USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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+ 141:sc= 0.0521 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -41:sc= -1.66! USER MOD Single : A 9 SER OG : rot 179:sc= -0.0406 USER MOD Single : A 12 SER OG : rot -130:sc= -3.95! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.7!) USER MOD Single : A 18 ASN : amide:sc= -2.05! C(o=-2!,f=-3.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.34! C(o=-1.3!,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.03! C(o=-2!,f=-6.1!) USER MOD Single : B 4 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.094) USER MOD Single : B 5 HIS : no HD1:sc= -17.2! C(o=-17!,f=-19!) USER MOD Single : B 9 SER OG : rot -73:sc= 0.545 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 16 TYR OH : rot 110:sc= -0.657 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= -1.72! USER MOD Single : B 29 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.199) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.0328 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.781 12.652 0.072 1.00 0.00 N ATOM 2 CA GLY A 1 -2.502 11.247 0.484 1.00 0.00 C ATOM 3 C GLY A 1 -3.649 10.343 0.029 1.00 0.00 C ATOM 4 O GLY A 1 -4.778 10.773 -0.099 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.480 13.301 0.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.258 12.868 -0.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.800 12.768 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.563 10.908 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.388 11.190 1.567 1.00 0.00 H new ATOM 10 N ILE A 2 -3.370 9.092 -0.217 1.00 0.00 N ATOM 11 CA ILE A 2 -4.451 8.165 -0.666 1.00 0.00 C ATOM 12 C ILE A 2 -5.370 7.840 0.513 1.00 0.00 C ATOM 13 O ILE A 2 -6.543 7.586 0.338 1.00 0.00 O ATOM 14 CB ILE A 2 -3.857 6.868 -1.237 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.539 6.519 -0.535 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.594 7.048 -2.733 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.131 5.091 -0.900 1.00 0.00 C ATOM 0 H ILE A 2 -2.445 8.672 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.024 8.655 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.568 6.058 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.759 7.219 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.654 6.611 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.172 6.130 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.531 7.275 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.891 7.868 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.194 4.842 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.908 4.397 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.999 5.015 -1.979 1.00 0.00 H new ATOM 29 N VAL A 3 -4.855 7.844 1.710 1.00 0.00 N ATOM 30 CA VAL A 3 -5.705 7.538 2.885 1.00 0.00 C ATOM 31 C VAL A 3 -6.739 8.647 3.072 1.00 0.00 C ATOM 32 O VAL A 3 -7.914 8.393 3.243 1.00 0.00 O ATOM 33 CB VAL A 3 -4.823 7.450 4.130 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.487 6.537 5.146 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.449 6.877 3.766 1.00 0.00 C ATOM 0 H VAL A 3 -3.878 8.047 1.922 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.219 6.589 2.729 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.695 8.449 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.863 6.470 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.463 6.942 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.613 5.544 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.830 6.819 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.571 5.879 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.967 7.524 3.033 1.00 0.00 H new ATOM 45 N GLU A 4 -6.309 9.875 3.042 1.00 0.00 N ATOM 46 CA GLU A 4 -7.266 11.002 3.218 1.00 0.00 C ATOM 47 C GLU A 4 -8.363 10.911 2.159 1.00 0.00 C ATOM 48 O GLU A 4 -9.535 11.048 2.449 1.00 0.00 O ATOM 49 CB GLU A 4 -6.522 12.331 3.069 1.00 0.00 C ATOM 50 CG GLU A 4 -6.713 13.169 4.335 1.00 0.00 C ATOM 51 CD GLU A 4 -5.347 13.579 4.887 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.624 14.260 4.179 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.047 13.206 6.009 1.00 0.00 O ATOM 0 H GLU A 4 -5.336 10.148 2.903 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.714 10.945 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.461 12.149 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.896 12.874 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.307 14.055 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.262 12.597 5.083 1.00 0.00 H new ATOM 60 N GLN A 5 -7.991 10.682 0.932 1.00 0.00 N ATOM 61 CA GLN A 5 -9.009 10.583 -0.151 1.00 0.00 C ATOM 62 C GLN A 5 -9.625 9.182 -0.157 1.00 0.00 C ATOM 63 O GLN A 5 -10.766 8.998 -0.531 1.00 0.00 O ATOM 64 CB GLN A 5 -8.341 10.851 -1.502 1.00 0.00 C ATOM 65 CG GLN A 5 -9.302 11.627 -2.404 1.00 0.00 C ATOM 66 CD GLN A 5 -8.537 12.185 -3.605 1.00 0.00 C ATOM 67 OE1 GLN A 5 -8.414 13.384 -3.758 1.00 0.00 O ATOM 68 NE2 GLN A 5 -8.012 11.360 -4.469 1.00 0.00 N ATOM 0 H GLN A 5 -7.024 10.559 0.631 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.793 11.320 0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.422 11.419 -1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.063 9.909 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.106 10.974 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.766 12.440 -1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.115 10.353 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.498 11.722 -5.273 1.00 0.00 H new ATOM 77 N CYS A 6 -8.876 8.192 0.243 1.00 0.00 N ATOM 78 CA CYS A 6 -9.418 6.803 0.246 1.00 0.00 C ATOM 79 C CYS A 6 -9.871 6.413 1.656 1.00 0.00 C ATOM 80 O CYS A 6 -10.048 5.249 1.951 1.00 0.00 O ATOM 81 CB CYS A 6 -8.333 5.833 -0.224 1.00 0.00 C ATOM 82 SG CYS A 6 -9.096 4.264 -0.706 1.00 0.00 S ATOM 0 H CYS A 6 -7.913 8.284 0.568 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.274 6.756 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -7.789 6.259 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.608 5.668 0.573 1.00 0.00 H new ATOM 87 N CYS A 7 -10.055 7.370 2.528 1.00 0.00 N ATOM 88 CA CYS A 7 -10.497 7.043 3.919 1.00 0.00 C ATOM 89 C CYS A 7 -9.341 6.363 4.657 1.00 0.00 C ATOM 90 O CYS A 7 -8.604 6.989 5.392 1.00 0.00 O ATOM 91 CB CYS A 7 -11.722 6.109 3.859 1.00 0.00 C ATOM 92 SG CYS A 7 -12.406 5.857 5.518 1.00 0.00 S ATOM 0 H CYS A 7 -9.919 8.363 2.339 1.00 0.00 H new ATOM 0 HA CYS A 7 -10.777 7.952 4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -12.483 6.538 3.206 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -11.435 5.150 3.427 1.00 0.00 H new ATOM 97 N THR A 8 -9.170 5.092 4.444 1.00 0.00 N ATOM 98 CA THR A 8 -8.062 4.345 5.099 1.00 0.00 C ATOM 99 C THR A 8 -8.023 2.955 4.477 1.00 0.00 C ATOM 100 O THR A 8 -7.720 1.972 5.125 1.00 0.00 O ATOM 101 CB THR A 8 -8.316 4.228 6.606 1.00 0.00 C ATOM 102 OG1 THR A 8 -8.867 5.442 7.093 1.00 0.00 O ATOM 103 CG2 THR A 8 -6.997 3.942 7.325 1.00 0.00 C ATOM 0 H THR A 8 -9.761 4.528 3.833 1.00 0.00 H new ATOM 0 HA THR A 8 -7.115 4.866 4.955 1.00 0.00 H new ATOM 0 HB THR A 8 -9.016 3.413 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.408 6.200 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.177 3.859 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.576 3.008 6.954 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.296 4.756 7.137 1.00 0.00 H new ATOM 111 N SER A 9 -8.357 2.872 3.218 1.00 0.00 N ATOM 112 CA SER A 9 -8.377 1.557 2.527 1.00 0.00 C ATOM 113 C SER A 9 -7.511 1.619 1.267 1.00 0.00 C ATOM 114 O SER A 9 -6.672 2.483 1.119 1.00 0.00 O ATOM 115 CB SER A 9 -9.816 1.239 2.135 1.00 0.00 C ATOM 116 OG SER A 9 -10.670 2.270 2.612 1.00 0.00 O ATOM 0 H SER A 9 -8.619 3.668 2.636 1.00 0.00 H new ATOM 0 HA SER A 9 -7.985 0.785 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.900 1.153 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.116 0.279 2.555 1.00 0.00 H new ATOM 0 HG SER A 9 -11.594 2.076 2.350 1.00 0.00 H new ATOM 122 N ILE A 10 -7.709 0.709 0.354 1.00 0.00 N ATOM 123 CA ILE A 10 -6.892 0.722 -0.890 1.00 0.00 C ATOM 124 C ILE A 10 -7.763 1.175 -2.067 1.00 0.00 C ATOM 125 O ILE A 10 -8.680 0.498 -2.481 1.00 0.00 O ATOM 126 CB ILE A 10 -6.288 -0.687 -1.140 1.00 0.00 C ATOM 127 CG1 ILE A 10 -7.093 -1.492 -2.173 1.00 0.00 C ATOM 128 CG2 ILE A 10 -6.284 -1.478 0.167 1.00 0.00 C ATOM 129 CD1 ILE A 10 -6.801 -0.990 -3.583 1.00 0.00 C ATOM 0 H ILE A 10 -8.399 -0.040 0.415 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.066 1.425 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.278 -0.538 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.840 -2.549 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.159 -1.404 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.860 -2.467 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.683 -0.952 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.305 -1.580 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.379 -1.570 -4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.077 0.062 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.738 -1.102 -3.796 1.00 0.00 H new ATOM 141 N CYS A 11 -7.469 2.315 -2.620 1.00 0.00 N ATOM 142 CA CYS A 11 -8.261 2.799 -3.780 1.00 0.00 C ATOM 143 C CYS A 11 -7.456 2.487 -5.032 1.00 0.00 C ATOM 144 O CYS A 11 -6.322 2.896 -5.155 1.00 0.00 O ATOM 145 CB CYS A 11 -8.485 4.308 -3.667 1.00 0.00 C ATOM 146 SG CYS A 11 -9.863 4.629 -2.538 1.00 0.00 S ATOM 0 H CYS A 11 -6.715 2.932 -2.319 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.237 2.314 -3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.581 4.795 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.699 4.729 -4.649 1.00 0.00 H new ATOM 151 N SER A 12 -8.007 1.742 -5.948 1.00 0.00 N ATOM 152 CA SER A 12 -7.231 1.389 -7.160 1.00 0.00 C ATOM 153 C SER A 12 -5.923 0.746 -6.700 1.00 0.00 C ATOM 154 O SER A 12 -4.991 1.421 -6.311 1.00 0.00 O ATOM 155 CB SER A 12 -6.949 2.650 -7.982 1.00 0.00 C ATOM 156 OG SER A 12 -7.299 3.799 -7.222 1.00 0.00 O ATOM 0 H SER A 12 -8.954 1.366 -5.908 1.00 0.00 H new ATOM 0 HA SER A 12 -7.789 0.696 -7.789 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.895 2.690 -8.257 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.520 2.627 -8.910 1.00 0.00 H new ATOM 0 HG SER A 12 -7.867 4.388 -7.762 1.00 0.00 H new ATOM 162 N LEU A 13 -5.843 -0.558 -6.724 1.00 0.00 N ATOM 163 CA LEU A 13 -4.594 -1.220 -6.262 1.00 0.00 C ATOM 164 C LEU A 13 -3.432 -0.576 -6.998 1.00 0.00 C ATOM 165 O LEU A 13 -2.342 -0.444 -6.479 1.00 0.00 O ATOM 166 CB LEU A 13 -4.649 -2.717 -6.581 1.00 0.00 C ATOM 167 CG LEU A 13 -4.573 -2.929 -8.095 1.00 0.00 C ATOM 168 CD1 LEU A 13 -4.271 -4.399 -8.390 1.00 0.00 C ATOM 169 CD2 LEU A 13 -5.912 -2.549 -8.731 1.00 0.00 C ATOM 0 H LEU A 13 -6.582 -1.186 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.475 -1.104 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.823 -3.233 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.571 -3.148 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.782 -2.304 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.217 -4.550 -9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.318 -4.673 -7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.062 -5.023 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.858 -2.700 -9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.702 -3.174 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.130 -1.502 -8.521 1.00 0.00 H new ATOM 181 N TYR A 14 -3.676 -0.139 -8.194 1.00 0.00 N ATOM 182 CA TYR A 14 -2.606 0.544 -8.966 1.00 0.00 C ATOM 183 C TYR A 14 -2.330 1.885 -8.295 1.00 0.00 C ATOM 184 O TYR A 14 -1.206 2.342 -8.232 1.00 0.00 O ATOM 185 CB TYR A 14 -3.064 0.766 -10.409 1.00 0.00 C ATOM 186 CG TYR A 14 -3.099 -0.559 -11.134 1.00 0.00 C ATOM 187 CD1 TYR A 14 -1.922 -1.297 -11.300 1.00 0.00 C ATOM 188 CD2 TYR A 14 -4.310 -1.049 -11.638 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.955 -2.526 -11.971 1.00 0.00 C ATOM 190 CE2 TYR A 14 -4.343 -2.277 -12.309 1.00 0.00 C ATOM 191 CZ TYR A 14 -3.165 -3.015 -12.476 1.00 0.00 C ATOM 192 OH TYR A 14 -3.198 -4.226 -13.138 1.00 0.00 O ATOM 0 H TYR A 14 -4.572 -0.224 -8.674 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.702 -0.065 -8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.052 1.226 -10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.386 1.453 -10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.988 -0.919 -10.911 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.219 -0.479 -11.509 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.047 -3.096 -12.099 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.277 -2.655 -12.698 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.116 -4.418 -13.423 1.00 0.00 H new ATOM 202 N GLN A 15 -3.351 2.508 -7.770 1.00 0.00 N ATOM 203 CA GLN A 15 -3.144 3.806 -7.078 1.00 0.00 C ATOM 204 C GLN A 15 -2.409 3.535 -5.767 1.00 0.00 C ATOM 205 O GLN A 15 -1.483 4.233 -5.403 1.00 0.00 O ATOM 206 CB GLN A 15 -4.497 4.457 -6.797 1.00 0.00 C ATOM 207 CG GLN A 15 -4.834 5.430 -7.926 1.00 0.00 C ATOM 208 CD GLN A 15 -4.383 6.839 -7.539 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.449 7.215 -6.385 1.00 0.00 O ATOM 210 NE2 GLN A 15 -3.924 7.641 -8.460 1.00 0.00 N ATOM 0 H GLN A 15 -4.314 2.173 -7.792 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.557 4.481 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.271 3.694 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.469 4.984 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.341 5.119 -8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.907 5.421 -8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.868 7.326 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.621 8.583 -8.211 1.00 0.00 H new ATOM 219 N LEU A 16 -2.806 2.508 -5.064 1.00 0.00 N ATOM 220 CA LEU A 16 -2.122 2.169 -3.787 1.00 0.00 C ATOM 221 C LEU A 16 -0.725 1.641 -4.113 1.00 0.00 C ATOM 222 O LEU A 16 0.247 1.985 -3.470 1.00 0.00 O ATOM 223 CB LEU A 16 -2.919 1.093 -3.045 1.00 0.00 C ATOM 224 CG LEU A 16 -2.463 1.034 -1.587 1.00 0.00 C ATOM 225 CD1 LEU A 16 -3.266 2.038 -0.758 1.00 0.00 C ATOM 226 CD2 LEU A 16 -2.693 -0.376 -1.038 1.00 0.00 C ATOM 0 H LEU A 16 -3.576 1.890 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.050 3.054 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.985 1.316 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.773 0.124 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.403 1.281 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.940 1.995 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.105 3.043 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.326 1.792 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.368 -0.419 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.753 -0.621 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.121 -1.093 -1.627 1.00 0.00 H new ATOM 238 N GLU A 17 -0.617 0.816 -5.122 1.00 0.00 N ATOM 239 CA GLU A 17 0.716 0.279 -5.504 1.00 0.00 C ATOM 240 C GLU A 17 1.604 1.446 -5.927 1.00 0.00 C ATOM 241 O GLU A 17 2.768 1.514 -5.584 1.00 0.00 O ATOM 242 CB GLU A 17 0.565 -0.694 -6.676 1.00 0.00 C ATOM 243 CG GLU A 17 0.593 -2.133 -6.158 1.00 0.00 C ATOM 244 CD GLU A 17 1.410 -3.003 -7.113 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.511 -2.641 -8.274 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.923 -4.017 -6.668 1.00 0.00 O ATOM 0 H GLU A 17 -1.396 0.493 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 17 1.160 -0.248 -4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.371 -0.504 -7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.370 -0.540 -7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.029 -2.163 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.422 -2.521 -6.075 1.00 0.00 H new ATOM 253 N ASN A 18 1.058 2.369 -6.671 1.00 0.00 N ATOM 254 CA ASN A 18 1.865 3.538 -7.117 1.00 0.00 C ATOM 255 C ASN A 18 2.472 4.234 -5.895 1.00 0.00 C ATOM 256 O ASN A 18 3.451 4.945 -5.999 1.00 0.00 O ATOM 257 CB ASN A 18 0.967 4.520 -7.873 1.00 0.00 C ATOM 258 CG ASN A 18 0.648 3.957 -9.259 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.199 2.951 -9.660 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.225 4.567 -10.012 1.00 0.00 N ATOM 0 H ASN A 18 0.089 2.363 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 18 2.665 3.199 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.045 4.689 -7.316 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.464 5.486 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.445 4.200 -10.938 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.687 5.411 -9.675 1.00 0.00 H new ATOM 267 N TYR A 19 1.903 4.032 -4.735 1.00 0.00 N ATOM 268 CA TYR A 19 2.458 4.680 -3.513 1.00 0.00 C ATOM 269 C TYR A 19 3.903 4.223 -3.311 1.00 0.00 C ATOM 270 O TYR A 19 4.648 4.807 -2.550 1.00 0.00 O ATOM 271 CB TYR A 19 1.624 4.281 -2.293 1.00 0.00 C ATOM 272 CG TYR A 19 2.001 5.153 -1.119 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.168 6.531 -1.298 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.184 4.585 0.148 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.516 7.342 -0.212 1.00 0.00 C ATOM 276 CE2 TYR A 19 2.532 5.397 1.235 1.00 0.00 C ATOM 277 CZ TYR A 19 2.698 6.775 1.055 1.00 0.00 C ATOM 278 OH TYR A 19 3.042 7.575 2.126 1.00 0.00 O ATOM 0 H TYR A 19 1.081 3.448 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 19 2.428 5.763 -3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.562 4.389 -2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.794 