USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 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= -0.226 X(o=-0.23,f=-0.11) USER MOD Single : A 8 THR OG1 : rot -27:sc= 1.2 USER MOD Single : A 9 SER OG : rot 180:sc= 0.287! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.29 F(o=-2.7!,f=-1.3) USER MOD Single : B 1 PHE N :NH3+ -120:sc= 0.146 (180deg=0.0667) USER MOD Single : B 3 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.091) USER MOD Single : B 4 GLN : amide:sc= -0.646 K(o=-0.65,f=-1.6) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 150:sc= -1.02 USER MOD Single : B 26 TYR OH : rot -15:sc= -0.205 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -73:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.014 3.003 4.801 1.00 0.00 N ATOM 2 CA GLY A 1 -7.837 3.581 3.440 1.00 0.00 C ATOM 3 C GLY A 1 -6.434 3.382 2.903 1.00 0.00 C ATOM 4 O GLY A 1 -5.466 3.886 3.473 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.989 3.165 5.123 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.825 1.981 4.771 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.351 3.459 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.552 3.121 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.064 4.647 3.469 1.00 0.00 H new ATOM 10 N ILE A 2 -6.326 2.648 1.800 1.00 0.00 N ATOM 11 CA ILE A 2 -5.032 2.385 1.182 1.00 0.00 C ATOM 12 C ILE A 2 -4.577 3.571 0.343 1.00 0.00 C ATOM 13 O ILE A 2 -3.540 4.177 0.612 1.00 0.00 O ATOM 14 CB ILE A 2 -5.080 1.130 0.296 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.685 -0.046 1.067 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.687 0.780 -0.210 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.186 -0.160 0.917 1.00 0.00 C ATOM 0 H ILE A 2 -7.118 2.225 1.316 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.320 2.221 1.991 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.714 1.339 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.223 -0.971 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.441 0.059 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.740 -0.111 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.293 1.611 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.029 0.589 0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.545 -1.015 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.659 0.750 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.437 -0.297 -0.135 1.00 0.00 H new ATOM 29 N VAL A 3 -5.363 3.896 -0.676 1.00 0.00 N ATOM 30 CA VAL A 3 -5.047 5.012 -1.566 1.00 0.00 C ATOM 31 C VAL A 3 -4.851 6.306 -0.786 1.00 0.00 C ATOM 32 O VAL A 3 -3.749 6.845 -0.729 1.00 0.00 O ATOM 33 CB VAL A 3 -6.133 5.232 -2.643 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.815 4.423 -3.886 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.520 4.882 -2.117 1.00 0.00 C ATOM 0 H VAL A 3 -6.225 3.403 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.116 4.743 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.136 6.290 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.589 4.588 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.850 4.735 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.777 3.364 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.259 5.049 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.541 3.835 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.753 5.512 -1.259 1.00 0.00 H new ATOM 45 N GLU A 4 -5.928 6.800 -0.188 1.00 0.00 N ATOM 46 CA GLU A 4 -5.886 8.038 0.592 1.00 0.00 C ATOM 47 C GLU A 4 -4.639 8.105 1.474 1.00 0.00 C ATOM 48 O GLU A 4 -4.138 9.188 1.777 1.00 0.00 O ATOM 49 CB GLU A 4 -7.141 8.159 1.458 1.00 0.00 C ATOM 50 CG GLU A 4 -8.433 7.938 0.688 1.00 0.00 C ATOM 51 CD GLU A 4 -9.510 8.941 1.052 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.453 9.492 2.172 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.409 9.175 0.218 1.00 0.00 O ATOM 0 H GLU A 4 -6.848 6.362 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.847 8.870 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.083 7.435 2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.164 9.149 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.229 8.002 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.800 6.930 0.883 1.00 0.00 H new ATOM 60 N GLN A 5 -4.143 6.942 1.885 1.00 0.00 N ATOM 61 CA GLN A 5 -2.959 6.871 2.732 1.00 0.00 C ATOM 62 C GLN A 5 -1.681 7.039 1.914 1.00 0.00 C ATOM 63 O GLN A 5 -0.977 8.041 2.045 1.00 0.00 O ATOM 64 CB GLN A 5 -2.925 5.537 3.479 1.00 0.00 C ATOM 65 CG GLN A 5 -1.796 5.433 4.490 1.00 0.00 C ATOM 66 CD GLN A 5 -1.855 6.521 5.545 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.868 7.211 5.799 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.018 6.679 6.166 1.00 0.00 N ATOM 0 H GLN A 5 -4.544 6.035 1.644 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.013 7.688 3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.876 5.394 3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.829 4.728 2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.837 4.458 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.840 5.489 3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.811 6.084 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.119 7.395 6.885 1.00 0.00 H new ATOM 77 N CYS A 6 -1.381 6.050 1.077 1.00 0.00 N ATOM 78 CA CYS A 6 -0.181 6.087 0.246 1.00 0.00 C ATOM 79 C CYS A 6 -0.250 7.214 -0.781 1.00 0.00 C ATOM 80 O CYS A 6 0.731 7.926 -0.998 1.00 0.00 O ATOM 81 CB CYS A 6 0.015 4.746 -0.468 1.00 0.00 C ATOM 82 SG CYS A 6 0.722 3.439 0.586 1.00 0.00 S ATOM 0 H CYS A 6 -1.952 5.213 0.956 1.00 0.00 H new ATOM 0 HA CYS A 6 0.669 6.274 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.947 4.407 -0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.667 4.896 -1.328 1.00 0.00 H new ATOM 87 N CYS A 7 -1.412 7.370 -1.408 1.00 0.00 N