USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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 Set 1.1: B 4 GLN : amide:sc= 0.809 K(o=1.8,f=-1.7) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 1.01 K(o=1.8,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0.459 (180deg=0.377) USER MOD Single : A 5 GLN : amide:sc=-0.00382 X(o=-0.0038,f=-0.0038) USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.00323 USER MOD Single : A 9 SER OG : rot 25:sc= 0.36 USER MOD Single : A 12 SER OG : rot -170:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00376 K(o=-0.0038,f=-1.5!) USER MOD Single : A 18 ASN : amide:sc= 0.0348 X(o=0.035,f=0) USER MOD Single : A 19 TYR OH : rot -106:sc= 1.32 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : B 1 PHE N :NH3+ -120:sc= 0.0786 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.3!) USER MOD Single : B 5 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-6.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0727 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 USER MOD Single : B 29 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.114) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.953 0.960 -0.669 1.00 25.00 N ATOM 2 CA GLY A 1 3.750 2.360 -1.123 1.00 25.00 C ATOM 3 C GLY A 1 2.845 2.415 -2.323 1.00 25.00 C ATOM 4 O GLY A 1 2.631 1.392 -2.949 1.00 25.00 O ATOM 0 H1 GLY A 1 4.406 0.961 0.267 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.033 0.478 -0.608 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.561 0.460 -1.348 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.321 2.950 -0.313 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.712 2.809 -1.369 1.00 25.00 H new ATOM 10 N ILE A 2 2.297 3.578 -2.651 1.00 25.00 N ATOM 11 CA ILE A 2 1.316 3.680 -3.740 1.00 25.00 C ATOM 12 C ILE A 2 1.876 3.209 -5.097 1.00 25.00 C ATOM 13 O ILE A 2 1.177 2.577 -5.872 1.00 25.00 O ATOM 14 CB ILE A 2 0.746 5.141 -3.827 1.00 25.00 C ATOM 15 CG1 ILE A 2 -0.541 5.153 -4.673 1.00 25.00 C ATOM 16 CG2 ILE A 2 1.819 6.145 -4.361 1.00 25.00 C ATOM 17 CD1 ILE A 2 -1.301 6.490 -4.673 1.00 25.00 C ATOM 0 H ILE A 2 2.509 4.461 -2.187 1.00 25.00 H new ATOM 0 HA ILE A 2 0.498 3.000 -3.502 1.00 25.00 H new ATOM 0 HB ILE A 2 0.489 5.478 -2.823 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.285 4.897 -5.701 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.207 4.372 -4.306 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.389 7.146 -4.408 1.00 25.00 H new ATOM 0 HG22 ILE A 2 2.678 6.150 -3.690 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.138 5.840 -5.358 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.192 6.402 -5.295 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.593 6.742 -3.654 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.657 7.275 -5.071 1.00 25.00 H new ATOM 29 N VAL A 3 3.153 3.449 -5.352 1.00 25.00 N ATOM 30 CA VAL A 3 3.785 3.049 -6.613 1.00 25.00 C ATOM 31 C VAL A 3 3.737 1.526 -6.853 1.00 25.00 C ATOM 32 O VAL A 3 3.686 1.072 -7.989 1.00 25.00 O ATOM 33 CB VAL A 3 5.265 3.593 -6.657 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.062 3.167 -5.404 1.00 25.00 C ATOM 35 CG2 VAL A 3 6.002 3.148 -7.926 1.00 25.00 C ATOM 0 H VAL A 3 3.781 3.922 -4.702 1.00 25.00 H new ATOM 0 HA VAL A 3 3.212 3.494 -7.427 1.00 25.00 H new ATOM 0 HB VAL A 3 5.195 4.681 -6.671 1.00 25.00 H new ATOM 0 HG11 VAL A 3 7.077 3.559 -5.468 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.576 3.562 -4.512 1.00 25.00 H new ATOM 0 HG13 VAL A 3 6.096 2.079 -5.347 1.00 25.00 H new ATOM 0 HG21 VAL A 3 7.017 3.545 -7.915 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.038 2.059 -7.963 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.475 3.523 -8.803 1.00 25.00 H new ATOM 45 N GLU A 4 3.709 0.733 -5.790 1.00 25.00 N ATOM 46 CA GLU A 4 3.742 -0.723 -5.923 1.00 25.00 C ATOM 47 C GLU A 4 2.486 -1.248 -6.585 1.00 25.00 C ATOM 48 O GLU A 4 2.553 -2.216 -7.330 1.00 25.00 O ATOM 49 CB GLU A 4 3.888 -1.402 -4.555 1.00 25.00 C ATOM 50 CG GLU A 4 5.336 -1.631 -4.120 1.00 25.00 C ATOM 51 CD GLU A 4 6.064 -0.352 -3.822 1.00 25.00 C ATOM 52 OE1 GLU A 4 5.664 0.488 -3.049 1.00 25.00 O ATOM 53 OE2 GLU A 4 7.171 -0.226 -4.487 1.00 25.00 O ATOM 0 H GLU A 4 3.664 1.069 -4.828 1.00 25.00 H new ATOM 0 HA GLU A 4 4.606 -0.958 -6.545 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.387 -0.792 -3.804 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.372 -2.362 -4.581 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.348 -2.265 -3.234 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.865 -2.170 -4.905 1.00 25.00 H new ATOM 61 N GLN A 5 1.357 -0.605 -6.325 1.00 25.00 N ATOM 62 CA GLN A 5 0.070 -1.073 -6.842 1.00 25.00 C ATOM 63 C GLN A 5 0.061 -1.143 -8.366 1.00 25.00 C ATOM 64 O GLN A 5 -0.572 -2.014 -8.950 1.00 25.00 O ATOM 65 CB GLN A 5 -1.065 -0.156 -6.361 1.00 25.00 C ATOM 66 CG GLN A 5 -1.047 0.152 -4.851 1.00 25.00 C ATOM 67 CD GLN A 5 -0.807 -1.074 -3.990 1.00 25.00 C ATOM 68 OE1 GLN A 5 0.241 -1.202 -3.370 1.00 25.00 O ATOM 69 NE2 GLN A 5 -1.766 -1.960 -3.937 1.00 25.00 N ATOM 0 H GLN A 5 1.301 0.242 -5.760 1.00 25.00 H new ATOM 0 HA GLN A 5 -0.086 -2.081 -6.457 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.012 0.784 -6.910 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.019 -0.619 -6.612 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.270 0.888 -4.647 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.997 0.605 -4.569 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.624 -1.815 -4.469 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.657 -2.796 -3.363 1.00 25.00 H new ATOM 78 N CYS A 6 0.804 -0.247 -8.999 1.00 25.00 N ATOM 79 CA CYS A 6 0.901 -0.253 -10.463 1.00 25.00 C ATOM 80 C CYS A 6 2.183 -0.917 -10.952 1.00 25.00 C ATOM 81 O CYS A 6 2.243 -1.416 -12.071 1.00 25.00 O ATOM 82 CB CYS A 6 0.841 1.173 -11.008 1.00 25.00 C ATOM 83 SG CYS A 6 -0.814 1.933 -10.927 1.00 25.00 S ATOM 0 H CYS A 6 1.343 0.485 -8.537 1.00 25.00 H new ATOM 0 HA CYS A 6 0.054 -0.831 -10.832 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.542 1.794 -10.449 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.176 1.168 -12.045 1.00 25.00 H new ATOM 88 N CYS A 7 3.220 -0.902 -10.130 1.00 25.00 N ATOM 89 CA CYS A 7 4.508 -1.454 -10.530 1.00 25.00 C ATOM 90 C CYS A 7 4.511 -2.984 -10.526 1.00 25.00 C ATOM 91 O CYS A 7 4.980 -3.606 -11.471 1.00 25.00 O ATOM 92 CB CYS A 7 5.605 -0.935 -9.594 1.00 25.00 C ATOM 93 SG CYS A 7 7.304 -1.214 -10.195 1.00 25.00 S ATOM 0 H CYS A 7 3.198 -0.516 -9.186 1.00 25.00 H new ATOM 0 HA CYS A 7 4.699 -1.129 -11.553 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.458 0.134 -9.440 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.493 -1.415 -8.622 1.00 25.00 H new ATOM 98 N THR A 8 4.026 -3.588 -9.448 1.00 25.00 N ATOM 99 CA THR A 8 4.086 -5.046 -9.308 1.00 25.00 C ATOM 100 C THR A 8 2.879 -5.751 -9.919 1.00 25.00 C ATOM 101 O THR A 8 2.924 -6.950 -10.188 1.00 25.00 O ATOM 102 CB THR A 8 4.251 -5.469 -7.811 1.00 25.00 C ATOM 103 OG1 THR A 8 4.864 -6.756 -7.747 1.00 25.00 O ATOM 104 CG2 THR A 8 2.922 -5.542 -7.063 1.00 25.00 C ATOM 0 H THR A 8 3.591 -3.102 -8.664 1.00 25.00 H new ATOM 0 HA THR A 8 4.967 -5.364 -9.867 1.00 25.00 H new ATOM 0 HB THR A 8 4.866 -4.705 -7.336 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.548 -7.306 -8.494 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.102 -5.840 -6.030 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.441 -4.564 -7.080 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.273 -6.274 -7.544 1.00 25.00 H new ATOM 112 N SER A 9 1.796 -5.020 -10.130 1.00 25.00 N ATOM 113 CA SER A 9 0.566 -5.621 -10.625 1.00 25.00 C ATOM 114 C SER A 9 -0.161 -4.678 -11.565 1.00 25.00 C ATOM 115 O SER A 9 0.326 -3.597 -11.855 1.00 25.00 O ATOM 116 CB SER A 9 -0.330 -5.994 -9.440 1.00 25.00 C ATOM 117 OG SER A 9 -0.478 -4.890 -8.556 1.00 25.00 O ATOM 0 H SER A 9 1.742 -4.014 -9.967 1.00 25.00 H new ATOM 0 HA SER A 9 0.815 -6.521 -11.187 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.308 -6.310 -9.802 1.00 25.00 H new ATOM 0 HB3 SER A 9 0.100 -6.840 -8.904 1.00 25.00 H new ATOM 0 HG SER A 9 -0.333 -4.055 -9.048 1.00 25.00 H new ATOM 123 N ILE A 10 -1.234 -5.152 -12.178 1.00 25.00 N ATOM 124 CA ILE A 10 -1.941 -4.363 -13.184 1.00 25.00 C ATOM 125 C ILE A 10 -2.831 -3.396 -12.425 1.00 25.00 C ATOM 126 O ILE A 10 -3.506 -3.796 -11.484 1.00 25.00 O ATOM 127 CB ILE A 10 -2.838 -5.261 -14.108 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.011 -6.377 -14.788 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.566 -4.400 -15.175 1.00 25.00 C ATOM 130 CD1 ILE A 10 -0.987 -5.902 -15.822 1.00 25.00 C ATOM 0 H ILE A 10 -1.635 -6.073 -12.001 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.221 -3.855 -13.826 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.587 -5.737 -13.475 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.487 -6.939 -14.015 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -2.698 -7.069 -15.275 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.182 -5.043 -15.804 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.199 -3.664 -14.679 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.829 -3.887 -15.793 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.463 -6.763 -16.237 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.499 -5.368 -16.623 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.269 -5.236 -15.344 1.00 25.00 H new ATOM 142 N CYS A 11 -2.855 -2.142 -12.848 1.00 25.00 N ATOM 143 CA CYS A 11 -3.741 -1.154 -12.259 1.00 25.00 C ATOM 144 C CYS A 11 -4.470 -0.467 -13.408 1.00 25.00 C ATOM 145 O CYS A 11 -4.013 -0.508 -14.552 1.00 25.00 O ATOM 146 CB CYS A 11 -2.950 -0.159 -11.405 1.00 25.00 C ATOM 147 SG CYS A 11 -1.876 0.960 -12.358 1.00 25.00 S ATOM 0 H CYS A 11 -2.267 -1.784 -13.601 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.463 -1.621 -11.589 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.651 0.438 -10.822 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.337 -0.715 -10.695 1.00 25.00 H new ATOM 152 N SER A 12 -5.631 0.100 -13.115 1.00 25.00 N ATOM 153 CA SER A 12 -6.483 0.710 -14.136 1.00 25.00 C ATOM 154 C SER A 12 -6.505 2.220 -13.959 1.00 25.00 C ATOM 155 O SER A 12 -5.995 2.731 -12.969 1.00 25.00 O ATOM 156 CB SER A 12 -7.899 0.158 -13.995 1.00 25.00 C ATOM 157 OG SER A 12 -8.430 0.493 -12.723 1.00 25.00 O ATOM 0 H SER A 12 -6.011 0.152 -12.170 1.00 25.00 H new ATOM 0 HA SER A 12 -6.090 0.476 -15.125 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.535 0.564 -14.781 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.889 -0.925 -14.120 1.00 25.00 H new ATOM 0 HG SER A 12 -9.268 0.006 -12.580 1.00 25.00 H new ATOM 163 N LEU A 13 -7.133 2.932 -14.885 1.00 25.00 N ATOM 164 CA LEU A 13 -7.223 4.394 -14.800 1.00 25.00 C ATOM 165 C LEU A 13 -7.926 4.855 -13.519 1.00 25.00 C ATOM 166 O LEU A 13 -7.626 5.914 -12.988 1.00 25.00 O ATOM 167 CB LEU A 13 -7.932 4.962 -16.041 1.00 25.00 C ATOM 168 CG LEU A 13 -9.450 4.733 -16.171 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.237 5.941 -15.644 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.814 4.483 -17.629 1.00 25.00 C ATOM 0 H LEU A 13 -7.588 2.528 -15.704 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.205 4.781 -14.766 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.752 6.037 -16.066 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.453 4.538 -16.923 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.714 3.861 -15.573 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.306 5.752 -15.748 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.997 6.101 -14.593 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.968 6.829 -16.217 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.889 4.322 -17.713 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.529 5.347 -18.229 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.286 3.601 -17.990 1.00 25.00 H new ATOM 182 N TYR A 14 -8.824 4.032 -12.999 1.00 25.00 N ATOM 183 CA TYR A 14 -9.547 4.360 -11.775 1.00 25.00 C ATOM 184 C TYR A 14 -8.597 4.337 -10.584 1.00 25.00 C ATOM 185 O TYR A 14 -8.678 5.161 -9.689 1.00 25.00 O ATOM 186 CB TYR A 14 -10.674 3.352 -11.569 1.00 25.00 C ATOM 187 CG TYR A 14 -11.503 3.151 -12.820 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.417 4.135 -13.249 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.369 1.979 -13.592 