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+ -140:sc= 1.83 (180deg=-0.247) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 77:sc= 0.35 USER MOD Single : A 12 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0021) USER MOD Single : A 14 ASN : amide:sc= 0.518 K(o=0.52,f=0) USER MOD Single : A 21 THR OG1 : rot 118:sc= 0.152 USER MOD Single : A 28 THR OG1 : rot 82:sc= 0.296 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -79:sc= 1.18 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= 0.00519 X(o=0.0052,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -4.684 -5.401 7.100 1.00 0.00 N ATOM 2 CA THR A 1 -3.287 -5.113 6.720 1.00 0.00 C ATOM 3 C THR A 1 -3.220 -4.499 5.325 1.00 0.00 C ATOM 4 O THR A 1 -4.251 -4.242 4.703 1.00 0.00 O ATOM 5 CB THR A 1 -2.440 -6.398 6.767 1.00 0.00 C ATOM 6 OG1 THR A 1 -3.199 -7.502 6.258 1.00 0.00 O ATOM 7 CG2 THR A 1 -1.985 -6.697 8.188 1.00 0.00 C ATOM 0 H1 THR A 1 -4.828 -5.160 8.102 1.00 0.00 H new ATOM 0 H2 THR A 1 -5.328 -4.834 6.512 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.882 -6.412 6.955 1.00 0.00 H new ATOM 0 HA THR A 1 -2.884 -4.396 7.436 1.00 0.00 H new ATOM 0 HB THR A 1 -1.556 -6.248 6.147 1.00 0.00 H new ATOM 0 HG1 THR A 1 -2.654 -8.316 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 1 -1.389 -7.609 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 1 -1.383 -5.867 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 1 -2.857 -6.829 8.829 1.00 0.00 H new ATOM 17 N THR A 2 -2.013 -4.248 4.840 1.00 0.00 N ATOM 18 CA THR A 2 -1.833 -3.605 3.553 1.00 0.00 C ATOM 19 C THR A 2 -1.427 -4.629 2.494 1.00 0.00 C ATOM 20 O THR A 2 -0.533 -5.445 2.719 1.00 0.00 O ATOM 21 CB THR A 2 -0.762 -2.507 3.661 1.00 0.00 C ATOM 22 OG1 THR A 2 -0.994 -1.734 4.845 1.00 0.00 O ATOM 23 CG2 THR A 2 -0.790 -1.591 2.451 1.00 0.00 C ATOM 0 H THR A 2 -1.144 -4.481 5.321 1.00 0.00 H new ATOM 0 HA THR A 2 -2.779 -3.154 3.254 1.00 0.00 H new ATOM 0 HB THR A 2 0.216 -2.985 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.312 -1.034 4.918 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.022 -0.825 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.600 -2.173 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.768 -1.116 2.377 1.00 0.00 H new ATOM 31 N CYS A 3 -2.094 -4.590 1.352 1.00 0.00 N ATOM 32 CA CYS A 3 -1.819 -5.522 0.269 1.00 0.00 C ATOM 33 C CYS A 3 -1.505 -4.762 -1.013 1.00 0.00 C ATOM 34 O CYS A 3 -2.394 -4.185 -1.644 1.00 0.00 O ATOM 35 CB CYS A 3 -3.014 -6.454 0.058 1.00 0.00 C ATOM 36 SG CYS A 3 -3.576 -7.298 1.574 1.00 0.00 S ATOM 0 H CYS A 3 -2.835 -3.918 1.150 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.951 -6.125 0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.843 -5.877 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.749 -7.205 -0.686 1.00 0.00 H new ATOM 41 N CYS A 4 -0.236 -4.744 -1.384 1.00 0.00 N ATOM 42 CA CYS A 4 0.205 -4.010 -2.559 1.00 0.00 C ATOM 43 C CYS A 4 0.538 -4.971 -3.696 1.00 0.00 C ATOM 44 O CYS A 4 1.068 -6.055 -3.455 1.00 0.00 O ATOM 45 CB CYS A 4 1.434 -3.160 -2.221 1.00 0.00 C ATOM 46 SG CYS A 4 1.180 -1.937 -0.890 1.00 0.00 S ATOM 0 H CYS A 4 0.510 -5.231 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.605 -3.355 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.249 -3.824 -1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.753 -2.635 -3.121 1.00 0.00 H new ATOM 51 N PRO A 5 0.206 -4.591 -4.945 1.00 0.00 N ATOM 52 CA PRO A 5 0.551 -5.366 -6.144 1.00 0.00 C ATOM 53 C PRO A 5 1.980 -5.885 -6.119 1.00 0.00 C ATOM 54 O PRO A 5 2.218 -7.090 -6.071 1.00 0.00 O ATOM 55 CB PRO A 5 0.390 -4.335 -7.252 1.00 0.00 C ATOM 56 CG PRO A 5 -0.734 -3.487 -6.783 1.00 0.00 C ATOM 57 CD PRO A 5 -0.561 -3.378 -5.291 1.00 0.00 C ATOM 0 HA PRO A 5 -0.067 -6.257 -6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.300 -3.752 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.164 -4.807 -8.208 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.707 -2.504 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.695 -3.935 -7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.024 -2.471 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.521 -3.350 -4.776 1.00 0.00 H new ATOM 65 N SER A 6 2.923 -4.965 -6.171 1.00 0.00 N ATOM 66 CA SER A 6 4.328 -5.298 -6.031 1.00 0.00 C ATOM 67 C SER A 6 4.916 -4.562 -4.828 1.00 0.00 C ATOM 68 O SER A 6 4.347 -3.569 -4.361 1.00 0.00 O ATOM 69 CB SER A 6 5.081 -4.929 -7.313 1.00 0.00 C ATOM 70 OG SER A 6 6.443 -5.322 -7.257 1.00 0.00 O ATOM 0 H SER A 6 2.739 -3.971 -6.311 1.00 0.00 H new ATOM 0 HA SER A 6 4.432 -6.371 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.600 -5.406 -8.167 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.020 -3.853 -7.473 1.00 0.00 H new ATOM 0 