ATOM 88 CA CYS A 7 -1.617 8.411 -2.418 1.00 0.00 C ATOM 89 C CYS A 7 -1.011 9.740 -1.971 1.00 0.00 C ATOM 90 O CYS A 7 -0.538 10.524 -2.793 1.00 0.00 O ATOM 91 CB CYS A 7 -3.110 8.586 -2.706 1.00 0.00 C ATOM 92 SG CYS A 7 -3.475 9.761 -4.049 1.00 0.00 S ATOM 0 H CYS A 7 -2.231 6.787 -1.236 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.112 8.096 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.536 7.616 -2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.607 8.924 -1.797 1.00 0.00 H new ATOM 97 N THR A 8 -1.018 9.979 -0.664 1.00 0.00 N ATOM 98 CA THR A 8 -0.456 11.205 -0.112 1.00 0.00 C ATOM 99 C THR A 8 1.041 11.039 0.118 1.00 0.00 C ATOM 100 O THR A 8 1.477 10.082 0.757 1.00 0.00 O ATOM 101 CB THR A 8 -1.153 11.569 1.200 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.820 10.644 2.220 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.662 11.604 1.087 1.00 0.00 C ATOM 0 H THR A 8 -1.406 9.341 0.031 1.00 0.00 H new ATOM 0 HA THR A 8 -0.616 12.013 -0.826 1.00 0.00 H new ATOM 0 HB THR A 8 -0.800 12.571 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.598 9.779 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.093 11.868 2.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.954 12.346 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.027 10.623 0.783 1.00 0.00 H new ATOM 111 N SER A 9 1.827 11.969 -0.414 1.00 0.00 N ATOM 112 CA SER A 9 3.276 11.913 -0.270 1.00 0.00 C ATOM 113 C SER A 9 3.826 10.645 -0.924 1.00 0.00 C ATOM 114 O SER A 9 3.162 10.035 -1.762 1.00 0.00 O ATOM 115 CB SER A 9 3.655 11.961 1.211 1.00 0.00 C ATOM 116 OG SER A 9 5.061 11.898 1.385 1.00 0.00 O ATOM 0 H SER A 9 1.485 12.768 -0.947 1.00 0.00 H new ATOM 0 HA SER A 9 3.715 12.775 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.272 12.879 1.657 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.184 11.130 1.736 1.00 0.00 H new ATOM 0 HG SER A 9 5.274 11.932 2.341 1.00 0.00 H new ATOM 122 N ILE A 10 5.036 10.251 -0.541 1.00 0.00 N ATOM 123 CA ILE A 10 5.661 9.054 -1.098 1.00 0.00 C ATOM 124 C ILE A 10 5.537 7.889 -0.131 1.00 0.00 C ATOM 125 O ILE A 10 6.146 7.891 0.939 1.00 0.00 O ATOM 126 CB ILE A 10 7.161 9.261 -1.441 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.635 10.663 -1.047 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.400 9.020 -2.923 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.869 11.769 -1.732 1.00 0.00 C ATOM 0 H ILE A 10 5.603 10.741 0.151 1.00 0.00 H new ATOM 0 HA ILE A 10 5.130 8.838 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 10 7.740 8.538 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.541 10.780 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.694 10.761 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.456 9.168 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.114 7.999 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.801 9.720 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.256 12.735 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.984 11.676 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.813 11.696 -1.472 1.00 0.00 H new ATOM 141 N CYS A 11 4.740 6.896 -0.505 1.00 0.00 N ATOM 142 CA CYS A 11 4.545 5.734 0.346 1.00 0.00 C ATOM 143 C CYS A 11 5.725 4.777 0.246 1.00 0.00 C ATOM 144 O CYS A 11 6.218 4.493 -0.847 1.00 0.00 O ATOM 145 CB CYS A 11 3.254 5.000 -0.022 1.00 0.00 C ATOM 146 SG CYS A 11 2.361 4.309 1.409 1.00 0.00 S ATOM 0 H CYS A 11 4.223 6.873 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 11 4.470 6.090 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.595 5.688 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.492 4.192 -0.714 1.00 0.00 H new ATOM 151 N SER A 12 6.164 4.272 1.391 1.00 0.00 N ATOM 152 CA SER A 12 7.277 3.333 1.434 1.00 0.00 C ATOM 153 C SER A 12 6.758 1.903 1.369 1.00 0.00 C ATOM 154 O SER A 12 5.910 1.511 2.161 1.00 0.00 O ATOM 155 CB SER A 12 8.099 3.535 2.709 1.00 0.00 C ATOM 156 OG SER A 12 9.016 4.604 2.560 1.00 0.00 O ATOM 0 H SER A 12 5.766 4.497 2.303 1.00 0.00 H new ATOM 0 HA SER A 12 7.919 3.517 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.432 3.738 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.639 2.619 2.946 1.00 0.00 H new ATOM 0 HG SER A 12 9.528 4.714 3.389 1.00 0.00 H new ATOM 162 N LEU A 13 7.269 1.131 0.417 1.00 0.00 N ATOM 163 CA LEU A 13 6.852 -0.261 0.241 1.00 0.00 C ATOM 164 C LEU A 13 6.681 -0.963 1.574 1.00 0.00 C ATOM 165 O LEU A 13 5.765 -1.763 1.757 1.00 0.00 O ATOM 166 CB LEU A 13 7.877 -1.006 -0.601 1.00 0.00 C ATOM 167 CG LEU A 13 8.168 -0.370 -1.958 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.970 0.441 -2.438 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.407 0.505 -1.880 1.00 0.00 C ATOM 0 H LEU A 13 7.976 1.444 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 13 5.888 -0.259 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.809 -1.074 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.525 -2.025 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 13 8.353 -1.167 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.197 0.886 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.103 -0.212 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.753 1.230 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.600 0.950 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.249 1.295 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.263 -0.101 -1.583 1.00 0.00 H new ATOM 181 N TYR A 14 7.560 -0.642 2.509 1.00 0.00 N ATOM 182 CA TYR A 14 7.495 -1.230 3.839 1.00 0.00 C ATOM 183 C TYR A 14 6.085 -1.072 4.390 1.00 0.00 C ATOM 184 O TYR A 14 5.546 -1.969 5.037 1.00 0.00 O ATOM 185 CB TYR A 14 8.504 -0.560 4.771 1.00 0.00 C ATOM 186 CG TYR A 14 8.544 -1.169 6.153 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.648 -2.543 6.323 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.473 -0.370 7.286 