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.179 3.953 -14.437 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.126 1.796 -14.779 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.018 2.786 -15.190 1.00 25.00 C ATOM 193 OH TYR A 14 -13.739 2.606 -16.342 1.00 25.00 O ATOM 0 H TYR A 14 -9.071 3.130 -13.405 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.970 5.361 -11.861 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.251 2.396 -11.259 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.319 3.693 -10.759 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.540 5.038 -12.669 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.681 1.209 -13.276 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.878 4.712 -14.755 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.012 0.894 -15.361 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.506 1.743 -16.742 1.00 25.00 H new ATOM 203 N GLN A 15 -7.659 3.405 -10.611 1.00 25.00 N ATOM 204 CA GLN A 15 -6.646 3.307 -9.567 1.00 25.00 C ATOM 205 C GLN A 15 -5.609 4.415 -9.730 1.00 25.00 C ATOM 206 O GLN A 15 -5.101 4.954 -8.754 1.00 25.00 O ATOM 207 CB GLN A 15 -5.978 1.948 -9.626 1.00 25.00 C ATOM 208 CG GLN A 15 -6.970 0.836 -9.415 1.00 25.00 C ATOM 209 CD GLN A 15 -6.335 -0.338 -8.758 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.537 -1.032 -9.352 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.646 -0.540 -7.511 1.00 25.00 N ATOM 0 H GLN A 15 -7.576 2.702 -11.346 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.126 3.424 -8.595 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.490 1.823 -10.593 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.199 1.891 -8.866 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.797 1.195 -8.802 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.391 0.535 -10.374 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.323 0.068 -7.049 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.213 -1.306 -6.995 1.00 25.00 H new ATOM 220 N LEU A 16 -5.336 4.778 -10.976 1.00 25.00 N ATOM 221 CA LEU A 16 -4.408 5.865 -11.290 1.00 25.00 C ATOM 222 C LEU A 16 -4.919 7.206 -10.757 1.00 25.00 C ATOM 223 O LEU A 16 -4.128 8.052 -10.360 1.00 25.00 O ATOM 224 CB LEU A 16 -4.130 5.934 -12.795 1.00 25.00 C ATOM 225 CG LEU A 16 -3.231 4.806 -13.343 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.196 4.832 -14.865 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.799 4.918 -12.821 1.00 25.00 C ATOM 0 H LEU A 16 -5.747 4.332 -11.796 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.465 5.651 -10.787 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.081 5.911 -13.327 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.662 6.893 -13.020 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.662 3.867 -12.997 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.556 4.028 -15.228 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.205 4.697 -15.255 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.802 5.790 -15.204 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.198 4.106 -13.230 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.374 5.874 -13.127 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.802 4.855 -11.733 1.00 25.00 H new ATOM 239 N GLU A 17 -6.232 7.394 -10.715 1.00 25.00 N ATOM 240 CA GLU A 17 -6.810 8.627 -10.158 1.00 25.00 C ATOM 241 C GLU A 17 -6.384 8.880 -8.702 1.00 25.00 C ATOM 242 O GLU A 17 -6.357 10.014 -8.268 1.00 25.00 O ATOM 243 CB GLU A 17 -8.343 8.589 -10.213 1.00 25.00 C ATOM 244 CG GLU A 17 -8.924 8.643 -11.613 1.00 25.00 C ATOM 245 CD GLU A 17 -9.941 9.737 -11.774 1.00 25.00 C ATOM 246 OE1 GLU A 17 -9.667 10.911 -11.823 1.00 25.00 O ATOM 247 OE2 GLU A 17 -11.149 9.305 -11.869 1.00 25.00 O ATOM 0 H GLU A 17 -6.918 6.720 -11.055 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.427 9.439 -10.777 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.689 7.678 -9.725 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.735 9.428 -9.638 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.118 8.792 -12.331 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.387 7.684 -11.848 1.00 25.00 H new ATOM 255 N ASN A 18 -6.015 7.835 -7.970 1.00 25.00 N ATOM 256 CA ASN A 18 -5.564 7.987 -6.575 1.00 25.00 C ATOM 257 C ASN A 18 -4.220 8.714 -6.468 1.00 25.00 C ATOM 258 O ASN A 18 -3.901 9.290 -5.437 1.00 25.00 O ATOM 259 CB ASN A 18 -5.451 6.626 -5.885 1.00 25.00 C ATOM 260 CG ASN A 18 -6.786 5.961 -5.706 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.671 6.483 -5.060 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.939 4.803 -6.281 1.00 25.00 N ATOM 0 H ASN A 18 -6.016 6.873 -8.310 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.320 8.594 -6.076 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.801 5.977 -6.472 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.978 6.754 -4.911 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.825 4.305 -6.196 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.173 4.394 -6.816 1.00 25.00 H new ATOM 269 N TYR A 19 -3.402 8.619 -7.507 1.00 25.00 N ATOM 270 CA TYR A 19 -2.096 9.284 -7.518 1.00 25.00 C ATOM 271 C TYR A 19 -2.313 10.781 -7.730 1.00 25.00 C ATOM 272 O TYR A 19 -1.478 11.608 -7.371 1.00 25.00 O ATOM 273 CB TYR A 19 -1.240 8.775 -8.665 1.00 25.00 C ATOM 274 CG TYR A 19 -0.819 7.332 -8.543 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.718 6.292 -8.840 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.487 6.992 -8.144 1.00 25.00 C ATOM 277 CE1 TYR A 19 -1.327 4.948 -8.755 1.00 25.00 C ATOM 278 CE2 TYR A 19 0.882 5.638 -8.049 1.00 25.00 C ATOM 279 CZ TYR A 19 -0.034 4.624 -8.364 1.00 25.00 C ATOM 280 OH TYR A 19 0.312 3.304 -8.281 1.00 25.00 O ATOM 0 H TYR A 19 -3.614 8.091 -8.353 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.595 9.080 -6.572 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.792 8.901 -9.596 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.347 9.395 -8.737 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.728 6.533 -9.139 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.194 7.773 -7.908 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -2.031 4.165 -8.994 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.884 