USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=13 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= -0.0149 (180deg=-0.0149) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00162 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0936 K(o=-0.094,f=-1.2!) USER MOD Single : A 18 ASN : amide:sc= -0.35 K(o=-0.35,f=-3.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 168:sc= -0.0465 (180deg=-0.226) USER MOD Single : B 3 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.4) USER MOD Single : B 4 GLN : amide:sc= -0.529 K(o=-0.53,f=-1.9!) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -9.23! C(o=-11!,f=-9.2!) 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= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.578! USER MOD Single : B 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0533) USER MOD Single : B 30 THR OG1 : rot -67:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.712 5.382 3.963 1.00 0.00 N ATOM 2 CA GLY A 1 -0.696 6.410 4.460 1.00 0.00 C ATOM 3 C GLY A 1 0.704 6.365 3.951 1.00 0.00 C ATOM 4 O GLY A 1 1.545 7.147 4.348 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.632 5.556 4.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.813 5.464 2.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.384 4.425 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.094 7.399 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.651 6.326 5.546 1.00 0.00 H new ATOM 10 N ILE A 2 0.991 5.462 3.053 1.00 0.00 N ATOM 11 CA ILE A 2 2.369 5.375 2.497 1.00 0.00 C ATOM 12 C ILE A 2 2.348 5.925 1.075 1.00 0.00 C ATOM 13 O ILE A 2 3.316 6.469 0.584 1.00 0.00 O ATOM 14 CB ILE A 2 2.830 3.917 2.485 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.074 3.780 1.602 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.713 3.035 1.929 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.918 2.602 2.090 1.00 0.00 C ATOM 0 H ILE A 2 0.329 4.781 2.681 1.00 0.00 H new ATOM 0 HA ILE A 2 3.060 5.953 3.111 1.00 0.00 H new ATOM 0 HB ILE A 2 3.070 3.604 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.781 3.626 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.659 4.699 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.041 1.995 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.827 3.131 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.473 3.349 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.803 2.504 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.223 2.775 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.330 1.686 2.034 1.00 0.00 H new ATOM 29 N VAL A 3 1.232 5.788 0.418 1.00 0.00 N ATOM 30 CA VAL A 3 1.107 6.298 -0.969 1.00 0.00 C ATOM 31 C VAL A 3 1.464 7.788 -0.989 1.00 0.00 C ATOM 32 O VAL A 3 2.058 8.280 -1.928 1.00 0.00 O ATOM 33 CB VAL A 3 -0.340 6.078 -1.435 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.720 7.100 -2.504 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.476 4.668 -2.014 1.00 0.00 C ATOM 0 H VAL A 3 0.394 5.340 0.789 1.00 0.00 H new ATOM 0 HA VAL A 3 1.785 5.771 -1.641 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.006 6.198 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.748 6.929 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.630 8.106 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.053 6.996 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.502 4.508 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.201 4.556 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.224 3.934 -1.248 1.00 0.00 H new ATOM 45 N GLU A 4 1.113 8.507 0.040 1.00 0.00 N ATOM 46 CA GLU A 4 1.439 9.960 0.077 1.00 0.00 C ATOM 47 C GLU A 4 2.707 10.180 0.905 1.00 0.00 C ATOM 48 O GLU A 4 3.167 11.292 1.069 1.00 0.00 O ATOM 49 CB GLU A 4 0.278 10.729 0.709 1.00 0.00 C ATOM 50 CG GLU A 4 -0.854 10.865 -0.308 1.00 0.00 C ATOM 51 CD GLU A 4 -1.298 12.327 -0.385 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.435 13.181 -0.509 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.492 12.568 -0.317 1.00 0.00 O ATOM 0 H GLU A 4 0.615 8.152 0.856 1.00 0.00 H new ATOM 0 HA GLU A 4 1.602 10.319 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.077 10.207 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.613 11.715 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.520 10.523 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.694 10.233 -0.019 1.00 0.00 H new ATOM 60 N GLN A 5 3.277 9.128 1.429 1.00 0.00 N ATOM 61 CA GLN A 5 4.514 9.282 2.245 1.00 0.00 C ATOM 62 C GLN A 5 5.739 9.047 1.359 1.00 0.00 C ATOM 63 O GLN A 5 6.762 9.684 1.518 1.00 0.00 O ATOM 64 CB GLN A 5 4.502 8.261 3.385 1.00 0.00 C ATOM 65 CG GLN A 5 5.276 8.825 4.579 1.00 0.00 C ATOM 66 CD GLN A 5 5.738 7.678 5.479 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.153 6.613 5.478 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.774 7.852 6.255 1.00 0.00 N ATOM 0 H GLN A 5 2.940 8.171 1.327 1.00 0.00 H new ATOM 0 HA GLN A 5 4.555 10.289 2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.476 8.036 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.952 7.325 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.136 9.396 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.645 9.512 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.266 8.746 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.091 7.094 6.860 1.00 0.00 H new ATOM 77 N CYS A 6 5.641 8.143 0.426 1.00 0.00 N ATOM 78 CA CYS A 6 6.797 7.870 -0.472 1.00 0.00 C ATOM 79 C CYS A 6 6.637 8.677 -1.760 1.00 0.00 C ATOM 80 O CYS A 6 7.595 8.970 -2.446 1.00 0.00 O ATOM 81 CB CYS A 6 6.845 6.377 -0.804 1.00 0.00 C ATOM 82 SG CYS A 6 7.033 5.425 0.725 1.00 0.00 S ATOM 0 H CYS A 6 4.809 7.580 0.246 1.00 0.00 H new ATOM 0 HA CYS A 6 7.723 8.158 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.933 6.079 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.676 