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.682 -3.104 7.585 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.507 -0.922 8.552 1.00 0.00 C ATOM 191 CZ TYR A 14 8.612 -2.291 8.696 1.00 0.00 C ATOM 192 OH TYR A 14 8.646 -2.845 9.955 1.00 0.00 O ATOM 0 H TYR A 14 8.324 0.020 2.374 1.00 0.00 H new ATOM 0 HA TYR A 14 7.743 -2.289 3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.497 -0.624 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.261 0.499 4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.703 -3.183 5.455 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.390 0.701 7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.763 -4.175 7.701 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.452 -0.287 9.424 1.00 0.00 H new ATOM 0 HH TYR A 14 8.588 -2.134 10.627 1.00 0.00 H new ATOM 202 N GLN A 15 5.485 0.071 4.086 1.00 0.00 N ATOM 203 CA GLN A 15 4.124 0.361 4.508 1.00 0.00 C ATOM 204 C GLN A 15 3.149 -0.257 3.522 1.00 0.00 C ATOM 205 O GLN A 15 2.085 -0.746 3.901 1.00 0.00 O ATOM 206 CB GLN A 15 3.899 1.872 4.599 1.00 0.00 C ATOM 207 CG GLN A 15 4.950 2.596 5.425 1.00 0.00 C ATOM 208 CD GLN A 15 4.372 3.751 6.220 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.415 3.581 6.977 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.949 4.934 6.050 1.00 0.00 N ATOM 0 H GLN A 15 5.924 0.816 3.545 1.00 0.00 H new ATOM 0 HA GLN A 15 3.959 -0.067 5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.888 2.290 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.916 2.059 5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.421 1.889 6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.732 2.970 4.764 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.740 5.029 5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.602 5.748 6.557 1.00 0.00 H new ATOM 219 N LEU A 16 3.539 -0.252 2.253 1.00 0.00 N ATOM 220 CA LEU A 16 2.722 -0.834 1.205 1.00 0.00 C ATOM 221 C LEU A 16 2.591 -2.339 1.424 1.00 0.00 C ATOM 222 O LEU A 16 1.679 -2.976 0.895 1.00 0.00 O ATOM 223 CB LEU A 16 3.333 -0.549 -0.167 1.00 0.00 C ATOM 224 CG LEU A 16 2.320 -0.410 -1.307 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.618 0.937 -1.239 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.002 -0.586 -2.653 1.00 0.00 C ATOM 0 H LEU A 16 4.418 0.150 1.928 1.00 0.00 H new ATOM 0 HA LEU A 16 1.730 -0.384 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.917 0.369 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.028 -1.352 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 16 1.571 -1.194 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.902 1.016 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.093 1.026 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.355 1.736 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.266 -0.484 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.774 0.175 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.457 -1.575 -2.704 1.00 0.00 H new ATOM 238 N GLU A 17 3.502 -2.899 2.221 1.00 0.00 N ATOM 239 CA GLU A 17 3.479 -4.323 2.524 1.00 0.00 C ATOM 240 C GLU A 17 2.384 -4.636 3.540 1.00 0.00 C ATOM 241 O GLU A 17 2.052 -5.799 3.769 1.00 0.00 O ATOM 242 CB GLU A 17 4.839 -4.774 3.063 1.00 0.00 C ATOM 243 CG GLU A 17 4.994 -6.285 3.133 1.00 0.00 C ATOM 244 CD GLU A 17 5.629 -6.747 4.430 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.898 -6.885 5.433 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.859 -6.971 4.442 1.00 0.00 O ATOM 0 H GLU A 17 4.263 -2.385 2.666 1.00 0.00 H new ATOM 0 HA GLU A 17 3.267 -4.867 1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.626 -4.365 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.983 -4.356 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.015 -6.752 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.602 -6.623 2.294 1.00 0.00 H new ATOM 253 N ASN A 18 1.821 -3.589 4.142 1.00 0.00 N ATOM 254 CA ASN A 18 0.757 -3.757 5.128 1.00 0.00 C ATOM 255 C ASN A 18 -0.608 -3.894 4.453 1.00 0.00 C ATOM 256 O ASN A 18 -1.643 -3.870 5.121 1.00 0.00 O ATOM 257 CB ASN A 18 0.740 -2.574 6.098 1.00 0.00 C ATOM 258 CG ASN A 18 0.174 -2.948 7.454 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.974 -2.631 7.769 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.977 -3.625 8.266 1.00 0.00 N ATOM 0 H ASN A 18 2.083 -2.619 3.964 1.00 0.00 H new ATOM 0 HA ASN A 18 0.958 -4.674 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.754 -2.195 6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.148 -1.765 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.650 -3.903 9.191 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.921 -3.867 7.965 1.00 0.00 H new ATOM 267 N TYR A 19 -0.608 -4.042 3.130 1.00 0.00 N ATOM 268 CA TYR A 19 -1.847 -4.186 2.375 1.00 0.00 C ATOM 269 C TYR A 19 -1.964 -5.589 1.781 1.00 0.00 C ATOM 270 O TYR A 19 -2.984 -5.933 1.181 1.00 0.00 O ATOM 271 CB TYR A 19 -1.906 -3.147 1.252 1.00 0.00 C ATOM 272 CG TYR A 19 -1.907 -1.717 1.740 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.965 -1.219 2.490 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.851 -0.863 1.448 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.971 0.089 2.934 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.849 0.447 1.889 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.911 0.917 2.631 1.00 0.00 C ATOM 278 OH TYR A 19 -1.913 2.221 3.072 1.00 0.00 O ATOM 0 H TYR A 19 0.238 -4.065 2.560 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.680 -4.026 3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.053 -3.294 0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.804 -3.319 0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.796 -1.865 2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.018 -1.229 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.802 0.461 