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+ 169:sc= 1.27 (180deg=0.974) USER MOD Single : A 1 THR OG1 : rot -178:sc= 1.17 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 68:sc= 0.247 USER MOD Single : A 12 ASN : amide:sc=-0.00372 K(o=-0.0037,f=-0.96) USER MOD Single : A 14 ASN : amide:sc= 0.993 K(o=0.99,f=0) USER MOD Single : A 21 THR OG1 : rot 128:sc= 0.664 USER MOD Single : A 28 THR OG1 : rot 78:sc= 1.01 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 83:sc= 1.34 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= -1.13! C(o=-1.1!,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -5.581 -3.622 7.367 1.00 0.00 N ATOM 2 CA THR A 1 -4.195 -3.842 6.915 1.00 0.00 C ATOM 3 C THR A 1 -4.028 -3.420 5.458 1.00 0.00 C ATOM 4 O THR A 1 -4.885 -3.703 4.614 1.00 0.00 O ATOM 5 CB THR A 1 -3.806 -5.322 7.077 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.083 -5.746 8.417 1.00 0.00 O ATOM 7 CG2 THR A 1 -2.329 -5.539 6.774 1.00 0.00 C ATOM 0 H1 THR A 1 -5.723 -4.082 8.289 1.00 0.00 H new ATOM 0 H2 THR A 1 -5.758 -2.601 7.458 1.00 0.00 H new ATOM 0 H3 THR A 1 -6.241 -4.027 6.673 1.00 0.00 H new ATOM 0 HA THR A 1 -3.537 -3.232 7.533 1.00 0.00 H new ATOM 0 HB THR A 1 -4.393 -5.908 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 1 -3.808 -6.680 8.528 1.00 0.00 H new ATOM 0 HG21 THR A 1 -2.084 -6.594 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 1 -2.119 -5.235 5.749 1.00 0.00 H new ATOM 0 HG23 THR A 1 -1.726 -4.944 7.460 1.00 0.00 H new ATOM 17 N THR A 2 -2.932 -2.726 5.175 1.00 0.00 N ATOM 18 CA THR A 2 -2.616 -2.300 3.824 1.00 0.00 C ATOM 19 C THR A 2 -1.747 -3.346 3.130 1.00 0.00 C ATOM 20 O THR A 2 -0.743 -3.804 3.682 1.00 0.00 O ATOM 21 CB THR A 2 -1.875 -0.948 3.825 1.00 0.00 C ATOM 22 OG1 THR A 2 -2.572 -0.008 4.654 1.00 0.00 O ATOM 23 CG2 THR A 2 -1.752 -0.385 2.415 1.00 0.00 C ATOM 0 H THR A 2 -2.243 -2.446 5.873 1.00 0.00 H new ATOM 0 HA THR A 2 -3.556 -2.185 3.285 1.00 0.00 H new ATOM 0 HB THR A 2 -0.873 -1.116 4.219 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.094 0.848 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.225 0.569 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.196 -1.085 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.747 -0.235 1.995 1.00 0.00 H new ATOM 31 N CYS A 3 -2.135 -3.728 1.930 1.00 0.00 N ATOM 32 CA CYS A 3 -1.402 -4.728 1.177 1.00 0.00 C ATOM 33 C CYS A 3 -1.218 -4.271 -0.260 1.00 0.00 C ATOM 34 O CYS A 3 -2.058 -3.555 -0.804 1.00 0.00 O ATOM 35 CB CYS A 3 -2.127 -6.071 1.246 1.00 0.00 C ATOM 36 SG CYS A 3 -2.303 -6.703 2.947 1.00 0.00 S ATOM 0 H CYS A 3 -2.958 -3.360 1.453 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.413 -4.856 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.116 -5.966 0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.583 -6.802 0.648 1.00 0.00 H new ATOM 41 N CYS A 4 -0.114 -4.663 -0.874 1.00 0.00 N ATOM 42 CA CYS A 4 0.241 -4.147 -2.181 1.00 0.00 C ATOM 43 C CYS A 4 1.141 -5.133 -2.908 1.00 0.00 C ATOM 44 O CYS A 4 1.944 -5.816 -2.276 1.00 0.00 O ATOM 45 CB CYS A 4 0.971 -2.814 -2.007 1.00 0.00 C ATOM 46 SG CYS A 4 0.928 -1.718 -3.458 1.00 0.00 S ATOM 0 H CYS A 4 0.549 -5.335 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.664 -4.001 -2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.535 -2.286 -1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.012 -3.017 -1.755 1.00 0.00 H new ATOM 51 N PRO A 5 0.983 -5.262 -4.232 1.00 0.00 N ATOM 52 CA PRO A 5 1.910 -6.019 -5.060 1.00 0.00 C ATOM 53 C PRO A 5 3.177 -5.226 -5.327 1.00 0.00 C ATOM 54 O PRO A 5 3.168 -3.999 -5.240 1.00 0.00 O ATOM 55 CB PRO A 5 1.152 -6.244 -6.372 1.00 0.00 C ATOM 56 CG PRO A 5 -0.227 -5.709 -6.148 1.00 0.00 C ATOM 57 CD PRO A 5 -0.117 -4.713 -5.029 1.00 0.00 C ATOM 0 HA PRO A 5 2.218 -6.948 -4.580 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.641 -5.729 -7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.123 -7.303 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.612 -5.237 -7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.918 -6.511 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.107 -3.711 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.041 -4.643 -4.454 1.00 0.00 H new ATOM 65 N SER A 6 4.237 -5.935 -5.702 1.00 0.00 N ATOM 66 CA SER A 6 5.550 -5.353 -5.925 1.00 0.00 C ATOM 67 C SER A 6 6.110 -4.661 -4.674 1.00 0.00 C ATOM 68 O SER A 6 5.493 -3.761 -4.096 1.00 0.00 O ATOM 69 CB SER A 6 5.458 -4.401 -7.102 1.00 0.00 C ATOM 70 OG SER A 6 6.631 -3.618 -7.257 1.00 0.00 O ATOM 0 H SER A 6 4.205 -6.942 -5.861 1.00 0.00 H new ATOM 0 HA SER A 6 6.256 -6.152 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.282 -4.971 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.600 -3.742 -6.967 1.00 0.00 H