HG SER A 6 6.890 -5.072 -8.092 1.00 0.00 H new ATOM 76 N ILE A 7 6.051 -5.052 -4.332 1.00 0.00 N ATOM 77 CA ILE A 7 6.725 -4.453 -3.183 1.00 0.00 C ATOM 78 C ILE A 7 7.048 -2.981 -3.444 1.00 0.00 C ATOM 79 O ILE A 7 7.046 -2.162 -2.526 1.00 0.00 O ATOM 80 CB ILE A 7 8.026 -5.216 -2.839 1.00 0.00 C ATOM 81 CG1 ILE A 7 7.718 -6.691 -2.572 1.00 0.00 C ATOM 82 CG2 ILE A 7 8.721 -4.590 -1.633 1.00 0.00 C ATOM 83 CD1 ILE A 7 8.950 -7.526 -2.297 1.00 0.00 C ATOM 0 H ILE A 7 6.526 -5.870 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 7 6.043 -4.521 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 7 8.701 -5.146 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.042 -6.764 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.193 -7.106 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.633 -5.144 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.971 -3.553 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.055 -4.626 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.656 -8.560 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.618 -7.483 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.465 -7.137 -1.419 1.00 0.00 H new ATOM 95 N VAL A 8 7.297 -2.655 -4.710 1.00 0.00 N ATOM 96 CA VAL A 8 7.604 -1.284 -5.117 1.00 0.00 C ATOM 97 C VAL A 8 6.531 -0.303 -4.632 1.00 0.00 C ATOM 98 O VAL A 8 6.839 0.822 -4.225 1.00 0.00 O ATOM 99 CB VAL A 8 7.733 -1.179 -6.652 1.00 0.00 C ATOM 100 CG1 VAL A 8 8.098 0.236 -7.072 1.00 0.00 C ATOM 101 CG2 VAL A 8 8.764 -2.170 -7.174 1.00 0.00 C ATOM 0 H VAL A 8 7.292 -3.327 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 8 8.556 -1.020 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 8 6.765 -1.425 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.183 0.283 -8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.323 0.926 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.050 0.515 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.839 -2.080 -8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.734 -1.957 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.458 -3.184 -6.915 1.00 0.00 H new ATOM 111 N ALA A 9 5.277 -0.740 -4.652 1.00 0.00 N ATOM 112 CA ALA A 9 4.171 0.104 -4.222 1.00 0.00 C ATOM 113 C ALA A 9 4.242 0.369 -2.724 1.00 0.00 C ATOM 114 O ALA A 9 4.001 1.487 -2.271 1.00 0.00 O ATOM 115 CB ALA A 9 2.839 -0.534 -4.586 1.00 0.00 C ATOM 0 H ALA A 9 5.002 -1.672 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 9 4.251 1.059 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.024 0.111 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.782 -0.667 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.754 -1.504 -4.096 1.00 0.00 H new ATOM 121 N ARG A 10 4.600 -0.658 -1.959 1.00 0.00 N ATOM 122 CA ARG A 10 4.706 -0.532 -0.510 1.00 0.00 C ATOM 123 C ARG A 10 5.885 0.359 -0.138 1.00 0.00 C ATOM 124 O ARG A 10 5.793 1.186 0.776 1.00 0.00 O ATOM 125 CB ARG A 10 4.864 -1.906 0.145 1.00 0.00 C ATOM 126 CG ARG A 10 4.865 -1.852 1.666 1.00 0.00 C ATOM 127 CD ARG A 10 4.978 -3.238 2.272 1.00 0.00 C ATOM 128 NE ARG A 10 3.960 -4.144 1.744 1.00 0.00 N ATOM 129 CZ ARG A 10 2.914 -4.593 2.432 1.00 0.00 C ATOM 130 NH1 ARG A 10 2.740 -4.241 3.702 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.044 -5.402 1.841 1.00 0.00 N ATOM 0 H ARG A 10 4.821 -1.586 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 10 3.787 -0.075 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.054 -2.555 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.795 -2.358 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.696 -1.235 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.949 -1.375 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.968 -3.645 2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.878 -3.171 3.355 1.00 0.00 H new ATOM 0 HE ARG A 10 4.059 -4.455 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.411 -3.622 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.935 -4.590 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.181 -5.674 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.239 -5.752 2.360 1.00 0.00 H new ATOM 145 N SER A 11 6.990 0.191 -0.851 1.00 0.00 N ATOM 146 CA SER A 11 8.170 1.009 -0.632 1.00 0.00 C ATOM 147 C SER A 11 7.840 2.487 -0.839 1.00 0.00 C ATOM 148 O SER A 11 8.232 3.342 -0.041 1.00 0.00 O ATOM 149 CB SER A 11 9.290 0.570 -1.575 1.00 0.00 C ATOM 150 OG SER A 11 9.535 -0.821 -1.446 1.00 0.00 O ATOM 0 H SER A 11 7.092 -0.507 -1.588 1.00 0.00 H new ATOM 0 HA SER A 11 8.507 0.876 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.018 0.803 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.200 1.127 -1.352 1.00 0.00 H new ATOM 0 HG SER A 11 8.838 -1.321 -1.920 1.00 0.00 H new ATOM 156 N ASN A 12 7.085 2.777 -1.894 1.00 