ILE A 34 -6.637 0.743 -1.105 1.00 0.00 C ATOM 477 CG2 ILE A 34 -8.513 0.398 0.517 1.00 0.00 C ATOM 478 CD1 ILE A 34 -7.061 2.119 -1.571 1.00 0.00 C ATOM 0 H ILE A 34 -7.019 -2.075 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.614 -1.553 0.425 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.516 -0.208 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.967 0.850 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.068 0.261 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.868 1.406 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.360 -0.239 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.819 0.430 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.178 2.702 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.706 2.025 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.604 2.623 -0.771 1.00 0.00 H new ATOM 490 N ILE A 35 -8.302 -3.298 0.929 1.00 0.00 N ATOM 491 CA ILE A 35 -9.330 -4.245 1.321 1.00 0.00 C ATOM 492 C ILE A 35 -9.922 -3.863 2.675 1.00 0.00 C ATOM 493 O ILE A 35 -9.248 -3.244 3.504 1.00 0.00 O ATOM 494 CB ILE A 35 -8.778 -5.691 1.386 1.00 0.00 C ATOM 495 CG1 ILE A 35 -7.607 -5.775 2.372 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.355 -6.166 0.001 1.00 0.00 C ATOM 497 CD1 ILE A 35 -7.047 -7.171 2.543 1.00 0.00 C ATOM 0 H ILE A 35 -7.474 -3.302 1.525 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.110 -4.209 0.561 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.572 -6.348 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.810 -5.114 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.935 -5.405 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.970 -7.184 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.215 -6.146 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.577 -5.508 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.222 -7.148 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.829 -7.834 2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.686 -7.538 1.582 1.00 0.00 H new ATOM 509 N PRO A 36 -11.201 -4.210 2.907 1.00 0.00 N ATOM 510 CA PRO A 36 -11.885 -3.941 4.177 1.00 0.00 C ATOM 511 C PRO A 36 -11.335 -4.798 5.312 1.00 0.00 C ATOM 512 O PRO A 36 -11.506 -4.476 6.490 1.00 0.00 O ATOM 513 CB PRO A 36 -13.350 -4.304 3.897 1.00 0.00 C ATOM 514 CG PRO A 36 -13.452 -4.452 2.414 1.00 0.00 C ATOM 515 CD PRO A 36 -12.091 -4.871 1.944 1.00 0.00 C ATOM 0 HA PRO A 36 -11.751 -2.908 4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.628 -5.228 4.403 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.023 -3.527 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.203 -5.196 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.753 -3.514 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.972 -5.954 1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.897 -4.544 0.922 1.00 0.00 H new ATOM 523 N GLY A 37 -10.673 -5.887 4.942 1.00 0.00 N ATOM 524 CA GLY A 37 -10.087 -6.771 5.922 1.00 0.00 C ATOM 525 C GLY A 37 -8.941 -6.114 6.654 1.00 0.00 C ATOM 526 O GLY A 37 -8.271 -5.234 6.111 1.00 0.00 O ATOM 0 H GLY A 37 -10.533 -6.172 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.849 -7.076 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.733 -7.676 5.429 1.00 0.00 H new ATOM 530 N ALA A 