USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-8.92e-05 K(o=-8.9e-05,f=-0.68) USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.925 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.119 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.017) USER MOD Single : A 18 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.42) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0166 USER MOD Single : A 21 ASN : amide:sc= -0.387 K(o=-0.39,f=-3.5!) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0347 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -6.89! C(o=-6.9!,f=-8.1!) USER MOD Single : B 4 GLN : amide:sc= -0.05 K(o=-0.05,f=-2.5!) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -6.17! C(o=-9.6!,f=-6.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -2.63! USER MOD Single : B 27 THR OG1 : rot -101:sc= -0.446! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0547 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.796 4.207 3.844 1.00 0.00 N ATOM 2 CA GLY A 1 -1.387 5.574 3.296 1.00 0.00 C ATOM 3 C GLY A 1 0.053 5.860 3.039 1.00 0.00 C ATOM 4 O GLY A 1 0.497 6.988 3.126 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.829 4.176 3.964 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.502 3.464 3.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.336 4.050 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.922 5.724 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.750 6.328 3.994 1.00 0.00 H new ATOM 10 N ILE A 2 0.819 4.853 2.718 1.00 0.00 N ATOM 11 CA ILE A 2 2.268 5.075 2.450 1.00 0.00 C ATOM 12 C ILE A 2 2.431 5.872 1.155 1.00 0.00 C ATOM 13 O ILE A 2 3.419 6.553 0.959 1.00 0.00 O ATOM 14 CB ILE A 2 2.972 3.727 2.310 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.467 3.955 2.076 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.382 2.970 1.122 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.219 2.634 2.251 1.00 0.00 C ATOM 0 H ILE A 2 0.504 3.887 2.630 1.00 0.00 H new ATOM 0 HA ILE A 2 2.709 5.631 3.277 1.00 0.00 H new ATOM 0 HB ILE A 2 2.831 3.145 3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.633 4.350 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.847 4.697 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.882 2.007 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.316 2.809 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.525 3.552 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.284 2.797 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.063 2.258 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.846 1.905 1.531 1.00 0.00 H new ATOM 29 N VAL A 3 1.475 5.783 0.268 1.00 0.00 N ATOM 30 CA VAL A 3 1.578 6.527 -1.025 1.00 0.00 C ATOM 31 C VAL A 3 2.169 7.913 -0.789 1.00 0.00 C ATOM 32 O VAL A 3 3.132 8.292 -1.411 1.00 0.00 O ATOM 33 CB VAL A 3 0.199 6.687 -1.670 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.275 5.336 -2.192 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.804 7.231 -0.646 1.00 0.00 C ATOM 0 H VAL A 3 0.627 5.228 0.382 1.00 0.00 H new ATOM 0 HA VAL A 3 2.225 5.954 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 3 0.270 7.392 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.257 5.448 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.432 4.964 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.340 4.629 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.781 7.341 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.880 6.538 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.465 8.202 -0.284 1.00 0.00 H new ATOM 45 N GLU A 4 1.603 8.679 0.096 1.00 0.00 N ATOM 46 CA GLU A 4 2.153 10.039 0.341 1.00 0.00 C ATOM 47 C GLU A 4 3.521 9.920 1.015 1.00 0.00 C ATOM 48 O GLU A 4 4.438 10.659 0.715 1.00 0.00 O ATOM 49 CB GLU A 4 1.201 10.824 1.247 1.00 0.00 C ATOM 50 CG GLU A 4 -0.204 10.813 0.640 1.00 0.00 C ATOM 51 CD GLU A 4 -1.035 11.942 1.254 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.198 11.939 2.463 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.492 12.788 0.505 1.00 0.00 O ATOM 0 H GLU A 4 0.790 8.426 0.657 1.00 0.00 H new ATOM 0 HA GLU A 4 2.260 10.564 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.182 10.382 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.552 11.850 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.145 10.937 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.684 9.852 0.825 1.00 0.00 H new ATOM 60 N GLN A 5 3.668 8.996 1.923 1.00 0.00 N ATOM 61 CA GLN A 5 4.979 8.834 2.614 1.00 0.00 C ATOM 62 C GLN A 5 6.087 8.634 1.579 1.00 0.00 C ATOM 63 O GLN A 5 7.203 9.079 1.758 1.00 0.00 O ATOM 64 CB GLN A 5 4.921 7.618 3.538 1.00 0.00 C ATOM 65 CG GLN A 5 5.703 7.913 4.819 1.00 0.00 C ATOM 66 CD GLN A 5 5.167 7.040 5.956 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.599 5.992 5.717 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.325 7.429 7.191 1.00 0.00 N ATOM 0 H GLN A 5 2.939 8.346 2.217 1.00 0.00 H new ATOM 0 HA GLN A 5 5.190 9.729 3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.885 7.380 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.340 6.746 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.764 7.716 4.664 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.610 8.967 5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.802 8.308 7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.972 6.854 7.956 1.00 0.00 H new ATOM 77 N CYS A 6 5.790 7.963 0.501 1.00 0.00 N ATOM 78 CA CYS A 6 6.832 7.733 -0.540 1.00 0.00 C ATOM 79 C CYS A 6 6.572 8.644 -1.735 1.00 0.00 C ATOM 80 O CYS A 6 7.482 9.192 -2.324 1.00 0.00 O ATOM 81 CB CYS A 6 6.782 6.272 -0.991 1.00 0.00 C ATOM 82 SG CYS A 6 8.009 5.316 -0.069 1.00 0.00 S ATOM 0 H CYS A 6 4.874 7.565 0.296 1.00 0.00 H new ATOM 0 HA CYS A 6 7.815 7.955 -0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.786 5.862 