0.00 N ATOM 157 CA ASN A 12 6.682 4.148 -2.187 1.00 0.00 C ATOM 158 C ASN A 12 5.601 4.620 -1.220 1.00 0.00 C ATOM 159 O ASN A 12 5.531 5.803 -0.897 1.00 0.00 O ATOM 160 CB ASN A 12 6.183 4.284 -3.627 1.00 0.00 C ATOM 161 CG ASN A 12 7.310 4.393 -4.638 1.00 0.00 C ATOM 162 OD1 ASN A 12 7.808 5.484 -4.908 1.00 0.00 O ATOM 163 ND2 ASN A 12 7.713 3.270 -5.211 1.00 0.00 N ATOM 0 H ASN A 12 6.741 2.084 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 12 7.563 4.777 -2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.563 3.422 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.547 5.166 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.462 3.291 -5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.275 2.384 -4.960 1.00 0.00 H new ATOM 170 N PHE A 13 4.763 3.693 -0.762 1.00 0.00 N ATOM 171 CA PHE A 13 3.700 4.013 0.187 1.00 0.00 C ATOM 172 C PHE A 13 4.270 4.652 1.451 1.00 0.00 C ATOM 173 O PHE A 13 3.806 5.706 1.888 1.00 0.00 O ATOM 174 CB PHE A 13 2.911 2.748 0.547 1.00 0.00 C ATOM 175 CG PHE A 13 1.812 2.979 1.549 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.594 3.509 1.153 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.998 2.666 2.887 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.416 3.723 2.071 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.990 2.879 3.809 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.218 3.407 3.400 1.00 0.00 C ATOM 0 H PHE A 13 4.800 2.711 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 13 3.028 4.729 -0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.478 2.330 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.600 2.002 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.433 3.758 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.941 2.251 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.360 4.137 1.749 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.148 2.632 4.849 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.007 3.573 4.119 1.00 0.00 H new ATOM 190 N ASN A 14 5.287 4.018 2.022 1.00 0.00 N ATOM 191 CA ASN A 14 5.922 4.529 3.234 1.00 0.00 C ATOM 192 C ASN A 14 6.583 5.878 2.975 1.00 0.00 C ATOM 193 O ASN A 14 6.494 6.790 3.796 1.00 0.00 O ATOM 194 CB ASN A 14 6.948 3.531 3.781 1.00 0.00 C ATOM 195 CG ASN A 14 6.299 2.327 4.439 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.988 2.348 5.630 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.102 1.260 3.678 1.00 0.00 N ATOM 0 H ASN A 14 5.690 3.151 1.667 1.00 0.00 H new ATOM 0 HA ASN A 14 5.142 4.665 3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.590 3.193 2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.589 4.035 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.680 0.421 4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.372 1.278 2.695 1.00 0.00 H new ATOM 204 N VAL A 15 7.233 6.005 1.823 1.00 0.00 N ATOM 205 CA VAL A 15 7.854 7.267 1.430 1.00 0.00 C ATOM 206 C VAL A 15 6.800 8.358 1.276 1.00 0.00 C ATOM 207 O VAL A 15 6.989 9.485 1.721 1.00 0.00 O ATOM 208 CB VAL A 15 8.641 7.130 0.105 1.00 0.00 C ATOM 209 CG1 VAL A 15 9.175 8.480 -0.353 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.780 6.138 0.264 1.00 0.00 C ATOM 0 H VAL A 15 7.344 5.251 1.145 1.00 0.00 H new ATOM 0 HA VAL A 15 8.553 7.540 2.221 1.00 0.00 H new ATOM 0 HB VAL A 15 7.957 6.758 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.724 8.356 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.343 9.166 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.841 8.885 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.323 6.054 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.458 6.484 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.378 5.163 0.539 1.00 0.00 H new ATOM 220 N CYS A 16 5.681 7.997 0.664 1.00 0.00 N ATOM 221 CA CYS A 16 4.589 8.930 0.416 1.00 0.00 C ATOM 222 C CYS A 16 3.980 9.434 1.723 1.00 0.00 C ATOM 223 O CYS A 16 3.542 10.583 1.810 1.00 0.00 O ATOM 224 CB CYS A 16 3.512 8.249 -0.437 1.00 0.00 C ATOM 225 SG CYS A 16 2.051 9.281 -0.778 1.00 0.00 S ATOM 0 H CYS A 16 5.504 7.051 0.326 1.00 0.00 H new ATOM 0 HA CYS A 16 4.990 9.790 -0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.956 7.946 -1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.188 7.339 0.069 1.00 0.00 H new ATOM 230 N ARG A 17 3.975 8.584 2.745 1.00 0.00 N ATOM 231 CA ARG A 17 3.366 8.942 4.019 1.00 0.00 C ATOM 232 C ARG A 17 4.366 9.660 4.925 1.00 0.00 C ATOM 233 O ARG A 17 4.056 9.979 6.073 1.00 0.00 O ATOM 234 CB ARG A 17 2.816 7.698 4.723 1.00 0.00 C ATOM 235 CG ARG A 17 1.709 8.015 5.714 1.00 0.00 C ATOM 236 CD ARG A 17 1.199 6.769 6.418 1.00 0.00 C ATOM 237 NE ARG A 17 2.111 6.302 7.463 1.00 0.00 N ATOM 238 CZ ARG A 17 1.722 5.590 8.520 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.444 