5.386 -7.735 1.00 25.00 H new ATOM 0 HH TYR A 19 0.374 3.041 -7.339 1.00 25.00 H new ATOM 290 N CYS A 20 -3.428 11.108 -8.371 1.00 25.00 N ATOM 291 CA CYS A 20 -3.780 12.489 -8.668 1.00 25.00 C ATOM 292 C CYS A 20 -4.173 13.154 -7.353 1.00 25.00 C ATOM 293 O CYS A 20 -4.973 12.628 -6.587 1.00 25.00 O ATOM 294 CB CYS A 20 -4.950 12.533 -9.655 1.00 25.00 C ATOM 295 SG CYS A 20 -4.780 13.797 -10.956 1.00 25.00 S ATOM 0 H CYS A 20 -4.111 10.425 -8.698 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.938 13.011 -9.123 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.052 11.555 -10.125 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.871 12.718 -9.102 1.00 25.00 H new ATOM 300 N ASN A 21 -3.575 14.309 -7.057 1.00 25.00 N ATOM 301 CA ASN A 21 -3.815 14.986 -5.773 1.00 25.00 C ATOM 302 C ASN A 21 -3.684 16.500 -5.877 1.00 25.00 C ATOM 303 O ASN A 21 -4.624 17.249 -5.742 1.00 25.00 O ATOM 304 CB ASN A 21 -2.916 14.385 -4.671 1.00 25.00 C ATOM 305 CG ASN A 21 -3.179 15.047 -3.356 1.00 25.00 C ATOM 306 OD1 ASN A 21 -2.546 15.989 -2.956 1.00 25.00 O ATOM 307 ND2 ASN A 21 -4.153 14.524 -2.629 1.00 25.00 N ATOM 308 OXT ASN A 21 -2.492 16.914 -6.204 1.00 25.00 O ATOM 0 H ASN A 21 -2.927 14.794 -7.678 1.00 25.00 H new ATOM 0 HA ASN A 21 -4.852 14.806 -5.490 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -3.100 13.314 -4.588 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -1.868 14.508 -4.943 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -4.376 14.919 -1.716 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -4.680 13.726 -2.982 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -7.470 2.036 -23.348 1.00 25.00 N ATOM 318 CA PHE B 1 -6.397 1.681 -22.378 1.00 25.00 C ATOM 319 C PHE B 1 -5.917 0.270 -22.644 1.00 25.00 C ATOM 320 O PHE B 1 -6.625 -0.483 -23.290 1.00 25.00 O ATOM 321 CB PHE B 1 -6.941 1.793 -20.945 1.00 25.00 C ATOM 322 CG PHE B 1 -5.885 2.107 -19.915 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.479 3.439 -19.700 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.299 1.081 -19.146 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.487 3.748 -18.735 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.305 1.380 -18.176 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.898 2.718 -17.978 1.00 25.00 C ATOM 0 H1 PHE B 1 -7.174 2.862 -23.906 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.642 1.232 -23.985 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.344 2.262 -22.832 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.559 2.368 -22.495 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.705 2.570 -20.916 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.429 0.856 -20.677 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.928 4.234 -20.277 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.609 0.057 -19.296 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.184 4.773 -18.581 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.862 0.587 -17.592 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.137 2.950 -17.248 1.00 25.00 H new ATOM 339 N VAL B 2 -4.730 -0.091 -22.174 1.00 25.00 N ATOM 340 CA VAL B 2 -4.197 -1.439 -22.368 1.00 25.00 C ATOM 341 C VAL B 2 -3.557 -1.838 -21.042 1.00 25.00 C ATOM 342 O VAL B 2 -2.928 -1.009 -20.384 1.00 25.00 O ATOM 343 CB VAL B 2 -3.179 -1.491 -23.568 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.032 -0.475 -23.388 1.00 25.00 C ATOM 345 CG2 VAL B 2 -2.615 -2.905 -23.757 1.00 25.00 C ATOM 0 H VAL B 2 -4.113 0.532 -21.653 1.00 25.00 H new ATOM 0 HA VAL B 2 -4.985 -2.143 -22.637 1.00 25.00 H new ATOM 0 HB VAL B 2 -3.732 -1.217 -24.467 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.351 -0.541 -24.236 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.444 0.533 -23.332 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -1.490 -0.697 -22.469 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -1.915 -2.909 -24.593 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -2.098 -3.215 -22.849 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -3.431 -3.598 -23.964 1.00 25.00 H new ATOM 355 N ASN B 3 -3.765 -3.074 -20.613 1.00 25.00 N ATOM 356 CA ASN B 3 -3.225 -3.518 -19.337 1.00 25.00 C ATOM 357 C ASN B 3 -1.748 -3.778 -19.446 1.00 25.00 C ATOM 358 O ASN B 3 -1.300 -4.553 -20.280 1.00 25.00 O ATOM 359 CB ASN B 3 -3.873 -4.813 -18.864 1.00 25.00 C ATOM 360 CG ASN B 3 -5.298 -4.620 -18.414 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.702 -3.526 -18.058 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.067 -5.673 -18.441 1.00 25.00 N ATOM 0 H ASN B 3 -4.297 -3.780 -21.122 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.432 -2.719 -18.625 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.847 -5.544 -19.673 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.290 -5.227 -18.042 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.044 -5.598 -18.158 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.691 -6.571 -18.745 1.00 25.00 H new ATOM 369 N GLN B 4 -1.005 -3.164 -18.549 1.00 25.00 N ATOM 370 CA GLN B 4 0.412 -3.408 -18.414 1.00 25.00 C ATOM 371 C GLN B 4 0.738 -2.922 -17.029 1.00 25.00 C ATOM 372 O GLN B 4 0.069 -2.039 -16.499 1.00 25.00 O ATOM 373 CB GLN B 4 1.217 -2.636 -19.474 1.00 25.00 C ATOM 374 CG GLN B 4 0.955 -1.129 -19.498 1.00 25.00 C ATOM 375 CD GLN B 4 1.692 -0.432 -20.617 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.649 0.302 -20.390 1.00 25.00 O ATOM 377 NE2 GLN B 4 1.251 -0.644 -21.828 1.00 25.00 N ATOM 0 H GLN B 4 -1.372 -2.477 -17.890 1.00 25.00 H new ATOM 0 HA GLN B 4 0.667 -4.458 -18.561 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.280 -2.804 -19.298 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.987 -3.047 -20.457 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.115 -0.951 -19.606 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.256 -0.696 -18.544 1.00 25.00 H new ATOM 0 HE21 GLN B 4 0.453 -1.261 -21.979 1.00 25.00 H new ATOM 0 HE22 GLN B 4 1.705 -0.193 -22.622 1.00 25.00 H new ATOM 386 N HIS B 5 1.770 -3.494 -16.446 1.00 25.00 N ATOM 387 CA HIS B 5 2.311 -2.955 -15.206 1.00 25.00 C ATOM 388 C HIS B 5 2.903 -1.596 -15.573 1.00 25.00 C ATOM 389 O HIS B 5 3.485 -1.442 -16.648 1.00 25.00 O ATOM 390 CB HIS B 5 3.380 -3.881 -14.627 1.00 25.00 C ATOM 391 CG HIS B 5 2.877 -5.264 -14.354 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.726 -5.524 -13.632 1.00 25.00 N ATOM 393 CD2 HIS B 5 3.342 -6.486 -14.701 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.542 -6.840 -13.572 1.00 25.00 C ATOM 395 NE2 HIS B 5 2.507 -7.432 -14.206 1.00 25.00 N ATOM 0 H HIS B 5 2.249 -4.321 -16.801 1.00 25.00 H new ATOM 0 HA HIS B 5 1.542 -2.862 -14.440 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.218 -3.937 -15.322 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.761 -3.451 -13.701 1.00 25.00 H new ATOM 0 HD2 HIS B 5 4.234 -6.677 -15.279 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.721 -7.336 -13.075 1.00 25.00 H new ATOM 0 HE2 HIS B 5 2.619 -8.440 -14.314 1.00 25.00 H new ATOM 404 N LEU B 6 2.717 -0.611 -14.714 1.00 25.00 N ATOM 405 CA LEU B 6 3.167 0.749 -14.980 1.00 25.00 C ATOM 406 C LEU B 6 4.144 1.151 -13.893 1.00 25.00 C ATOM 407 O LEU B 6 3.775 1.308 -12.734 1.00 25.00 O ATOM 408 CB LEU B 6 1.973 1.709 -15.003 1.00 25.00 C ATOM 409 CG LEU B 6 0.973 1.520 -16.154 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.290 2.306 -15.856 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.566 1.975 -17.491 1.00 25.00 C ATOM 0 H LEU B 6 2.251 -0.727 -13.814 1.00 25.00 H new ATOM 0 HA LEU B 6 3.655 0.795 -15.954 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.434 1.608 -14.061 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.354 2.729 -15.044 1.00 25.00 H new ATOM 0 HG LEU B 6 0.740 0.458 -16.236 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -1.002 2.174 -16.671 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.732 1.946 -14.927 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.045 3.363 -15.756 1.00 25.00 H new ATOM 0 HD21 LEU B 6 0.832 1.827 -18.283 1.00 25.00 H new ATOM 0 HD22 LEU B 6 1.829 3.031 -17.432 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.460 1.391 -17.710 1.00 25.00 H new ATOM 423 N CYS B 7 5.403 1.288 -14.272 1.00 25.00 N ATOM 424 CA CYS B 7 6.453 1.629 -13.327 1.00 25.00 C ATOM 425 C CYS B 7 7.461 2.481 -14.076 1.00 25.00 C ATOM 426 O CYS B 7 7.456 2.498 -15.311 1.00 25.00 O ATOM 427 CB CYS B 7 7.103 0.352 -12.788 1.00 25.00 C ATOM 428 SG CYS B 7 7.790 0.535 -11.111 1.00 25.00 S ATOM 0 H CYS B 7 5.724 1.168 -15.233 1.00 25.00 H new ATOM 0 HA CYS B 7 6.057 2.177 -12.472 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.363 -0.448 -12.783 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.899 0.045 -13.466 1.00 25.00 H new ATOM 433 N GLY B 8 8.301 3.207 -13.355 1.00 25.00 N ATOM 434 CA GLY B 8 9.263 4.080 -14.004 1.00 25.00 C ATOM 435 C GLY B 8 8.540 5.147 -14.801 1.00 25.00 C ATOM 436 O GLY B 8 7.470 5.616 -14.402 1.00 25.00 O ATOM 0 H GLY B 8 8.336 3.209 -12.336 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.906 4.546 -13.257 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.909 3.498 -14.662 1.00 25.00 H new ATOM 440 N SER B 9 9.089 5.498 -15.955 1.00 25.00 N ATOM 441 CA SER B 9 8.491 6.511 -16.816 1.00 25.00 C ATOM 442 C SER B 9 7.074 6.162 -17.264 1.00 25.00 C ATOM 443 O SER B 9 6.246 7.045 -17.421 1.00 25.00 O ATOM 444 CB SER B 9 9.373 6.705 -18.046 1.00 25.00 C ATOM 445 OG SER B 9 10.732 6.501 -17.692 1.00 25.00 O ATOM 0 H SER B 9 9.952 5.094 -16.319 1.00 25.00 H new ATOM 0 HA SER B 9 8.422 7.428 -16.230 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.081 6.005 -18.829 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.238 7.709 -18.449 1.00 25.00 H new ATOM 0 HG SER B 9 11.298 6.624 -18.483 1.00 25.00 H new ATOM 451 N HIS B 10 6.772 4.881 -17.427 1.00 25.00 N ATOM 452 CA HIS B 10 5.434 4.479 -17.876 1.00 25.00 C ATOM 453 C HIS B 10 4.357 4.923 -16.902 1.00 25.00 C ATOM 454 O HIS B 10 3.257 5.268 -17.316 1.00 25.00 O ATOM 455 CB HIS B 10 5.344 2.966 -18.070 1.00 25.00 C ATOM 456 CG HIS B 10 5.829 2.508 -19.408 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.067 1.723 -20.277 1.00 25.00 N ATOM 458 CD2 HIS B 10 6.995 2.725 -20.072 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.762 1.513 -21.384 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.924 2.103 -21.280 1.00 25.00 N ATOM 0 H HIS B 10 7.418 4.110 -17.260 1.00 25.00 H new ATOM 0 HA HIS B 10 5.267 4.973 -18.833 1.00 25.00 H new ATOM 0 HB2 HIS B 10 5.927 2.472 -17.292 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.308 2.652 -17.940 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.129 1.370 -20.089 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.835 3.295 -19.703 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.423 0.945 -22.237 1.00 25.00 H new ATOM 469 N LEU B 11 4.665 4.930 -15.614 1.00 25.00 N ATOM 470 CA LEU B 11 3.675 5.332 -14.623 1.00 25.00 C ATOM 471 C LEU B 11 3.381 6.822 -14.725 1.00 25.00 C ATOM 472 O LEU B 11 2.227 7.216 -14.788 1.00 25.00 O ATOM 473 CB LEU B 11 4.148 4.972 -13.209 1.00 25.00 C ATOM 474 CG LEU B 11 3.166 5.270 -12.059 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.782 4.673 -12.296 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.734 4.703 -10.766 1.00 25.00 C ATOM 0 H LEU B 11 5.574 4.667 -15.234 1.00 25.00 H new ATOM 0 HA LEU B 11 2.752 4.788 -14.826 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.384 3.908 -13.189 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.076 5.509 -13.013 1.00 25.00 H new ATOM 0 HG LEU B 11 3.049 6.352 -12.000 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.133 4.914 -11.454 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.359 5.087 -13.211 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.864 3.590 -12.392 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.046 4.909 -9.946 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.866 3.626 -10.868 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.697 5.168 -10.557 1.00 25.00 H new ATOM 488 N VAL B 12 4.413 7.651 -14.776 1.00 25.00 N ATOM 489 CA VAL B 12 4.194 9.099 -14.829 1.00 25.00 C ATOM 490 C VAL B 12 3.558 9.493 -16.174 1.00 25.00 C ATOM 491 O VAL B 12 2.714 10.376 -16.223 1.00 25.00 O ATOM 492 CB VAL B 12 5.514 9.901 -14.508 1.00 25.00 C ATOM 493 CG1 VAL B 12 6.524 9.855 -15.656 1.00 25.00 C ATOM 494 CG2 