3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.020 1.098 1.654 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.094 2.668 2.774 1.00 0.00 H new ATOM 288 N CYS A 20 -0.917 -6.395 1.944 1.00 0.00 N ATOM 289 CA CYS A 20 -0.911 -7.754 1.416 1.00 0.00 C ATOM 290 C CYS A 20 -1.937 -8.621 2.138 1.00 0.00 C ATOM 291 O CYS A 20 -1.941 -8.707 3.367 1.00 0.00 O ATOM 292 CB CYS A 20 0.485 -8.378 1.535 1.00 0.00 C ATOM 293 SG CYS A 20 1.858 -7.217 1.229 1.00 0.00 S ATOM 0 H CYS A 20 -0.064 -6.130 2.437 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.181 -7.704 0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.597 -8.799 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.561 -9.206 0.830 1.00 0.00 H new ATOM 298 N ASN A 21 -2.807 -9.259 1.364 1.00 0.00 N ATOM 299 CA ASN A 21 -3.845 -10.120 1.915 1.00 0.00 C ATOM 300 C ASN A 21 -4.172 -11.250 0.941 1.00 0.00 C ATOM 301 O ASN A 21 -3.579 -11.347 -0.133 1.00 0.00 O ATOM 302 CB ASN A 21 -5.103 -9.293 2.218 1.00 0.00 C ATOM 303 CG ASN A 21 -6.338 -10.151 2.433 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.899 -10.661 1.342 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -6.781 -10.351 3.564 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -4.880 -12.197 1.359 1.00 0.00 O ATOM 0 H ASN A 21 -2.813 -9.195 0.346 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.481 -10.562 2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.928 -8.688 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.285 -8.603 1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.317 -9.939 4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.612 -10.929 3.691 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.610 3.808 -4.007 1.00 0.00 N ATOM 315 CA PHE B 1 12.363 3.765 -5.256 1.00 0.00 C ATOM 316 C PHE B 1 12.631 5.178 -5.764 1.00 0.00 C ATOM 317 O PHE B 1 13.714 5.476 -6.268 1.00 0.00 O ATOM 318 CB PHE B 1 11.599 2.969 -6.316 1.00 0.00 C ATOM 319 CG PHE B 1 10.939 1.728 -5.786 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.682 0.754 -5.139 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.575 1.536 -5.936 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.078 -0.389 -4.652 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.964 0.394 -5.451 1.00 0.00 C ATOM 324 CZ PHE B 1 9.717 -0.569 -4.808 1.00 0.00 C ATOM 0 H1 PHE B 1 12.160 3.348 -3.254 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.426 4.798 -3.746 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.706 3.309 -4.129 1.00 0.00 H new ATOM 0 HA PHE B 1 13.315 3.271 -5.063 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.839 3.611 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.288 2.690 -7.114 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.746 0.890 -5.014 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.982 2.287 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.669 -1.141 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.900 0.255 -5.575 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.243 -1.462 -4.428 1.00 0.00 H new ATOM 336 N VAL B 2 11.631 6.041 -5.625 1.00 0.00 N ATOM 337 CA VAL B 2 11.740 7.427 -6.064 1.00 0.00 C ATOM 338 C VAL B 2 10.698 8.293 -5.373 1.00 0.00 C ATOM 339 O VAL B 2 9.931 7.810 -4.540 1.00 0.00 O ATOM 340 CB VAL B 2 11.550 7.550 -7.587 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.779 7.048 -8.321 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.307 6.794 -8.033 1.00 0.00 C ATOM 0 H VAL B 2 10.731 5.803 -5.209 1.00 0.00 H new ATOM 0 HA VAL B 2 12.741 7.768 -5.799 1.00 0.00 H new ATOM 0 HB VAL B 2 11.415 8.603 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.625 7.143 -9.396 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.646 7.638 -8.025 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.950 6.001 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.189 6.892 -9.112 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.409 5.740 -7.774 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.431 7.207 -7.533 1.00 0.00 H new ATOM 352 N ASN B 3 10.657 9.572 -5.731 1.00 0.00 N ATOM 353 CA ASN B 3 9.687 10.491 -5.151 1.00 0.00 C ATOM 354 C ASN B 3 8.311 10.253 -5.768 1.00 0.00 C ATOM 355 O ASN B 3 7.718 11.150 -6.366 1.00 0.00 O ATOM 356 CB ASN B 3 10.125 11.940 -5.374 1.00 0.00 C ATOM 357 CG ASN B 3 9.844 12.819 -4.171 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.233 13.882 -4.293 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.290 12.380 -3.000 1.00 0.00 N ATOM 0 H ASN B 3 11.282 9.994 -6.418 1.00 0.00 H new ATOM 0 HA ASN B 3 9.629 10.310 -4.078 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.192 11.964 -5.597 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.608 12.343 -6.244 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.131 12.929 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.791 11.493 -2.945 1.00 0.00 H new ATOM 366 N GLN B 4 7.820 9.025 -5.629 1.00 0.00 N ATOM 367 CA GLN B 4 6.532 8.641 -6.178 1.00 0.00 C ATOM 368 C GLN B 4 5.371 9.188 -5.343 1.00 0.00 C ATOM 369 O GLN B 4 5.547 10.101 -4.537 1.00 0.00 O ATOM 370 CB GLN B 4 6.451 7.115 -6.275 1.00 0.00 C ATOM 371 CG GLN B 4 6.630 6.403 -4.943 1.00 0.00 C ATOM 372 CD GLN B 4 7.160 4.992 -5.104 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.814 4.291 -6.055 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.004 4.566 -4.172 1.00 0.00 N ATOM 0 H GLN B 4 8.304 8.275 -5.135 1.00 0.00 H new ATOM 0 HA GLN B 4 6.444 9.075 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.485 6.838 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.214 6.764 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.315 6.976 -4.318 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.674 6.371 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.264 5.180 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.392 3.624 -4.228 1.00 0.00 H new