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.980 6.203 -2.061 1.00 0.00 H new ATOM 87 N CYS A 7 5.338 8.803 -2.096 1.00 0.00 N ATOM 88 CA CYS A 7 5.000 9.672 -3.256 1.00 0.00 C ATOM 89 C CYS A 7 5.150 11.141 -2.858 1.00 0.00 C ATOM 90 O CYS A 7 5.413 11.992 -3.684 1.00 0.00 O ATOM 91 CB CYS A 7 3.560 9.397 -3.695 1.00 0.00 C ATOM 92 SG CYS A 7 3.409 9.698 -5.474 1.00 0.00 S ATOM 0 H CYS A 7 4.539 8.367 -1.636 1.00 0.00 H new ATOM 0 HA CYS A 7 5.676 9.456 -4.083 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.288 8.367 -3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.871 10.039 -3.146 1.00 0.00 H new ATOM 97 N THR A 8 4.993 11.447 -1.600 1.00 0.00 N ATOM 98 CA THR A 8 5.138 12.862 -1.156 1.00 0.00 C ATOM 99 C THR A 8 6.490 13.035 -0.469 1.00 0.00 C ATOM 100 O THR A 8 7.191 14.004 -0.676 1.00 0.00 O ATOM 101 CB THR A 8 4.016 13.213 -0.176 1.00 0.00 C ATOM 102 OG1 THR A 8 2.774 12.759 -0.697 1.00 0.00 O ATOM 103 CG2 THR A 8 3.969 14.728 0.020 1.00 0.00 C ATOM 0 H THR A 8 4.771 10.780 -0.861 1.00 0.00 H new ATOM 0 HA THR A 8 5.078 13.524 -2.020 1.00 0.00 H new ATOM 0 HB THR A 8 4.203 12.730 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.040 13.240 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.170 14.980 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.923 15.073 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.781 15.213 -0.938 1.00 0.00 H new ATOM 111 N SER A 9 6.856 12.091 0.344 1.00 0.00 N ATOM 112 CA SER A 9 8.162 12.171 1.055 1.00 0.00 C ATOM 113 C SER A 9 8.987 10.922 0.736 1.00 0.00 C ATOM 114 O SER A 9 8.796 10.285 -0.281 1.00 0.00 O ATOM 115 CB SER A 9 7.919 12.249 2.563 1.00 0.00 C ATOM 116 OG SER A 9 8.581 13.392 3.087 1.00 0.00 O ATOM 0 H SER A 9 6.304 11.259 0.550 1.00 0.00 H new ATOM 0 HA SER A 9 8.702 13.060 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.850 12.308 2.768 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.288 11.346 3.050 1.00 0.00 H new ATOM 0 HG SER A 9 8.426 13.446 4.053 1.00 0.00 H new ATOM 122 N ILE A 10 9.900 10.564 1.596 1.00 0.00 N ATOM 123 CA ILE A 10 10.732 9.353 1.339 1.00 0.00 C ATOM 124 C ILE A 10 10.455 8.305 2.418 1.00 0.00 C ATOM 125 O ILE A 10 10.095 8.627 3.533 1.00 0.00 O ATOM 126 CB ILE A 10 12.220 9.728 1.377 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.601 10.533 0.129 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.065 8.457 1.431 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.145 11.979 0.304 1.00 0.00 C ATOM 0 H ILE A 10 10.106 11.057 2.465 1.00 0.00 H new ATOM 0 HA ILE A 10 10.481 8.950 0.358 1.00 0.00 H new ATOM 0 HB ILE A 10 12.405 10.336 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.679 10.496 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.136 10.097 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.122 8.723 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.811 7.889 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.866 7.850 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.414 12.555 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.064 12.006 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.631 12.410 1.179 1.00 0.00 H new ATOM 141 N CYS A 11 10.633 7.052 2.097 1.00 0.00 N ATOM 142 CA CYS A 11 10.391 5.983 3.110 1.00 0.00 C ATOM 143 C CYS A 11 11.625 5.082 3.192 1.00 0.00 C ATOM 144 O CYS A 11 12.158 4.653 2.188 1.00 0.00 O ATOM 145 CB CYS A 11 9.173 5.138 2.715 1.00 0.00 C ATOM 146 SG CYS A 11 7.996 6.143 1.773 1.00 0.00 S ATOM 0 H CYS A 11 10.935 6.722 1.180 1.00 0.00 H new ATOM 0 HA CYS A 11 10.200 6.447 4.077 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.492 4.283 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.691 4.741 3.608 1.00 0.00 H new ATOM 151 N SER A 12 12.085 4.791 4.377 1.00 0.00 N ATOM 152 CA SER A 12 13.284 3.917 4.517 1.00 0.00 C ATOM 153 C SER A 12 12.869 2.453 4.356 1.00 0.00 C ATOM 154 O SER A 12 11.775 2.066 4.716 1.00 0.00 O ATOM 155 CB SER A 12 13.906 4.119 5.899 1.00 0.00 C ATOM 156 OG SER A 12 12.907 4.581 6.800 1.00 0.00 O ATOM 0 H SER A 12 11.683 5.120 5.255 1.00 0.00 H new ATOM 0 HA SER A 12 14.013 4.177 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.332 3.183 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.722 4.839 5.842 1.00 0.00 H new ATOM 0 HG SER A 12 13.302 4.710 7.688 1.00 0.00 H new ATOM 162 N LEU A 13 13.733 1.636 3.816 1.00 0.00 N ATOM 163 CA LEU A 13 13.385 0.198 3.636 1.00 0.00 C ATOM 164 C LEU A 13 12.707 -0.322 4.904 1.00 0.00 C ATOM 165 O LEU A 13 11.651 -0.921 4.852 1.00 0.00 O ATOM 166 CB LEU A 13 14.659 -0.609 3.370 1.00 0.00 C ATOM 167 CG LEU A 13 15.182 -0.292 1.969 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.148 0.891 2.039 1.00 0.00 C ATOM 169 CD2 LEU A 13 15.915 -1.514 1.411 1.00 0.00 C ATOM 0 H LEU A 13 14.663 1.902 3.492 1.00 0.00 H new ATOM 0 HA LEU A 13 12.707 0.091 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.417 -0.368 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.452 -1.675 3.459 1.00 0.00 H new ATOM 0 HG LEU A 13 14.345 -0.039 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.520 1.116 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.628 1.762 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 13 16.985 0.639 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.288 -1.289 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.751 -1.766 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.228 -2.359 1.360 1.00 0.00 H new ATOM 181 N TYR A 14 13.299 -0.092 6.045 1.00 0.00 N ATOM 182 CA TYR A 14 12.676 -0.568 7.310 1.00 0.00 C ATOM 183 C TYR A 14 11.188 -0.224 7.282 1.00 0.00 C ATOM 184 O TYR A 14 10.343 -1.045 7.580 1.00 0.00 O ATOM 185 CB TYR A 14 13.341 0.124 8.502 1.00 0.00 C ATOM 186 CG TYR A 14 12.536 -0.139 9.751 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.803 -1.273 10.531 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.521 