new ATOM 0 HG SER A 6 6.527 -3.021 -8.028 1.00 0.00 H new ATOM 76 N ILE A 7 7.305 -5.080 -4.274 1.00 0.00 N ATOM 77 CA ILE A 7 7.964 -4.524 -3.098 1.00 0.00 C ATOM 78 C ILE A 7 8.197 -3.021 -3.283 1.00 0.00 C ATOM 79 O ILE A 7 8.120 -2.236 -2.334 1.00 0.00 O ATOM 80 CB ILE A 7 9.322 -5.221 -2.841 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.139 -6.742 -2.730 1.00 0.00 C ATOM 82 CG2 ILE A 7 9.986 -4.672 -1.582 1.00 0.00 C ATOM 83 CD1 ILE A 7 8.239 -7.172 -1.590 1.00 0.00 C ATOM 0 H ILE A 7 7.840 -5.807 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 7 7.313 -4.692 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 7 9.973 -5.012 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.727 -7.117 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.117 -7.207 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.938 -5.178 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.158 -3.602 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.336 -4.844 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.160 -8.259 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.660 -6.829 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.248 -6.738 -1.725 1.00 0.00 H new ATOM 95 N VAL A 8 8.454 -2.634 -4.530 1.00 0.00 N ATOM 96 CA VAL A 8 8.738 -1.246 -4.872 1.00 0.00 C ATOM 97 C VAL A 8 7.513 -0.365 -4.643 1.00 0.00 C ATOM 98 O VAL A 8 7.633 0.787 -4.216 1.00 0.00 O ATOM 99 CB VAL A 8 9.191 -1.117 -6.345 1.00 0.00 C ATOM 100 CG1 VAL A 8 9.575 0.320 -6.675 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.349 -2.063 -6.638 1.00 0.00 C ATOM 0 H VAL A 8 8.471 -3.271 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 8 9.546 -0.912 -4.221 1.00 0.00 H new ATOM 0 HB VAL A 8 8.351 -1.396 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.890 0.382 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.716 0.972 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.394 0.635 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.652 -1.956 -7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.190 -1.820 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.034 -3.091 -6.455 1.00 0.00 H new ATOM 111 N ALA A 9 6.334 -0.911 -4.908 1.00 0.00 N ATOM 112 CA ALA A 9 5.100 -0.156 -4.760 1.00 0.00 C ATOM 113 C ALA A 9 4.851 0.197 -3.298 1.00 0.00 C ATOM 114 O ALA A 9 4.413 1.305 -2.984 1.00 0.00 O ATOM 115 CB ALA A 9 3.924 -0.926 -5.337 1.00 0.00 C ATOM 0 H ALA A 9 6.207 -1.872 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 9 5.204 0.774 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.012 -0.342 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.096 -1.113 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.819 -1.876 -4.813 1.00 0.00 H new ATOM 121 N ARG A 10 5.157 -0.738 -2.401 1.00 0.00 N ATOM 122 CA ARG A 10 5.015 -0.484 -0.971 1.00 0.00 C ATOM 123 C ARG A 10 6.019 0.577 -0.524 1.00 0.00 C ATOM 124 O ARG A 10 5.738 1.380 0.370 1.00 0.00 O ATOM 125 CB ARG A 10 5.201 -1.767 -0.152 1.00 0.00 C ATOM 126 CG ARG A 10 4.936 -1.559 1.333 1.00 0.00 C ATOM 127 CD ARG A 10 5.213 -2.809 2.153 1.00 0.00 C ATOM 128 NE ARG A 10 4.345 -3.926 1.787 1.00 0.00 N ATOM 129 CZ ARG A 10 3.347 -4.383 2.542 1.00 0.00 C ATOM 130 NH1 ARG A 10 3.022 -3.771 3.677 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.671 -5.453 2.151 1.00 0.00 N ATOM 0 H ARG A 10 5.501 -1.669 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 10 4.003 -0.119 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.530 -2.537 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.218 -2.136 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.558 -0.742 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.898 -1.257 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.254 -3.104 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.080 -2.582 3.211 1.00 0.00 H new ATOM 0 HE ARG A 10 4.515 -4.387 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.538 -2.944 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.256 -4.129 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.916 -5.920 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.905 -5.810 2.723 1.00 0.00 H new ATOM 145 N SER A 11 7.187 0.583 -1.153 1.00 0.00 N ATOM 146 CA SER A 11 8.183 1.607 -0.887 1.00 0.00 C ATOM 147 C SER A 11 7.662 2.973 -1.328 1.00 0.00 C ATOM 148 O SER A 11 7.750 3.951 -0.585 1.00 0.00 O ATOM 149 CB SER A 11 9.487 1.270 -1.608 1.00 0.00 C ATOM 150 OG SER A 11 9.970 -0.004 -1.208 1.00 0.00 O ATOM 0 H SER A 11 7.466 -0.109 -1.849 1.00 0.00 H new ATOM 0 HA SER A 11 8.379 1.642 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.325 1.280 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.235 2.032 -1.391 1.00 0.00 H new ATOM 0 HG SER A 11 9.365 -0.701 -1.537 1.00 0.00 H new ATOM 156 N