ATOM 383 N ALA B 5 4.183 8.624 -5.548 1.00 0.00 N ATOM 384 CA ALA B 5 2.988 9.047 -4.824 1.00 0.00 C ATOM 385 C ALA B 5 2.159 7.843 -4.406 1.00 0.00 C ATOM 386 O ALA B 5 1.713 7.741 -3.263 1.00 0.00 O ATOM 387 CB ALA B 5 2.149 9.968 -5.688 1.00 0.00 C ATOM 0 H ALA B 5 4.023 7.868 -6.214 1.00 0.00 H new ATOM 0 HA ALA B 5 3.305 9.583 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.261 10.276 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.733 10.848 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA B 5 1.849 9.443 -6.595 1.00 0.00 H new ATOM 393 N LEU B 6 1.959 6.940 -5.357 1.00 0.00 N ATOM 394 CA LEU B 6 1.188 5.724 -5.140 1.00 0.00 C ATOM 395 C LEU B 6 -0.302 6.012 -5.034 1.00 0.00 C ATOM 396 O LEU B 6 -0.874 6.017 -3.944 1.00 0.00 O ATOM 397 CB LEU B 6 1.679 4.974 -3.899 1.00 0.00 C ATOM 398 CG LEU B 6 2.808 3.979 -4.163 1.00 0.00 C ATOM 399 CD1 LEU B 6 2.256 2.713 -4.793 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.865 4.601 -5.062 1.00 0.00 C ATOM 0 H LEU B 6 2.328 7.031 -6.303 1.00 0.00 H new ATOM 0 HA LEU B 6 1.342 5.087 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.018 5.701 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.838 4.440 -3.457 1.00 0.00 H new ATOM 0 HG LEU B 6 3.273 3.721 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.071 2.012 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.530 2.258 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.770 2.959 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.662 3.879 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.413 4.884 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.279 5.486 -4.579 1.00 0.00 H new ATOM 412 N CYS B 7 -0.924 6.234 -6.184 1.00 0.00 N ATOM 413 CA CYS B 7 -2.354 6.509 -6.249 1.00 0.00 C ATOM 414 C CYS B 7 -2.986 5.776 -7.427 1.00 0.00 C ATOM 415 O CYS B 7 -2.417 5.724 -8.516 1.00 0.00 O ATOM 416 CB CYS B 7 -2.607 8.012 -6.372 1.00 0.00 C ATOM 417 SG CYS B 7 -4.136 8.578 -5.560 1.00 0.00 S ATOM 0 H CYS B 7 -0.457 6.229 -7.091 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.812 6.151 -5.327 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.761 8.548 -5.943 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.650 8.277 -7.428 1.00 0.00 H new ATOM 422 N GLY B 8 -4.165 5.207 -7.200 1.00 0.00 N ATOM 423 CA GLY B 8 -4.851 4.480 -8.253 1.00 0.00 C ATOM 424 C GLY B 8 -4.183 3.156 -8.574 1.00 0.00 C ATOM 425 O GLY B 8 -4.031 2.303 -7.700 1.00 0.00 O ATOM 0 H GLY B 8 -4.658 5.236 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.883 4.299 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.884 5.094 -9.153 1.00 0.00 H new ATOM 429 N SER B 9 -3.782 2.986 -9.831 1.00 0.00 N ATOM 430 CA SER B 9 -3.124 1.758 -10.265 1.00 0.00 C ATOM 431 C SER B 9 -1.678 1.712 -9.782 1.00 0.00 C ATOM 432 O SER B 9 -1.097 0.636 -9.636 1.00 0.00 O ATOM 433 CB SER B 9 -3.170 1.642 -11.790 1.00 0.00 C ATOM 434 OG SER B 9 -4.314 0.921 -12.213 1.00 0.00 O ATOM 0 H SER B 9 -3.901 3.683 -10.566 1.00 0.00 H new ATOM 0 HA SER B 9 -3.659 0.915 -9.827 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.180 2.638 -12.233 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.269 1.143 -12.147 1.00 0.00 H new ATOM 0 HG SER B 9 -4.321 0.863 -13.191 1.00 0.00 H new ATOM 440 N ASP B 10 -1.098 2.885 -9.532 1.00 0.00 N ATOM 441 CA ASP B 10 0.281 2.971 -9.060 1.00 0.00 C ATOM 442 C ASP B 10 0.494 2.086 -7.838 1.00 0.00 C ATOM 443 O ASP B 10 1.607 1.633 -7.573 1.00 0.00 O ATOM 444 CB ASP B 10 0.638 4.422 -8.728 1.00 0.00 C ATOM 445 CG ASP B 10 1.393 5.102 -9.853 1.00 0.00 C ATOM 446 OD1 ASP B 10 2.187 4.418 -10.534 1.00 0.00 O ATOM 447 OD2 ASP B 10 1.192 6.318 -10.053 1.00 0.00 O ATOM 0 H ASP B 10 -1.561 3.786 -9.648 1.00 0.00 H new ATOM 0 HA ASP B 10 0.936 2.618 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.275 4.979 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.242 4.447 -7.821 1.00 0.00 H new ATOM 452 N LEU B 11 -0.583 1.836 -7.100 1.00 0.00 N ATOM 453 CA LEU B 11 -0.511 0.998 -5.912 1.00 0.00 C ATOM 454 C LEU B 11 -0.377 -0.464 -6.289 1.00 0.00 C ATOM 455 O LEU B 11 0.677 -1.056 -6.100 1.00 0.00 O ATOM 456 CB LEU B 11 -1.741 1.200 -5.037 1.00 0.00 C ATOM 457 CG LEU B 11 -1.715 2.461 -4.179 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.127 2.955 -3.934 1.00 0.00 C ATOM 459 CD2 LEU B 11 -0.999 2.198 -2.862 1.00 0.00 C ATOM 0 H LEU B 11 -1.513 2.202 -7.304 1.00 0.00 H new ATOM 0 HA LEU B 11 0.374 1.293 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.623 1.230 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.851 0.335 -4.383 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.165 3.236 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.096 3.855 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.604 3.182 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.698 2.183 -3.417 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.991 3.109 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.519 1.410 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.026 1.886 -3.061 1.00 0.00 H new ATOM 471 N VAL B 12 -1.449 -1.036 -6.830 1.00 0.00 N ATOM 472 CA VAL B 12 -1.450 -2.434 -7.239 1.00 0.00 C ATOM 473 C VAL B 12 -0.131 -2.820 -7.890 1.00 0.00 C ATOM 474 O VAL B 12 0.435 -3.873 -7.597 1.00 0.00 O ATOM 475 CB VAL B 12 -2.592 -2.726 -8.221 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.925 -2.792 -7.494 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.633 -1.684 -9.325 1.00 0.00 C ATOM 0 H VAL B 12 -2.330 -0.549 -6.995 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.592 -3.026 -6.335 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.406 -3.698 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.720 -3.000 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.893 -3.585 -6.747 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.119 -1.838 