5.251 8.663 1.00 0.00 N ATOM 240 NH2 ARG A 17 2.607 5.224 9.436 1.00 0.00 N ATOM 0 H ARG A 17 4.383 7.650 2.716 1.00 0.00 H new ATOM 0 HA ARG A 17 2.540 9.623 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.437 7.002 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.629 7.194 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.078 8.724 6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.884 8.500 5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.224 6.978 6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.054 5.975 5.685 1.00 0.00 H new ATOM 0 HE ARG A 17 3.100 6.535 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.241 5.536 7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.149 4.706 9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.587 5.487 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.308 4.679 10.245 1.00 0.00 H new ATOM 254 N LEU A 18 5.564 9.908 4.409 1.00 0.00 N ATOM 255 CA LEU A 18 6.569 10.654 5.160 1.00 0.00 C ATOM 256 C LEU A 18 6.210 12.149 5.177 1.00 0.00 C ATOM 257 O LEU A 18 6.203 12.765 6.245 1.00 0.00 O ATOM 258 CB LEU A 18 7.977 10.405 4.583 1.00 0.00 C ATOM 259 CG LEU A 18 9.158 10.713 5.516 1.00 0.00 C ATOM 260 CD1 LEU A 18 10.427 10.057 4.991 1.00 0.00 C ATOM 261 CD2 LEU A 18 9.370 12.213 5.650 1.00 0.00 C ATOM 0 H LEU A 18 5.863 9.607 3.481 1.00 0.00 H new ATOM 0 HA LEU A 18 6.579 10.302 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.043 9.360 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.088 11.006 3.680 1.00 0.00 H new ATOM 0 HG LEU A 18 8.925 10.309 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.257 10.282 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.284 8.978 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.650 10.441 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.212 12.403 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.579 12.640 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.471 12.672 6.061 1.00 0.00 H new ATOM 273 N PRO A 19 5.900 12.770 4.012 1.00 0.00 N ATOM 274 CA PRO A 19 5.379 14.136 3.976 1.00 0.00 C ATOM 275 C PRO A 19 3.912 14.182 4.401 1.00 0.00 C ATOM 276 O PRO A 19 3.371 13.193 4.899 1.00 0.00 O ATOM 277 CB PRO A 19 5.525 14.557 2.502 1.00 0.00 C ATOM 278 CG PRO A 19 6.297 13.465 1.842 1.00 0.00 C ATOM 279 CD PRO A 19 6.038 12.233 2.652 1.00 0.00 C ATOM 0 HA PRO A 19 5.912 14.796 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.549 14.684 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.046 15.511 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.976 13.328 0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.361 13.699 1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.136 11.716 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.859 11.519 2.579 1.00 0.00 H new ATOM 287 N GLY A 20 3.268 15.321 4.207 1.00 0.00 N ATOM 288 CA GLY A 20 1.873 15.458 4.583 1.00 0.00 C ATOM 289 C GLY A 20 0.929 14.863 3.556 1.00 0.00 C ATOM 290 O GLY A 20 0.237 15.594 2.844 1.00 0.00 O ATOM 0 H GLY A 20 3.685 16.156 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.711 14.971 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.639 16.514 4.717 1.00 0.00 H new ATOM 294 N THR A 21 0.904 13.541 3.469 1.00 0.00 N ATOM 295 CA THR A 21 0.023 12.854 2.538 1.00 0.00 C ATOM 296 C THR A 21 -0.746 11.743 3.258 1.00 0.00 C ATOM 297 O THR A 21 -0.147 10.914 3.949 1.00 0.00 O ATOM 298 CB THR A 21 0.818 12.249 1.364 1.00 0.00 C ATOM 299 OG1 THR A 21 1.961 13.067 1.070 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.054 12.139 0.121 1.00 0.00 C ATOM 0 H THR A 21 1.486 12.922 4.034 1.00 0.00 H new ATOM 0 HA THR A 21 -0.680 13.587 2.142 1.00 0.00 H new ATOM 0 HB THR A 21 1.146 11.251 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.780 12.548 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.528 11.710 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.910 11.498 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.405 13.130 -0.166 1.00 0.00 H new ATOM 308 N PRO A 22 -2.086 11.734 3.133 1.00 0.00 N ATOM 309 CA PRO A 22 -2.942 10.720 3.767 1.00 0.00 C ATOM 310 C PRO A 22 -2.668 9.303 3.259 1.00 0.00 C ATOM 311 O PRO A 22 -2.241 9.104 2.119 1.00 0.00 O ATOM 312 CB PRO A 22 -4.365 11.155 3.392 1.00 0.00 C ATOM 313 CG PRO A 22 -4.243 12.586 2.990 1.00 0.00 C ATOM 314 CD PRO A 22 -2.877 12.723 2.383 1.00 0.00 C ATOM 0 HA PRO A 22 -2.765 10.670 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.760 10.549 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.047 11.039 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.018 12.859 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.357 13.245 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.886 12.508 1.315 