38 -8.713 -6.546 7.878 1.00 0.00 N ATOM 531 CA ALA A 38 -7.697 -5.950 8.725 1.00 0.00 C ATOM 532 C ALA A 38 -6.391 -6.712 8.609 1.00 0.00 C ATOM 533 O ALA A 38 -5.309 -6.124 8.660 1.00 0.00 O ATOM 534 CB ALA A 38 -8.170 -5.932 10.165 1.00 0.00 C ATOM 0 H ALA A 38 -9.223 -7.315 8.312 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.525 -4.925 8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.402 -5.483 10.795 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.087 -5.348 10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.362 -6.952 10.498 1.00 0.00 H new ATOM 540 N THR A 39 -6.502 -8.018 8.444 1.00 0.00 N ATOM 541 CA THR A 39 -5.336 -8.871 8.347 1.00 0.00 C ATOM 542 C THR A 39 -5.064 -9.265 6.895 1.00 0.00 C ATOM 543 O THR A 39 -5.879 -9.936 6.258 1.00 0.00 O ATOM 544 CB THR A 39 -5.515 -10.149 9.194 1.00 0.00 C ATOM 545 OG1 THR A 39 -5.850 -9.805 10.545 1.00 0.00 O ATOM 546 CG2 THR A 39 -4.246 -10.985 9.189 1.00 0.00 C ATOM 0 H THR A 39 -7.393 -8.510 8.374 1.00 0.00 H new ATOM 0 HA THR A 39 -4.487 -8.304 8.729 1.00 0.00 H new ATOM 0 HB THR A 39 -6.324 -10.733 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.963 -10.623 11.073 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.397 -11.880 9.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.005 -11.274 8.166 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.424 -10.402 9.605 1.00 0.00 H new ATOM 554 N CYS A 40 -3.929 -8.826 6.374 1.00 0.00 N ATOM 555 CA CYS A 40 -3.484 -9.250 5.058 1.00 0.00 C ATOM 556 C CYS A 40 -2.615 -10.497 5.194 1.00 0.00 C ATOM 557 O CYS A 40 -1.730 -10.546 6.053 1.00 0.00 O ATOM 558 CB CYS A 40 -2.689 -8.139 4.351 1.00 0.00 C ATOM 559 SG CYS A 40 -3.655 -6.649 3.932 1.00 0.00 S ATOM 0 H CYS A 40 -3.299 -8.176 6.844 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.364 -9.472 4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.856 -7.846 4.990 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.261 -8.546 3.435 1.00 0.00 H new ATOM 564 N PRO A 41 -2.873 -11.526 4.378 1.00 0.00 N ATOM 565 CA PRO A 41 -2.071 -12.752 4.379 1.00 0.00 C ATOM 566 C PRO A 41 -0.609 -12.457 4.069 1.00 0.00 C ATOM 567 O PRO A 41 -0.311 -11.657 3.183 1.00 0.00 O ATOM 568 CB PRO A 41 -2.710 -13.601 3.270 1.00 0.00 C ATOM 569 CG PRO A 41 -4.087 -13.054 3.130 1.00 0.00 C ATOM 570 CD PRO A 41 -3.963 -11.584 3.397 1.00 0.00 C ATOM 0 HA PRO A 41 -2.067 -13.252 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.153 -13.519 2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.728 -14.657 3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.483 -13.239 2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.770 -13.525 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.723 -11.027 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.888 -11.165 3.794 1.00 0.00 H new ATOM 578 N GLY A 42 0.287 -13.114 4.799 1.00 0.00 N ATOM 579 CA GLY A 42 1.714 -12.858 4.683 1.00 0.00 C ATOM 580 C GLY A 42 2.223 -12.991 3.261 1.00 0.00 C ATOM 581 O GLY A 42 3.212 -12.361 2.886 1.00 0.00 O ATOM 0 H GLY A 42 0.045 -13.832 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.929 -11.854 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.256 -13.553 5.324 1.00 0.00 H new ATOM 585 N ASP A 43 1.524 -13.800 2.474 1.00 0.00 N