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.450 -1.911 -10.009 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.789 -0.697 -8.889 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.689 -1.695 -9.871 1.00 0.00 H new ATOM 487 N GLU B 13 0.362 -1.951 -8.759 1.00 0.00 N ATOM 488 CA GLU B 13 1.622 -2.193 -9.435 1.00 0.00 C ATOM 489 C GLU B 13 2.744 -2.317 -8.417 1.00 0.00 C ATOM 490 O GLU B 13 3.524 -3.273 -8.440 1.00 0.00 O ATOM 491 CB GLU B 13 1.922 -1.060 -10.416 1.00 0.00 C ATOM 492 CG GLU B 13 1.071 -1.102 -11.675 1.00 0.00 C ATOM 493 CD GLU B 13 1.830 -0.652 -12.908 1.00 0.00 C ATOM 494 OE1 GLU B 13 2.888 -1.246 -13.204 1.00 0.00 O ATOM 495 OE2 GLU B 13 1.366 0.295 -13.577 1.00 0.00 O ATOM 0 H GLU B 13 -0.093 -1.073 -9.011 1.00 0.00 H new ATOM 0 HA GLU B 13 1.548 -3.126 -9.993 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.766 -0.105 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.974 -1.104 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.706 -2.117 -11.828 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.196 -0.466 -11.539 1.00 0.00 H new ATOM 502 N ALA B 14 2.804 -1.356 -7.507 1.00 0.00 N ATOM 503 CA ALA B 14 3.821 -1.364 -6.467 1.00 0.00 C ATOM 504 C ALA B 14 3.410 -2.273 -5.315 1.00 0.00 C ATOM 505 O ALA B 14 4.195 -2.520 -4.401 1.00 0.00 O ATOM 506 CB ALA B 14 4.076 0.051 -5.968 1.00 0.00 C ATOM 0 H ALA B 14 2.163 -0.564 -7.468 1.00 0.00 H new ATOM 0 HA ALA B 14 4.745 -1.755 -6.892 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.839 0.030 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.418 0.673 -6.796 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.154 0.465 -5.561 1.00 0.00 H new ATOM 512 N LEU B 15 2.169 -2.754 -5.360 1.00 0.00 N ATOM 513 CA LEU B 15 1.642 -3.620 -4.322 1.00 0.00 C ATOM 514 C LEU B 15 1.895 -5.092 -4.627 1.00 0.00 C ATOM 515 O LEU B 15 2.580 -5.779 -3.872 1.00 0.00 O ATOM 516 CB LEU B 15 0.146 -3.376 -4.145 1.00 0.00 C ATOM 517 CG LEU B 15 -0.288 -2.999 -2.730 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.761 -3.293 -2.552 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.531 -3.746 -1.686 1.00 0.00 C ATOM 0 H LEU B 15 1.510 -2.553 -6.112 1.00 0.00 H new ATOM 0 HA LEU B 15 2.164 -3.378 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.159 -2.581 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.391 -4.276 -4.445 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.114 -1.932 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.066 -3.023 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.337 -2.713 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.942 -4.356 -2.714 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.199 -3.457 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.395 -4.820 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.586 -3.497 -1.804 1.00 0.00 H new ATOM 531 N TYR B 16 1.332 -5.591 -5.724 1.00 0.00 N ATOM 532 CA TYR B 16 1.522 -6.988 -6.064 1.00 0.00 C ATOM 533 C TYR B 16 3.001 -7.313 -6.221 1.00 0.00 C ATOM 534 O TYR B 16 3.405 -8.470 -6.103 1.00 0.00 O ATOM 535 CB TYR B 16 0.743 -7.386 -7.319 1.00 0.00 C ATOM 536 CG TYR B 16 0.946 -6.523 -8.542 1.00 0.00 C ATOM 537 CD1 TYR B 16 2.208 -6.295 -9.073 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.149 -5.967 -9.188 1.00 0.00 C ATOM 539 CE1 TYR B 16 2.368 -5.528 -10.213 1.00 0.00 C ATOM 540 CE2 TYR B 16 0.003 -5.206 -10.328 1.00 0.00 C ATOM 541 CZ TYR B 16 1.264 -4.989 -10.837 1.00 0.00 C ATOM 542 OH TYR B 16 1.421 -4.231 -11.975 1.00 0.00 O ATOM 0 H TYR B 16 0.755 -5.060 -6.376 1.00 0.00 H new ATOM 0 HA TYR B 16 1.124 -7.576 -5.237 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.012 -8.411 -7.576 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.319 -7.387 -7.075 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.075 -6.721 -8.591 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.139 -6.133 -8.790 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.356 -5.352 -10.613 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.861 -4.783 -10.818 1.00 0.00 H new ATOM 0 HH TYR B 16 0.627 -4.325 -12.542 1.00 0.00 H new ATOM 552 N LEU B 17 3.813 -6.289 -6.475 1.00 0.00 N ATOM 553 CA LEU B 17 5.243 -6.495 -6.627 1.00 0.00 C ATOM 554 C LEU B 17 5.933 -6.553 -5.265 1.00 0.00 C ATOM 555 O LEU B 17 6.888 -7.305 -5.074 1.00 0.00 O ATOM 556 CB LEU B 17 5.852 -5.391 -7.493 1.00 0.00 C ATOM 557 CG LEU B 17 6.502 -5.875 -8.792 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.544 -6.762 -9.578 1.00 0.00 C ATOM 559 CD2 LEU B 17 6.947 -4.690 -9.635 1.00 0.00 C ATOM 0 H LEU B 17 3.506 -5.322 -6.578 1.00 0.00 H new ATOM 0 HA LEU B 17 5.399 -7.452 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.072 -4.671 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.601 -4.860 -6.905 1.00 0.00 H new ATOM 0 HG LEU B 17 7.380 -6.468 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.027 -7.094 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.274 -7.629 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.645 -6.198 -9.824 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.407 -5.050 -10.555 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.083 -4.072 -9.879 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.670 -4.097 -9.076 1.00 0.00 H new ATOM 571 N VAL B 18 5.435 -5.761 -4.315 1.00 0.00 N ATOM 572 CA VAL B 18 6.002 -5.737 -2.968 1.00 0.00 C ATOM 573 C VAL B 18 5.614 -6.987 -2.192 1.00 0.00 C ATOM 574 O VAL B 18 6.431 -7.567 -1.477 1.00 0.00 O ATOM 575 CB VAL B 18 5.543 -4.502 -2.164 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.238 -3.248 -2.662 1.00 0.00 C ATOM 577 CG2 VAL B 18 4.039 -4.342 -2.227 1.00 0.00 C ATOM 0 H VAL B 18 4.645 -5.131 -4.453 1.00 0.00 H new ATOM 0 HA VAL B 18 7.084 -5.694 -3.094 1.00 0.00 H new ATOM 0 HB VAL B 18 5.822 -4.656 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.900 -2.390 