ASN A 12 7.085 3.023 -2.528 1.00 0.00 N ATOM 157 CA ASN A 12 6.489 4.254 -3.047 1.00 0.00 C ATOM 158 C ASN A 12 5.381 4.741 -2.124 1.00 0.00 C ATOM 159 O ASN A 12 5.224 5.943 -1.902 1.00 0.00 O ATOM 160 CB ASN A 12 5.930 4.037 -4.457 1.00 0.00 C ATOM 161 CG ASN A 12 7.015 3.776 -5.480 1.00 0.00 C ATOM 162 OD1 ASN A 12 8.142 4.241 -5.338 1.00 0.00 O ATOM 163 ND2 ASN A 12 6.682 3.028 -6.523 1.00 0.00 N ATOM 0 H ASN A 12 7.017 2.225 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 12 7.272 5.011 -3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.238 3.195 -4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.358 4.915 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.374 2.821 -7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.734 2.660 -6.605 1.00 0.00 H new ATOM 170 N PHE A 13 4.620 3.790 -1.594 1.00 0.00 N ATOM 171 CA PHE A 13 3.576 4.079 -0.619 1.00 0.00 C ATOM 172 C PHE A 13 4.147 4.816 0.592 1.00 0.00 C ATOM 173 O PHE A 13 3.604 5.834 1.029 1.00 0.00 O ATOM 174 CB PHE A 13 2.904 2.770 -0.187 1.00 0.00 C ATOM 175 CG PHE A 13 2.037 2.889 1.033 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.784 3.469 0.958 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.483 2.418 2.259 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.009 3.577 2.082 1.00 0.00 C ATOM 179 CE2 PHE A 13 1.694 2.525 3.386 1.00 0.00 C ATOM 180 CZ PHE A 13 0.446 3.106 3.298 1.00 0.00 C ATOM 0 H PHE A 13 4.709 2.801 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 13 2.833 4.729 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.298 2.397 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.677 2.025 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.423 3.841 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.459 1.962 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.987 4.030 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.053 2.155 4.335 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.174 3.192 4.178 1.00 0.00 H new ATOM 190 N ASN A 14 5.256 4.307 1.115 1.00 0.00 N ATOM 191 CA ASN A 14 5.898 4.902 2.285 1.00 0.00 C ATOM 192 C ASN A 14 6.457 6.284 1.969 1.00 0.00 C ATOM 193 O ASN A 14 6.337 7.207 2.775 1.00 0.00 O ATOM 194 CB ASN A 14 7.011 3.993 2.817 1.00 0.00 C ATOM 195 CG ASN A 14 6.481 2.871 3.696 1.00 0.00 C ATOM 196 OD1 ASN A 14 6.330 3.044 4.907 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.200 1.717 3.107 1.00 0.00 N ATOM 0 H ASN A 14 5.731 3.482 0.748 1.00 0.00 H new ATOM 0 HA ASN A 14 5.135 5.011 3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.557 3.564 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.722 4.591 3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.846 0.936 3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.338 1.611 2.102 1.00 0.00 H new ATOM 204 N VAL A 15 7.054 6.429 0.790 1.00 0.00 N ATOM 205 CA VAL A 15 7.612 7.709 0.362 1.00 0.00 C ATOM 206 C VAL A 15 6.516 8.769 0.242 1.00 0.00 C ATOM 207 O VAL A 15 6.719 9.934 0.589 1.00 0.00 O ATOM 208 CB VAL A 15 8.358 7.581 -0.988 1.00 0.00 C ATOM 209 CG1 VAL A 15 8.901 8.926 -1.438 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.487 6.570 -0.887 1.00 0.00 C ATOM 0 H VAL A 15 7.164 5.675 0.112 1.00 0.00 H new ATOM 0 HA VAL A 15 8.327 8.018 1.125 1.00 0.00 H new ATOM 0 HB VAL A 15 7.642 7.231 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.421 8.809 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.077 9.629 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.596 9.307 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.997 6.497 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.196 6.891 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.080 5.596 -0.617 1.00 0.00 H new ATOM 220 N CYS A 16 5.352 8.350 -0.236 1.00 0.00 N ATOM 221 CA CYS A 16 4.211 9.244 -0.394 1.00 0.00 C ATOM 222 C CYS A 16 3.693 9.725 0.962 1.00 0.00 C ATOM 223 O CYS A 16 3.324 10.888 1.115 1.00 0.00 O ATOM 224 CB CYS A 16 3.087 8.540 -1.161 1.00 0.00 C ATOM 225 SG CYS A 16 1.549 9.511 -1.297 1.00 0.00 S ATOM 0 H CYS A 16 5.172 7.388 -0.524 1.00 0.00 H new ATOM 0 HA CYS A 16 4.543 10.113 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.442 8.301 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.863 7.594 -0.668 1.00 0.00 H new ATOM 230 N ARG A 17 3.686 8.828 1.944 1.00 0.00 N ATOM 231 CA ARG A 17 3.127 9.130 3.260 1.00 0.00 C ATOM 232 C ARG A 17 4.107 9.927 4.123 1.00 0.00 C ATOM 233 O ARG A 17 3.701 10.638 5.044 1.00 0.00 O ATOM 234 CB ARG A 17 2.726 7.826 3.962 1.00 0.00 C ATOM 235 CG ARG A 17 2.155 8.028 5.355 1.00 0.00 C ATOM 236 CD ARG A 17 1.529 6.755 5.895 1.00 0.00 C ATOM 237 NE ARG A 17 0.991 6.950 7.238 1.00 0.00 N ATOM 238 CZ ARG A 17 0.396 6.001 7.955 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.356 