6.170 -1.479 1.00 0.00 H new ATOM 87 N CYS A 7 5.430 9.039 -2.092 1.00 0.00 N ATOM 88 CA CYS A 7 5.206 9.827 -3.335 1.00 0.00 C ATOM 89 C CYS A 7 5.388 11.318 -3.038 1.00 0.00 C ATOM 90 O CYS A 7 5.712 12.098 -3.911 1.00 0.00 O ATOM 91 CB CYS A 7 3.791 9.567 -3.856 1.00 0.00 C ATOM 92 SG CYS A 7 3.774 9.753 -5.655 1.00 0.00 S ATOM 0 H CYS A 7 4.589 8.823 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 7 5.928 9.525 -4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.468 8.563 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.089 10.265 -3.400 1.00 0.00 H new ATOM 97 N THR A 8 5.195 11.719 -1.811 1.00 0.00 N ATOM 98 CA THR A 8 5.372 13.157 -1.462 1.00 0.00 C ATOM 99 C THR A 8 6.624 13.304 -0.599 1.00 0.00 C ATOM 100 O THR A 8 7.278 14.328 -0.596 1.00 0.00 O ATOM 101 CB THR A 8 4.152 13.656 -0.686 1.00 0.00 C ATOM 102 OG1 THR A 8 3.019 13.664 -1.543 1.00 0.00 O ATOM 103 CG2 THR A 8 4.417 15.072 -0.173 1.00 0.00 C ATOM 0 H THR A 8 4.923 11.114 -1.036 1.00 0.00 H new ATOM 0 HA THR A 8 5.477 13.747 -2.373 1.00 0.00 H new ATOM 0 HB THR A 8 3.963 12.995 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.236 13.982 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.547 15.427 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.287 15.064 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.606 15.735 -1.017 1.00 0.00 H new ATOM 111 N SER A 9 6.963 12.278 0.125 1.00 0.00 N ATOM 112 CA SER A 9 8.175 12.331 0.986 1.00 0.00 C ATOM 113 C SER A 9 9.060 11.124 0.671 1.00 0.00 C ATOM 114 O SER A 9 9.041 10.600 -0.424 1.00 0.00 O ATOM 115 CB SER A 9 7.764 12.290 2.460 1.00 0.00 C ATOM 116 OG SER A 9 8.452 13.312 3.168 1.00 0.00 O ATOM 0 H SER A 9 6.449 11.398 0.158 1.00 0.00 H new ATOM 0 HA SER A 9 8.722 13.254 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.687 12.429 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.998 11.315 2.888 1.00 0.00 H new ATOM 0 HG SER A 9 8.190 13.289 4.112 1.00 0.00 H new ATOM 122 N ILE A 10 9.831 10.674 1.620 1.00 0.00 N ATOM 123 CA ILE A 10 10.708 9.498 1.363 1.00 0.00 C ATOM 124 C ILE A 10 10.459 8.435 2.432 1.00 0.00 C ATOM 125 O ILE A 10 10.020 8.729 3.527 1.00 0.00 O ATOM 126 CB ILE A 10 12.181 9.925 1.410 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.529 10.770 0.177 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.070 8.684 1.439 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.958 12.177 0.348 1.00 0.00 C ATOM 0 H ILE A 10 9.892 11.067 2.559 1.00 0.00 H new ATOM 0 HA ILE A 10 10.481 9.092 0.377 1.00 0.00 H new ATOM 0 HB ILE A 10 12.347 10.520 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.610 10.818 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.121 10.307 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.117 8.987 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.836 8.089 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.893 8.089 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.204 12.778 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.875 12.120 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.387 12.638 1.238 1.00 0.00 H new ATOM 141 N CYS A 11 10.741 7.201 2.122 1.00 0.00 N ATOM 142 CA CYS A 11 10.528 6.113 3.119 1.00 0.00 C ATOM 143 C CYS A 11 11.734 5.171 3.104 1.00 0.00 C ATOM 144 O CYS A 11 12.209 4.773 2.059 1.00 0.00 O ATOM 145 CB CYS A 11 9.258 5.327 2.773 1.00 0.00 C ATOM 146 SG CYS A 11 9.032 5.273 0.977 1.00 0.00 S ATOM 0 H CYS A 11 11.110 6.897 1.221 1.00 0.00 H new ATOM 0 HA CYS A 11 10.416 6.550 4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.328 4.314 3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.392 5.794 3.243 1.00 0.00 H new ATOM 151 N SER A 12 12.236 4.815 4.256 1.00 0.00 N ATOM 152 CA SER A 12 13.413 3.902 4.306 1.00 0.00 C ATOM 153 C SER A 12 12.949 2.457 4.115 1.00 0.00 C ATOM 154 O SER A 12 11.780 2.148 4.231 1.00 0.00 O ATOM 155 CB SER A 12 14.109 4.038 5.660 1.00 0.00 C ATOM 156 OG SER A 12 13.553 3.097 6.570 1.00 0.00 O ATOM 0 H SER A 12 11.882 5.117 5.164 1.00 0.00 H new ATOM 0 HA SER A 12 14.110 4.168 3.511 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.180 3.866 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.986 5.050 6.045 1.00 0.00 H new ATOM 0 HG SER A 12 13.998 3.180 7.439 1.00 0.00 H new ATOM 162 N LEU A 13 13.858 1.565 3.825 1.00 0.00 N ATOM 163 CA LEU A 13 13.469 0.141 3.629 1.00 0.00 C ATOM 164 C LEU A 13 12.810 -0.386 4.905 1.00 0.00 C ATOM 165 O LEU A 13 11.759 -0.993 4.867 1.00 0.00 O ATOM 166 CB LEU A 13 14.715 -0.690 3.315 1.00 0.00 C ATOM 167 CG LEU A 13 15.091 -0.513 1.843 1.00 0.00 C ATOM 168 CD1 LEU A 13 15.387 0.961 1.565 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.334 -1.349 1.530 1.00 0.00 C ATOM 0 H LEU A 13 14.853 1.762 3.716 1.00 0.00 H new ATOM 0 HA LEU A 13 12.766 0.066 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.543 -0.378 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.526 -1.742 3.529 1.00 0.00 H new ATOM 0 HG LEU A 13 14.263 -0.842 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.655 1.087 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.503 1.558 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 13 16.215 1.291 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.602 -1.223 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 13 17.162 -1.020 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.125 -2.400 1.727 1.00 0.00 H new ATOM 181 N TYR A 14 13.417 -0.153 6.038 1.00 0.00 N ATOM 182 CA TYR A 14 12.820 -0.639 7.312 1.00 0.00 C ATOM 183 C TYR A 14 11.333 -0.287 7.333 1.00 0.00 C ATOM 184 O TYR A 14 10.491 -1.114 7.623 1.00 0.00 O ATOM 185 CB TYR A 14 13.523 0.030 8.495 1.00 0.00 C ATOM 186 CG TYR A 14 13.206 -0.725 9.764 1.00 0.00 C ATOM 187 CD1 TYR A 14 11.920 -0.657 10.317 1.00 0.00 C ATOM 188 CD2 TYR A 14 14.198 -1.495 10.387 