0.749 10.131 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.055 -1.518 11.690 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.774 0.505 11.291 1.00 0.00 C ATOM 191 CZ TYR A 14 11.041 -0.629 12.071 1.00 0.00 C ATOM 192 OH TYR A 14 10.305 -0.870 13.214 1.00 0.00 O ATOM 0 H TYR A 14 14.184 0.403 6.154 1.00 0.00 H new ATOM 0 HA TYR A 14 12.807 -1.646 7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.359 -0.245 8.628 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.411 1.197 8.321 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.585 -1.958 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.314 1.622 9.530 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.260 -2.392 12.290 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.993 1.190 11.584 1.00 0.00 H new ATOM 0 HH TYR A 14 9.644 -0.157 13.334 1.00 0.00 H new ATOM 202 N GLN A 15 10.863 0.983 6.915 1.00 0.00 N ATOM 203 CA GLN A 15 9.430 1.382 6.851 1.00 0.00 C ATOM 204 C GLN A 15 8.773 0.683 5.661 1.00 0.00 C ATOM 205 O GLN A 15 7.660 0.204 5.744 1.00 0.00 O ATOM 206 CB GLN A 15 9.320 2.898 6.668 1.00 0.00 C ATOM 207 CG GLN A 15 9.435 3.591 8.026 1.00 0.00 C ATOM 208 CD GLN A 15 8.070 3.592 8.717 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.863 2.883 9.682 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.124 4.367 8.262 1.00 0.00 N ATOM 0 H GLN A 15 11.528 1.712 6.656 1.00 0.00 H new ATOM 0 HA GLN A 15 8.931 1.095 7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.106 3.251 6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.368 3.149 6.200 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.168 3.077 8.647 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.789 4.614 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.298 4.962 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.211 4.378 8.716 1.00 0.00 H new ATOM 219 N LEU A 16 9.460 0.624 4.554 1.00 0.00 N ATOM 220 CA LEU A 16 8.885 -0.041 3.353 1.00 0.00 C ATOM 221 C LEU A 16 8.744 -1.538 3.616 1.00 0.00 C ATOM 222 O LEU A 16 7.966 -2.221 2.980 1.00 0.00 O ATOM 223 CB LEU A 16 9.815 0.180 2.159 1.00 0.00 C ATOM 224 CG LEU A 16 9.001 0.656 0.958 1.00 0.00 C ATOM 225 CD1 LEU A 16 8.863 2.177 1.006 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.712 0.251 -0.335 1.00 0.00 C ATOM 0 H LEU A 16 10.397 1.009 4.430 1.00 0.00 H new ATOM 0 HA LEU A 16 7.904 0.382 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.577 0.918 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.336 -0.746 1.914 1.00 0.00 H new ATOM 0 HG LEU A 16 8.012 0.199 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.282 2.517 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.356 2.467 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.853 2.633 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.130 0.591 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.702 0.707 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.811 -0.834 -0.371 1.00 0.00 H new ATOM 238 N GLU A 17 9.493 -2.055 4.548 1.00 0.00 N ATOM 239 CA GLU A 17 9.402 -3.511 4.846 1.00 0.00 C ATOM 240 C GLU A 17 8.175 -3.781 5.711 1.00 0.00 C ATOM 241 O GLU A 17 7.695 -4.893 5.795 1.00 0.00 O ATOM 242 CB GLU A 17 10.663 -3.970 5.579 1.00 0.00 C ATOM 243 CG GLU A 17 11.852 -3.937 4.618 1.00 0.00 C ATOM 244 CD GLU A 17 13.090 -4.502 5.318 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.021 -5.625 5.787 1.00 0.00 O ATOM 246 OE2 GLU A 17 14.086 -3.799 5.373 1.00 0.00 O ATOM 0 H GLU A 17 10.162 -1.535 5.115 1.00 0.00 H new ATOM 0 HA GLU A 17 9.312 -4.064 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.855 -3.323 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.524 -4.979 5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.628 -4.521 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.041 -2.914 4.291 1.00 0.00 H new ATOM 253 N ASN A 18 7.647 -2.768 6.337 1.00 0.00 N ATOM 254 CA ASN A 18 6.435 -2.966 7.174 1.00 0.00 C ATOM 255 C ASN A 18 5.224 -3.122 6.251 1.00 0.00 C ATOM 256 O ASN A 18 4.106 -3.293 6.697 1.00 0.00 O ATOM 257 CB ASN A 18 6.235 -1.743 8.068 1.00 0.00 C ATOM 258 CG ASN A 18 6.807 -2.025 9.459 1.00 0.00 C ATOM 259 OD1 ASN A 18 6.531 -3.053 10.046 1.00 0.00 O ATOM 260 ND2 ASN A 18 7.600 -1.150 10.015 1.00 0.00 N ATOM 0 H ASN A 18 8.003 -1.813 6.305 1.00 0.00 H new ATOM 0 HA ASN A 18 6.549 -3.855 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.728 -0.875 7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.174 -1.503 8.142 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.988 -1.329 10.941 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.832 -0.287 9.523 1.00 0.00 H new ATOM 267 N TYR A 19 5.440 -3.047 4.964 1.00 0.00 N ATOM 268 CA TYR A 19 4.317 -3.171 4.004 1.00 0.00 C ATOM 269 C TYR A 19 4.374 -4.534 3.311 1.00 0.00 C ATOM 270 O TYR A 19 3.470 -4.916 2.592 1.00 0.00 O ATOM 271 CB TYR A 19 4.450 -2.054 2.973 1.00 0.00 C ATOM 272 CG TYR A 19 4.203 -0.728 3.660 1.00 0.00 C ATOM 273 CD1 TYR A 19 5.270 -0.038 4.253 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.907 -0.191 3.719 1.00 0.00 C ATOM 275 CE1 TYR A 19 5.045 1.183 4.900 1.00 0.00 C ATOM 276 CE2 TYR A 19 2.685 1.031 4.367 1.00 0.00 C ATOM 277 CZ TYR A 19 3.754 1.719 4.957 1.00 0.00 C ATOM 278 OH TYR A 19 3.533 2.922 5.596 1.00 0.00 O ATOM 0 H TYR A 19 6.356 -2.904 4.539 1.00 0.00 H new ATOM 0 HA TYR A 19 3.363 -3.090 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.444 -2.069 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.734 -2.199 2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.268 -0.449 4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.082 -0.720 3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.869 1.712 5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.688 1.444 4.412 1.00 0.00 H new ATOM 0 HH TYR A 19 2.582 3.151 5.543 1.00 