3.232 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.028 6.969 -2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.057 3.522 0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.644 8.405 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.672 4.960 2.212 1.00 0.00 H new ATOM 0 HH TYR A 19 3.128 7.024 2.932 1.00 0.00 H new ATOM 288 N CYS A 20 4.296 3.176 -3.989 1.00 0.00 N ATOM 289 CA CYS A 20 5.691 2.658 -3.855 1.00 0.00 C ATOM 290 C CYS A 20 6.673 3.826 -3.730 1.00 0.00 C ATOM 291 O CYS A 20 6.377 4.944 -4.103 1.00 0.00 O ATOM 292 CB CYS A 20 6.045 1.836 -5.097 1.00 0.00 C ATOM 293 SG CYS A 20 6.646 0.204 -4.596 1.00 0.00 S ATOM 0 H CYS A 20 3.705 2.653 -4.635 1.00 0.00 H new ATOM 0 HA CYS A 20 5.757 2.035 -2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.169 1.731 -5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.807 2.352 -5.681 1.00 0.00 H new ATOM 298 N ASN A 21 7.843 3.572 -3.210 1.00 0.00 N ATOM 299 CA ASN A 21 8.845 4.664 -3.061 1.00 0.00 C ATOM 300 C ASN A 21 10.184 4.211 -3.647 1.00 0.00 C ATOM 301 O ASN A 21 10.178 3.279 -4.434 1.00 0.00 O ATOM 302 CB ASN A 21 9.023 4.993 -1.577 1.00 0.00 C ATOM 303 CG ASN A 21 10.019 6.145 -1.425 1.00 0.00 C ATOM 304 OD1 ASN A 21 9.869 7.178 -2.045 1.00 0.00 O ATOM 305 ND2 ASN A 21 11.037 6.009 -0.619 1.00 0.00 N ATOM 306 OXT ASN A 21 11.192 4.805 -3.299 1.00 0.00 O ATOM 0 H ASN A 21 8.148 2.655 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 21 8.498 5.551 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.064 5.267 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.381 4.115 -1.039 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.707 6.771 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.163 5.141 -0.098 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -1.440 -7.687 -4.992 1.00 0.00 N ATOM 315 CA PHE B 1 -2.650 -8.486 -4.647 1.00 0.00 C ATOM 316 C PHE B 1 -3.495 -7.718 -3.628 1.00 0.00 C ATOM 317 O PHE B 1 -3.317 -7.852 -2.433 1.00 0.00 O ATOM 318 CB PHE B 1 -2.221 -9.827 -4.047 1.00 0.00 C ATOM 319 CG PHE B 1 -1.993 -10.824 -5.157 1.00 0.00 C ATOM 320 CD1 PHE B 1 -3.028 -11.128 -6.049 1.00 0.00 C ATOM 321 CD2 PHE B 1 -0.746 -11.446 -5.294 1.00 0.00 C ATOM 322 CE1 PHE B 1 -2.816 -12.053 -7.078 1.00 0.00 C ATOM 323 CE2 PHE B 1 -0.534 -12.371 -6.323 1.00 0.00 C ATOM 324 CZ PHE B 1 -1.569 -12.675 -7.215 1.00 0.00 C ATOM 0 H1 PHE B 1 -0.865 -8.209 -5.684 1.00 0.00 H new ATOM 0 H2 PHE B 1 -1.731 -6.775 -5.400 1.00 0.00 H new ATOM 0 H3 PHE B 1 -0.879 -7.519 -4.133 1.00 0.00 H new ATOM 0 HA PHE B 1 -3.238 -8.662 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -1.309 -9.701 -3.463 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -2.988 -10.195 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -3.990 -10.649 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE B 1 0.053 -11.212 -4.606 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -3.615 -12.287 -7.766 1.00 0.00 H new ATOM 0 HE2 PHE B 1 0.428 -12.850 -6.429 1.00 0.00 H new ATOM 0 HZ PHE B 1 -1.406 -13.389 -8.009 1.00 0.00 H new ATOM 336 N VAL B 2 -4.413 -6.915 -4.090 1.00 0.00 N ATOM 337 CA VAL B 2 -5.268 -6.140 -3.147 1.00 0.00 C ATOM 338 C VAL B 2 -6.495 -6.972 -2.771 1.00 0.00 C ATOM 339 O VAL B 2 -6.806 -7.960 -3.406 1.00 0.00 O ATOM 340 CB VAL B 2 -5.719 -4.842 -3.818 1.00 0.00 C ATOM 341 CG1 VAL B 2 -4.541 -3.868 -3.888 1.00 0.00 C ATOM 342 CG2 VAL B 2 -6.212 -5.149 -5.233 1.00 0.00 C ATOM 0 H VAL B 2 -4.608 -6.762 -5.079 1.00 0.00 H new ATOM 0 HA VAL B 2 -4.698 -5.906 -2.248 1.00 0.00 H new ATOM 0 HB VAL B 2 -6.526 -4.393 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -4.862 -2.943 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -4.187 -3.652 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -3.733 -4.315 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -6.534 -4.226 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -5.403 -5.596 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -7.050 -5.844 -5.183 1.00 0.00 H new ATOM 352 N ASN B 3 -7.194 -6.583 -1.740 1.00 0.00 N ATOM 353 CA ASN B 3 -8.397 -7.354 -1.322 1.00 0.00 C ATOM 354 C ASN B 3 -9.588 -6.403 -1.163 1.00 0.00 C ATOM 355 O ASN B 3 -9.727 -5.439 -1.890 1.00 0.00 O ATOM 356 CB ASN B 3 -8.106 -8.048 0.010 1.00 0.00 C ATOM 357 CG ASN B 3 -8.099 -7.012 1.136 1.00 0.00 C ATOM 358 OD1 ASN B 3 -9.089 -6.831 1.817 1.00 0.00 O ATOM 359 ND2 ASN B 3 -7.016 -6.321 1.363 1.00 0.00 N ATOM 0 H ASN B 3 -6.983 -5.764 -1.169 1.00 0.00 H new ATOM 0 HA ASN B 3 -8.638 -8.101 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -8.860 -8.810 0.207 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -7.143 -8.557 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -7.000 -5.629 2.112 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -6.185 -6.473 0.791 1.00 0.00 H new ATOM 366 N GLN B 4 -10.447 -6.664 -0.214 1.00 0.00 N ATOM 367 CA GLN B 4 -11.624 -5.778 -0.003 1.00 0.00 C ATOM 368 C GLN B 4 -11.444 -5.022 1.312 1.00 0.00 C ATOM 369 O GLN B 4 -12.108 -5.291 2.293 1.00 0.00 O ATOM 370 CB GLN B 4 -12.898 -6.623 0.061 1.00 0.00 C ATOM 371 CG GLN B 4 -13.028 -7.449 -1.220 1.00 0.00 C ATOM 372 CD GLN B 4 -13.826 -6.660 -2.260 1.00 0.00 C ATOM 373 OE1 GLN B 4 -13.395 -6.507 -3.385 1.00 0.00 O ATOM 374 NE2 GLN B 4 -14.980 -6.149 -1.928 1.00 0.00 N ATOM 0 H GLN B 4 -10.382 -7.456 0.425 1.00 0.00 H new ATOM 0 HA GLN B 4 -11.706 -5.070 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -12.867 -7.281 0.929 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -13.769 -5.978 0.181 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -12.040 -7.690 -1.611 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -13.525 -8.395 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -15.342 -6.278 -0.983 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -15.520 -5.621 -2.613 1.00 0.00 H new ATOM 383 N HIS B 5 -10.542 -4.083 1.337 1.00 0.00 N ATOM 384 CA HIS B 5 -10.297 -3.299 2.587 1.00 0.00 C ATOM 385 C HIS B 5 -11.616 -2.795 3.184 1.00 0.00 C ATOM 386 O HIS B 5 -12.689 -3.077 2.690 1.00 0.00 O ATOM 387 CB HIS B 5 -9.457 -2.092 2.224 1.00 0.00 C ATOM 388 CG HIS B 5 -10.039 -1.505 0.975 1.00 0.00 C ATOM 389 ND1 HIS B 5 -9.465 -1.715 -0.260 1.00 0.00 N ATOM 390 CD2 HIS B 5 -11.163 -0.749 0.746 1.00 0.00 C ATOM 391 CE1 HIS B 5 -10.232 -1.099 -1.173 1.00 0.00 C ATOM 392 NE2 HIS B 5 -11.282 -0.493 -0.615 1.00 0.00 N ATOM 0 H HIS B 5 -9.958 -3.820 0.543 1.00 0.00 H new ATOM 0 HA HIS B 5 -9.798 -3.938 3.316 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -9.465 -1.361 3.032 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -8.418 -2.380 2.065 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -11.849 -0.406 1.507 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -10.024 -1.094 -2.233 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -12.013 0.042 -1.085 1.00 0.00 H new ATOM 400 N LEU B 6 -11.527 -2.025 4.241 1.00 0.00 N ATOM 401 CA LEU B 6 -12.753 -1.467 4.886 1.00 0.00 C ATOM 402 C LEU B 6 -12.398 -0.143 5.580 1.00 0.00 C ATOM 403 O LEU B 6 -13.109 0.323 6.448 1.00 0.00 O ATOM 404 CB LEU B 6 -13.291 -2.451 5.932 1.00 0.00 C ATOM 405 CG LEU B 6 -12.909 -3.885 5.556 1.00 0.00 C ATOM 406 CD1 LEU B 6 -11.431 -4.124 5.873 1.00 0.00 C ATOM 407 CD2 LEU B 6 -13.763 -4.865 6.364 1.00 0.00 C ATOM 0 H LEU B 6 -10.649 -1.758 4.687 1.00 0.00 H new ATOM 0 HA LEU B 6 -13.514 -1.300 4.124 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -12.887 -2.205 6.914 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -14.375 -2.362 6.001 1.00 0.00 H new ATOM 0 HG LEU B 6 -13.081 -4.037 4.490 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.162 -5.146 5.604 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -10.819 -3.425 5.302 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -11.258 -3.971 6.938 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -13.493 -5.887 6.098 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -13.588 -4.708 7.428 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -14.817 -4.698 6.141 1.00 0.00 H new ATOM 419 N CYS B 7 -11.292 0.454 5.216 1.00 0.00 N ATOM 420 CA CYS B 7 -10.871 1.733 5.860 1.00 0.00 C ATOM 421 C CYS B 7 -10.702 1.507 7.362 1.00 0.00 C ATOM 422 O CYS B 7 -11.641 1.598 8.128 1.00 0.00 O ATOM 423 CB CYS B 7 -11.907 2.837 5.621 1.00 0.00 C ATOM 424 SG CYS B 7 -11.274 4.387 6.324 1.00 0.00 S ATOM 0 H CYS B 7 -10.659 0.107 4.495 1.00 0.00 H new ATOM 0 HA CYS B 7 -9.926 2.050 5.419 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -12.095 2.955 4.554 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -12.857 2.571 6.085 1.00 0.00 H new ATOM 429 N GLY B 8 -9.506 1.210 7.782 1.00 0.00 N ATOM 430 CA GLY B 8 -9.252 0.970 9.229 1.00 0.00 C ATOM 431 C GLY B 8 -7.872 0.339 9.385 1.00 0.00 C ATOM 432 O GLY B 8 -7.731 -0.761 9.882 1.00 0.00 O ATOM 0 H GLY B 8 -8.687 1.122 7.181 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -9.304 1.908 9.782 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -10.017 0.313 9.643 1.00 0.00 H new ATOM 436 N SER B 9 -6.856 1.029 8.945 1.00 0.00 N ATOM 437 CA SER B 9 -5.470 0.489 9.040 1.00 0.00 C ATOM 438 C SER B 9 -5.222 -0.477 7.879 1.00 0.00 C ATOM 439 O SER B 9 -4.117 -0.935 7.668 1.00 0.00 O ATOM 440 CB SER B 9 -5.288 -0.248 10.369 1.00 0.00 C ATOM 441 OG SER B 9 -3.902 -0.347 10.665 1.00 0.00 O ATOM 0 H SER B 9 -6.928 1.953 8.519 1.00 0.00 H new ATOM 0 HA SER B 9 -4.758 1.313 8.989 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.805 0.285 11.167 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.731 -1.242 10.310 1.00 0.00 H new ATOM 0 HG SER B 9 -3.488 -1.011 10.075 1.00 0.00 H new ATOM 447 N HIS B 10 -6.240 -0.791 7.121 1.00 0.00 N ATOM 448 CA HIS B 10 -6.057 -1.723 5.978 1.00 0.00 C ATOM 449 C HIS B 10 -5.247 -1.032 4.879 1.00 0.00 C ATOM 450 O HIS B 10 -4.428 -1.642 4.220 1.00 0.00 O ATOM 451 CB HIS B 10 -7.425 -2.129 5.427 1.00 0.00 C ATOM 452 CG HIS B 10 -7.735 -3.540 5.846 1.00 0.00 C ATOM 453 ND1 HIS B 10 -7.722 -4.597 4.950 1.00 0.00 N ATOM 454 CD2 HIS B 10 -8.070 -4.083 7.062 1.00 0.00 C ATOM 455 CE1 HIS B 10 -8.040 -5.712 5.634 1.00 0.00 C ATOM 456 NE2 HIS B 10 -8.261 -5.454 6.926 1.00 0.00 N ATOM 0 H HIS B 10 -7.189 -0.440 7.247 1.00 0.00 H new ATOM 0 HA HIS B 10 -5.524 -2.612 6.316 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -8.194 -1.451 5.797 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -7.429 -2.052 4.340 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -8.170 -3.530 7.984 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -8.108 -6.695 5.192 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -8.515 -6.120 7.656 1.00 0.00 H new ATOM 464 N LEU B 11 -5.478 0.236 4.669 1.00 0.00 N ATOM 465 CA LEU B 11 -4.730 0.966 3.606 1.00 0.00 C ATOM 466 C LEU B 11 -3.232 0.939 3.904 1.00 0.00 C ATOM 467 O LEU B 11 -2.425 0.683 3.033 1.00 0.00 O ATOM 468 CB LEU B 11 -5.206 2.419 3.552 1.00 0.00 C ATOM 469 CG LEU B 11 -4.261 3.236 2.667 1.00 0.00 C ATOM 470 CD1 LEU B 11 -5.059 4.302 1.914 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.205 3.914 3.541 1.00 0.00 C ATOM 0 H LEU B 11 -6.153 0.798 5.188 1.00 0.00 H new ATOM 0 HA LEU B 11 -4.914 0.480 2.648 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -6.221 2.465 3.158 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -5.235 2.840 4.557 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.772 2.575 1.951 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -4.386 4.883 1.284 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -5.813 3.820 1.291 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -5.548 4.963 2.629 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.531 4.496 2.912 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.695 4.574 4.257 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.635 