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.626 -1.359 11.493 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.902 -2.197 11.564 1.00 0.00 C ATOM 191 CZ TYR A 14 12.616 -2.129 12.117 1.00 0.00 C ATOM 192 OH TYR A 14 12.326 -2.820 13.276 1.00 0.00 O ATOM 0 H TYR A 14 14.298 0.352 6.135 1.00 0.00 H new ATOM 0 HA TYR A 14 12.942 -1.720 7.387 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.600 0.047 8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.198 1.067 8.586 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.156 -0.064 9.837 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.189 -1.547 9.961 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.635 -1.307 11.919 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.665 -2.791 12.045 1.00 0.00 H new ATOM 0 HH TYR A 14 13.123 -3.304 13.577 1.00 0.00 H new ATOM 202 N GLN A 15 11.000 0.935 7.016 1.00 0.00 N ATOM 203 CA GLN A 15 9.568 1.333 7.008 1.00 0.00 C ATOM 204 C GLN A 15 8.881 0.691 5.803 1.00 0.00 C ATOM 205 O GLN A 15 7.738 0.284 5.867 1.00 0.00 O ATOM 206 CB GLN A 15 9.454 2.855 6.900 1.00 0.00 C ATOM 207 CG GLN A 15 9.920 3.502 8.205 1.00 0.00 C ATOM 208 CD GLN A 15 8.763 3.522 9.207 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.632 3.781 8.842 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.998 3.260 10.463 1.00 0.00 N ATOM 0 H GLN A 15 11.658 1.672 6.763 1.00 0.00 H new ATOM 0 HA GLN A 15 9.093 1.001 7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.058 3.216 6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.422 3.138 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.763 2.947 8.618 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.269 4.517 8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.946 3.043 10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.234 3.272 11.138 1.00 0.00 H new ATOM 219 N LEU A 16 9.577 0.598 4.704 1.00 0.00 N ATOM 220 CA LEU A 16 8.977 -0.016 3.488 1.00 0.00 C ATOM 221 C LEU A 16 8.831 -1.522 3.703 1.00 0.00 C ATOM 222 O LEU A 16 8.037 -2.177 3.058 1.00 0.00 O ATOM 223 CB LEU A 16 9.887 0.252 2.286 1.00 0.00 C ATOM 224 CG LEU A 16 9.056 0.821 1.136 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.567 2.217 0.778 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.181 -0.092 -0.086 1.00 0.00 C ATOM 0 H LEU A 16 10.538 0.922 4.596 1.00 0.00 H new ATOM 0 HA LEU A 16 7.995 0.417 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.675 0.953 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.376 -0.671 1.974 1.00 0.00 H new ATOM 0 HG LEU A 16 8.011 0.882 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.974 2.622 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.480 2.870 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.612 2.155 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.588 0.314 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.226 -0.153 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.818 -1.088 0.166 1.00 0.00 H new ATOM 238 N GLU A 17 9.584 -2.073 4.612 1.00 0.00 N ATOM 239 CA GLU A 17 9.480 -3.534 4.874 1.00 0.00 C ATOM 240 C GLU A 17 8.265 -3.794 5.760 1.00 0.00 C ATOM 241 O GLU A 17 7.775 -4.903 5.853 1.00 0.00 O ATOM 242 CB GLU A 17 10.745 -4.027 5.579 1.00 0.00 C ATOM 243 CG GLU A 17 11.977 -3.592 4.782 1.00 0.00 C ATOM 244 CD GLU A 17 12.850 -4.813 4.486 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.493 -5.294 5.405 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.863 -5.245 3.346 1.00 0.00 O ATOM 0 H GLU A 17 10.266 -1.576 5.184 1.00 0.00 H new ATOM 0 HA GLU A 17 9.370 -4.068 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.792 -3.622 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.723 -5.113 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.671 -3.116 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.546 -2.853 5.346 1.00 0.00 H new ATOM 253 N ASN A 18 7.757 -2.773 6.391 1.00 0.00 N ATOM 254 CA ASN A 18 6.555 -2.953 7.247 1.00 0.00 C ATOM 255 C ASN A 18 5.328 -3.087 6.344 1.00 0.00 C ATOM 256 O ASN A 18 4.214 -3.231 6.807 1.00 0.00 O ATOM 257 CB ASN A 18 6.387 -1.728 8.146 1.00 0.00 C ATOM 258 CG ASN A 18 6.948 -2.032 9.536 1.00 0.00 C ATOM 259 OD1 ASN A 18 7.390 -3.133 9.799 1.00 0.00 O ATOM 260 ND2 ASN A 18 6.949 -1.095 10.445 1.00 0.00 N ATOM 0 H ASN A 18 8.123 -1.822 6.350 1.00 0.00 H new ATOM 0 HA ASN A 18 6.666 -3.844 7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.905 -0.872 7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.333 -1.459 8.219 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.321 -1.287 11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.578 -0.171 10.225 1.00 0.00 H new ATOM 267 N TYR A 19 5.527 -3.026 5.054 1.00 0.00 N ATOM 268 CA TYR A 19 4.389 -3.133 4.114 1.00 0.00 C ATOM 269 C TYR A 19 4.405 -4.507 3.445 1.00 0.00 C ATOM 270 O TYR A 19 3.474 -4.889 2.766 1.00 0.00 O ATOM 271 CB TYR A 19 4.534 -2.033 3.067 1.00 0.00 C ATOM 272 CG TYR A 19 4.350 -0.690 3.741 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.061 -0.171 3.942 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.469 0.031 4.181 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.897 1.067 4.578 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.302 1.268 4.817 1.00 0.00 C ATOM 277 CZ TYR A 19 4.017 1.786 5.016 1.00 0.00 C ATOM 278 OH TYR A 19 3.852 3.004 5.643 1.00 0.00 O ATOM 0 H TYR A 19 6.439 -2.906 4.614 1.00 0.00 H new ATOM 0 HA TYR A 19 3.443 -3.019 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.515 -2.087 2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.794 -2.164 2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.197 -0.725 3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.461 -0.368 4.029 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.906 1.467 4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.165 1.822 5.154 1.00 0.00 H