0.00 H new ATOM 288 N CYS A 20 5.430 -5.270 3.520 1.00 0.00 N ATOM 289 CA CYS A 20 5.542 -6.606 2.873 1.00 0.00 C ATOM 290 C CYS A 20 4.700 -7.619 3.652 1.00 0.00 C ATOM 291 O CYS A 20 4.573 -7.538 4.857 1.00 0.00 O ATOM 292 CB CYS A 20 7.004 -7.054 2.868 1.00 0.00 C ATOM 293 SG CYS A 20 8.075 -5.657 2.450 1.00 0.00 S ATOM 0 H CYS A 20 6.219 -5.004 4.110 1.00 0.00 H new ATOM 0 HA CYS A 20 5.181 -6.543 1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.275 -7.451 3.846 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.144 -7.859 2.147 1.00 0.00 H new ATOM 298 N ASN A 21 4.124 -8.574 2.973 1.00 0.00 N ATOM 299 CA ASN A 21 3.291 -9.589 3.677 1.00 0.00 C ATOM 300 C ASN A 21 4.151 -10.811 4.011 1.00 0.00 C ATOM 301 O ASN A 21 5.364 -10.683 3.981 1.00 0.00 O ATOM 302 CB ASN A 21 2.131 -10.014 2.774 1.00 0.00 C ATOM 303 CG ASN A 21 0.861 -10.167 3.612 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.877 -9.952 4.807 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.251 -10.530 3.030 1.00 0.00 N ATOM 306 OXT ASN A 21 3.580 -11.852 4.293 1.00 0.00 O ATOM 0 H ASN A 21 4.194 -8.695 1.963 1.00 0.00 H new ATOM 0 HA ASN A 21 2.896 -9.159 4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.975 -9.272 1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.368 -10.956 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.104 -10.632 3.579 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.266 -10.711 2.026 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 18.844 0.814 -1.675 1.00 0.00 N ATOM 315 CA PHE B 1 18.067 2.083 -1.766 1.00 0.00 C ATOM 316 C PHE B 1 18.595 3.079 -0.731 1.00 0.00 C ATOM 317 O PHE B 1 19.029 2.705 0.340 1.00 0.00 O ATOM 318 CB PHE B 1 16.590 1.797 -1.492 1.00 0.00 C ATOM 319 CG PHE B 1 15.899 1.430 -2.785 1.00 0.00 C ATOM 320 CD1 PHE B 1 15.629 2.419 -3.740 1.00 0.00 C ATOM 321 CD2 PHE B 1 15.528 0.101 -3.027 1.00 0.00 C ATOM 322 CE1 PHE B 1 14.989 2.077 -4.939 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.888 -0.240 -4.225 1.00 0.00 C ATOM 324 CZ PHE B 1 14.618 0.748 -5.182 1.00 0.00 C ATOM 0 H1 PHE B 1 18.220 0.009 -1.886 1.00 0.00 H new ATOM 0 H2 PHE B 1 19.626 0.836 -2.361 1.00 0.00 H new ATOM 0 H3 PHE B 1 19.229 0.711 -0.714 1.00 0.00 H new ATOM 0 HA PHE B 1 18.176 2.505 -2.765 1.00 0.00 H new ATOM 0 HB2 PHE B 1 16.494 0.984 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE B 1 16.115 2.673 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE B 1 15.914 3.444 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE B 1 15.736 -0.660 -2.290 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.782 2.839 -5.676 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.602 -1.265 -4.412 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.124 0.485 -6.106 1.00 0.00 H new ATOM 336 N VAL B 2 18.560 4.347 -1.041 1.00 0.00 N ATOM 337 CA VAL B 2 19.059 5.366 -0.075 1.00 0.00 C ATOM 338 C VAL B 2 18.105 6.562 -0.059 1.00 0.00 C ATOM 339 O VAL B 2 18.301 7.532 -0.763 1.00 0.00 O ATOM 340 CB VAL B 2 20.453 5.830 -0.498 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.420 4.646 -0.458 1.00 0.00 C ATOM 342 CG2 VAL B 2 20.391 6.388 -1.922 1.00 0.00 C ATOM 0 H VAL B 2 18.207 4.721 -1.922 1.00 0.00 H new ATOM 0 HA VAL B 2 19.110 4.928 0.922 1.00 0.00 H new ATOM 0 HB VAL B 2 20.801 6.606 0.184 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.414 4.977 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.463 4.245 0.555 1.00 0.00 H new ATOM 0 HG13 VAL B 2 21.074 3.870 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL B 2 21.384 6.720 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL B 2 20.044 5.611 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL B 2 19.701 7.232 -1.953 1.00 0.00 H new ATOM 352 N ASN B 3 17.073 6.496 0.737 1.00 0.00 N ATOM 353 CA ASN B 3 16.100 7.624 0.799 1.00 0.00 C ATOM 354 C ASN B 3 15.602 7.944 -0.609 1.00 0.00 C ATOM 355 O ASN B 3 16.302 8.529 -1.411 1.00 0.00 O ATOM 356 CB ASN B 3 16.774 8.860 1.401 1.00 0.00 C ATOM 357 CG ASN B 3 15.829 10.058 1.304 1.00 0.00 C ATOM 358 OD1 ASN B 3 15.002 10.265 2.170 1.00 0.00 O ATOM 359 ND2 ASN B 3 15.918 10.863 0.280 1.00 0.00 N ATOM 0 H ASN B 3 16.861 5.708 1.349 1.00 0.00 H new ATOM 0 HA ASN B 3 15.256 7.338 1.427 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.035 8.673 2.443 1.00 0.00 H new ATOM 0 HB3 ASN B 3 17.703 9.073 0.873 1.00 0.00 H new ATOM 0 HD21 ASN B 3 15.293 11.666 0.207 1.00 0.00 H new ATOM 0 HD22 ASN B 3 16.612 10.689 -0.447 1.00 0.00 H new ATOM 366 N GLN B 4 14.400 7.548 -0.917 1.00 0.00 N ATOM 367 CA GLN B 4 13.861 7.809 -2.274 1.00 0.00 C ATOM 368 C GLN B 4 12.337 7.974 -2.211 1.00 0.00 C ATOM 369 O GLN B 4 11.697 7.605 -1.244 1.00 0.00 O ATOM 370 CB GLN B 4 14.217 6.616 -3.155 1.00 0.00 C ATOM 371 CG GLN B 4 13.352 6.609 -4.419 1.00 0.00 C ATOM 372 CD GLN B 4 13.889 5.566 -5.400 1.00 0.00 C ATOM 373 OE1 GLN B 4 15.045 5.197 -5.341 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.092 5.070 -6.307 1.00 0.00 N ATOM 0 H GLN B 4 13.769 7.055 -0.286 1.00 0.00 H new ATOM 0 HA GLN B 4 14.288 8.725 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.271 6.659 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.069 5.689 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.317 6.383 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.358 7.596 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.121 5.379 -6.357 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.440 4.373 -6.966 1.00 0.00 H new ATOM 383 N HIS B 5 11.758 8.522 -3.249 1.00 0.00 N ATOM 384 CA HIS B 5 10.285 8.711 -3.280 1.00 0.00 C ATOM 385 C HIS B 5 9.666 7.628 -4.166 1.00 0.00 C ATOM 386 O HIS B 5 10.213 7.261 -5.186 1.00 0.00 O ATOM 387 CB HIS B 5 9.967 10.088 -3.867 1.00 0.00 C ATOM 388 CG HIS B 5 10.971 11.098 -3.379 1.00 0.00 C ATOM 389 ND1 HIS B 5 12.314 11.216 -3.609 