4.750 7.509 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.136 6.298 9.134 1.00 0.00 N ATOM 0 H ARG A 17 4.062 7.884 1.854 1.00 0.00 H new ATOM 0 HA ARG A 17 2.243 9.752 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.989 7.307 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.599 7.177 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.946 8.359 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.406 8.820 5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.732 6.429 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.275 5.961 5.913 1.00 0.00 H new ATOM 0 HE ARG A 17 1.077 7.877 7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.783 4.514 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.101 4.026 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.088 7.253 9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.593 5.571 9.685 1.00 0.00 H new ATOM 254 N LEU A 18 5.391 9.823 3.796 1.00 0.00 N ATOM 255 CA LEU A 18 6.461 10.450 4.579 1.00 0.00 C ATOM 256 C LEU A 18 6.227 11.950 4.849 1.00 0.00 C ATOM 257 O LEU A 18 6.305 12.378 6.001 1.00 0.00 O ATOM 258 CB LEU A 18 7.813 10.244 3.886 1.00 0.00 C ATOM 259 CG LEU A 18 9.025 10.806 4.636 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.194 10.113 5.983 1.00 0.00 C ATOM 261 CD2 LEU A 18 10.282 10.654 3.796 1.00 0.00 C ATOM 0 H LEU A 18 5.723 9.304 2.983 1.00 0.00 H new ATOM 0 HA LEU A 18 6.460 9.957 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.965 9.176 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.771 10.705 2.899 1.00 0.00 H new ATOM 0 HG LEU A 18 8.856 11.867 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.060 10.527 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.301 10.271 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.342 9.044 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.135 11.058 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.453 9.598 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.161 11.197 2.859 1.00 0.00 H new ATOM 273 N PRO A 19 5.936 12.778 3.814 1.00 0.00 N ATOM 274 CA PRO A 19 5.791 14.232 3.981 1.00 0.00 C ATOM 275 C PRO A 19 4.484 14.646 4.662 1.00 0.00 C ATOM 276 O PRO A 19 4.126 15.825 4.659 1.00 0.00 O ATOM 277 CB PRO A 19 5.820 14.778 2.545 1.00 0.00 C ATOM 278 CG PRO A 19 6.177 13.624 1.672 1.00 0.00 C ATOM 279 CD PRO A 19 5.747 12.395 2.410 1.00 0.00 C ATOM 0 HA PRO A 19 6.579 14.620 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.851 15.193 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.551 15.581 2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.674 13.695 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.248 13.604 1.472 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.710 12.137 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.352 11.529 2.142 1.00 0.00 H new ATOM 287 N GLY A 20 3.773 13.687 5.235 1.00 0.00 N ATOM 288 CA GLY A 20 2.537 13.999 5.922 1.00 0.00 C ATOM 289 C GLY A 20 1.327 13.795 5.041 1.00 0.00 C ATOM 290 O GLY A 20 0.535 14.717 4.832 1.00 0.00 O ATOM 0 H GLY A 20 4.029 12.700 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.448 13.372 6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.565 15.033 6.264 1.00 0.00 H new ATOM 294 N THR A 21 1.182 12.585 4.528 1.00 0.00 N ATOM 295 CA THR A 21 0.078 12.256 3.649 1.00 0.00 C ATOM 296 C THR A 21 -0.627 11.000 4.151 1.00 0.00 C ATOM 297 O THR A 21 0.031 10.014 4.484 1.00 0.00 O ATOM 298 CB THR A 21 0.573 12.028 2.206 1.00 0.00 C ATOM 299 OG1 THR A 21 1.578 12.999 1.877 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.576 12.136 1.211 1.00 0.00 C ATOM 0 H THR A 21 1.821 11.811 4.708 1.00 0.00 H new ATOM 0 HA THR A 21 -0.620 13.093 3.649 1.00 0.00 H new ATOM 0 HB THR A 21 0.994 11.024 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.376 12.542 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.200 11.971 0.201 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.331 11.385 1.444 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.020 13.129 1.275 1.00 0.00 H new ATOM 308 N PRO A 22 -1.967 11.030 4.242 1.00 0.00 N ATOM 309 CA PRO A 22 -2.761 9.891 4.718 1.00 0.00 C ATOM 310 C PRO A 22 -2.473 8.614 3.929 1.00 0.00 C ATOM 311 O PRO A 22 -2.372 8.636 2.697 1.00 0.00 O ATOM 312 CB PRO A 22 -4.215 10.340 4.516 1.00 0.00 C ATOM 313 CG PRO A 22 -4.147 11.541 3.631 1.00 0.00 C ATOM 314 CD PRO A 22 -2.817 12.177 3.896 1.00 0.00 C ATOM 0 HA PRO A 22 -2.529 9.643 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.809 9.549 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.686 10.582 5.469 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.242 11.258 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.960 12.233 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.442 