new ATOM 0 HH TYR A 19 4.729 3.369 5.884 1.00 0.00 H new ATOM 288 N CYS A 20 5.456 -5.257 3.634 1.00 0.00 N ATOM 289 CA CYS A 20 5.523 -6.608 3.013 1.00 0.00 C ATOM 290 C CYS A 20 4.721 -7.591 3.868 1.00 0.00 C ATOM 291 O CYS A 20 4.320 -7.281 4.973 1.00 0.00 O ATOM 292 CB CYS A 20 6.978 -7.076 2.934 1.00 0.00 C ATOM 293 SG CYS A 20 8.059 -5.684 2.517 1.00 0.00 S ATOM 0 H CYS A 20 6.269 -4.993 4.190 1.00 0.00 H new ATOM 0 HA CYS A 20 5.108 -6.564 2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.281 -7.509 3.887 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.076 -7.860 2.183 1.00 0.00 H new ATOM 298 N ASN A 21 4.481 -8.773 3.370 1.00 0.00 N ATOM 299 CA ASN A 21 3.704 -9.769 4.162 1.00 0.00 C ATOM 300 C ASN A 21 4.662 -10.781 4.794 1.00 0.00 C ATOM 301 O ASN A 21 4.839 -11.840 4.216 1.00 0.00 O ATOM 302 CB ASN A 21 2.723 -10.500 3.245 1.00 0.00 C ATOM 303 CG ASN A 21 1.339 -10.529 3.895 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.420 -9.886 3.425 1.00 0.00 O ATOM 305 ND2 ASN A 21 1.149 -11.250 4.965 1.00 0.00 N ATOM 306 OXT ASN A 21 5.202 -10.479 5.845 1.00 0.00 O ATOM 0 H ASN A 21 4.788 -9.092 2.451 1.00 0.00 H new ATOM 0 HA ASN A 21 3.151 -9.253 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.671 -10.000 2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.071 -11.516 3.060 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.230 -11.274 5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.919 -11.790 5.360 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 19.877 3.364 -3.321 1.00 0.00 N ATOM 315 CA PHE B 1 18.641 3.029 -2.558 1.00 0.00 C ATOM 316 C PHE B 1 18.565 3.901 -1.304 1.00 0.00 C ATOM 317 O PHE B 1 18.005 3.513 -0.298 1.00 0.00 O ATOM 318 CB PHE B 1 18.677 1.555 -2.150 1.00 0.00 C ATOM 319 CG PHE B 1 17.649 0.782 -2.944 1.00 0.00 C ATOM 320 CD1 PHE B 1 17.982 0.266 -4.203 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.367 0.575 -2.418 1.00 0.00 C ATOM 322 CE1 PHE B 1 17.033 -0.457 -4.937 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.417 -0.147 -3.154 1.00 0.00 C ATOM 324 CZ PHE B 1 15.750 -0.664 -4.413 1.00 0.00 C ATOM 0 H1 PHE B 1 20.038 2.645 -4.055 1.00 0.00 H new ATOM 0 H2 PHE B 1 19.767 4.296 -3.768 1.00 0.00 H new ATOM 0 H3 PHE B 1 20.690 3.385 -2.673 1.00 0.00 H new ATOM 0 HA PHE B 1 17.767 3.212 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE B 1 19.671 1.143 -2.325 1.00 0.00 H new ATOM 0 HB3 PHE B 1 18.475 1.458 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE B 1 18.970 0.426 -4.608 1.00 0.00 H new ATOM 0 HD2 PHE B 1 16.111 0.971 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.290 -0.855 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.428 -0.305 -2.750 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.018 -1.222 -4.979 1.00 0.00 H new ATOM 336 N VAL B 2 19.124 5.079 -1.357 1.00 0.00 N ATOM 337 CA VAL B 2 19.083 5.979 -0.170 1.00 0.00 C ATOM 338 C VAL B 2 17.720 6.667 -0.105 1.00 0.00 C ATOM 339 O VAL B 2 16.801 6.310 -0.814 1.00 0.00 O ATOM 340 CB VAL B 2 20.182 7.034 -0.299 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.547 6.346 -0.341 1.00 0.00 C ATOM 342 CG2 VAL B 2 19.974 7.827 -1.591 1.00 0.00 C ATOM 0 H VAL B 2 19.608 5.457 -2.172 1.00 0.00 H new ATOM 0 HA VAL B 2 19.241 5.398 0.739 1.00 0.00 H new ATOM 0 HB VAL B 2 20.141 7.709 0.556 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.331 7.098 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.696 5.777 0.577 1.00 0.00 H new ATOM 0 HG13 VAL B 2 21.589 5.672 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL B 2 20.756 8.580 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL B 2 20.017 7.150 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL B 2 19.000 8.316 -1.565 1.00 0.00 H new ATOM 352 N ASN B 3 17.585 7.652 0.740 1.00 0.00 N ATOM 353 CA ASN B 3 16.282 8.369 0.852 1.00 0.00 C ATOM 354 C ASN B 3 15.711 8.608 -0.548 1.00 0.00 C ATOM 355 O ASN B 3 16.288 9.315 -1.350 1.00 0.00 O ATOM 356 CB ASN B 3 16.503 9.713 1.550 1.00 0.00 C ATOM 357 CG ASN B 3 17.276 9.491 2.853 1.00 0.00 C ATOM 358 OD1 ASN B 3 18.464 9.735 2.916 1.00 0.00 O ATOM 359 ND2 ASN B 3 16.646 9.034 3.901 1.00 0.00 N ATOM 0 H ASN B 3 18.321 7.992 1.359 1.00 0.00 H new ATOM 0 HA ASN B 3 15.581 7.768 1.432 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.057 10.387 0.897 1.00 0.00 H new ATOM 0 HB3 ASN B 3 15.545 10.188 1.760 1.00 0.00 H new ATOM 0 HD21 ASN B 3 17.152 8.882 4.774 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.648 8.829 3.847 1.00 0.00 H new ATOM 366 N GLN B 4 14.590 8.009 -0.857 1.00 0.00 N ATOM 367 CA GLN B 4 14.003 8.190 -2.212 1.00 0.00 C ATOM 368 C GLN B 4 12.472 8.277 -2.124 1.00 0.00 C ATOM 369 O GLN B 4 11.865 7.856 -1.156 1.00 0.00 O ATOM 370 CB GLN B 4 14.409 6.989 -3.072 1.00 0.00 C ATOM 371 CG GLN B 4 13.492 6.868 -4.292 1.00 0.00 C ATOM 372 CD GLN B 4 14.118 5.913 -5.309 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.456 5.030 -5.819 1.00 0.00 O ATOM 374 NE2 GLN B 4 15.375 6.054 -5.628 1.00 0.00 N ATOM 0 H GLN B 4 14.059 7.405 -0.230 1.00 0.00 H new ATOM 0 HA GLN B 4 14.371 9.115 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.443 7.100 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.358 6.076 -2.479 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.512 6.501 -3.988 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.339 7.848 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.930 6.795 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.803 5.423 -6.306 1.00 0.00 H new ATOM 383 N HIS B 5 11.847 8.817 -3.143 1.00 0.00 N ATOM 384 CA HIS B 5 10.363 8.933 -3.147 1.00 0.00 C ATOM 385 C HIS B 5 9.779 7.824 -4.027 1.00 0.00 C ATOM 386 O HIS B 5 10.258 7.567 -5.113 1.00 0.00 O ATOM 387 CB HIS B 5 9.948 10.291 -3.721 1.00 0.00 C ATOM 388 CG HIS B 5 10.797 11.385 -3.132 1.00 0.00 C ATOM 389 ND1 HIS B 