3.155 4.078 1.00 0.00 H new ATOM 483 N VAL B 12 -2.844 1.212 5.120 1.00 0.00 N ATOM 484 CA VAL B 12 -1.391 1.209 5.437 1.00 0.00 C ATOM 485 C VAL B 12 -0.834 -0.194 5.250 1.00 0.00 C ATOM 486 O VAL B 12 0.144 -0.392 4.557 1.00 0.00 O ATOM 487 CB VAL B 12 -1.171 1.669 6.879 1.00 0.00 C ATOM 488 CG1 VAL B 12 0.318 1.592 7.219 1.00 0.00 C ATOM 489 CG2 VAL B 12 -1.653 3.114 7.032 1.00 0.00 C ATOM 0 H VAL B 12 -3.464 1.435 5.899 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.874 1.895 4.766 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.732 1.023 7.555 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.474 1.920 8.247 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.663 0.564 7.110 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.879 2.237 6.543 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.497 3.443 8.059 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.092 3.758 6.355 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.714 3.171 6.790 1.00 0.00 H new ATOM 499 N GLU B 13 -1.457 -1.178 5.826 1.00 0.00 N ATOM 500 CA GLU B 13 -0.956 -2.557 5.626 1.00 0.00 C ATOM 501 C GLU B 13 -1.056 -2.852 4.135 1.00 0.00 C ATOM 502 O GLU B 13 -0.274 -3.593 3.573 1.00 0.00 O ATOM 503 CB GLU B 13 -1.820 -3.545 6.413 1.00 0.00 C ATOM 504 CG GLU B 13 -1.157 -3.846 7.758 1.00 0.00 C ATOM 505 CD GLU B 13 -2.126 -3.510 8.893 1.00 0.00 C ATOM 506 OE1 GLU B 13 -2.582 -2.379 8.940 1.00 0.00 O ATOM 507 OE2 GLU B 13 -2.396 -4.388 9.696 1.00 0.00 O ATOM 0 H GLU B 13 -2.282 -1.088 6.420 1.00 0.00 H new ATOM 0 HA GLU B 13 0.072 -2.655 5.976 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -2.815 -3.128 6.571 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -1.947 -4.466 5.844 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.873 -4.897 7.808 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.242 -3.263 7.863 1.00 0.00 H new ATOM 514 N ALA B 14 -2.020 -2.250 3.493 1.00 0.00 N ATOM 515 CA ALA B 14 -2.196 -2.452 2.033 1.00 0.00 C ATOM 516 C ALA B 14 -1.072 -1.738 1.289 1.00 0.00 C ATOM 517 O ALA B 14 -0.464 -2.275 0.384 1.00 0.00 O ATOM 518 CB ALA B 14 -3.546 -1.880 1.595 1.00 0.00 C ATOM 0 H ALA B 14 -2.698 -1.622 3.925 1.00 0.00 H new ATOM 0 HA ALA B 14 -2.167 -3.517 1.805 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -3.674 -2.029 0.523 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -4.348 -2.389 2.130 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.580 -0.814 1.820 1.00 0.00 H new ATOM 524 N LEU B 15 -0.802 -0.519 1.664 1.00 0.00 N ATOM 525 CA LEU B 15 0.271 0.256 0.985 1.00 0.00 C ATOM 526 C LEU B 15 1.615 -0.448 1.182 1.00 0.00 C ATOM 527 O LEU B 15 2.445 -0.472 0.297 1.00 0.00 O ATOM 528 CB LEU B 15 0.308 1.687 1.557 1.00 0.00 C ATOM 529 CG LEU B 15 1.292 1.787 2.729 1.00 0.00 C ATOM 530 CD1 LEU B 15 2.700 2.056 2.194 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.871 2.938 3.646 1.00 0.00 C ATOM 0 H LEU B 15 -1.282 -0.024 2.416 1.00 0.00 H new ATOM 0 HA LEU B 15 0.068 0.315 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.598 2.388 0.774 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.689 1.975 1.890 1.00 0.00 H new ATOM 0 HG LEU B 15 1.288 0.851 3.288 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.399 2.127 3.028 1.00 0.00 H new ATOM 0 HD12 LEU B 15 3.001 1.241 1.536 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.705 2.992 1.636 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.568 3.012 4.480 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.877 3.872 3.084 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.133 2.751 4.028 1.00 0.00 H new ATOM 543 N TYR B 16 1.836 -1.020 2.332 1.00 0.00 N ATOM 544 CA TYR B 16 3.128 -1.718 2.575 1.00 0.00 C ATOM 545 C TYR B 16 3.187 -2.979 1.716 1.00 0.00 C ATOM 546 O TYR B 16 4.133 -3.209 0.989 1.00 0.00 O ATOM 547 CB TYR B 16 3.223 -2.106 4.053 1.00 0.00 C ATOM 548 CG TYR B 16 4.630 -1.877 4.548 1.00 0.00 C ATOM 549 CD1 TYR B 16 5.004 -0.619 5.036 1.00 0.00 C ATOM 550 CD2 TYR B 16 5.561 -2.922 4.522 1.00 0.00 C ATOM 551 CE1 TYR B 16 6.309 -0.407 5.497 1.00 0.00 C ATOM 552 CE2 TYR B 16 6.865 -2.710 4.984 1.00 0.00 C ATOM 553 CZ TYR B 16 7.239 -1.452 5.471 1.00 0.00 C ATOM 554 OH TYR B 16 8.526 -1.243 5.925 1.00 0.00 O ATOM 0 H TYR B 16 1.179 -1.034 3.112 1.00 0.00 H new ATOM 0 HA TYR B 16 3.957 -1.059 2.316 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.520 -1.515 4.640 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.947 -3.152 4.183 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.286 0.188 5.057 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.273 -3.892 4.145 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.598 0.563 5.873 1.00 0.00 H new ATOM 0 HE2 TYR B 16 7.583 -3.517 4.965 1.00 0.00 H new ATOM 0 HH TYR B 16 8.660 -1.729 6.765 1.00 0.00 H new ATOM 564 N LEU B 17 2.178 -3.796 1.797 1.00 0.00 N ATOM 565 CA LEU B 17 2.157 -5.048 0.991 1.00 0.00 C ATOM 566 C LEU B 17 1.971 -4.726 -0.492 1.00 0.00 C ATOM 567 O LEU B 17 2.622 -5.293 -1.347 1.00 0.00 O ATOM 568 CB LEU B 17 1.009 -5.941 1.467 1.00 0.00 C ATOM 569 CG LEU B 17 1.207 -7.359 0.928 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.439 -7.988 1.581 1.00 0.00 C ATOM 571 CD2 LEU B 17 -0.027 -8.203 1.252 1.00 0.00 C ATOM 0 H LEU B 17 1.361 -3.651 2.390 1.00 0.00 H new ATOM 0 HA LEU B 17 3.107 -5.566 1.121 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.974 -5.956 2.556 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.056 -5.540 1.123 1.00 0.00 H new ATOM 0 HG LEU B 17 1.349 -7.320 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.579 -8.998 1.196 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.319 -7.387 1.352 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.298 -8.028 2.661 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.113 -9.214 0.869 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -0.168 -8.241 2.332 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.906 -7.756 0.787 1.00 0.00 H new ATOM 583 N VAL B 18 1.075 -3.834 -0.804 1.00 0.00 N ATOM 584 CA VAL B 18 0.833 -3.493 -2.234 1.00 0.00 C ATOM 585 C VAL B 18 2.137 -3.020 -2.879 1.00 0.00 C ATOM 586 O VAL B 18 2.496 -3.446 -3.959 1.00 0.00 O ATOM 587 CB VAL B 18 -0.229 -2.390 -2.321 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.396 -1.034 -1.985 1.00 0.00 C ATOM 589 CG2 VAL B 18 -0.804 -2.348 -3.738 1.00 0.00 C ATOM 0 H VAL B 18 0.500 -3.326 -0.132 1.00 0.00 H new ATOM 0 HA VAL B 18 0.477 -4.376 -2.765 1.00 0.00 H new ATOM 0 HB VAL B 18 -1.025 -2.603 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -0.365 -0.257 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.802 -1.061 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.197 -0.817 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -1.559 -1.564 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.005 -2.140 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -1.259 -3.310 -3.975 1.00 0.00 H new ATOM 599 N CYS B 19 2.849 -2.150 -2.225 1.00 0.00 N ATOM 600 CA CYS B 19 4.132 -1.658 -2.796 1.00 0.00 C ATOM 601 C CYS B 19 4.831 -0.782 -1.763 1.00 0.00 C ATOM 602 O CYS B 19 5.540 0.145 -2.095 1.00 0.00 O ATOM 603 CB CYS B 19 3.858 -0.835 -4.055 1.00 0.00 C ATOM 604 SG CYS B 19 5.211 -1.067 -5.234 1.00 0.00 S ATOM 0 H CYS B 19 2.598 -1.757 -1.318 1.00 0.00 H new ATOM 0 HA CYS B 19 4.765 -2.507 -3.054 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.913 -1.142 -4.504 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.762 0.220 -3.799 1.00 0.00 H new ATOM 609 N GLY B 20 4.636 -1.067 -0.508 1.00 0.00 N ATOM 610 CA GLY B 20 5.293 -0.242 0.542 1.00 0.00 C ATOM 611 C GLY B 20 6.212 -1.129 1.377 1.00 0.00 C ATOM 612 O GLY B 20 6.685 -0.740 2.426 1.00 0.00 O ATOM 0 H GLY B 20 4.054 -1.831 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.865 0.564 0.083 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.541 0.224 1.179 1.00 0.00 H new ATOM 616 N GLU B 21 6.480 -2.315 0.909 1.00 0.00 N ATOM 617 CA GLU B 21 7.385 -3.227 1.660 1.00 0.00 C ATOM 618 C GLU B 21 8.800 -3.043 1.126 1.00 0.00 C ATOM 619 O GLU B 21 9.767 -3.041 1.862 1.00 0.00 O ATOM 620 CB GLU B 21 6.953 -4.681 1.453 1.00 0.00 C ATOM 621 CG GLU B 21 6.455 -4.882 0.019 1.00 0.00 C ATOM 622 CD GLU B 21 6.256 -6.375 -0.247 1.00 0.00 C ATOM 623 OE1 GLU B 21 5.915 -7.083 0.687 1.00 0.00 O ATOM 624 OE2 GLU B 21 6.449 -6.785 -1.379 1.00 0.00 O ATOM 0 H GLU B 21 6.110 -2.693 0.037 1.00 0.00 H new ATOM 0 HA GLU B 21 7.344 -2.995 2.724 1.00 0.00 H new ATOM 0 HB2 GLU B 21 7.791 -5.349 1.653 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.164 -4.938 2.160 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.517 -4.347 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU B 21 7.174 -4.468 -0.688 1.00 0.00 H new ATOM 631 N ARG B 22 8.917 -2.882 -0.158 1.00 0.00 N ATOM 632 CA ARG B 22 10.252 -2.688 -0.774 1.00 0.00 C ATOM 633 C ARG B 22 10.569 -1.194 -0.830 1.00 0.00 C ATOM 634 O ARG B 22 11.683 -0.774 -0.585 1.00 0.00 O ATOM 635 CB ARG B 22 10.254 -3.267 -2.191 1.00 0.00 C ATOM 636 CG ARG B 22 11.174 -4.488 -2.242 1.00 0.00 C ATOM 637 CD ARG B 22 11.958 -4.482 -3.556 1.00 0.00 C ATOM 638 NE ARG B 22 11.008 -4.421 -4.702 1.00 0.00 N ATOM 639 CZ ARG B 22 10.799 -5.482 -5.434 1.00 0.00 C ATOM 640 NH1 ARG B 22 10.136 -6.493 -4.942 1.00 0.00 N ATOM 641 NH2 ARG B 22 11.253 -5.532 -6.656 1.00 0.00 N ATOM 0 H ARG B 22 8.136 -2.877 -0.814 1.00 0.00 H new ATOM 0 HA ARG B 22 11.007 -3.199 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.242 -3.549 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG B 22 10.592 -2.514 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG B 22 11.861 -4.474 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG B 22 10.587 -5.403 -2.161 1.00 0.00 H new ATOM 0 HD2 ARG B 22 12.634 -3.627 -3.584 1.00 0.00 H new ATOM 0 HD3 ARG B 22 12.574 -5.378 -3.628 1.00 0.00 H new ATOM 0 HE ARG B 22 10.521 -3.550 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG B 22 9.782 -6.454 -3.986 1.00 0.00 H new ATOM 0 HH12 ARG B 22 9.972 -7.322 -5.513 1.00 0.00 H new ATOM 0 HH21 ARG B 22 11.772 -4.742 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG B 22 11.089 -6.361 -7.227 1.00 0.00 H new ATOM 655 N GLY B 23 9.595 -0.387 -1.149 1.00 0.00 N ATOM 656 CA GLY B 23 9.836 1.082 -1.218 1.00 0.00 C ATOM 657 C GLY B 23 10.066 1.628 0.193 1.00 0.00 C ATOM 658 O GLY B 23 10.586 2.710 0.373 1.00 0.00 O ATOM 0 H GLY B 23 8.643 -0.681 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY B 23 10.702 1.290 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY B 23 8.982 1.580 -1.678 1.00 0.00 H new ATOM 662 N PHE B 24 9.681 0.885 1.195 1.00 0.00 N ATOM 663 CA PHE B 24 9.878 1.361 2.594 1.00 0.00 C ATOM 664 C PHE B 24 11.225 0.859 3.118 1.00 0.00 C ATOM 665 O PHE B 24 12.081 1.633 3.498 1.00 0.00 O ATOM 666 CB PHE B 24 8.752 0.821 3.479 1.00 0.00 C ATOM 667 CG PHE B 24 7.512 1.664 3.286 1.00 0.00 C ATOM 668 CD1 PHE B 24 6.939 1.789 2.014 1.00 0.00 C ATOM 669 CD2 PHE B 24 6.941 2.325 4.379 1.00 0.00 C ATOM 670 CE1 PHE B 24 5.794 2.576 1.838 1.00 0.00 C ATOM 671 CE2 PHE B 24 5.798 3.112 4.202 1.00 0.00 C ATOM 672 CZ PHE B 24 5.224 3.238 2.932 1.00 0.00 C ATOM 0 H PHE B 24 9.239 -0.030 1.106 1.00 0.00 H new ATOM 0 HA PHE B 24 9.864 2.451 2.613 1.00 0.00 H new ATOM 0 HB2 PHE B 24 8.542 -0.218 3.225 1.00 0.00 H new ATOM 0 HB3 PHE B 24 9.057 0.838 4.525 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.380 1.279 1.170 1.00 0.00 H new ATOM 0 HD2 PHE B 24 7.383 2.228 5.360 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.351 2.672 0.858 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.358 3.623 5.046 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.342 3.846 2.796 1.00 0.00 H new ATOM 682 N PHE B 25 11.421 -0.431 3.139 1.00 