VAL B 12 5.198 11.346 -14.150 1.00 25.00 C ATOM 0 H VAL B 12 5.391 7.361 -14.782 1.00 25.00 H new ATOM 0 HA VAL B 12 3.487 9.375 -14.047 1.00 25.00 H new ATOM 0 HB VAL B 12 5.973 9.410 -13.650 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.413 10.423 -15.381 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.802 8.820 -15.855 1.00 25.00 H new ATOM 0 HG13 VAL B 12 6.078 10.289 -16.551 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.124 11.878 -13.933 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.692 11.826 -14.987 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.551 11.370 -13.273 1.00 25.00 H new ATOM 504 N GLU B 13 3.893 8.779 -17.244 1.00 25.00 N ATOM 505 CA GLU B 13 3.297 9.038 -18.559 1.00 25.00 C ATOM 506 C GLU B 13 1.802 8.733 -18.537 1.00 25.00 C ATOM 507 O GLU B 13 1.003 9.468 -19.108 1.00 25.00 O ATOM 508 CB GLU B 13 3.971 8.174 -19.630 1.00 25.00 C ATOM 509 CG GLU B 13 5.360 8.661 -20.036 1.00 25.00 C ATOM 510 CD GLU B 13 6.093 7.660 -20.889 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.419 6.560 -20.504 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.350 8.087 -22.085 1.00 25.00 O ATOM 0 H GLU B 13 4.572 8.018 -17.231 1.00 25.00 H new ATOM 0 HA GLU B 13 3.447 10.091 -18.796 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.049 7.151 -19.261 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.334 8.146 -20.514 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.268 9.600 -20.581 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.945 8.869 -19.140 1.00 25.00 H new ATOM 520 N ALA B 14 1.422 7.655 -17.869 1.00 25.00 N ATOM 521 CA ALA B 14 0.019 7.280 -17.775 1.00 25.00 C ATOM 522 C ALA B 14 -0.751 8.315 -16.955 1.00 25.00 C ATOM 523 O ALA B 14 -1.896 8.629 -17.259 1.00 25.00 O ATOM 524 CB ALA B 14 -0.104 5.903 -17.139 1.00 25.00 C ATOM 0 H ALA B 14 2.063 7.026 -17.385 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.408 7.246 -18.777 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.156 5.626 -17.071 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.425 5.171 -17.750 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.331 5.923 -16.140 1.00 25.00 H new ATOM 530 N LEU B 15 -0.121 8.841 -15.916 1.00 25.00 N ATOM 531 CA LEU B 15 -0.773 9.820 -15.054 1.00 25.00 C ATOM 532 C LEU B 15 -1.082 11.122 -15.778 1.00 25.00 C ATOM 533 O LEU B 15 -2.106 11.733 -15.503 1.00 25.00 O ATOM 534 CB LEU B 15 0.081 10.105 -13.817 1.00 25.00 C ATOM 535 CG LEU B 15 0.146 8.964 -12.789 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.120 9.322 -11.667 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.231 8.676 -12.217 1.00 25.00 C ATOM 0 H LEU B 15 0.836 8.609 -15.649 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.723 9.381 -14.748 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.095 10.338 -14.141 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.309 10.995 -13.324 1.00 25.00 H new ATOM 0 HG LEU B 15 0.502 8.066 -13.294 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.158 8.507 -10.944 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.114 9.483 -12.085 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.784 10.232 -11.170 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.161 7.865 -11.492 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.615 9.570 -11.726 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.906 8.386 -13.022 1.00 25.00 H new ATOM 549 N TYR B 16 -0.265 11.503 -16.751 1.00 25.00 N ATOM 550 CA TYR B 16 -0.561 12.703 -17.541 1.00 25.00 C ATOM 551 C TYR B 16 -1.888 12.539 -18.268 1.00 25.00 C ATOM 552 O TYR B 16 -2.665 13.478 -18.369 1.00 25.00 O ATOM 553 CB TYR B 16 0.537 12.988 -18.573 1.00 25.00 C ATOM 554 CG TYR B 16 1.729 13.735 -18.012 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.649 15.119 -17.746 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.946 13.073 -17.754 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.762 15.822 -17.215 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.061 13.777 -17.224 1.00 25.00 C ATOM 559 CZ TYR B 16 3.953 15.145 -16.955 1.00 25.00 C ATOM 560 OH TYR B 16 5.025 15.832 -16.445 1.00 25.00 O ATOM 0 H TYR B 16 0.591 11.015 -17.013 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.613 13.542 -16.847 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.879 12.043 -18.995 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.110 13.567 -19.392 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.730 15.649 -17.949 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.033 12.017 -17.962 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.686 16.880 -17.013 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.988 13.258 -17.030 1.00 25.00 H new ATOM 0 HH TYR B 16 5.778 15.217 -16.319 1.00 25.00 H new ATOM 570 N LEU B 17 -2.161 11.339 -18.752 1.00 25.00 N ATOM 571 CA LEU B 17 -3.409 11.085 -19.466 1.00 25.00 C ATOM 572 C LEU B 17 -4.616 11.071 -18.538 1.00 25.00 C ATOM 573 O LEU B 17 -5.677 11.574 -18.878 1.00 25.00 O ATOM 574 CB LEU B 17 -3.353 9.731 -20.164 1.00 25.00 C ATOM 575 CG LEU B 17 -2.235 9.504 -21.193 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.228 8.028 -21.605 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.411 10.392 -22.425 1.00 25.00 C ATOM 0 H LEU B 17 -1.545 10.530 -18.667 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.520 11.897 -20.185 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.264 8.962 -19.397 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.308 9.572 -20.665 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.283 9.770 -20.733 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.437 7.858 -22.336 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.051 7.406 -20.727 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.191 7.769 -22.045 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.601 10.202 -23.129 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.366 10.168 -22.901 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.392 11.439 -22.124 1.00 25.00 H new ATOM 589 N VAL B 18 -4.466 10.427 -17.390 1.00 25.00 N ATOM 590 CA VAL B 18 -5.590 10.232 -16.471 1.00 25.00 C ATOM 591 C VAL B 18 -5.932 11.524 -15.744 1.00 25.00 C ATOM 592 O VAL B 18 -7.103 11.877 -15.594 1.00 25.00 O ATOM 593 CB VAL B 18 -5.270 9.107 -15.450 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.404 8.931 -14.440 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.048 7.791 -16.194 1.00 25.00 C ATOM 0 H VAL B 18 -3.583 10.030 -17.069 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.457 9.933 -17.060 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.368 9.390 -14.907 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.148 8.136 -13.740 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.552 9.862 -13.893 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.322 8.669 -14.966 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.823 7.001 -15.477 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.949 7.531 -16.750 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.213 7.901 -16.886 1.00 25.00 H new ATOM 605 N CYS B 19 -4.919 12.249 -15.308 1.00 25.00 N ATOM 606 CA CYS B 19 -5.153 13.520 -14.644 1.00 25.00 C ATOM 607 C CYS B 19 -5.538 14.580 -15.671 1.00 25.00 C ATOM 608 O CYS B 19 -6.291 15.509 -15.356 1.00 25.00 O ATOM 609 CB CYS B 19 -3.921 13.945 -13.851 1.00 25.00 C ATOM 610 SG CYS B 19 -3.664 12.886 -12.391 1.00 25.00 S ATOM 0 H CYS B 19 -3.938 11.985 -15.399 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.978 13.406 -13.941 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.041 13.900 -14.493 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.032 14.982 -13.534 1.00 25.00 H new ATOM 615 N GLY B 20 -5.068 14.433 -16.902 1.00 25.00 N ATOM 616 CA GLY B 20 -5.385 15.407 -17.928 1.00 25.00 C ATOM 617 C GLY B 20 -4.871 16.787 -17.560 1.00 25.00 C ATOM 618 O GLY B 20 -3.824 16.934 -16.928 1.00 25.00 O ATOM 0 H GLY B 20 -4.476 13.661 -17.208 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.947 15.095 -18.876 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.465 15.446 -18.073 1.00 25.00 H new ATOM 622 N GLU B 21 -5.642 17.803 -17.916 1.00 25.00 N ATOM 623 CA GLU B 21 -5.275 19.198 -17.650 1.00 25.00 C ATOM 624 C GLU B 21 -5.299 19.582 -16.163 1.00 25.00 C ATOM 625 O GLU B 21 -4.894 20.683 -15.814 1.00 25.00 O ATOM 626 CB GLU B 21 -6.221 20.130 -18.414 1.00 25.00 C ATOM 627 CG GLU B 21 -6.132 19.989 -19.931 1.00 25.00 C ATOM 628 CD GLU B 21 -7.078 20.903 -20.651 1.00 25.00 C ATOM 629 OE1 GLU B 21 -8.017 20.521 -21.282 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.797 22.151 -20.518 1.00 25.00 O ATOM 0 H GLU B 21 -6.536 17.692 -18.395 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.244 19.306 -17.986 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -7.245 19.930 -18.099 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.999 21.162 -18.141 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.112 20.201 -20.253 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.346 18.957 -20.210 1.00 25.00 H new ATOM 638 N ARG B 22 -5.762 18.690 -15.293 1.00 25.00 N ATOM 639 CA ARG B 22 -5.791 18.985 -13.852 1.00 25.00 C ATOM 640 C ARG B 22 -4.382 19.053 -13.281 1.00 25.00 C ATOM 641 O ARG B 22 -4.143 19.728 -12.288 1.00 25.00 O ATOM 642 CB ARG B 22 -6.568 17.909 -13.091 1.00 25.00 C ATOM 643 CG ARG B 22 -8.052 17.874 -13.428 1.00 25.00 C ATOM 644 CD ARG B 22 -8.753 16.750 -12.683 1.00 25.00 C ATOM 645 NE ARG B 22 -8.407 15.428 -13.236 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.812 14.261 -12.739 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.545 14.179 -11.656 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.487 13.154 -13.334 1.00 25.00 N ATOM 0 H ARG B 22 -6.119 17.769 -15.548 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.283 19.950 -13.732 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.131 16.935 -13.310 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.451 18.077 -12.020 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.510 18.828 -13.168 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.182 17.740 -14.502 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.479 16.786 -11.629 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.832 16.896 -12.737 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.811 15.406 -14.064 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.824 15.028 -11.164 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.836 13.267 -11.305 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.921 13.178 -14.182 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -8.797 12.260 -12.953 1.00 25.00 H new ATOM 662 N GLY B 23 -3.464 18.329 -13.903 1.00 25.00 N ATOM 663 CA GLY B 23 -2.106 18.252 -13.394 1.00 25.00 C ATOM 664 C GLY B 23 -2.032 17.306 -12.206 1.00 25.00 C ATOM 665 O GLY B 23 -3.055 16.810 -11.734 1.00 25.00 O ATOM 0 H GLY B 23 -3.633 17.791 -14.753 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.436 17.908 -14.182 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.766 19.244 -13.097 1.00 25.00 H new ATOM 669 N PHE B 24 -0.817 17.020 -11.759 1.00 25.00 N ATOM 670 CA PHE B 24 -0.575 16.100 -10.648 1.00 25.00 C ATOM 671 C PHE B 24 0.890 16.235 -10.278 1.00 25.00 C ATOM 672 O PHE B 24 1.648 16.894 -10.990 1.00 25.00 O ATOM 673 CB PHE B 24 -0.855 14.648 -11.059 1.00 25.00 C ATOM 674 CG PHE B 24 0.084 14.126 -12.109 1.00 25.00 C ATOM 675 CD1 PHE B 24 -0.076 14.489 -13.456 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.139 13.273 -11.754 1.00 25.00 C ATOM 677 CE1 PHE B 24 0.818 14.020 -14.438 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.040 12.797 -12.725 1.00 25.00 C ATOM 679 CZ PHE B 24 1.880 13.173 -14.075 1.00 25.00 C ATOM 0 H PHE B 24 0.034 17.419 -12.156 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.233 16.343 -9.814 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.790 14.011 -10.177 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.877 14.575 -11.430 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.893 15.135 -13.742 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.262 12.978 -10.722 1.00 25.00 H new ATOM 0 HE1 PHE B 24 0.688 14.311 -15.470 1.00 25.00 H new ATOM 0 HE2 PHE B 24 2.852 12.145 -12.437 1.00 25.00 H new ATOM 0 HZ PHE B 24 2.569 12.813 -14.825 1.00 25.00 H new ATOM 689 N PHE B 25 1.305 15.540 -9.232 1.00 25.00 N ATOM 690 CA PHE B 25 2.712 15.414 -8.894 1.00 