5 12.156 11.537 -3.061 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 10.229 12.494 -2.542 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 12.437 12.731 -2.433 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 11.239 13.275 -2.137 1.00 0.00 N flip ATOM 0 H HIS B 5 12.309 9.183 -3.975 1.00 0.00 H new ATOM 0 HA HIS B 5 9.991 8.842 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.053 10.283 -4.806 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.897 10.480 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS B 5 9.174 12.694 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.412 13.144 -2.222 1.00 0.00 H new ATOM 0 HE2 HIS B 5 11.117 14.170 -1.663 1.00 0.00 H new ATOM 400 N LEU B 6 8.750 7.168 -3.568 1.00 0.00 N ATOM 401 CA LEU B 6 8.138 6.077 -4.379 1.00 0.00 C ATOM 402 C LEU B 6 6.671 6.417 -4.662 1.00 0.00 C ATOM 403 O LEU B 6 6.183 7.458 -4.274 1.00 0.00 O ATOM 404 CB LEU B 6 8.240 4.762 -3.605 1.00 0.00 C ATOM 405 CG LEU B 6 9.667 4.604 -3.069 1.00 0.00 C ATOM 406 CD1 LEU B 6 9.816 3.253 -2.371 1.00 0.00 C ATOM 407 CD2 LEU B 6 10.663 4.678 -4.228 1.00 0.00 C ATOM 0 H LEU B 6 8.306 7.340 -2.666 1.00 0.00 H new ATOM 0 HA LEU B 6 8.665 5.974 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU B 6 7.526 4.754 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.987 3.923 -4.254 1.00 0.00 H new ATOM 0 HG LEU B 6 9.867 5.405 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU B 6 10.833 3.149 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU B 6 9.112 3.193 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU B 6 9.609 2.452 -3.081 1.00 0.00 H new ATOM 0 HD21 LEU B 6 11.677 4.565 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.453 3.879 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.569 5.642 -4.727 1.00 0.00 H new ATOM 419 N CYS B 7 5.963 5.555 -5.345 1.00 0.00 N ATOM 420 CA CYS B 7 4.533 5.850 -5.653 1.00 0.00 C ATOM 421 C CYS B 7 3.865 4.619 -6.255 1.00 0.00 C ATOM 422 O CYS B 7 4.353 4.056 -7.211 1.00 0.00 O ATOM 423 CB CYS B 7 4.449 6.980 -6.677 1.00 0.00 C ATOM 424 SG CYS B 7 3.003 8.010 -6.323 1.00 0.00 S ATOM 0 H CYS B 7 6.311 4.665 -5.701 1.00 0.00 H new ATOM 0 HA CYS B 7 4.032 6.136 -4.728 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.356 7.584 -6.643 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.378 6.568 -7.684 1.00 0.00 H new ATOM 429 N GLY B 8 2.742 4.225 -5.712 1.00 0.00 N ATOM 430 CA GLY B 8 1.996 3.046 -6.246 1.00 0.00 C ATOM 431 C GLY B 8 2.954 2.002 -6.821 1.00 0.00 C ATOM 432 O GLY B 8 3.377 1.093 -6.137 1.00 0.00 O ATOM 0 H GLY B 8 2.304 4.677 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.400 2.598 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.301 3.372 -7.020 1.00 0.00 H new ATOM 436 N SER B 9 3.294 2.125 -8.076 1.00 0.00 N ATOM 437 CA SER B 9 4.218 1.136 -8.699 1.00 0.00 C ATOM 438 C SER B 9 5.574 1.192 -8.000 1.00 0.00 C ATOM 439 O SER B 9 6.010 0.224 -7.417 1.00 0.00 O ATOM 440 CB SER B 9 4.390 1.460 -10.183 1.00 0.00 C ATOM 441 OG SER B 9 4.882 0.310 -10.860 1.00 0.00 O ATOM 0 H SER B 9 2.971 2.868 -8.696 1.00 0.00 H new ATOM 0 HA SER B 9 3.800 0.135 -8.595 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.437 1.769 -10.613 1.00 0.00 H new ATOM 0 HB3 SER B 9 5.081 2.293 -10.308 1.00 0.00 H new ATOM 0 HG SER B 9 4.992 0.513 -11.812 1.00 0.00 H new ATOM 447 N ASP B 10 6.244 2.313 -8.042 1.00 0.00 N ATOM 448 CA ASP B 10 7.565 2.397 -7.357 1.00 0.00 C ATOM 449 C ASP B 10 7.414 1.793 -5.965 1.00 0.00 C ATOM 450 O ASP B 10 8.330 1.206 -5.424 1.00 0.00 O ATOM 451 CB ASP B 10 8.003 3.858 -7.244 1.00 0.00 C ATOM 452 CG ASP B 10 9.020 4.168 -8.343 1.00 0.00 C ATOM 453 OD1 ASP B 10 8.963 3.523 -9.376 1.00 0.00 O ATOM 454 OD2 ASP B 10 9.842 5.046 -8.132 1.00 0.00 O ATOM 0 H ASP B 10 5.938 3.164 -8.515 1.00 0.00 H new ATOM 0 HA ASP B 10 8.320 1.854 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.139 4.517 -7.336 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.442 4.043 -6.264 1.00 0.00 H new ATOM 459 N LEU B 11 6.247 1.910 -5.392 1.00 0.00 N ATOM 460 CA LEU B 11 6.015 1.319 -4.052 1.00 0.00 C ATOM 461 C LEU B 11 5.972 -0.199 -4.207 1.00 0.00 C ATOM 462 O LEU B 11 6.668 -0.924 -3.525 1.00 0.00 O ATOM 463 CB LEU B 11 4.688 1.826 -3.489 1.00 0.00 C ATOM 464 CG LEU B 11 4.910 3.175 -2.806 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.561 3.785 -2.428 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.749 2.973 -1.542 1.00 0.00 C ATOM 0 H LEU B 11 5.445 2.391 -5.799 1.00 0.00 H new ATOM 0 HA LEU B 11 6.813 1.604 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.955 1.927 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.284 1.107 -2.776 1.00 0.00 H new ATOM 0 HG LEU B 11 5.433 3.845 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.720 4.747 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.962 3.928 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.037 3.115 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.908 3.934 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.225 2.302 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.712 2.538 -1.810 1.00 0.00 H new ATOM 478 N VAL B 12 5.181 -0.686 -5.130 1.00 0.00 N ATOM 479 CA VAL B 12 5.126 -2.154 -5.357 1.00 0.00 C ATOM 480 C VAL B 12 6.467 -2.581 -5.959 1.00 0.00 C ATOM 481 O VAL B 12 6.835 -3.739 -5.949 1.00 0.00 O ATOM 482 CB VAL B 12 3.961 -2.501 -6.314 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.891 -1.414 -6.263 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.456 -2.640 -7.759 1.00 0.00 C ATOM 0 H VAL B 12 4.575 -0.129 -5.732 1.00 0.00 H new ATOM 0 HA VAL B 12 4.951 -2.682 -4.420 1.00 0.00 H new ATOM 0 HB VAL B 12 3.540 -3.452 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.078 -1.672 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.504 -1.332 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.326 -0.461 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.616 -2.884 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.904 -1.700 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.200 -3.435 -7.814 1.00 0.00 H new ATOM 494 N GLU B 13 7.197 -1.632 -6.480 1.00 0.00 N ATOM 495 CA GLU B 13 8.516 -1.929 -7.086 1.00 0.00 C ATOM 496 C GLU B 13 9.558 -1.933 -5.973 1.00 0.00 C ATOM 497 O GLU B 13 10.290 -2.887 -5.795 1.00 0.00 O ATOM 498 CB GLU B 13 8.835 -0.844 -8.113 1.00 0.00 C ATOM 499 CG GLU B 13 8.651 -1.412 -9.521 1.00 0.00 C ATOM 500 CD GLU B 13 9.068 -0.364 -10.555 1.00 0.00 C ATOM 501 OE1 GLU B 13 10.167 0.151 -10.437 1.00 0.00 O ATOM 502 OE2 GLU B 13 8.280 -0.096 -11.447 1.00 0.00 O ATOM 0 H GLU B 13 6.926 -0.649 -6.509 1.00 0.00 H new ATOM 0 HA GLU B 13 8.514 -2.898 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.181 0.015 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.858 -0.492 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.250 -2.315 -9.641 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.610 -1.697 -9.676 1.00 0.00 H new ATOM 509 N ALA B 14 9.606 -0.890 -5.192 1.00 0.00 N ATOM 510 CA ALA B 14 10.568 -0.870 -4.064 1.00 0.00 C ATOM 511 C ALA B 14 10.187 -2.022 -3.141 1.00 0.00 C ATOM 512 O ALA B 14 10.999 -2.851 -2.788 1.00 0.00 O ATOM 513 CB ALA B 14 10.462 0.459 -3.313 1.00 0.00 C ATOM 0 H ALA B 14 9.024 -0.058 -5.287 1.00 0.00 H new ATOM 0 HA ALA B 14 11.593 -0.975 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.171 0.467 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.688 1.280 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.450 0.578 -2.925 1.00 0.00 H new ATOM 519 N LEU B 15 8.930 -2.094 -2.787 1.00 0.00 N ATOM 520 CA LEU B 15 8.446 -3.201 -1.930 1.00 0.00 C ATOM 521 C LEU B 15 8.816 -4.521 -2.605 1.00 0.00 C ATOM 522 O LEU B 15 9.243 -5.467 -1.975 1.00 0.00 O ATOM 523 CB LEU B 15 6.926 -3.094 -1.825 1.00 0.00 C ATOM 524 CG LEU B 15 6.552 -1.967 -0.862 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.171 -1.419 -1.225 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.520 -2.508 0.566 1.00 0.00 C ATOM 0 H LEU B 15 8.214 -1.421 -3.062 1.00 0.00 H new ATOM 0 HA LEU B 15 8.891 -3.152 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.497 -2.902 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.509 -4.038 -1.474 1.00 0.00 H new ATOM 0 HG LEU B 15 7.291 -1.169 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.906 -0.616 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.189 -1.033 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.432 -2.217 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU B 15 6.253 -1.705 1.253 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.781 -3.306 0.636 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.503 -2.899 0.829 1.00 0.00 H new ATOM 538 N TYR B 16 8.647 -4.570 -3.896 1.00 0.00 N ATOM 539 CA TYR B 16 8.973 -5.798 -4.671 1.00 0.00 C ATOM 540 C TYR B 16 10.318 -6.374 -4.226 1.00 0.00 C ATOM 541 O TYR B 16 10.438 -7.543 -3.926 1.00 0.00 O ATOM 542 CB TYR B 16 9.078 -5.423 -6.146 1.00 0.00 C ATOM 543 CG TYR B 16 8.061 -6.195 -6.947 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.979 -7.587 -6.821 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.200 -5.517 -7.816 1.00 0.00 C ATOM 546 CE1 TYR B 16 7.032 -8.303 -7.567 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.253 -6.230 -8.563 1.00 0.00 C ATOM 548 CZ TYR B 16 6.168 -7.623 -8.438 1.00 0.00 C ATOM 549 OH TYR B 16 5.236 -8.326 -9.172 1.00 0.00 O ATOM 0 H TYR B 16 8.290 -3.796 -4.457 1.00 0.00 H new ATOM 0 HA TYR B 16 8.193 -6.541 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.915 -4.353 -6.270 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.082 -5.637 -6.514 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.645 -8.109 -6.150 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.265 -4.443 -7.911 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.968 -9.377 -7.471 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.589 -5.706 -9.235 1.00 0.00 H new ATOM 0 HH TYR B 16 4.717 -7.704 -9.724 1.00 0.00 H new ATOM 559 N LEU B 17 11.337 -5.566 -4.220 1.00 0.00 N ATOM 560 CA LEU B 17 12.686 -6.062 -3.836 1.00 0.00 C ATOM 561 C LEU B 17 12.796 -6.209 -2.316 1.00 0.00 C ATOM 562 O LEU B 17 13.111 -7.268 -1.811 1.00 0.00 O ATOM 563 CB LEU B 17 13.733 -5.067 -4.335 1.00 0.00 C ATOM 564 CG LEU B 17 15.005 -5.808 -4.748 1.00 0.00 C ATOM 565 CD1 LEU B 17 14.659 -6.915 -5.747 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.971 -4.821 -5.405 1.00 0.00 C ATOM 0 H LEU B 17 11.294 -4.577 -4.466 1.00 0.00 H new ATOM 0 HA LEU B 17 12.851 -7.041 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.338 -4.506 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.962 -4.344 -3.552 1.00 0.00 H new ATOM 0 HG LEU B 17 15.468 -6.250 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU B 17 15.569 -7.440 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.966 -7.618 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.195 -6.476 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.880 -5.344 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.501 -4.383 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU B 17 16.222 -4.031 -4.697 1.00 0.00 H new ATOM 578 N VAL B 18 12.555 -5.158 -1.580 1.00 0.00 N ATOM 579 CA VAL B 18 12.665 -5.258 -0.094 1.00 0.00 C ATOM 580 C VAL B 18 11.791 -6.407 0.411 1.00 0.00 C ATOM 581 O VAL B 18 12.133 -7.095 1.354 1.00 0.00 O ATOM 582 CB VAL B 18 12.209 -3.953 0.556 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.391 -2.986 0.644 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.099 -3.320 -0.278 1.00 0.00 C ATOM 0 H VAL B 18 12.289 -4.241 -1.938 1.00 0.00 H new ATOM 0 HA VAL B 18 13.706 -5.445 0.170 1.00 0.00 H new ATOM 0 HB VAL B 18 11.833 -4.164 1.557 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.066 -2.055 1.108 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.183 -3.433 1.245 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.768 -2.780 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.778 -2.390 0.190 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.471 -3.112 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.254 -4.006 -0.340 1.00 0.00 H new ATOM 594 N CYS B 19 10.672 -6.626 -0.217 1.00 0.00 N ATOM 595 CA CYS B 19 9.776 -7.735 0.210 1.00 0.00 C ATOM 596 C CYS B 19 10.115 -8.966 -0.624 1.00 0.00 C ATOM 597 O CYS B 19 10.456 -10.012 -0.109 1.00 0.00 O ATOM 598 CB CYS B 19 8.323 -7.332 -0.039 1.00 0.00 C ATOM 599 SG CYS B 19 8.065 -5.619 0.496 1.00 0.00 S ATOM 0 H CYS B 19 10.337 -6.082 -1.012 1.00 0.00 H new ATOM 0 HA CYS B 19 9.910 -7.950 1.270 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.084 -7.433 -1.098 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.652 -7.998 0.504 1.00 0.00 H new ATOM 604 N GLY B 20 10.045 -8.831 -1.919 1.00 0.00 N ATOM 605 CA GLY B 20 10.381 -9.965 -2.818 1.00 0.00 C ATOM 606 C GLY B 20 9.413 -11.128 -2.597 1.00 0.00 C ATOM 607 O GLY B 20 8.218 -10.946 -2.482 1.00 0.00 O ATOM 0 H GLY B 20 9.766 -7.973 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY B 20 10.336 -9.639 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.403 -10.294 -2.631 1.00 0.00 H new ATOM 611 N GLU B 21 9.927 -12.328 -2.549 1.00 0.00 N ATOM 612 CA GLU B 21 9.048 -13.516 -2.348 1.00 0.00 C ATOM 613 C GLU B 21 8.126 -13.287 -1.151 1.00 0.00 C ATOM 614 O GLU B 21 7.093 -13.913 -1.022 1.00 0.00 O ATOM 615 CB GLU B 21 9.914 -14.752 -2.095 1.00 0.00 C ATOM 616 CG GLU B 21 10.981 -14.859 -3.185 1.00 0.00 C ATOM 617 CD GLU B 21 10.807 -16.176 -3.945 1.00 0.00 C ATOM 618 OE1 GLU B 21 11.191 -17.202 -3.407 1.00 0.00 O ATOM 619 OE2 GLU B 21 10.292 -16.136 -5.051 1.00 0.00 O ATOM 0 H GLU B 21 10.921 -12.537 -2.641 1.00 0.00 H new ATOM 0 HA GLU B 21 8.442 -13.668 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU B 21 10.386 -14.684 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.294 -15.648 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.899 -14.017 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.975 -14.812 -2.741 1.00 0.00 H new ATOM 626 N ARG B 22 8.487 -12.395 -0.274 1.00 0.00 N ATOM 627 CA ARG B 22 7.627 -12.128 0.913 1.00 0.00 C ATOM 628 C ARG B 22 6.228 -11.719 0.446 1.00 0.00 C ATOM 629 O ARG B 22 5.276 -11.749 1.200 1.00 0.00 O ATOM 630 CB ARG B 22 8.241 -11.002 1.746 1.00 0.00 C ATOM 631 CG ARG B 22 9.246 -11.591 2.737 1.00 0.00 C ATOM 632 CD ARG B 22 10.644 -11.045 2.440 1.00 0.00 C ATOM 633 NE ARG B 22 11.500 -11.191 3.650 1.00 0.00 N ATOM 634 CZ ARG B 22 12.404 -12.130 3.700 1.00 0.00 C ATOM 635 NH1 ARG B 22 13.311 -12.213 2.766 1.00 0.00 N ATOM 636 NH2 ARG B 22 12.401 -12.988 4.684 1.00 0.00 N ATOM 0 H ARG B 22 9.340 -11.838 -0.327 1.00 0.00 H new ATOM 0 HA ARG B 22 7.556 -13.029 1.522 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.736 -10.282 1.095 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.459 -10.463 2.281 1.00 0.00 H new ATOM 0 HG2 ARG B 22 8.956 -11.339 3.757 1.00 0.00 H new ATOM 0 HG3 ARG B 22 9.247 -12.679 2.665 1.00 0.00 H new ATOM 0 HD2 ARG B 22 11.086 -11.583 1.601 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.583 -9.996 2.149 1.00 0.00 H new ATOM 0 HE ARG B 22 11.379 -10.557 4.440 1.00 0.00 H new ATOM 0 HH11 ARG B 22 13.313 -11.544 1.996 1.00 0.00 H new ATOM 0 HH12 ARG B 22 14.018 -12.947 2.805 1.00 0.00 H new ATOM 0 HH21 ARG B 22 11.692 -12.924 5.414 1.00 0.00 H new ATOM 0 HH22 ARG B 22 13.108 -13.722 4.723 1.00 0.00 H new ATOM 650 N GLY B 23 6.097 -11.342 -0.797 1.00 0.00 N ATOM 651 CA GLY B 23 4.760 -10.936 -1.317 1.00 0.00 C ATOM 652 C GLY B 23 4.277 -9.686 -0.579 1.00 0.00 C ATOM 653 O GLY B 23 3.696 -9.767 0.484 1.00 0.00 O ATOM 0 H GLY B 23 6.858 -11.298 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.820 -10.738 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.045 -11.748 -1.183 1.00 0.00 H new ATOM 657 N PHE B 24 4.513 -8.529 -1.135 1.00 0.00 N ATOM 658 CA PHE B 24 4.067 -7.275 -0.464 1.00 0.00 C ATOM 659 C PHE B 24 2.617 -6.977 -0.854 1.00 0.00 C ATOM 660 O PHE B 24 2.155 -7.367 -1.908 1.00 0.00 O ATOM 661 CB PHE B 24 4.967 -6.118 -0.900 1.00 0.00 C ATOM 662 CG PHE B 24 4.845 -5.916 -2.389 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.739 -5.237 -2.914 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.835 -6.412 -3.248 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.621 -5.053 -4.297 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.718 -6.227 -4.631 1.00 0.00 C ATOM 667 CZ PHE B 24 4.610 -5.548 -5.157 1.00 0.00 C ATOM 0 H PHE B 24 4.995 -8.398 -2.024 1.00 0.00 H new ATOM 0 HA PHE B 24 4.132 -7.395 0.617 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.684 -5.206 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.003 -6.330 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE B 24 2.976 -4.855 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.688 -6.937 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.767 -4.529 -4.701 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.482 -6.608 -5.293 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.519 -5.407 -6.224 1.00 0.00 H new ATOM 677 N PHE B 25 1.893 -6.289 -0.011 1.00 0.00 N ATOM 678 CA PHE B 25 0.474 -5.971 -0.336 1.00 0.00 C ATOM 679 C PHE B 25 0.303 -4.457 -0.486 1.00 0.00 C ATOM 680 O PHE B 25 -0.212 -3.791 0.387 1.00 0.00 O ATOM 681 CB PHE B 25 -0.438 -6.485 0.784 1.00 0.00 C ATOM 682 CG PHE B 25 0.009 -5.920 2.114 1.00 0.00 C ATOM 683 CD1 PHE B 25 1.099 -6.489 2.787 1.00 0.00 C ATOM 684 CD2 PHE B 25 -0.669 -4.829 2.676 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.511 -5.966 4.021 