0.00 N ATOM 683 CA PHE B 25 12.714 -0.981 3.637 1.00 0.00 C ATOM 684 C PHE B 25 13.684 -1.135 2.464 1.00 0.00 C ATOM 685 O PHE B 25 13.286 -1.167 1.317 1.00 0.00 O ATOM 686 CB PHE B 25 12.473 -2.346 4.283 1.00 0.00 C ATOM 687 CG PHE B 25 12.499 -2.204 5.786 1.00 0.00 C ATOM 688 CD1 PHE B 25 13.721 -2.061 6.455 1.00 0.00 C ATOM 689 CD2 PHE B 25 11.301 -2.216 6.511 1.00 0.00 C ATOM 690 CE1 PHE B 25 13.745 -1.930 7.848 1.00 0.00 C ATOM 691 CE2 PHE B 25 11.325 -2.085 7.905 1.00 0.00 C ATOM 692 CZ PHE B 25 12.547 -1.942 8.573 1.00 0.00 C ATOM 0 H PHE B 25 10.742 -1.128 2.833 1.00 0.00 H new ATOM 0 HA PHE B 25 13.140 -0.301 4.375 1.00 0.00 H new ATOM 0 HB2 PHE B 25 11.512 -2.748 3.962 1.00 0.00 H new ATOM 0 HB3 PHE B 25 13.238 -3.053 3.961 1.00 0.00 H new ATOM 0 HD1 PHE B 25 14.645 -2.052 5.896 1.00 0.00 H new ATOM 0 HD2 PHE B 25 10.359 -2.326 5.995 1.00 0.00 H new ATOM 0 HE1 PHE B 25 14.687 -1.820 8.364 1.00 0.00 H new ATOM 0 HE2 PHE B 25 10.401 -2.094 8.465 1.00 0.00 H new ATOM 0 HZ PHE B 25 12.566 -1.841 9.648 1.00 0.00 H new ATOM 702 N TYR B 26 14.956 -1.229 2.741 1.00 0.00 N ATOM 703 CA TYR B 26 15.948 -1.380 1.639 1.00 0.00 C ATOM 704 C TYR B 26 16.725 -2.688 1.825 1.00 0.00 C ATOM 705 O TYR B 26 16.984 -3.099 2.938 1.00 0.00 O ATOM 706 CB TYR B 26 16.921 -0.200 1.666 1.00 0.00 C ATOM 707 CG TYR B 26 16.161 1.072 1.955 1.00 0.00 C ATOM 708 CD1 TYR B 26 15.041 1.408 1.186 1.00 0.00 C ATOM 709 CD2 TYR B 26 16.576 1.915 2.994 1.00 0.00 C ATOM 710 CE1 TYR B 26 14.336 2.587 1.454 1.00 0.00 C ATOM 711 CE2 TYR B 26 15.870 3.094 3.262 1.00 0.00 C ATOM 712 CZ TYR B 26 14.750 3.430 2.492 1.00 0.00 C ATOM 713 OH TYR B 26 14.055 4.592 2.756 1.00 0.00 O ATOM 0 H TYR B 26 15.351 -1.208 3.681 1.00 0.00 H new ATOM 0 HA TYR B 26 15.428 -1.401 0.681 1.00 0.00 H new ATOM 0 HB2 TYR B 26 17.684 -0.361 2.427 1.00 0.00 H new ATOM 0 HB3 TYR B 26 17.437 -0.119 0.710 1.00 0.00 H new ATOM 0 HD1 TYR B 26 14.721 0.757 0.386 1.00 0.00 H new ATOM 0 HD2 TYR B 26 17.440 1.656 3.588 1.00 0.00 H new ATOM 0 HE1 TYR B 26 13.472 2.846 0.860 1.00 0.00 H new ATOM 0 HE2 TYR B 26 16.189 3.744 4.063 1.00 0.00 H new ATOM 0 HH TYR B 26 14.474 5.060 3.508 1.00 0.00 H new ATOM 723 N PRO B 27 17.072 -3.303 0.722 1.00 0.00 N ATOM 724 CA PRO B 27 17.821 -4.572 0.723 1.00 0.00 C ATOM 725 C PRO B 27 19.307 -4.315 0.991 1.00 0.00 C ATOM 726 O PRO B 27 19.859 -3.314 0.578 1.00 0.00 O ATOM 727 CB PRO B 27 17.608 -5.115 -0.692 1.00 0.00 C ATOM 728 CG PRO B 27 17.248 -3.897 -1.577 1.00 0.00 C ATOM 729 CD PRO B 27 16.749 -2.793 -0.626 1.00 0.00 C ATOM 0 HA PRO B 27 17.489 -5.266 1.495 1.00 0.00 H new ATOM 0 HB2 PRO B 27 18.508 -5.609 -1.058 1.00 0.00 H new ATOM 0 HB3 PRO B 27 16.809 -5.856 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO B 27 18.117 -3.558 -2.142 1.00 0.00 H new ATOM 0 HG3 PRO B 27 16.479 -4.160 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO B 27 17.247 -1.843 -0.822 1.00 0.00 H new ATOM 0 HD3 PRO B 27 15.679 -2.622 -0.741 1.00 0.00 H new ATOM 737 N THR B 28 19.960 -5.212 1.679 1.00 0.00 N ATOM 738 CA THR B 28 21.408 -5.020 1.971 1.00 0.00 C ATOM 739 C THR B 28 21.941 -6.236 2.732 1.00 0.00 C ATOM 740 O THR B 28 22.415 -6.124 3.845 1.00 0.00 O ATOM 741 CB THR B 28 21.596 -3.762 2.823 1.00 0.00 C ATOM 742 OG1 THR B 28 20.333 -3.150 3.044 1.00 0.00 O ATOM 743 CG2 THR B 28 22.520 -2.784 2.096 1.00 0.00 C ATOM 0 H THR B 28 19.552 -6.070 2.051 1.00 0.00 H new ATOM 0 HA THR B 28 21.955 -4.909 1.035 1.00 0.00 H new ATOM 0 HB THR B 28 22.041 -4.033 3.780 1.00 0.00 H new ATOM 0 HG1 THR B 28 20.451 -2.345 3.590 1.00 0.00 H new ATOM 0 HG21 THR B 28 22.653 -1.889 2.704 1.00 0.00 H new ATOM 0 HG22 THR B 28 23.488 -3.255 1.927 1.00 0.00 H new ATOM 0 HG23 THR B 28 22.078 -2.510 1.138 1.00 0.00 H new ATOM 751 N LYS B 29 21.867 -7.397 2.141 1.00 0.00 N ATOM 752 CA LYS B 29 22.369 -8.618 2.831 1.00 0.00 C ATOM 753 C LYS B 29 23.695 -9.050 2.201 1.00 0.00 C ATOM 754 O LYS B 29 23.756 -9.403 1.041 1.00 0.00 O ATOM 755 CB LYS B 29 21.344 -9.744 2.685 1.00 0.00 C ATOM 756 CG LYS B 29 20.849 -9.801 1.239 1.00 0.00 C ATOM 757 CD LYS B 29 20.123 -11.126 0.998 1.00 0.00 C ATOM 758 CE LYS B 29 18.633 -10.859 0.779 1.00 0.00 C ATOM 759 NZ LYS B 29 18.052 -10.248 2.008 1.00 0.00 N ATOM 0 H LYS B 29 21.480 -7.552 1.210 1.00 0.00 H new ATOM 0 HA LYS B 29 22.522 -8.401 3.888 1.00 0.00 H new ATOM 0 HB2 LYS B 29 21.793 -10.697 2.964 1.00 0.00 H new ATOM 0 HB3 LYS B 29 20.506 -9.576 3.361 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.178 -8.965 1.040 1.00 0.00 H new ATOM 0 HG3 LYS B 29 21.690 -9.705 0.552 1.00 0.00 H new ATOM 0 HD2 LYS B 29 20.544 -11.631 0.129 1.00 0.00 H new ATOM 0 HD3 LYS B 29 20.263 -11.790 1.851 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.493 -10.193 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS B 29 18.117 -11.790 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 17.020 -10.374 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 18.454 -10.710 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 18.277 -9.233 2.030 1.00 0.00 H new ATOM 773 N THR B 30 24.758 -9.024 2.958 1.00 0.00 N ATOM 774 CA THR B 30 26.079 -9.434 2.402 1.00 0.00 C ATOM 775 C THR B 30 26.870 -10.190 3.471 1.00 0.00 C ATOM 776 O THR B 30 27.337 -11.278 3.175 1.00 0.00 O ATOM 777 CB THR B 30 26.861 -8.189 1.974 1.00 0.00 C ATOM 778 OG1 THR B 30 25.990 -7.296 1.294 1.00 0.00 O ATOM 779 CG2 THR B 30 28.005 -8.598 1.044 1.00 0.00 C ATOM 780 OXT THR B 30 26.996 -9.669 4.567 1.00 0.00 O ATOM 0 H THR B 30 24.769 -8.737 3.937 1.00 0.00 H new ATOM 0 HA THR B 30 25.925 -10.081 1.539 1.00 0.00 H new ATOM 0 HB THR B 30 27.272 -7.696 2.855 1.00 0.00 H new ATOM 0 HG1 THR B 30 26.488 -6.498 1.021 1.00 0.00 H new ATOM 0 HG21 THR B 30 28.561 -7.711 0.740 1.00 0.00 H new ATOM 0 HG22 THR B 30 28.672 -9.283 1.567 1.00 0.00 H new ATOM 0 HG23 THR B 30 27.598 -9.091 0.162 1.00 0.00 H new TER 788 THR B 30