ATOM 586 CA ASP A 43 1.857 -14.017 1.073 1.00 0.00 C ATOM 587 C ASP A 43 1.808 -12.708 0.278 1.00 0.00 C ATOM 588 O ASP A 43 2.523 -12.552 -0.714 1.00 0.00 O ATOM 589 CB ASP A 43 0.876 -15.013 0.442 1.00 0.00 C ATOM 590 CG ASP A 43 0.789 -16.328 1.191 1.00 0.00 C ATOM 591 OD1 ASP A 43 0.102 -16.373 2.233 1.00 0.00 O ATOM 592 OD2 ASP A 43 1.392 -17.318 0.728 1.00 0.00 O ATOM 0 H ASP A 43 0.709 -14.325 2.791 1.00 0.00 H new ATOM 0 HA ASP A 43 2.871 -14.416 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.115 -14.560 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.179 -15.208 -0.587 1.00 0.00 H new ATOM 597 N TYR A 44 0.966 -11.774 0.712 1.00 0.00 N ATOM 598 CA TYR A 44 0.748 -10.537 -0.033 1.00 0.00 C ATOM 599 C TYR A 44 0.716 -9.328 0.907 1.00 0.00 C ATOM 600 O TYR A 44 0.223 -8.260 0.545 1.00 0.00 O ATOM 601 CB TYR A 44 -0.579 -10.644 -0.800 1.00 0.00 C ATOM 602 CG TYR A 44 -0.569 -10.013 -2.179 1.00 0.00 C ATOM 603 CD1 TYR A 44 0.129 -10.608 -3.224 1.00 0.00 C ATOM 604 CD2 TYR A 44 -1.265 -8.838 -2.443 1.00 0.00 C ATOM 605 CE1 TYR A 44 0.131 -10.059 -4.492 1.00 0.00 C ATOM 606 CE2 TYR A 44 -1.268 -8.280 -3.712 1.00 0.00 C ATOM 607 CZ TYR A 44 -0.564 -8.893 -4.730 1.00 0.00 C ATOM 608 OH TYR A 44 -0.564 -8.342 -5.996 1.00 0.00 O ATOM 0 H TYR A 44 0.425 -11.849 1.573 1.00 0.00 H new ATOM 0 HA TYR A 44 1.572 -10.394 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.841 -11.697 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.364 -10.175 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.681 -11.518 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.811 -8.353 -1.647 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.674 -10.541 -5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.818 -7.371 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.101 -7.522 -5.996 1.00 0.00 H new ATOM 618 N ALA A 45 1.252 -9.493 2.111 1.00 0.00 N ATOM 619 CA ALA A 45 1.195 -8.435 3.115 1.00 0.00 C ATOM 620 C ALA A 45 2.480 -7.620 3.157 1.00 0.00 C ATOM 621 O ALA A 45 3.442 -7.989 3.832 1.00 0.00 O ATOM 622 CB ALA A 45 0.884 -9.015 4.485 1.00 0.00 C ATOM 0 H ALA A 45 1.728 -10.342 2.415 1.00 0.00 H new ATOM 0 HA ALA A 45 0.390 -7.758 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.846 -8.211 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.079 -9.525 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.662 -9.725 4.764 1.00 0.00 H new ATOM 628 N ASN A 46 2.487 -6.521 2.424 1.00 0.00 N ATOM 629 CA ASN A 46 3.611 -5.600 2.439 1.00 0.00 C ATOM 630 C ASN A 46 3.098 -4.202 2.740 1.00 0.00 C ATOM 631 O ASN A 46 3.302 -3.731 3.877 1.00 0.00 O ATOM 632 CB ASN A 46 4.358 -5.600 1.101 1.00 0.00 C ATOM 633 CG ASN A 46 4.692 -6.993 0.610 1.00 0.00 C ATOM 634 OD1 ASN A 46 5.733 -7.557 0.940 1.00 0.00 O ATOM 635 ND2 ASN A 46 3.812 -7.551 -0.206 1.00 0.00 N ATOM 636 OXT ASN A 46 2.464 -3.594 1.854 1.00 0.00 O ATOM 0 H ASN A 46 1.723 -6.243 1.808 1.00 0.00 H new ATOM 0 HA ASN A 46 4.312 -5.922 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.750 -5.093 0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.279 -5.027 1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.986 -8.482 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.959 -7.050 -0.456 1.00 0.00 H new TER 643 ASN A 46