25.00 C ATOM 691 C PHE B 25 2.930 13.929 -8.643 1.00 25.00 C ATOM 692 O PHE B 25 1.972 13.196 -8.408 1.00 25.00 O ATOM 693 CB PHE B 25 3.079 16.257 -7.665 1.00 25.00 C ATOM 694 CG PHE B 25 2.256 15.945 -6.438 1.00 25.00 C ATOM 695 CD1 PHE B 25 2.592 14.856 -5.608 1.00 25.00 C ATOM 696 CD2 PHE B 25 1.155 16.753 -6.092 1.00 25.00 C ATOM 697 CE1 PHE B 25 1.829 14.569 -4.448 1.00 25.00 C ATOM 698 CE2 PHE B 25 0.393 16.480 -4.928 1.00 25.00 C ATOM 699 CZ PHE B 25 0.730 15.385 -4.109 1.00 25.00 C ATOM 0 H PHE B 25 0.678 15.049 -8.595 1.00 25.00 H new ATOM 0 HA PHE B 25 3.352 15.785 -9.694 1.00 25.00 H new ATOM 0 HB2 PHE B 25 4.133 16.102 -7.432 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.959 17.312 -7.912 1.00 25.00 H new ATOM 0 HD1 PHE B 25 3.439 14.234 -5.858 1.00 25.00 H new ATOM 0 HD2 PHE B 25 0.888 17.590 -6.721 1.00 25.00 H new ATOM 0 HE1 PHE B 25 2.089 13.726 -3.825 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -0.445 17.111 -4.670 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.149 15.171 -3.224 1.00 25.00 H new ATOM 709 N TYR B 26 4.169 13.477 -8.718 1.00 25.00 N ATOM 710 CA TYR B 26 4.483 12.066 -8.536 1.00 25.00 C ATOM 711 C TYR B 26 5.731 11.956 -7.677 1.00 25.00 C ATOM 712 O TYR B 26 6.656 12.745 -7.824 1.00 25.00 O ATOM 713 CB TYR B 26 4.704 11.396 -9.894 1.00 25.00 C ATOM 714 CG TYR B 26 5.226 9.986 -9.770 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.446 8.978 -9.169 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.517 9.657 -10.227 1.00 25.00 C ATOM 717 CE1 TYR B 26 4.955 7.665 -9.017 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.024 8.345 -10.086 1.00 25.00 C ATOM 719 CZ TYR B 26 6.242 7.363 -9.475 1.00 25.00 C ATOM 720 OH TYR B 26 6.758 6.102 -9.332 1.00 25.00 O ATOM 0 H TYR B 26 4.979 14.068 -8.904 1.00 25.00 H new ATOM 0 HA TYR B 26 3.654 11.560 -8.042 1.00 25.00 H new ATOM 0 HB2 TYR B 26 3.764 11.384 -10.446 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.408 11.990 -10.477 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.450 9.209 -8.821 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.128 10.417 -10.691 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.352 6.900 -8.550 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.012 8.103 -10.449 1.00 25.00 H new ATOM 0 HH TYR B 26 7.663 6.074 -9.708 1.00 25.00 H new ATOM 730 N THR B 27 5.735 10.992 -6.770 1.00 25.00 N ATOM 731 CA THR B 27 6.841 10.796 -5.833 1.00 25.00 C ATOM 732 C THR B 27 7.525 9.430 -6.080 1.00 25.00 C ATOM 733 O THR B 27 7.016 8.366 -5.698 1.00 25.00 O ATOM 734 CB THR B 27 6.352 10.918 -4.369 1.00 25.00 C ATOM 735 OG1 THR B 27 7.250 10.236 -3.489 1.00 25.00 O ATOM 736 CG2 THR B 27 4.967 10.331 -4.218 1.00 25.00 C ATOM 0 H THR B 27 4.974 10.321 -6.659 1.00 25.00 H new ATOM 0 HA THR B 27 7.579 11.580 -6.003 1.00 25.00 H new ATOM 0 HB THR B 27 6.321 11.976 -4.111 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.931 10.321 -2.566 1.00 25.00 H new ATOM 0 HG21 THR B 27 4.642 10.427 -3.182 1.00 25.00 H new ATOM 0 HG22 THR B 27 4.273 10.865 -4.867 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.986 9.277 -4.496 1.00 25.00 H new ATOM 744 N PRO B 28 8.661 9.439 -6.790 1.00 25.00 N ATOM 745 CA PRO B 28 9.411 8.205 -7.035 1.00 25.00 C ATOM 746 C PRO B 28 10.250 7.835 -5.814 1.00 25.00 C ATOM 747 O PRO B 28 10.564 8.685 -4.988 1.00 25.00 O ATOM 748 CB PRO B 28 10.294 8.577 -8.227 1.00 25.00 C ATOM 749 CG PRO B 28 10.549 10.033 -8.058 1.00 25.00 C ATOM 750 CD PRO B 28 9.313 10.609 -7.402 1.00 25.00 C ATOM 0 HA PRO B 28 8.779 7.338 -7.228 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.224 8.008 -8.226 1.00 25.00 H new ATOM 0 HB3 PRO B 28 9.794 8.368 -9.173 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.431 10.204 -7.441 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.736 10.509 -9.021 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.570 11.360 -6.655 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.663 11.094 -8.130 1.00 25.00 H new ATOM 758 N LYS B 29 10.649 6.574 -5.702 1.00 25.00 N ATOM 759 CA LYS B 29 11.518 6.172 -4.593 1.00 25.00 C ATOM 760 C LYS B 29 12.962 6.418 -4.998 1.00 25.00 C ATOM 761 O LYS B 29 13.657 5.515 -5.464 1.00 25.00 O ATOM 762 CB LYS B 29 11.337 4.692 -4.244 1.00 25.00 C ATOM 763 CG LYS B 29 9.930 4.320 -3.783 1.00 25.00 C ATOM 764 CD LYS B 29 9.893 2.960 -3.049 1.00 25.00 C ATOM 765 CE LYS B 29 10.305 1.769 -3.939 1.00 25.00 C ATOM 766 NZ LYS B 29 11.793 1.467 -3.871 1.00 25.00 N ATOM 0 H LYS B 29 10.395 5.825 -6.346 1.00 25.00 H new ATOM 0 HA LYS B 29 11.254 6.759 -3.713 1.00 25.00 H new ATOM 0 HB2 LYS B 29 11.590 4.092 -5.118 1.00 25.00 H new ATOM 0 HB3 LYS B 29 12.045 4.427 -3.459 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.549 5.098 -3.121 1.00 25.00 H new ATOM 0 HG3 LYS B 29 9.265 4.283 -4.646 1.00 25.00 H new ATOM 0 HD2 LYS B 29 10.556 3.004 -2.185 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.886 2.788 -2.669 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.746 0.884 -3.635 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.029 1.981 -4.972 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 11.975 0.525 -4.273 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 12.318 2.182 -4.414 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 12.106 1.487 -2.880 1.00 25.00 H new ATOM 780 N THR B 30 13.437 7.636 -4.806 1.00 25.00 N ATOM 781 CA THR B 30 14.812 7.993 -5.145 1.00 25.00 C ATOM 782 C THR B 30 15.780 7.589 -4.035 1.00 25.00 C ATOM 783 O THR B 30 16.208 8.333 -3.179 1.00 25.00 O ATOM 784 CB THR B 30 14.898 9.501 -5.446 1.00 25.00 C ATOM 785 OG1 THR B 30 13.935 10.156 -4.628 1.00 25.00 O ATOM 786 CG2 THR B 30 14.523 9.776 -6.910 1.00 25.00 C ATOM 787 OXT THR B 30 16.046 6.314 -4.048 1.00 25.00 O ATOM 0 H THR B 30 12.890 8.403 -4.414 1.00 25.00 H new ATOM 0 HA THR B 30 15.107 7.443 -6.039 1.00 25.00 H new ATOM 0 HB THR B 30 15.912 9.854 -5.256 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.966 11.121 -4.795 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.588 10.846 -7.108 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.210 9.243 -7.568 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.505 9.435 -7.095 1.00 25.00 H new TER 796 THR B 30