12.708 3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.870 12.900 4.710 1.00 0.00 H new ATOM 322 N GLU A 23 -2.349 7.504 4.648 1.00 0.00 N ATOM 323 CA GLU A 23 -1.967 6.232 4.044 1.00 0.00 C ATOM 324 C GLU A 23 -2.984 5.766 3.005 1.00 0.00 C ATOM 325 O GLU A 23 -2.607 5.232 1.966 1.00 0.00 O ATOM 326 CB GLU A 23 -1.772 5.161 5.122 1.00 0.00 C ATOM 327 CG GLU A 23 -3.000 4.890 5.976 1.00 0.00 C ATOM 328 CD GLU A 23 -2.706 3.932 7.115 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.657 2.707 6.878 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.513 4.400 8.256 1.00 0.00 O ATOM 0 H GLU A 23 -2.508 7.459 5.654 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.020 6.389 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.468 4.231 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.953 5.465 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.373 5.830 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.791 4.476 5.351 1.00 0.00 H new ATOM 337 N ALA A 24 -4.266 5.988 3.276 1.00 0.00 N ATOM 338 CA ALA A 24 -5.325 5.544 2.374 1.00 0.00 C ATOM 339 C ALA A 24 -5.218 6.244 1.023 1.00 0.00 C ATOM 340 O ALA A 24 -5.409 5.625 -0.028 1.00 0.00 O ATOM 341 CB ALA A 24 -6.691 5.788 2.996 1.00 0.00 C ATOM 0 H ALA A 24 -4.597 6.472 4.111 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.206 4.473 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.468 5.451 2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.769 5.235 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.817 6.853 3.192 1.00 0.00 H new ATOM 347 N LEU A 25 -4.901 7.533 1.060 1.00 0.00 N ATOM 348 CA LEU A 25 -4.718 8.317 -0.149 1.00 0.00 C ATOM 349 C LEU A 25 -3.549 7.768 -0.961 1.00 0.00 C ATOM 350 O LEU A 25 -3.681 7.498 -2.156 1.00 0.00 O ATOM 351 CB LEU A 25 -4.468 9.784 0.227 1.00 0.00 C ATOM 352 CG LEU A 25 -4.994 10.820 -0.767 1.00 0.00 C ATOM 353 CD1 LEU A 25 -4.877 12.219 -0.181 1.00 0.00 C ATOM 354 CD2 LEU A 25 -4.249 10.744 -2.094 1.00 0.00 C ATOM 0 H LEU A 25 -4.765 8.058 1.924 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.618 8.254 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.925 9.974 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.395 9.932 0.345 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.044 10.598 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.255 12.947 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.461 12.279 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.831 12.435 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.647 11.493 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.188 10.932 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.378 9.752 -2.527 1.00 0.00 H new ATOM 366 N CYS A 26 -2.414 7.587 -0.300 1.00 0.00 N ATOM 367 CA CYS A 26 -1.210 7.118 -0.971 1.00 0.00 C ATOM 368 C CYS A 26 -1.363 5.689 -1.473 1.00 0.00 C ATOM 369 O CYS A 26 -0.878 5.360 -2.552 1.00 0.00 O ATOM 370 CB CYS A 26 0.001 7.228 -0.045 1.00 0.00 C ATOM 371 SG CYS A 26 0.479 8.944 0.334 1.00 0.00 S ATOM 0 H CYS A 26 -2.302 7.758 0.699 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.051 7.759 -1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.217 6.707 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.847 6.718 -0.506 1.00 0.00 H new ATOM 376 N ALA A 27 -2.046 4.849 -0.701 1.00 0.00 N ATOM 377 CA ALA A 27 -2.284 3.467 -1.103 1.00 0.00 C ATOM 378 C ALA A 27 -3.063 3.418 -2.409 1.00 0.00 C ATOM 379 O ALA A 27 -2.705 2.691 -3.332 1.00 0.00 O ATOM 380 CB ALA A 27 -3.033 2.713 -0.016 1.00 0.00 C ATOM 0 H ALA A 27 -2.443 5.100 0.204 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.318 2.986 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.200 1.685 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.444 2.717 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.992 3.197 0.167 1.00 0.00 H new ATOM 386 N THR A 28 -4.117 4.215 -2.489 1.00 0.00 N ATOM 387 CA THR A 28 -4.937 4.280 -3.688 1.00 0.00 C ATOM 388 C THR A 28 -4.153 4.914 -4.841 1.00 0.00 C ATOM 389 O THR A 28 -4.415 4.645 -6.015 1.00 0.00 O ATOM 390 CB THR A 28 -6.220 5.089 -3.421 1.00 0.00 C ATOM 391 OG1 THR A 28 -6.851 4.609 -2.227 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.192 4.975 -4.586 1.00 0.00 C ATOM 0 H THR A 28 -4.425 4.828 -1.734 1.00 0.00 H new ATOM 0 HA THR A 28 -5.213 3.263 -3.967 1.00 0.00 H new ATOM 0 HB THR A 28 -5.944 6.137 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.378 4.959 -1.443 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.089 5.556 -4.370 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.721 5.358 -5.492 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.464 3.930 -4.732 1.00 0.00 H new ATOM 400 N TYR A 29 -3.173 5.737 -4.490 1.00 0.00 N ATOM 401 CA TYR A 29 -2.359 