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.316 -3.360 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.998 -3.092 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.742 -3.465 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.729 -4.218 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.561 -5.228 -1.809 1.00 0.00 H new ATOM 587 N CYS B 19 4.360 -7.397 -2.339 1.00 0.00 N ATOM 588 CA CYS B 19 3.859 -8.578 -1.653 1.00 0.00 C ATOM 589 C CYS B 19 4.215 -9.842 -2.420 1.00 0.00 C ATOM 590 O CYS B 19 4.959 -10.692 -1.929 1.00 0.00 O ATOM 591 CB CYS B 19 2.349 -8.481 -1.473 1.00 0.00 C ATOM 592 SG CYS B 19 1.783 -6.898 -0.773 1.00 0.00 S ATOM 0 H CYS B 19 3.672 -6.928 -2.928 1.00 0.00 H new ATOM 0 HA CYS B 19 4.331 -8.629 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.868 -8.631 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.019 -9.292 -0.824 1.00 0.00 H new ATOM 597 N GLY B 20 3.683 -9.955 -3.628 1.00 0.00 N ATOM 598 CA GLY B 20 3.954 -11.116 -4.452 1.00 0.00 C ATOM 599 C GLY B 20 3.501 -12.408 -3.802 1.00 0.00 C ATOM 600 O GLY B 20 4.041 -12.813 -2.772 1.00 0.00 O ATOM 0 H GLY B 20 3.067 -9.262 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.452 -11.001 -5.413 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.023 -11.171 -4.656 1.00 0.00 H new ATOM 604 N GLU B 21 2.506 -13.055 -4.408 1.00 0.00 N ATOM 605 CA GLU B 21 1.962 -14.315 -3.899 1.00 0.00 C ATOM 606 C GLU B 21 0.914 -14.084 -2.809 1.00 0.00 C ATOM 607 O GLU B 21 0.137 -14.985 -2.492 1.00 0.00 O ATOM 608 CB GLU B 21 3.081 -15.219 -3.368 1.00 0.00 C ATOM 609 CG GLU B 21 2.967 -16.661 -3.833 1.00 0.00 C ATOM 610 CD GLU B 21 4.318 -17.332 -3.984 1.00 0.00 C ATOM 611 OE1 GLU B 21 5.246 -16.976 -3.227 1.00 0.00 O ATOM 612 OE2 GLU B 21 4.450 -18.214 -4.859 1.00 0.00 O ATOM 0 H GLU B 21 2.056 -12.723 -5.261 1.00 0.00 H new ATOM 0 HA GLU B 21 1.472 -14.812 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.043 -14.818 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.070 -15.195 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.364 -17.223 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.442 -16.691 -4.788 1.00 0.00 H new ATOM 619 N ARG B 22 0.887 -12.881 -2.237 1.00 0.00 N ATOM 620 CA ARG B 22 -0.075 -12.562 -1.191 1.00 0.00 C ATOM 621 C ARG B 22 -1.461 -12.326 -1.782 1.00 0.00 C ATOM 622 O ARG B 22 -2.409 -13.050 -1.478 1.00 0.00 O ATOM 623 CB ARG B 22 0.379 -11.328 -0.413 1.00 0.00 C ATOM 624 CG ARG B 22 1.190 -11.658 0.831 1.00 0.00 C ATOM 625 CD ARG B 22 2.681 -11.464 0.597 1.00 0.00 C ATOM 626 NE ARG B 22 3.481 -11.970 1.710 1.00 0.00 N ATOM 627 CZ ARG B 22 4.808 -12.079 1.681 1.00 0.00 C ATOM 628 NH1 ARG B 22 5.486 -11.716 0.599 1.00 0.00 N ATOM 629 NH2 ARG B 22 5.457 -12.548 2.738 1.00 0.00 N ATOM 0 H ARG B 22 1.518 -12.117 -2.481 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.131 -13.411 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.976 -10.695 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.498 -10.749 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.865 -11.024 1.656 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.999 -12.689 1.127 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.973 -11.974 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.890 -10.404 0.453 1.00 0.00 H new ATOM 0 HE ARG B 22 2.994 -12.257 2.559 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.991 -11.352 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.502 -11.801 0.582 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.940 -12.825 3.572 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.473 -12.632 2.717 1.00 0.00 H new ATOM 643 N GLY B 23 -1.567 -11.310 -2.628 1.00 0.00 N ATOM 644 CA GLY B 23 -2.837 -10.989 -3.253 1.00 0.00 C ATOM 645 C GLY B 23 -3.264 -9.555 -2.996 1.00 0.00 C ATOM 646 O GLY B 23 -4.057 -8.994 -3.752 1.00 0.00 O ATOM 0 H GLY B 23 -0.794 -10.700 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.762 -11.156 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.604 -11.666 -2.878 1.00 0.00 H new ATOM 650 N PHE B 24 -2.736 -8.971 -1.921 1.00 0.00 N ATOM 651 CA PHE B 24 -3.053 -7.596 -1.534 1.00 0.00 C ATOM 652 C PHE B 24 -4.555 -7.322 -1.576 1.00 0.00 C ATOM 653 O PHE B 24 -5.342 -8.161 -2.012 1.00 0.00 O ATOM 654 CB PHE B 24 -2.290 -6.589 -2.404 1.00 0.00 C ATOM 655 CG PHE B 24 -2.694 -6.575 -3.852 1.00 0.00 C ATOM 656 CD1 PHE B 24 -2.127 -7.461 -4.753 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.629 -5.662 -4.314 1.00 0.00 C ATOM 658 CE1 PHE B 24 -2.486 -7.439 -6.087 1.00 0.00 C ATOM 659 CE2 PHE B 24 -3.993 -5.637 -5.647 1.00 0.00 C ATOM 660 CZ PHE B 24 -3.420 -6.526 -6.535 1.00 0.00 C ATOM 0 H PHE B 24 -2.078 -9.436 -1.295 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.729 -7.471 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.434 -5.591 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.224 -6.809 -2.341 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.396 -8.177 -4.409 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.078 -4.962 -3.625 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.036 -8.136 -6.779 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.725 -4.923 -5.994 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.702 -6.507 -7.577 1.00 0.00 H new ATOM 670 N PHE B 25 -4.950 -6.150 -1.094 1.00 0.00 N ATOM 671 CA PHE B 25 -6.362 -5.782 -1.062 1.00 0.00 C ATOM 672 C PHE B 25 -6.639 -4.525 -1.886 1.00 0.00 C ATOM 673 O PHE B 25 -7.088 -4.618 -3.029 1.00 0.00 O ATOM 674 CB PHE B 25 -6.826 -5.589 0.386 1.00 0.00 C ATOM 675 CG PHE B 25 -8.249 -6.011 0.621 1.00 0.00 C ATOM 676 CD1 PHE B 25 -8.719 -7.218 0.127 1.00 0.00 C ATOM 677 CD2 PHE B 25 -9.116 -5.200 1.335 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.027 -7.607 0.342 1.00 0.00 C ATOM 679 CE2 PHE B 25 -10.425 -5.584 1.553 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.882 -6.788 1.055 1.00 0.00 C ATOM 0 H PHE B 25 -4.318 -5.441 -0.722 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.928 -6.598 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.173 -6.158 1.047 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.717 -4.539 0.657 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.055 -7.861 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.764 -4.257 1.726 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.381 -8.550 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.090 -4.943 2.112 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.906 -7.089 1.222 1.00 0.00 H new ATOM 690 N TYR B 26 -6.380 -3.352 -1.304 1.00 0.00 N ATOM 691 CA TYR B 26 -6.617 -2.081 -1.989 1.00 0.00 C ATOM 692 C TYR B 26 -7.948 -2.105 -2.740 1.00 0.00 C ATOM 693 O TYR B 26 -7.984 -2.343 -3.948 1.00 0.00 O ATOM 694 CB TYR B 26 -5.474 -1.770 -2.961 1.00 0.00 C ATOM 695 CG TYR B 26 -5.779 -0.628 -3.912 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.578 0.438 -3.516 1.00 0.00 C ATOM 697 CD2 TYR B 26 -5.273 -0.623 -5.205 1.00 0.00 C ATOM 698 CE1 TYR B 26 -6.863 1.476 -4.381 1.00 0.00 C ATOM 699 CE2 TYR B 26 -5.553 0.412 -6.077 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.348 1.459 -5.660 1.00 0.00 C ATOM 701 OH TYR B 26 -6.631 2.491 -6.525 1.00 0.00 O ATOM 0 H TYR B 26 -6.006 -3.257 -0.360 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.660 -1.297 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.578 -1.526 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.248 -2.665 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.983 0.455 -2.515 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.650 -1.441 -5.535 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.486 2.297 -4.057 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.151 0.401 -7.080 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.382 3.015 -6.175 1.00 0.00 H new ATOM 711 N THR B 27 -9.036 -1.865 -2.019 1.00 0.00 N ATOM 712 CA THR B 27 -10.363 -1.870 -2.625 1.00 0.00 C ATOM 713 C THR B 27 -11.025 -0.502 -2.508 1.00 0.00 C ATOM 714 O THR B 27 -10.716 0.277 -1.607 1.00 0.00 O ATOM 715 CB THR B 27 -11.240 -2.935 -1.965 1.00 0.00 C ATOM 716 OG1 THR B 27 -11.669 -2.510 -0.684 1.00 0.00 O ATOM 717 CG2 THR B 27 -10.536 -4.264 -1.796 1.00 0.00 C ATOM 0 H THR B 27 -9.027 -1.665 -1.019 1.00 0.00 H new ATOM 0 HA THR B 27 -10.251 -2.104 -3.684 1.00 0.00 H new ATOM 0 HB THR B 27 -12.087 -3.071 -2.638 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.230 -3.205 -0.280 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.212 -4.976 -1.322 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.236 -4.643 -2.773 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.653 -4.131 -1.171 1.00 0.00 H new ATOM 725 N LYS B 28 -11.943 -0.221 -3.428 1.00 0.00 N ATOM 726 CA LYS B 28 -12.660 1.049 -3.439 1.00 0.00 C ATOM 727 C LYS B 28 -13.290 1.332 -2.074 1.00 0.00 C ATOM 728 O LYS B 28 -13.195 0.512 -1.160 1.00 0.00 O ATOM 729 CB LYS B 28 -13.737 1.030 -4.527 1.00 0.00 C ATOM 730 CG LYS B 28 -13.459 1.980 -5.679 1.00 0.00 C ATOM 731 CD LYS B 28 -14.361 1.692 -6.867 1.00 0.00 C ATOM 732 CE LYS B 28 -15.624 2.539 -6.827 1.00 0.00 C ATOM 733 NZ LYS B 28 -16.785 1.780 -6.286 1.00 0.00 N ATOM 0 H LYS B 28 -12.208 -0.859 -4.178 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.948 1.846 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.828 0.016 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.697 1.287 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.608 3.008 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.416 1.890 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.819 1.888 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.630 0.636 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.449 3.422 -6.212 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.857 2.891 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.626 2.392 -6.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.968 0.951 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.573 1.466 -5.317 1.00 0.00 H new ATOM 747 N PRO B 29 -13.943 2.498 -1.914 1.00 0.00 N ATOM 748 CA PRO B 29 -14.583 2.877 -0.651 1.00 0.00 C ATOM 749 C PRO B 29 -15.435 1.755 -0.067 1.00 0.00 C ATOM 750 O PRO B 29 -16.443 1.357 -0.652 1.00 0.00 O ATOM 751 CB PRO B 29 -15.458 4.066 -1.047 1.00 0.00 C ATOM 752 CG PRO B 29 -14.753 4.677 -2.207 1.00 0.00 C ATOM 753 CD PRO B 29 -14.106 3.539 -2.949 1.00 0.00 C ATOM 0 HA PRO B 29 -13.852 3.105 0.125 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -16.464 3.746 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.559 4.775 -0.226 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -15.452 5.214 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -14.007 5.399 -1.874 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.730 3.191 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.147 3.833 -3.377 1.00 0.00 H new ATOM 761 N THR B 30 -15.021 1.248 1.090 1.00 0.00 N ATOM 762 CA THR B 30 -15.743 0.172 1.758 1.00 0.00 C ATOM 763 C THR B 30 -17.146 0.621 2.156 1.00 0.00 C ATOM 764 O THR B 30 -17.698 0.050 3.119 1.00 0.00 O ATOM 765 CB THR B 30 -14.972 -0.301 2.995 1.00 0.00 C ATOM 766 OG1 THR B 30 -13.795 0.468 3.180 1.00 0.00 O ATOM 767 CG2 THR B 30 -14.560 -1.756 2.922 1.00 0.00 C ATOM 768 OXT THR B 30 -17.679 1.541 1.501 1.00 0.00 O ATOM 0 H THR B 30 -14.188 1.566 1.585 1.00 0.00 H new ATOM 0 HA THR B 30 -15.834 -0.659 1.058 1.00 0.00 H new ATOM 0 HB THR B 30 -15.662 -0.174 3.830 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.131 0.218 2.504 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.018 -2.027 3.828 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.448 -2.381 2.829 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.917 -1.909 2.056 1.00 0.00 H new TER 776 THR B 30