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.481 13.732 2.502 1.00 0.00 H new ATOM 322 N GLU A 23 -2.944 8.326 4.114 1.00 0.00 N ATOM 323 CA GLU A 23 -2.688 6.920 3.817 1.00 0.00 C ATOM 324 C GLU A 23 -3.514 6.465 2.621 1.00 0.00 C ATOM 325 O GLU A 23 -2.991 5.866 1.680 1.00 0.00 O ATOM 326 CB GLU A 23 -3.032 6.038 5.028 1.00 0.00 C ATOM 327 CG GLU A 23 -2.269 6.378 6.303 1.00 0.00 C ATOM 328 CD GLU A 23 -2.633 7.736 6.871 1.00 0.00 C ATOM 329 OE1 GLU A 23 -3.806 7.935 7.248 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.749 8.615 6.927 1.00 0.00 O ATOM 0 H GLU A 23 -3.352 8.485 5.035 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.628 6.818 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.100 6.120 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.835 4.998 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.467 5.612 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.199 6.352 6.097 1.00 0.00 H new ATOM 337 N ALA A 24 -4.809 6.764 2.667 1.00 0.00 N ATOM 338 CA ALA A 24 -5.734 6.375 1.607 1.00 0.00 C ATOM 339 C ALA A 24 -5.313 6.965 0.268 1.00 0.00 C ATOM 340 O ALA A 24 -5.527 6.359 -0.784 1.00 0.00 O ATOM 341 CB ALA A 24 -7.150 6.808 1.954 1.00 0.00 C ATOM 0 H ALA A 24 -5.244 7.278 3.433 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.710 5.289 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.828 6.511 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.458 6.333 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.181 7.891 2.072 1.00 0.00 H new ATOM 347 N LEU A 25 -4.717 8.147 0.312 1.00 0.00 N ATOM 348 CA LEU A 25 -4.228 8.795 -0.888 1.00 0.00 C ATOM 349 C LEU A 25 -3.043 8.015 -1.446 1.00 0.00 C ATOM 350 O LEU A 25 -3.056 7.599 -2.601 1.00 0.00 O ATOM 351 CB LEU A 25 -3.819 10.237 -0.574 1.00 0.00 C ATOM 352 CG LEU A 25 -4.110 11.257 -1.678 1.00 0.00 C ATOM 353 CD1 LEU A 25 -3.834 12.667 -1.183 1.00 0.00 C ATOM 354 CD2 LEU A 25 -3.286 10.969 -2.925 1.00 0.00 C ATOM 0 H LEU A 25 -4.562 8.676 1.170 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.021 8.814 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.333 10.553 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.751 10.255 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.165 11.173 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.046 13.380 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.470 12.882 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.788 12.751 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.514 11.710 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.225 11.016 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.528 9.974 -3.299 1.00 0.00 H new ATOM 366 N CYS A 26 -2.038 7.796 -0.604 1.00 0.00 N ATOM 367 CA CYS A 26 -0.823 7.096 -1.016 1.00 0.00 C ATOM 368 C CYS A 26 -1.121 5.673 -1.482 1.00 0.00 C ATOM 369 O CYS A 26 -0.498 5.181 -2.425 1.00 0.00 O ATOM 370 CB CYS A 26 0.189 7.072 0.129 1.00 0.00 C ATOM 371 SG CYS A 26 0.730 8.727 0.661 1.00 0.00 S ATOM 0 H CYS A 26 -2.040 8.094 0.372 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.399 7.641 -1.860 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.251 6.552 0.980 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.061 6.496 -0.181 1.00 0.00 H new ATOM 376 N ALA A 27 -2.072 5.018 -0.825 1.00 0.00 N ATOM 377 CA ALA A 27 -2.464 3.664 -1.196 1.00 0.00 C ATOM 378 C ALA A 27 -2.986 3.621 -2.627 1.00 0.00 C ATOM 379 O ALA A 27 -2.446 2.912 -3.471 1.00 0.00 O ATOM 380 CB ALA A 27 -3.511 3.134 -0.229 1.00 0.00 C ATOM 0 H ALA A 27 -2.586 5.403 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.582 3.025 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.794 2.122 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.100 3.121 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.390 3.778 -0.255 1.00 0.00 H new ATOM 386 N THR A 28 -4.013 4.407 -2.904 1.00 0.00 N ATOM 387 CA THR A 28 -4.605 4.440 -4.234 1.00 0.00 C ATOM 388 C THR A 28 -3.616 4.997 -5.261 1.00 0.00 C ATOM 389 O THR A 28 -3.601 4.574 -6.417 1.00 0.00 O ATOM 390 CB THR A 28 -5.895 5.282 -4.233 1.00 0.00 C ATOM 391 OG1 THR A 28 -6.746 4.855 -3.160 1.00 0.00 O ATOM 392 CG2 THR A 28 -6.640 5.147 -5.553 1.00 0.00 C ATOM 0 H THR A 28 -4.455 5.030 -2.228 1.00 0.00 H new ATOM 0 HA THR A 28 -4.853 3.416 -4.514 1.00 0.00 H new ATOM 0 HB THR A 28 -5.620 6.328 -4.098 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.454 5.274 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.546 5.752 -5.523 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.002 5.489 -6.368 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.906 4.103 -5.715 1.00 0.00 H new ATOM 400 N TYR A 29 -2.770 5.922 -4.819 1.00 0.00 N ATOM 401 CA TYR A 29 -1.771 6.537 -5.687 1.00 0.00 C ATOM 402 C TYR