6.432 -5.475 1.00 0.00 C ATOM 402 C TYR A 29 -1.304 5.497 -6.072 1.00 0.00 C ATOM 403 O TYR A 29 -0.980 5.591 -7.255 1.00 0.00 O ATOM 404 CB TYR A 29 -1.690 7.654 -4.832 1.00 0.00 C ATOM 405 CG TYR A 29 -0.946 8.536 -5.810 1.00 0.00 C ATOM 406 CD1 TYR A 29 -1.625 9.459 -6.593 1.00 0.00 C ATOM 407 CD2 TYR A 29 0.434 8.447 -5.951 1.00 0.00 C ATOM 408 CE1 TYR A 29 -0.953 10.266 -7.490 1.00 0.00 C ATOM 409 CE2 TYR A 29 1.114 9.251 -6.846 1.00 0.00 C ATOM 410 CZ TYR A 29 0.415 10.159 -7.613 1.00 0.00 C ATOM 411 OH TYR A 29 1.089 10.962 -8.509 1.00 0.00 O ATOM 0 H TYR A 29 -2.923 5.940 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.007 6.767 -6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.452 8.249 -4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.995 7.313 -4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.697 9.548 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.984 7.737 -5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.498 10.978 -8.092 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.186 9.169 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 29 2.048 10.762 -8.471 1.00 0.00 H new ATOM 421 N THR A 30 -0.774 4.591 -5.255 1.00 0.00 N ATOM 422 CA THR A 30 0.260 3.668 -5.703 1.00 0.00 C ATOM 423 C THR A 30 -0.337 2.403 -6.320 1.00 0.00 C ATOM 424 O THR A 30 0.355 1.655 -7.009 1.00 0.00 O ATOM 425 CB THR A 30 1.198 3.282 -4.544 1.00 0.00 C ATOM 426 OG1 THR A 30 0.428 2.921 -3.392 1.00 0.00 O ATOM 427 CG2 THR A 30 2.127 4.433 -4.192 1.00 0.00 C ATOM 0 H THR A 30 -1.045 4.478 -4.278 1.00 0.00 H new ATOM 0 HA THR A 30 0.834 4.187 -6.470 1.00 0.00 H new ATOM 0 HB THR A 30 1.801 2.432 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.149 1.985 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.779 4.136 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.732 4.691 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.536 5.298 -3.891 1.00 0.00 H new ATOM 435 N GLY A 31 -1.620 2.170 -6.070 1.00 0.00 N ATOM 436 CA GLY A 31 -2.279 0.994 -6.608 1.00 0.00 C ATOM 437 C GLY A 31 -2.357 -0.128 -5.595 1.00 0.00 C ATOM 438 O GLY A 31 -2.511 -1.295 -5.954 1.00 0.00 O ATOM 0 H GLY A 31 -2.216 2.774 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.285 1.259 -6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.740 0.649 -7.490 1.00 0.00 H new ATOM 442 N CYS A 32 -2.263 0.236 -4.326 1.00 0.00 N ATOM 443 CA CYS A 32 -2.313 -0.725 -3.236 1.00 0.00 C ATOM 444 C CYS A 32 -3.741 -0.843 -2.710 1.00 0.00 C ATOM 445 O CYS A 32 -4.578 0.021 -2.974 1.00 0.00 O ATOM 446 CB CYS A 32 -1.373 -0.275 -2.116 1.00 0.00 C ATOM 447 SG CYS A 32 0.330 0.055 -2.677 1.00 0.00 S ATOM 0 H CYS A 32 -2.150 1.203 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.994 -1.702 -3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.776 0.627 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.349 -1.043 -1.343 1.00 0.00 H new ATOM 452 N ILE A 33 -4.025 -1.908 -1.974 1.00 0.00 N ATOM 453 CA ILE A 33 -5.357 -2.114 -1.428 1.00 0.00 C ATOM 454 C ILE A 33 -5.325 -2.121 0.094 1.00 0.00 C ATOM 455 O ILE A 33 -4.364 -2.594 0.707 1.00 0.00 O ATOM 456 CB ILE A 33 -5.995 -3.431 -1.931 1.00 0.00 C ATOM 457 CG1 ILE A 33 -5.125 -4.637 -1.561 1.00 0.00 C ATOM 458 CG2 ILE A 33 -6.211 -3.373 -3.436 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.760 -5.970 -1.895 1.00 0.00 C ATOM 0 H ILE A 33 -3.353 -2.640 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.968 -1.282 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.963 -3.549 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.170 -4.559 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.909 -4.605 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.660 -4.306 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.874 -2.542 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.253 -3.229 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.087 -6.777 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.701 -6.071 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.950 -6.024 -2.967 1.00 0.00 H new ATOM 471 N ILE A 34 -6.363 -1.571 0.700 1.00 0.00 N ATOM 472 CA ILE A 34 -6.500 -1.589 2.147 1.00 0.00 C ATOM 473 C ILE A 34 -7.755 -2.349 2.529 1.00 0.00 C ATOM 474 O ILE A 34 -8.862 -1.971 2.142 1.00 0.00 O ATOM 475 CB ILE A 34 -6.563 -0.165 2.741 1.00 0.00 C ATOM 476 CG1 ILE A 34 -5.278 0.598 2.416 1.00 0.00 C ATOM 477 CG2 ILE A 34 -6.788 -0.224 4.249 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.301 2.043 2.858 1.00 0.00 C ATOM 0 H ILE A 34 -7.127 -1.104 0.210 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.618 -2.082 2.556 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.404 0.364 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.437 0.095 