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 10.599 12.144 -2.561 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 12.783 12.328 -2.942 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 11.709 12.858 -2.322 1.00 0.00 N flip ATOM 0 H HIS B 5 12.251 8.848 -4.081 1.00 0.00 H new ATOM 0 HA HIS B 5 9.879 8.642 -2.271 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.985 10.042 -4.956 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.961 10.393 -3.577 1.00 0.00 H new ATOM 0 HD2 HIS B 5 9.607 12.348 -2.186 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.798 12.697 -2.921 1.00 0.00 H new ATOM 0 HE2 HIS B 5 11.737 13.697 -1.743 1.00 0.00 H new ATOM 400 N LEU B 6 8.534 7.109 -3.783 1.00 0.00 N ATOM 401 CA LEU B 6 7.887 6.044 -4.602 1.00 0.00 C ATOM 402 C LEU B 6 6.409 6.381 -4.819 1.00 0.00 C ATOM 403 O LEU B 6 5.931 7.412 -4.391 1.00 0.00 O ATOM 404 CB LEU B 6 8.015 4.707 -3.871 1.00 0.00 C ATOM 405 CG LEU B 6 9.426 4.587 -3.293 1.00 0.00 C ATOM 406 CD1 LEU B 6 9.487 3.406 -2.325 1.00 0.00 C ATOM 407 CD2 LEU B 6 10.426 4.363 -4.429 1.00 0.00 C ATOM 0 H LEU B 6 8.028 7.375 -2.939 1.00 0.00 H new ATOM 0 HA LEU B 6 8.378 5.978 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU B 6 7.275 4.642 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.818 3.883 -4.557 1.00 0.00 H new ATOM 0 HG LEU B 6 9.676 5.505 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU B 6 10.494 3.323 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU B 6 8.776 3.564 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU B 6 9.235 2.488 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU B 6 11.432 4.278 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.173 3.446 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.387 5.206 -5.119 1.00 0.00 H new ATOM 419 N CYS B 7 5.682 5.524 -5.485 1.00 0.00 N ATOM 420 CA CYS B 7 4.238 5.807 -5.731 1.00 0.00 C ATOM 421 C CYS B 7 3.579 4.601 -6.391 1.00 0.00 C ATOM 422 O CYS B 7 4.071 4.084 -7.371 1.00 0.00 O ATOM 423 CB CYS B 7 4.097 6.999 -6.673 1.00 0.00 C ATOM 424 SG CYS B 7 2.646 7.976 -6.201 1.00 0.00 S ATOM 0 H CYS B 7 6.024 4.643 -5.868 1.00 0.00 H new ATOM 0 HA CYS B 7 3.760 6.022 -4.776 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.994 7.617 -6.631 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.996 6.653 -7.702 1.00 0.00 H new ATOM 429 N GLY B 8 2.459 4.175 -5.874 1.00 0.00 N ATOM 430 CA GLY B 8 1.733 3.018 -6.474 1.00 0.00 C ATOM 431 C GLY B 8 2.712 1.961 -6.981 1.00 0.00 C ATOM 432 O GLY B 8 3.075 1.048 -6.270 1.00 0.00 O ATOM 0 H GLY B 8 2.011 4.583 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.068 2.577 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.107 3.364 -7.297 1.00 0.00 H new ATOM 436 N SER B 9 3.137 2.075 -8.210 1.00 0.00 N ATOM 437 CA SER B 9 4.085 1.068 -8.766 1.00 0.00 C ATOM 438 C SER B 9 5.425 1.177 -8.048 1.00 0.00 C ATOM 439 O SER B 9 5.869 0.243 -7.419 1.00 0.00 O ATOM 440 CB SER B 9 4.282 1.318 -10.261 1.00 0.00 C ATOM 441 OG SER B 9 3.708 0.245 -10.997 1.00 0.00 O ATOM 0 H SER B 9 2.869 2.821 -8.852 1.00 0.00 H new ATOM 0 HA SER B 9 3.676 0.068 -8.619 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.817 2.261 -10.548 1.00 0.00 H new ATOM 0 HB3 SER B 9 5.344 1.404 -10.490 1.00 0.00 H new ATOM 0 HG SER B 9 3.831 0.403 -11.956 1.00 0.00 H new ATOM 447 N ASP B 10 6.071 2.308 -8.125 1.00 0.00 N ATOM 448 CA ASP B 10 7.379 2.452 -7.424 1.00 0.00 C ATOM 449 C ASP B 10 7.226 1.890 -6.013 1.00 0.00 C ATOM 450 O ASP B 10 8.159 1.376 -5.429 1.00 0.00 O ATOM 451 CB ASP B 10 7.769 3.929 -7.360 1.00 0.00 C ATOM 452 CG ASP B 10 8.773 4.239 -8.471 1.00 0.00 C ATOM 453 OD1 ASP B 10 8.605 3.712 -9.558 1.00 0.00 O ATOM 454 OD2 ASP B 10 9.693 4.999 -8.216 1.00 0.00 O ATOM 0 H ASP B 10 5.754 3.131 -8.637 1.00 0.00 H new ATOM 0 HA ASP B 10 8.159 1.911 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP B 10 6.884 4.555 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.204 4.160 -6.387 1.00 0.00 H new ATOM 459 N LEU B 11 6.038 1.960 -5.473 1.00 0.00 N ATOM 460 CA LEU B 11 5.804 1.401 -4.116 1.00 0.00 C ATOM 461 C LEU B 11 5.795 -0.121 -4.229 1.00 0.00 C ATOM 462 O LEU B 11 6.505 -0.812 -3.523 1.00 0.00 O ATOM 463 CB LEU B 11 4.456 1.893 -3.583 1.00 0.00 C ATOM 464 CG LEU B 11 4.656 3.217 -2.848 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.295 3.857 -2.570 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.377 2.959 -1.523 1.00 0.00 C ATOM 0 H LEU B 11 5.221 2.381 -5.916 1.00 0.00 H new ATOM 0 HA LEU B 11 6.587 1.723 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.753 2.023 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.026 1.152 -2.910 1.00 0.00 H new ATOM 0 HG LEU B 11 5.254 3.888 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.438 4.802 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.779 4.040 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.697 3.186 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.521 3.903 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.778 2.288 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.347 2.502 -1.719 1.00 0.00 H new ATOM 478 N VAL B 12 5.021 -0.650 -5.140 1.00 0.00 N ATOM 479 CA VAL B 12 4.997 -2.121 -5.329 1.00 0.00 C ATOM 480 C VAL B 12 6.345 -2.534 -5.928 1.00 0.00 C ATOM 481 O VAL B 12 6.721 -3.689 -5.923 1.00 0.00 O ATOM 482 CB VAL B 12 3.837 -2.509 -6.272 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.710 -1.485 -6.168 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.311 -2.574 -7.728 1.00 0.00 C ATOM 0 H VAL B 12 4.406 -0.122 -5.759 1.00 0.00 H new ATOM 0 HA VAL B 12 4.839 -2.632 -4.379 1.00 0.00 H new ATOM 0 HB VAL B 12 3.477 -3.492 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.898 -1.769 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.341 -1.453 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.085 -0.501 