A 29 -0.758 5.498 -6.174 1.00 0.00 C ATOM 403 O TYR A 29 -0.282 5.563 -7.308 1.00 0.00 O ATOM 404 CB TYR A 29 -1.058 7.672 -4.940 1.00 0.00 C ATOM 405 CG TYR A 29 -0.153 8.517 -5.807 1.00 0.00 C ATOM 406 CD1 TYR A 29 -0.680 9.489 -6.647 1.00 0.00 C ATOM 407 CD2 TYR A 29 1.223 8.345 -5.782 1.00 0.00 C ATOM 408 CE1 TYR A 29 0.141 10.266 -7.438 1.00 0.00 C ATOM 409 CE2 TYR A 29 2.052 9.120 -6.569 1.00 0.00 C ATOM 410 CZ TYR A 29 1.505 10.078 -7.396 1.00 0.00 C ATOM 411 OH TYR A 29 2.324 10.856 -8.182 1.00 0.00 O ATOM 0 H TYR A 29 -2.757 6.264 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.276 6.949 -6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.808 8.317 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.468 7.243 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.749 9.639 -6.682 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.653 7.593 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.284 11.018 -8.087 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.122 8.977 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 29 3.258 10.599 -8.035 1.00 0.00 H new ATOM 421 N THR A 30 -0.450 4.529 -5.321 1.00 0.00 N ATOM 422 CA THR A 30 0.499 3.481 -5.670 1.00 0.00 C ATOM 423 C THR A 30 -0.216 2.272 -6.266 1.00 0.00 C ATOM 424 O THR A 30 0.413 1.373 -6.828 1.00 0.00 O ATOM 425 CB THR A 30 1.316 3.035 -4.441 1.00 0.00 C ATOM 426 OG1 THR A 30 0.438 2.789 -3.334 1.00 0.00 O ATOM 427 CG2 THR A 30 2.342 4.089 -4.057 1.00 0.00 C ATOM 0 H THR A 30 -0.844 4.448 -4.383 1.00 0.00 H new ATOM 0 HA THR A 30 1.178 3.898 -6.414 1.00 0.00 H new ATOM 0 HB THR A 30 1.845 2.117 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.182 3.641 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.905 3.749 -3.187 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.025 4.252 -4.890 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.833 5.022 -3.818 1.00 0.00 H new ATOM 435 N GLY A 31 -1.537 2.257 -6.137 1.00 0.00 N ATOM 436 CA GLY A 31 -2.322 1.141 -6.625 1.00 0.00 C ATOM 437 C GLY A 31 -2.435 0.040 -5.591 1.00 0.00 C ATOM 438 O GLY A 31 -2.834 -1.081 -5.901 1.00 0.00 O ATOM 0 H GLY A 31 -2.080 3.002 -5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.319 1.489 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.865 0.743 -7.531 1.00 0.00 H new ATOM 442 N CYS A 32 -2.079 0.370 -4.360 1.00 0.00 N ATOM 443 CA CYS A 32 -2.119 -0.580 -3.259 1.00 0.00 C ATOM 444 C CYS A 32 -3.463 -0.484 -2.543 1.00 0.00 C ATOM 445 O CYS A 32 -4.149 0.535 -2.639 1.00 0.00 O ATOM 446 CB CYS A 32 -0.973 -0.293 -2.282 1.00 0.00 C ATOM 447 SG CYS A 32 -0.808 -1.518 -0.945 1.00 0.00 S ATOM 0 H CYS A 32 -1.755 1.300 -4.096 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.001 -1.590 -3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.037 -0.252 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.125 0.692 -1.841 1.00 0.00 H new ATOM 452 N ILE A 33 -3.851 -1.542 -1.840 1.00 0.00 N ATOM 453 CA ILE A 33 -5.112 -1.540 -1.107 1.00 0.00 C ATOM 454 C ILE A 33 -4.900 -1.897 0.358 1.00 0.00 C ATOM 455 O ILE A 33 -4.122 -2.791 0.691 1.00 0.00 O ATOM 456 CB ILE A 33 -6.148 -2.506 -1.726 1.00 0.00 C ATOM 457 CG1 ILE A 33 -5.555 -3.910 -1.893 1.00 0.00 C ATOM 458 CG2 ILE A 33 -6.640 -1.967 -3.059 1.00 0.00 C ATOM 459 CD1 ILE A 33 -6.527 -4.925 -2.460 1.00 0.00 C ATOM 0 H ILE A 33 -3.315 -2.406 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.505 -0.526 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.998 -2.580 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.685 -3.851 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.202 -4.262 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.369 -2.657 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.107 -0.994 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.798 -1.863 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.033 -5.893 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.387 -5.016 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.862 -4.598 -3.444 1.00 0.00 H new ATOM 471 N ILE A 34 -5.583 -1.175 1.231 1.00 0.00 N ATOM 472 CA ILE A 34 -5.536 -1.452 2.656 1.00 0.00 C ATOM 473 C ILE A 34 -6.825 -2.132 3.093 1.00 0.00 C ATOM 474 O ILE A 34 -7.903 -1.534 3.050 1.00 0.00 O ATOM 475 CB ILE A 34 -5.317 -0.163 3.478 1.00 0.00 C ATOM 476 CG1 ILE A 34 -4.028 0.531 3.027 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.262 -0.484 4.967 1.00 0.00 C ATOM 478 CD1 ILE A 34 -3.812 1.886 3.666 1.00 0.00 C ATOM 0 H ILE A 34 -6.180 -0.388 0.975 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.691 -2.115 2.841 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.156 0.512 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.179 -0.111 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.049 