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.105 0.559 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.830 0.788 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.728 -0.736 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.968 -0.767 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.357 2.519 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.121 2.562 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.442 2.091 3.938 1.00 0.00 H new ATOM 490 N ILE A 35 -7.588 -3.432 3.260 1.00 0.00 N ATOM 491 CA ILE A 35 -8.726 -4.215 3.705 1.00 0.00 C ATOM 492 C ILE A 35 -8.858 -4.133 5.218 1.00 0.00 C ATOM 493 O ILE A 35 -7.854 -4.030 5.927 1.00 0.00 O ATOM 494 CB ILE A 35 -8.627 -5.698 3.276 1.00 0.00 C ATOM 495 CG1 ILE A 35 -7.430 -6.384 3.938 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.524 -5.803 1.763 1.00 0.00 C ATOM 497 CD1 ILE A 35 -7.397 -7.882 3.720 1.00 0.00 C ATOM 0 H ILE A 35 -6.681 -3.790 3.558 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.610 -3.791 3.228 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.533 -6.207 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.510 -5.948 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.451 -6.181 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.455 -6.852 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.408 -5.359 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.635 -5.274 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.523 -8.303 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.300 -8.330 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.345 -8.093 2.652 1.00 0.00 H new ATOM 509 N PRO A 36 -10.099 -4.142 5.730 1.00 0.00 N ATOM 510 CA PRO A 36 -10.366 -4.161 7.172 1.00 0.00 C ATOM 511 C PRO A 36 -9.866 -5.447 7.818 1.00 0.00 C ATOM 512 O PRO A 36 -9.672 -5.508 9.034 1.00 0.00 O ATOM 513 CB PRO A 36 -11.896 -4.071 7.267 1.00 0.00 C ATOM 514 CG PRO A 36 -12.335 -3.564 5.937 1.00 0.00 C ATOM 515 CD PRO A 36 -11.341 -4.101 4.947 1.00 0.00 C ATOM 0 HA PRO A 36 -9.856 -3.351 7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.336 -5.044 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.203 -3.398 8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.344 -3.904 5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.354 -2.474 5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.624 -5.089 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.249 -3.455 4.074 1.00 0.00 H new ATOM 523 N GLY A 37 -9.664 -6.470 6.989 1.00 0.00 N ATOM 524 CA GLY A 37 -9.132 -7.729 7.466 1.00 0.00 C ATOM 525 C GLY A 37 -7.726 -7.581 8.006 1.00 0.00 C ATOM 526 O GLY A 37 -6.993 -6.670 7.612 1.00 0.00 O ATOM 0 H GLY A 37 -9.862 -6.444 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.781 -8.124 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.134 -8.455 6.653 1.00 0.00 H new ATOM 530 N ALA A 38 -7.346 -8.479 8.898 1.00 0.00 N ATOM 531 CA ALA A 38 -6.064 -8.388 9.575 1.00 0.00 C ATOM 532 C ALA A 38 -4.926 -8.894 8.697 1.00 0.00 C ATOM 533 O ALA A 38 -3.789 -8.433 8.815 1.00 0.00 O ATOM 534 CB ALA A 38 -6.106 -9.162 10.880 1.00 0.00 C ATOM 0 H ALA A 38 -7.910 -9.284 9.171 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.874 -7.336 9.787 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.140 -9.087 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.881 -8.747 11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.328 -10.209 10.675 1.00 0.00 H new ATOM 540 N THR A 39 -5.230 -9.832 7.812 1.00 0.00 N ATOM 541 CA THR A 39 -4.213 -10.415 6.953 1.00 0.00 C ATOM 542 C THR A 39 -4.738 -10.617 5.534 1.00 0.00 C ATOM 543 O THR A 39 -5.861 -11.079 5.336 1.00 0.00 O ATOM 544 CB THR A 39 -3.719 -11.762 7.528 1.00 0.00 C ATOM 545 OG1 THR A 39 -3.241 -11.566 8.866 1.00 0.00 O ATOM 546 CG2 THR A 39 -2.604 -12.355 6.678 1.00 0.00 C ATOM 0 H THR A 39 -6.169 -10.204 7.671 1.00 0.00 H new ATOM 0 HA THR A 39 -3.376 -9.718 6.914 1.00 0.00 H new ATOM 0 HB THR A 39 -4.558 -12.458 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.929 -12.421 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.280 -13.302 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.970 -12.525 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.762 -11.663 6.648 1.00 0.00 H new ATOM 554 N CYS A 40 -3.923 -10.252 4.555 1.00 0.00 N ATOM 555 CA CYS A 40 -4.269 -10.435 3.151 1.00 0.00 C ATOM 556 C CYS A 40 -3.685 -11.746 2.642 1.00 0.00 C ATOM 557 O CYS A 40 -2.834 -12.342 3.301 1.00 0.00 O ATOM 558 CB CYS A 40 -3.707 -9.282 2.317 1.00 0.00 C ATOM 559 SG CYS A 40 -4.106 -7.624 2.943 1.00 0.00 S ATOM 0 H CYS A 40 -3.010 -9.824 4.708 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.355 -10.455 3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.623 -9.384 2.265 