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.475 -2.849 -8.371 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.695 -1.599 -8.029 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.101 -3.320 -7.821 1.00 0.00 H new ATOM 494 N GLU B 13 7.071 -1.576 -6.442 1.00 0.00 N ATOM 495 CA GLU B 13 8.395 -1.857 -7.045 1.00 0.00 C ATOM 496 C GLU B 13 9.438 -1.833 -5.933 1.00 0.00 C ATOM 497 O GLU B 13 10.182 -2.774 -5.741 1.00 0.00 O ATOM 498 CB GLU B 13 8.691 -0.776 -8.082 1.00 0.00 C ATOM 499 CG GLU B 13 8.458 -1.342 -9.483 1.00 0.00 C ATOM 500 CD GLU B 13 8.866 -0.302 -10.529 1.00 0.00 C ATOM 501 OE1 GLU B 13 10.018 0.100 -10.518 1.00 0.00 O ATOM 502 OE2 GLU B 13 8.019 0.074 -11.322 1.00 0.00 O ATOM 0 H GLU B 13 6.792 -0.595 -6.467 1.00 0.00 H new ATOM 0 HA GLU B 13 8.412 -2.832 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.049 0.089 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.721 -0.433 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.037 -2.256 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.408 -1.608 -9.609 1.00 0.00 H new ATOM 509 N ALA B 14 9.472 -0.778 -5.166 1.00 0.00 N ATOM 510 CA ALA B 14 10.437 -0.732 -4.040 1.00 0.00 C ATOM 511 C ALA B 14 10.124 -1.927 -3.146 1.00 0.00 C ATOM 512 O ALA B 14 10.981 -2.726 -2.830 1.00 0.00 O ATOM 513 CB ALA B 14 10.253 0.569 -3.255 1.00 0.00 C ATOM 0 H ALA B 14 8.878 0.045 -5.271 1.00 0.00 H new ATOM 0 HA ALA B 14 11.466 -0.769 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.963 0.599 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.427 1.419 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.237 0.616 -2.862 1.00 0.00 H new ATOM 519 N LEU B 15 8.878 -2.066 -2.774 1.00 0.00 N ATOM 520 CA LEU B 15 8.461 -3.216 -1.939 1.00 0.00 C ATOM 521 C LEU B 15 8.883 -4.504 -2.642 1.00 0.00 C ATOM 522 O LEU B 15 9.441 -5.404 -2.046 1.00 0.00 O ATOM 523 CB LEU B 15 6.939 -3.188 -1.817 1.00 0.00 C ATOM 524 CG LEU B 15 6.527 -2.199 -0.730 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.372 -1.334 -1.238 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.075 -2.971 0.510 1.00 0.00 C ATOM 0 H LEU B 15 8.128 -1.420 -3.020 1.00 0.00 H new ATOM 0 HA LEU B 15 8.920 -3.165 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.494 -2.902 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.566 -4.183 -1.577 1.00 0.00 H new ATOM 0 HG LEU B 15 7.374 -1.562 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.078 -0.628 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.690 -0.786 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.524 -1.971 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.780 -2.268 1.289 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.227 -3.606 0.254 1.00 0.00 H new ATOM 0 HD23 LEU B 15 6.896 -3.590 0.872 1.00 0.00 H new ATOM 538 N TYR B 16 8.613 -4.582 -3.916 1.00 0.00 N ATOM 539 CA TYR B 16 8.981 -5.789 -4.710 1.00 0.00 C ATOM 540 C TYR B 16 10.334 -6.330 -4.257 1.00 0.00 C ATOM 541 O TYR B 16 10.481 -7.496 -3.952 1.00 0.00 O ATOM 542 CB TYR B 16 9.096 -5.387 -6.178 1.00 0.00 C ATOM 543 CG TYR B 16 8.086 -6.145 -7.001 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.918 -7.523 -6.810 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.317 -5.470 -7.957 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.978 -8.226 -7.575 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.377 -6.172 -8.723 1.00 0.00 C ATOM 548 CZ TYR B 16 6.207 -7.550 -8.531 1.00 0.00 C ATOM 549 OH TYR B 16 5.281 -8.243 -9.285 1.00 0.00 O ATOM 0 H TYR B 16 8.145 -3.849 -4.449 1.00 0.00 H new ATOM 0 HA TYR B 16 8.218 -6.555 -4.569 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.932 -4.315 -6.284 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.102 -5.593 -6.542 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.513 -8.043 -6.074 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.448 -4.408 -8.104 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.847 -9.288 -7.428 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.784 -5.652 -9.461 1.00 0.00 H new ATOM 0 HH TYR B 16 4.831 -7.626 -9.899 1.00 0.00 H new ATOM 559 N LEU B 17 11.328 -5.493 -4.239 1.00 0.00 N ATOM 560 CA LEU B 17 12.685 -5.947 -3.839 1.00 0.00 C ATOM 561 C LEU B 17 12.770 -6.105 -2.317 1.00 0.00 C ATOM 562 O LEU B 17 13.065 -7.171 -1.814 1.00 0.00 O ATOM 563 CB LEU B 17 13.704 -4.910 -4.311 1.00 0.00 C ATOM 564 CG LEU B 17 14.991 -5.606 -4.758 1.00 0.00 C ATOM 565 CD1 LEU B 17 14.662 -6.674 -5.802 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.932 -4.570 -5.374 1.00 0.00 C ATOM 0 H LEU B 17 11.259 -4.506 -4.486 1.00 0.00 H new ATOM 0 HA LEU B 17 12.895 -6.915 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.289 -4.330 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.921 -4.209 -3.505 1.00 0.00 H new ATOM 0 HG LEU B 17 15.469 -6.076 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU B 17 15.580 -7.168 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.985 -7.410 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.186 -6.206 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.852 -5.059 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.449 -4.105 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU B 17 16.167 -3.806 -4.633 1.00 0.00 H new ATOM 578 N VAL B 18 12.529 -5.056 -1.578 1.00 0.00 N ATOM 579 CA VAL B 18 12.614 -5.165 -0.087 1.00 0.00 C ATOM 580 C VAL B 18 11.726 -6.311 0.401 1.00 0.00 C ATOM 581 O VAL B 18 12.022 -6.965 1.380 1.00 0.00 O ATOM 582 CB VAL B 18 12.156 -3.864 0.576 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.365 -2.957 0.815 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.151 -3.142 -0.322 1.00 0.00 C ATOM 0 H VAL B 18 12.279 -4.134 -1.935 1.00 0.00 H new ATOM 0 HA VAL B 18 13.652 -5.358 0.183 1.00 0.00 H new ATOM 0 HB VAL B 18 11.680 -4.101 1.528 