0.649 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.107 0.435 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.200 -0.945 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.439 -1.172 5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.880 2.317 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.642 2.545 3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.758 1.773 4.749 1.00 0.00 H new ATOM 490 N ILE A 35 -6.712 -3.387 3.485 1.00 0.00 N ATOM 491 CA ILE A 35 -7.871 -4.155 3.900 1.00 0.00 C ATOM 492 C ILE A 35 -8.011 -4.148 5.420 1.00 0.00 C ATOM 493 O ILE A 35 -7.013 -4.169 6.146 1.00 0.00 O ATOM 494 CB ILE A 35 -7.806 -5.616 3.399 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.524 -6.301 3.885 1.00 0.00 C ATOM 496 CG2 ILE A 35 -7.896 -5.654 1.878 1.00 0.00 C ATOM 497 CD1 ILE A 35 -6.462 -7.780 3.569 1.00 0.00 C ATOM 0 H ILE A 35 -5.829 -3.897 3.525 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.742 -3.677 3.452 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.655 -6.162 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.665 -5.806 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.438 -6.166 4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.849 -6.688 1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.838 -5.208 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.065 -5.093 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.526 -8.193 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.300 -8.289 4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.515 -7.924 2.490 1.00 0.00 H new ATOM 509 N PRO A 36 -9.257 -4.101 5.915 1.00 0.00 N ATOM 510 CA PRO A 36 -9.550 -4.139 7.351 1.00 0.00 C ATOM 511 C PRO A 36 -9.250 -5.505 7.957 1.00 0.00 C ATOM 512 O PRO A 36 -9.160 -5.651 9.175 1.00 0.00 O ATOM 513 CB PRO A 36 -11.058 -3.845 7.433 1.00 0.00 C ATOM 514 CG PRO A 36 -11.449 -3.359 6.076 1.00 0.00 C ATOM 515 CD PRO A 36 -10.485 -3.990 5.117 1.00 0.00 C ATOM 0 HA PRO A 36 -8.938 -3.427 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.617 -4.740 7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.270 -3.094 8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.475 -3.642 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.398 -2.272 6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.834 -4.964 4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.336 -3.375 4.230 1.00 0.00 H new ATOM 523 N GLY A 37 -9.106 -6.505 7.096 1.00 0.00 N ATOM 524 CA GLY A 37 -8.794 -7.844 7.552 1.00 0.00 C ATOM 525 C GLY A 37 -7.344 -7.976 7.960 1.00 0.00 C ATOM 526 O GLY A 37 -6.456 -7.425 7.309 1.00 0.00 O ATOM 0 H GLY A 37 -9.201 -6.410 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.434 -8.098 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.015 -8.558 6.759 1.00 0.00 H new ATOM 530 N ALA A 38 -7.100 -8.714 9.032 1.00 0.00 N ATOM 531 CA ALA A 38 -5.755 -8.859 9.568 1.00 0.00 C ATOM 532 C ALA A 38 -4.941 -9.874 8.772 1.00 0.00 C ATOM 533 O ALA A 38 -3.738 -10.022 8.988 1.00 0.00 O ATOM 534 CB ALA A 38 -5.815 -9.259 11.034 1.00 0.00 C ATOM 0 H ALA A 38 -7.817 -9.223 9.549 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.255 -7.895 9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.803 -9.365 11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.344 -8.491 11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.342 -10.208 11.131 1.00 0.00 H new ATOM 540 N THR A 39 -5.596 -10.572 7.853 1.00 0.00 N ATOM 541 CA THR A 39 -4.929 -11.583 7.052 1.00 0.00 C ATOM 542 C THR A 39 -4.882 -11.176 5.580 1.00 0.00 C ATOM 543 O THR A 39 -5.898 -11.200 4.886 1.00 0.00 O ATOM 544 CB THR A 39 -5.643 -12.940 7.175 1.00 0.00 C ATOM 545 OG1 THR A 39 -5.906 -13.223 8.554 1.00 0.00 O ATOM 546 CG2 THR A 39 -4.799 -14.059 6.579 1.00 0.00 C ATOM 0 H THR A 39 -6.588 -10.455 7.646 1.00 0.00 H new ATOM 0 HA THR A 39 -3.911 -11.675 7.430 1.00 0.00 H new ATOM 0 HB THR A 39 -6.581 -12.884 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.362 -14.087 8.629 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.328 -15.007 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.617 -13.855 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.847 -14.117 7.106 1.00 0.00 H new ATOM 554 N CYS A 40 -3.706 -10.782 5.121 1.00 0.00 N ATOM 555 CA CYS A 40 -3.499 -10.469 3.716 1.00 0.00 C ATOM 556 C CYS A 40 -2.986 -11.707 2.993 1.00 0.00 C ATOM 557 O CYS A 40 -2.064 -12.370 3.474 1.00 0.00 O ATOM 558 CB CYS A 40 -2.498 -9.318 3.561 1.00 0.00 C ATOM 559 SG CYS A 40 -2.223 -8.786 1.838 1.00 0.00 S ATOM 0 H CYS A 40 -2.876 -10.671 5.704 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.448 -10.158 3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.851 -8.465 4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.544 -9.622 3.991 1.00 0.00 H new ATOM 564 N PRO A 41 -3.595 -12.056 1.848 1.00 0.00 N ATOM 565 CA PRO A 41 -3.166 -13.202 1.043 1.00 0.00 C ATOM 566 C PRO A 41 -1.708 -13.077 0.620 1.00 0.00 C ATOM 567 O PRO A 41 -1.310 -12.060 0.061 1.00 0.00 O ATOM 568 CB PRO A 41 -4.087 -13.151 -0.181 1.00 0.00 C ATOM 569 CG PRO A 41 -5.272 -12.363 0.264 1.00 0.00 C ATOM 570 CD PRO A 41 -4.750 -11.363 1.253 1.00 0.00 C ATOM 0 HA PRO A 41 -3.232 -14.140 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.592 -12.676 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.376 -14.152 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.750 -11.865 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.022 -13.009 0.720 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.456 -10.432 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.499 -11.109 2.003 1.00 0.00 H new ATOM 578 N GLY A 42 -0.928 -14.121 0.880 1.00 0.00 N ATOM 579 CA GLY A 42 0.505 -14.090 0.619 1.00 0.00 C ATOM 580 C GLY A 42 0.843 -13.732 -0.814 1.00 0.00 C ATOM 581 O GLY A 42 1.898 -13.156 -1.082 1.00 0.00 O ATOM 0 H GLY A 42 -1.266 -15.000 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.974 -13.368 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.932 -15.065 0.853 1.00 0.00 H new ATOM 585 N ASP A 43 -0.049 -14.079 -1.732 1.00 0.00 N ATOM 586 CA ASP A 43 0.126 -13.759 -3.146 1.00 0.00 C ATOM 587 C ASP A 43 0.122 -12.252 -3.382 1.00 0.00 C ATOM 588 O ASP A 43 0.944 -11.725 -4.136 1.00 0.00 O ATOM 589 CB ASP A 43 -0.983 -14.412 -3.974 1.00 0.00 C ATOM 590 CG ASP A 43 -0.959 -13.972 -5.424 1.00 0.00 C ATOM 591 OD1 ASP A 43 -0.118 -14.487 -6.191 1.00 0.00 O ATOM 592 OD2 ASP A 43 -1.776 -13.106 -5.798 1.00 0.00 O ATOM 0 H ASP A 43 -0.909 -14.586 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 43 1.095 -14.150 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.879 -15.496 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.951 -14.165 -3.538 1.00 0.00 H new ATOM 597 N TYR A 44 -0.797 -11.566 -2.722 1.00 0.00 N ATOM 598 CA TYR A 44 -0.971 -10.134 -2.923 1.00 0.00 C ATOM 599 C TYR A 44 -0.234 -9.357 -1.835 1.00 0.00 C ATOM 600 O TYR A 44 -0.168 -8.130 -1.863 1.00 0.00 O ATOM 601 CB TYR A 44 -2.466 -9.783 -2.916 1.00 0.00 C ATOM 602 CG TYR A 44 -2.834 -8.620 -3.818 1.00 0.00 C ATOM 603 CD1 TYR A 44 -2.704 -7.304 -3.389 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.315 -8.840 -5.106 1.00 0.00 C ATOM 605 CE1 TYR A 44 -3.042 -6.247 -4.211 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.655 -7.785 -5.932 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.515 -6.493 -5.481 1.00 0.00 C ATOM 608 OH TYR A 44 -3.854 -5.442 -6.301 1.00 0.00 O ATOM 0 H TYR A 44 -1.436 -11.977 -2.041 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.551 -9.856 -3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.036 -10.660 -3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.768 -9.547 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.332 -7.105 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.424 -9.852 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.936 -5.231 -3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.029 -7.974 -6.927 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.169 -5.787 -7.162 1.00 0.00 H new ATOM 618 N ALA A 45 0.319 -10.080 -0.875 1.00 0.00 N ATOM 619 CA ALA A 45 1.081 -9.460 0.194 1.00 0.00 C ATOM 620 C ALA A 45 2.492 -9.138 -0.275 1.00 0.00 C ATOM 621 O ALA A 45 3.416 -9.941 -0.122 1.00 0.00 O ATOM 622 CB ALA A 45 1.116 -10.358 1.421 1.00 0.00 C ATOM 0 H ALA A 45 0.254 -11.096 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 45 0.588 -8.527 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.692 -9.874 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.099 -10.536 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.582 -11.309 1.163 1.00 0.00 H new ATOM 628 N ASN A 46 2.645 -7.969 -0.869 1.00 0.00 N ATOM 629 CA ASN A 46 3.937 -7.510 -1.346 1.00 0.00 C ATOM 630 C ASN A 46 4.306 -6.219 -0.646 1.00 0.00 C ATOM 631 O ASN A 46 5.361 -6.186 0.022 1.00 0.00 O ATOM 632 CB ASN A 46 3.920 -7.311 -2.861 1.00 0.00 C ATOM 633 CG ASN A 46 3.827 -8.622 -3.616 1.00 0.00 C ATOM 634 OD1 ASN A 46 4.843 -9.216 -3.980 1.00 0.00 O ATOM 635 ND2 ASN A 46 2.610 -9.076 -3.862 1.00 0.00 N ATOM 636 OXT ASN A 46 3.508 -5.264 -0.712 1.00 0.00 O ATOM 0 H ASN A 46 1.881 -7.313 -1.034 1.00 0.00 H new ATOM 0 HA ASN A 46 4.685 -8.269 -1.118 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.075 -6.678 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.824 -6.783 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.485 -9.951 -4.372 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.796 -8.552 -3.542 1.00 0.00 H new TER 643 ASN A 46