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.085 -9.371 1.298 1.00 0.00 H new ATOM 564 N PRO A 41 -4.146 -12.236 1.479 1.00 0.00 N ATOM 565 CA PRO A 41 -3.490 -13.351 0.798 1.00 0.00 C ATOM 566 C PRO A 41 -2.037 -13.002 0.486 1.00 0.00 C ATOM 567 O PRO A 41 -1.764 -11.979 -0.148 1.00 0.00 O ATOM 568 CB PRO A 41 -4.299 -13.520 -0.492 1.00 0.00 C ATOM 569 CG PRO A 41 -5.620 -12.898 -0.203 1.00 0.00 C ATOM 570 CD PRO A 41 -5.345 -11.772 0.755 1.00 0.00 C ATOM 0 HA PRO A 41 -3.464 -14.261 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.808 -13.030 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.407 -14.572 -0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.086 -12.529 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.306 -13.624 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.162 -10.833 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.184 -11.603 1.430 1.00 0.00 H new ATOM 578 N GLY A 42 -1.117 -13.852 0.924 1.00 0.00 N ATOM 579 CA GLY A 42 0.303 -13.554 0.814 1.00 0.00 C ATOM 580 C GLY A 42 0.776 -13.441 -0.620 1.00 0.00 C ATOM 581 O GLY A 42 1.828 -12.862 -0.895 1.00 0.00 O ATOM 0 H GLY A 42 -1.329 -14.751 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.514 -12.620 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.872 -14.335 1.318 1.00 0.00 H new ATOM 585 N ASP A 43 -0.009 -13.985 -1.534 1.00 0.00 N ATOM 586 CA ASP A 43 0.315 -13.951 -2.949 1.00 0.00 C ATOM 587 C ASP A 43 0.207 -12.526 -3.479 1.00 0.00 C ATOM 588 O ASP A 43 0.951 -12.120 -4.372 1.00 0.00 O ATOM 589 CB ASP A 43 -0.631 -14.872 -3.723 1.00 0.00 C ATOM 590 CG ASP A 43 -0.855 -16.188 -3.007 1.00 0.00 C ATOM 591 OD1 ASP A 43 -0.071 -17.135 -3.219 1.00 0.00 O ATOM 592 OD2 ASP A 43 -1.808 -16.272 -2.205 1.00 0.00 O ATOM 0 H ASP A 43 -0.885 -14.461 -1.317 1.00 0.00 H new ATOM 0 HA ASP A 43 1.339 -14.299 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.588 -14.370 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.220 -15.064 -4.714 1.00 0.00 H new ATOM 597 N TYR A 44 -0.712 -11.762 -2.902 1.00 0.00 N ATOM 598 CA TYR A 44 -0.948 -10.389 -3.326 1.00 0.00 C ATOM 599 C TYR A 44 -0.308 -9.418 -2.334 1.00 0.00 C ATOM 600 O TYR A 44 -0.310 -8.206 -2.537 1.00 0.00 O ATOM 601 CB TYR A 44 -2.458 -10.134 -3.430 1.00 0.00 C ATOM 602 CG TYR A 44 -2.837 -8.987 -4.349 1.00 0.00 C ATOM 603 CD1 TYR A 44 -3.000 -9.196 -5.712 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.044 -7.703 -3.854 1.00 0.00 C ATOM 605 CE1 TYR A 44 -3.357 -8.162 -6.557 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.399 -6.663 -4.695 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.555 -6.899 -6.044 1.00 0.00 C ATOM 608 OH TYR A 44 -3.908 -5.867 -6.886 1.00 0.00 O ATOM 0 H TYR A 44 -1.309 -12.073 -2.135 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.496 -10.230 -4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.944 -11.043 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.849 -9.930 -2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.845 -10.184 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.926 -7.515 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.480 -8.343 -7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.553 -5.671 -4.296 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.011 -5.042 -6.367 1.00 0.00 H new ATOM 618 N ALA A 45 0.241 -9.963 -1.258 1.00 0.00 N ATOM 619 CA ALA A 45 0.851 -9.150 -0.219 1.00 0.00 C ATOM 620 C ALA A 45 2.372 -9.146 -0.348 1.00 0.00 C ATOM 621 O ALA A 45 3.041 -10.111 0.021 1.00 0.00 O ATOM 622 CB ALA A 45 0.436 -9.649 1.158 1.00 0.00 C ATOM 0 H ALA A 45 0.276 -10.967 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 45 0.499 -8.126 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.901 -9.030 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.648 -9.592 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.758 -10.683 1.282 1.00 0.00 H new ATOM 628 N ASN A 46 2.904 -8.069 -0.899 1.00 0.00 N ATOM 629 CA ASN A 46 4.343 -7.901 -1.024 1.00 0.00 C ATOM 630 C ASN A 46 4.817 -6.817 -0.072 1.00 0.00 C ATOM 631 O ASN A 46 5.593 -7.134 0.848 1.00 0.00 O ATOM 632 CB ASN A 46 4.727 -7.560 -2.465 1.00 0.00 C ATOM 633 CG ASN A 46 4.521 -8.727 -3.416 1.00 0.00 C ATOM 634 OD1 ASN A 46 4.191 -8.543 -4.588 1.00 0.00 O ATOM 635 ND2 ASN A 46 4.716 -9.940 -2.922 1.00 0.00 N ATOM 636 OXT ASN A 46 4.365 -5.664 -0.209 1.00 0.00 O ATOM 0 H ASN A 46 2.357 -7.292 -1.270 1.00 0.00 H new ATOM 0 HA ASN A 46 4.831 -8.840 -0.762 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.134 -6.711 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.772 -7.251 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.593 -10.759 -3.517 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.989 -10.055 -1.946 1.00 0.00 H new TER 643 ASN A 46