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.037 -2.031 1.287 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.077 -3.464 1.466 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.843 -2.729 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.832 -2.218 0.159 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.619 -2.910 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.285 -3.783 -0.488 1.00 0.00 H new ATOM 594 N CYS B 19 10.642 -6.559 -0.275 1.00 0.00 N ATOM 595 CA CYS B 19 9.734 -7.663 0.141 1.00 0.00 C ATOM 596 C CYS B 19 10.074 -8.904 -0.677 1.00 0.00 C ATOM 597 O CYS B 19 10.428 -9.939 -0.148 1.00 0.00 O ATOM 598 CB CYS B 19 8.286 -7.254 -0.130 1.00 0.00 C ATOM 599 SG CYS B 19 8.021 -5.552 0.432 1.00 0.00 S ATOM 0 H CYS B 19 10.343 -6.042 -1.102 1.00 0.00 H new ATOM 0 HA CYS B 19 9.856 -7.872 1.204 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.068 -7.334 -1.195 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.604 -7.929 0.387 1.00 0.00 H new ATOM 604 N GLY B 20 9.983 -8.793 -1.971 1.00 0.00 N ATOM 605 CA GLY B 20 10.313 -9.945 -2.849 1.00 0.00 C ATOM 606 C GLY B 20 9.455 -11.158 -2.481 1.00 0.00 C ATOM 607 O GLY B 20 8.241 -11.108 -2.522 1.00 0.00 O ATOM 0 H GLY B 20 9.692 -7.947 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY B 20 10.145 -9.676 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.369 -10.195 -2.750 1.00 0.00 H new ATOM 611 N GLU B 21 10.080 -12.249 -2.130 1.00 0.00 N ATOM 612 CA GLU B 21 9.309 -13.474 -1.769 1.00 0.00 C ATOM 613 C GLU B 21 8.352 -13.168 -0.614 1.00 0.00 C ATOM 614 O GLU B 21 7.442 -13.923 -0.336 1.00 0.00 O ATOM 615 CB GLU B 21 10.280 -14.578 -1.344 1.00 0.00 C ATOM 616 CG GLU B 21 10.315 -15.670 -2.415 1.00 0.00 C ATOM 617 CD GLU B 21 11.752 -16.164 -2.596 1.00 0.00 C ATOM 618 OE1 GLU B 21 12.619 -15.334 -2.808 1.00 0.00 O ATOM 619 OE2 GLU B 21 11.959 -17.363 -2.520 1.00 0.00 O ATOM 0 H GLU B 21 11.094 -12.345 -2.077 1.00 0.00 H new ATOM 0 HA GLU B 21 8.733 -13.802 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.278 -14.163 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.970 -15.001 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.668 -16.498 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU B 21 9.932 -15.281 -3.358 1.00 0.00 H new ATOM 626 N ARG B 22 8.549 -12.070 0.061 1.00 0.00 N ATOM 627 CA ARG B 22 7.647 -11.725 1.195 1.00 0.00 C ATOM 628 C ARG B 22 6.235 -11.464 0.666 1.00 0.00 C ATOM 629 O ARG B 22 5.294 -11.335 1.423 1.00 0.00 O ATOM 630 CB ARG B 22 8.168 -10.469 1.899 1.00 0.00 C ATOM 631 CG ARG B 22 8.912 -10.864 3.178 1.00 0.00 C ATOM 632 CD ARG B 22 10.409 -10.598 3.005 1.00 0.00 C ATOM 633 NE ARG B 22 10.796 -9.403 3.807 1.00 0.00 N ATOM 634 CZ ARG B 22 11.234 -9.552 5.027 1.00 0.00 C ATOM 635 NH1 ARG B 22 10.769 -10.514 5.776 1.00 0.00 N ATOM 636 NH2 ARG B 22 12.137 -8.736 5.499 1.00 0.00 N ATOM 0 H ARG B 22 9.294 -11.398 -0.123 1.00 0.00 H new ATOM 0 HA ARG B 22 7.622 -12.554 1.902 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.834 -9.918 1.235 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.338 -9.805 2.140 1.00 0.00 H new ATOM 0 HG2 ARG B 22 8.527 -10.296 4.025 1.00 0.00 H new ATOM 0 HG3 ARG B 22 8.743 -11.918 3.398 1.00 0.00 H new ATOM 0 HD2 ARG B 22 10.983 -11.467 3.326 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.641 -10.434 1.953 1.00 0.00 H new ATOM 0 HE ARG B 22 10.719 -8.470 3.403 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.062 -11.151 5.408 1.00 0.00 H new ATOM 0 HH12 ARG B 22 11.112 -10.629 6.730 1.00 0.00 H new ATOM 0 HH21 ARG B 22 12.499 -7.983 4.914 1.00 0.00 H new ATOM 0 HH22 ARG B 22 12.480 -8.851 6.453 1.00 0.00 H new ATOM 650 N GLY B 23 6.078 -11.382 -0.627 1.00 0.00 N ATOM 651 CA GLY B 23 4.725 -11.126 -1.197 1.00 0.00 C ATOM 652 C GLY B 23 4.174 -9.822 -0.623 1.00 0.00 C ATOM 653 O GLY B 23 3.283 -9.822 0.204 1.00 0.00 O ATOM 0 H GLY B 23 6.827 -11.481 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.782 -11.063 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.055 -11.953 -0.960 1.00 0.00 H new ATOM 657 N PHE B 24 4.703 -8.708 -1.048 1.00 0.00 N ATOM 658 CA PHE B 24 4.215 -7.404 -0.521 1.00 0.00 C ATOM 659 C PHE B 24 2.792 -7.146 -1.018 1.00 0.00 C ATOM 660 O PHE B 24 2.357 -7.706 -2.006 1.00 0.00 O ATOM 661 CB PHE B 24 5.145 -6.282 -0.996 1.00 0.00 C ATOM 662 CG PHE B 24 4.894 -5.985 -2.456 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.765 -5.248 -2.837 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.791 -6.446 -3.429 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.533 -4.971 -4.191 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.558 -6.169 -4.783 1.00 0.00 C ATOM 667 CZ PHE B 24 4.428 -5.432 -5.164 1.00 0.00 C ATOM 0 H PHE B 24 5.452 -8.645 -1.737 1.00 0.00 H new ATOM 0 HA PHE B 24 4.211 -7.431 0.569 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.979 -5.384 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.185 -6.574 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE B 24 3.073 -4.893 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.661 -7.014 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.663 -4.402 -4.484 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.249 -6.524 -5.533 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.248 -5.220 -6.208 1.00 0.00 H new ATOM 677 N PHE B 25 2.061 -6.302 -0.341 1.00 0.00 N ATOM 678 CA PHE B 25 0.666 -6.012 -0.777 1.00 0.00 C ATOM 679 C PHE B 25 0.438 -4.500 -0.789 1.00 0.00 C ATOM 680 O PHE B 25 0.074 -3.910 0.208 1.00 0.00 O ATOM 681 CB PHE B 25 -0.317 -6.668 0.194 1.00 0.00 C ATOM 682 CG PHE B 25 -0.122 -6.093 1.575 1.00 0.00 C ATOM 683 CD1 PHE B 25 1.039 -6.392 2.301 1.00 0.00 C ATOM 684 CD2 PHE B 25 -1.101 -5.260 2.132 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.220 -5.859 3.584 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.919 -4.726 