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.258 -4.308 3.910 1.00 0.00 C ATOM 687 CZ PHE B 25 0.832 -4.876 4.582 1.00 0.00 C ATOM 0 H PHE B 25 2.223 -5.935 0.887 1.00 0.00 H new ATOM 0 HA PHE B 25 0.203 -6.456 -1.274 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.470 -6.196 0.585 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.412 -7.574 0.815 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.621 -7.330 2.355 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.509 -4.390 2.157 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.352 -6.403 4.539 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -0.782 -3.469 4.343 1.00 0.00 H new ATOM 0 HZ PHE B 25 1.149 -4.474 5.533 1.00 0.00 H new ATOM 697 N TYR B 26 0.730 -3.909 -1.591 1.00 0.00 N ATOM 698 CA TYR B 26 0.586 -2.441 -1.796 1.00 0.00 C ATOM 699 C TYR B 26 -0.899 -2.069 -1.736 1.00 0.00 C ATOM 700 O TYR B 26 -1.695 -2.523 -2.534 1.00 0.00 O ATOM 701 CB TYR B 26 1.170 -2.058 -3.165 1.00 0.00 C ATOM 702 CG TYR B 26 0.582 -0.748 -3.641 1.00 0.00 C ATOM 703 CD1 TYR B 26 0.699 0.403 -2.849 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.083 -0.685 -4.874 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.152 1.615 -3.290 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.630 0.527 -5.314 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.513 1.678 -4.522 1.00 0.00 C ATOM 708 OH TYR B 26 -1.051 2.872 -4.957 1.00 0.00 O ATOM 0 H TYR B 26 1.172 -4.414 -2.359 1.00 0.00 H new ATOM 0 HA TYR B 26 1.124 -1.902 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.254 -1.973 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.959 -2.844 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.211 0.355 -1.899 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.173 -1.571 -5.485 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.243 2.502 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.142 0.575 -6.264 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.476 2.741 -5.830 1.00 0.00 H new ATOM 718 N THR B 27 -1.275 -1.239 -0.802 1.00 0.00 N ATOM 719 CA THR B 27 -2.705 -0.836 -0.702 1.00 0.00 C ATOM 720 C THR B 27 -2.982 0.273 -1.715 1.00 0.00 C ATOM 721 O THR B 27 -2.135 0.626 -2.512 1.00 0.00 O ATOM 722 CB THR B 27 -2.999 -0.323 0.710 1.00 0.00 C ATOM 723 OG1 THR B 27 -4.217 0.410 0.700 1.00 0.00 O ATOM 724 CG2 THR B 27 -1.859 0.582 1.177 1.00 0.00 C ATOM 0 H THR B 27 -0.656 -0.824 -0.106 1.00 0.00 H new ATOM 0 HA THR B 27 -3.343 -1.695 -0.911 1.00 0.00 H new ATOM 0 HB THR B 27 -3.088 -1.168 1.393 1.00 0.00 H new ATOM 0 HG1 THR B 27 -4.409 0.738 1.603 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.072 0.945 2.182 1.00 0.00 H new ATOM 0 HG22 THR B 27 -0.926 0.018 1.185 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.765 1.429 0.497 1.00 0.00 H new ATOM 732 N LYS B 28 -4.159 0.830 -1.692 1.00 0.00 N ATOM 733 CA LYS B 28 -4.480 1.918 -2.657 1.00 0.00 C ATOM 734 C LYS B 28 -5.701 2.701 -2.154 1.00 0.00 C ATOM 735 O LYS B 28 -6.679 2.111 -1.740 1.00 0.00 O ATOM 736 CB LYS B 28 -4.788 1.308 -4.026 1.00 0.00 C ATOM 737 CG LYS B 28 -5.073 2.424 -5.032 1.00 0.00 C ATOM 738 CD LYS B 28 -5.483 1.811 -6.373 1.00 0.00 C ATOM 739 CE LYS B 28 -6.989 1.545 -6.373 1.00 0.00 C ATOM 740 NZ LYS B 28 -7.719 2.816 -6.641 1.00 0.00 N ATOM 0 H LYS B 28 -4.911 0.581 -1.049 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.629 2.593 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -3.945 0.706 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.648 0.642 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.867 3.071 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.188 3.047 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -5.222 2.486 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.939 0.882 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.238 0.803 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.296 1.133 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.714 2.606 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.670 3.428 -5.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.283 3.303 -7.450 1.00 0.00 H new ATOM 754 N PRO B 29 -5.605 4.008 -2.202 1.00 0.00 N ATOM 755 CA PRO B 29 -6.690 4.897 -1.754 1.00 0.00 C ATOM 756 C PRO B 29 -7.784 4.989 -2.822 1.00 0.00 C ATOM 757 O PRO B 29 -7.513 5.222 -3.982 1.00 0.00 O ATOM 758 CB PRO B 29 -5.992 6.249 -1.571 1.00 0.00 C ATOM 759 CG PRO B 29 -4.722 6.205 -2.453 1.00 0.00 C ATOM 760 CD PRO B 29 -4.412 4.719 -2.708 1.00 0.00 C ATOM 0 HA PRO B 29 -7.182 4.549 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -6.646 7.068 -1.871 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -5.733 6.415 -0.525 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -4.885 6.733 -3.393 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -3.886 6.694 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.251 4.522 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.509 4.405 -2.184 1.00 0.00 H new ATOM 768 N THR B 30 -9.017 4.807 -2.436 1.00 0.00 N ATOM 769 CA THR B 30 -10.126 4.883 -3.429 1.00 0.00 C ATOM 770 C THR B 30 -11.266 5.725 -2.854 1.00 0.00 C ATOM 771 O THR B 30 -11.027 6.882 -2.549 1.00 0.00 O ATOM 772 CB THR B 30 -10.634 3.472 -3.732 1.00 0.00 C ATOM 773 OG1 THR B 30 -11.832 3.557 -4.492 1.00 0.00 O ATOM 774 CG2 THR B 30 -10.909 2.733 -2.422 1.00 0.00 C ATOM 775 OXT THR B 30 -12.359 5.198 -2.726 1.00 0.00 O ATOM 0 H THR B 30 -9.304 4.609 -1.478 1.00 0.00 H new ATOM 0 HA THR B 30 -9.763 5.343 -4.348 1.00 0.00 H new ATOM 0 HB THR B 30 -9.880 2.927 -4.300 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.544 3.940 -3.938 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.271 1.728 -2.640 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.989 2.669 -1.840 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.663 3.274 -1.850 1.00 0.00 H new TER 783 THR B 30