3.415 1.00 0.00 C ATOM 687 CZ PHE B 25 0.241 -5.025 4.141 1.00 0.00 C ATOM 0 H PHE B 25 2.369 -5.802 0.493 1.00 0.00 H new ATOM 0 HA PHE B 25 0.509 -6.410 -1.779 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.341 -6.500 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.161 -7.747 0.213 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.794 -7.033 1.871 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.996 -5.029 1.573 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.114 -6.091 4.144 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.674 -4.084 3.844 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.381 -4.613 5.130 1.00 0.00 H new ATOM 697 N TYR B 26 0.648 -3.869 -1.912 1.00 0.00 N ATOM 698 CA TYR B 26 0.440 -2.395 -1.985 1.00 0.00 C ATOM 699 C TYR B 26 -1.059 -2.093 -1.923 1.00 0.00 C ATOM 700 O TYR B 26 -1.824 -2.520 -2.766 1.00 0.00 O ATOM 701 CB TYR B 26 1.016 -1.862 -3.299 1.00 0.00 C ATOM 702 CG TYR B 26 0.557 -0.439 -3.509 1.00 0.00 C ATOM 703 CD1 TYR B 26 1.073 0.588 -2.708 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.388 -0.147 -4.501 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.643 1.908 -2.898 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.817 1.172 -4.692 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.303 2.200 -3.891 1.00 0.00 C ATOM 708 OH TYR B 26 -0.726 3.499 -4.080 1.00 0.00 O ATOM 0 H TYR B 26 0.954 -4.309 -2.780 1.00 0.00 H new ATOM 0 HA TYR B 26 0.945 -1.912 -1.148 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.105 -1.904 -3.275 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.691 -2.487 -4.131 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.802 0.362 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.786 -0.939 -5.118 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.040 2.700 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.545 1.397 -5.458 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.382 3.527 -4.808 1.00 0.00 H new ATOM 718 N THR B 27 -1.486 -1.360 -0.931 1.00 0.00 N ATOM 719 CA THR B 27 -2.936 -1.034 -0.818 1.00 0.00 C ATOM 720 C THR B 27 -3.239 0.232 -1.622 1.00 0.00 C ATOM 721 O THR B 27 -2.386 0.769 -2.299 1.00 0.00 O ATOM 722 CB THR B 27 -3.298 -0.801 0.651 1.00 0.00 C ATOM 723 OG1 THR B 27 -4.538 -0.114 0.730 1.00 0.00 O ATOM 724 CG2 THR B 27 -2.206 0.034 1.324 1.00 0.00 C ATOM 0 H THR B 27 -0.895 -0.973 -0.195 1.00 0.00 H new ATOM 0 HA THR B 27 -3.524 -1.865 -1.209 1.00 0.00 H new ATOM 0 HB THR B 27 -3.382 -1.762 1.159 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.375 0.836 0.908 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.466 0.198 2.370 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.255 -0.496 1.266 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.118 0.995 0.817 1.00 0.00 H new ATOM 732 N LYS B 28 -4.450 0.711 -1.550 1.00 0.00 N ATOM 733 CA LYS B 28 -4.811 1.941 -2.309 1.00 0.00 C ATOM 734 C LYS B 28 -5.231 3.038 -1.327 1.00 0.00 C ATOM 735 O LYS B 28 -5.476 2.771 -0.167 1.00 0.00 O ATOM 736 CB LYS B 28 -5.971 1.632 -3.257 1.00 0.00 C ATOM 737 CG LYS B 28 -5.444 1.514 -4.688 1.00 0.00 C ATOM 738 CD LYS B 28 -4.891 0.106 -4.914 1.00 0.00 C ATOM 739 CE LYS B 28 -5.993 -0.924 -4.653 1.00 0.00 C ATOM 740 NZ LYS B 28 -5.618 -2.222 -5.281 1.00 0.00 N ATOM 0 H LYS B 28 -5.205 0.304 -0.998 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.951 2.280 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.459 0.704 -2.960 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.722 2.420 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.244 1.721 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.664 2.255 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -4.522 0.008 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.045 -0.075 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.137 -1.055 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.940 -0.571 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.366 -2.922 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -5.502 -2.091 -6.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.724 -2.560 -4.872 1.00 0.00 H new ATOM 754 N PRO B 29 -5.300 4.247 -1.825 1.00 0.00 N ATOM 755 CA PRO B 29 -5.687 5.419 -1.020 1.00 0.00 C ATOM 756 C PRO B 29 -7.204 5.447 -0.814 1.00 0.00 C ATOM 757 O PRO B 29 -7.921 6.150 -1.499 1.00 0.00 O ATOM 758 CB PRO B 29 -5.228 6.605 -1.871 1.00 0.00 C ATOM 759 CG PRO B 29 -5.130 6.087 -3.326 1.00 0.00 C ATOM 760 CD PRO B 29 -4.997 4.556 -3.239 1.00 0.00 C ATOM 0 HA PRO B 29 -5.246 5.421 -0.023 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -5.936 7.431 -1.800 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -4.264 6.980 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.015 6.367 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.270 6.522 -3.835 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -5.692 4.057 -3.914 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.995 4.227 -3.513 1.00 0.00 H new ATOM 768 N THR B 30 -7.699 4.688 0.127 1.00 0.00 N ATOM 769 CA THR B 30 -9.167 4.673 0.376 1.00 0.00 C ATOM 770 C THR B 30 -9.611 6.040 0.899 1.00 0.00 C ATOM 771 O THR B 30 -10.659 6.105 1.520 1.00 0.00 O ATOM 772 CB THR B 30 -9.497 3.598 1.416 1.00 0.00 C ATOM 773 OG1 THR B 30 -8.476 2.610 1.413 1.00 0.00 O ATOM 774 CG2 THR B 30 -10.839 2.950 1.074 1.00 0.00 C ATOM 775 OXT THR B 30 -8.894 7.001 0.670 1.00 0.00 O ATOM 0 H THR B 30 -7.149 4.079 0.733 1.00 0.00 H new ATOM 0 HA THR B 30 -9.690 4.453 -0.554 1.00 0.00 H new ATOM 0 HB THR B 30 -9.559 4.054 2.404 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.685 1.922 2.079 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.073 2.185 1.815 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.621 3.709 1.077 1.00 0.00 H new ATOM 0 HG23 THR B 30 -10.781 2.493 0.086 1.00 0.00 H new TER 783 THR B 30