USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.00439 USER MOD Set 1.2: B 3 ASN :FLIP amide:sc= -1.96 F(o=-4.1,f=-2) USER MOD Set 2.1: A 8 THR OG1 : rot -71:sc= 0.898 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.13) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.29) USER MOD Single : A 18 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.049) USER MOD Single : A 19 TYR OH : rot 134:sc= -1.51! USER MOD Single : A 21 ASN : amide:sc= -6.87! C(o=-6.9!,f=-17!) USER MOD Single : B 1 PHE N :NH3+ 159:sc= 0.00172 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -2.21! C(o=-2.2!,f=-4.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.11 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.0721 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.421 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.815 3.669 3.975 1.00 0.00 N ATOM 2 CA GLY A 1 -8.488 4.416 4.092 1.00 0.00 C ATOM 3 C GLY A 1 -7.207 3.663 3.950 1.00 0.00 C ATOM 4 O GLY A 1 -6.228 3.958 4.604 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.602 4.338 4.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.882 3.225 3.037 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.866 2.935 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.489 5.204 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.473 4.906 5.066 1.00 0.00 H new ATOM 10 N ILE A 2 -7.179 2.672 3.098 1.00 0.00 N ATOM 11 CA ILE A 2 -5.936 1.878 2.913 1.00 0.00 C ATOM 12 C ILE A 2 -4.984 2.625 1.982 1.00 0.00 C ATOM 13 O ILE A 2 -3.781 2.589 2.136 1.00 0.00 O ATOM 14 CB ILE A 2 -6.300 0.534 2.293 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.368 -0.142 3.152 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.058 -0.349 2.227 1.00 0.00 C ATOM 17 CD1 ILE A 2 -6.919 -0.142 4.614 1.00 0.00 C ATOM 0 H ILE A 2 -7.968 2.380 2.522 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.449 1.725 3.876 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.686 0.686 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.318 0.384 3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.532 -1.164 2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.318 -1.310 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.297 0.138 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.670 -0.507 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.680 -0.624 5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.980 -0.687 4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.777 0.885 4.951 1.00 0.00 H new ATOM 29 N VAL A 3 -5.527 3.300 1.017 1.00 0.00 N ATOM 30 CA VAL A 3 -4.681 4.061 0.055 1.00 0.00 C ATOM 31 C VAL A 3 -4.386 5.450 0.639 1.00 0.00 C ATOM 32 O VAL A 3 -3.258 5.883 0.724 1.00 0.00 O ATOM 33 CB VAL A 3 -5.450 4.181 -1.284 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.907 5.622 -1.552 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.545 3.738 -2.426 1.00 0.00 C ATOM 0 H VAL A 3 -6.531 3.361 0.848 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.735 3.549 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.333 3.546 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.442 5.663 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.566 5.950 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.037 6.277 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.083 3.821 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.660 4.373 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.243 2.702 -2.270 1.00 0.00 H new ATOM 45 N GLU A 4 -5.420 6.146 1.015 1.00 0.00 N ATOM 46 CA GLU A 4 -5.272 7.525 1.575 1.00 0.00 C ATOM 47 C GLU A 4 -4.017 7.640 2.433 1.00 0.00 C ATOM 48 O GLU A 4 -3.379 8.673 2.482 1.00 0.00 O ATOM 49 CB GLU A 4 -6.490 7.855 2.439 1.00 0.00 C ATOM 50 CG GLU A 4 -7.758 7.778 1.589 1.00 0.00 C ATOM 51 CD GLU A 4 -8.464 9.135 1.606 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.714 9.638 2.688 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.742 9.649 0.534 1.00 0.00 O ATOM 0 H GLU A 4 -6.383 5.814 0.958 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.192 8.223 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.556 7.157 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.386 8.853 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.507 7.499 0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.422 7.005 1.976 1.00 0.00 H new ATOM 60 N GLN A 5 -3.670 6.604 3.125 1.00 0.00 N ATOM 61 CA GLN A 5 -2.467 6.669 4.000 1.00 0.00 C ATOM 62 C GLN A 5 -1.193 6.634 3.156 1.00 0.00 C ATOM 63 O GLN A 5 -0.307 7.449 3.324 1.00 0.00 O ATOM 64 CB GLN A 5 -2.477 5.482 4.962 1.00 0.00 C ATOM 65 CG GLN A 5 -3.756 5.513 5.799 1.00 0.00 C ATOM 66 CD GLN A 5 -3.473 4.943 7.188 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.621 5.439 7.899 1.00 0.00 O ATOM 68 NE2 GLN A 5 -4.155 3.912 7.610 1.00 0.00 N ATOM 0 H GLN A 5 -4.163 5.711 3.127 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.488 7.601 4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.418 4.548 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.603 5.520 5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.123 6.536 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.538 4.933 5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.870 3.495 7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.972 3.524 8.535 1.00 0.00 H new ATOM 77 N CYS A 6 -1.081 5.695 2.260 1.00 0.00 N ATOM 78 CA CYS A 6 0.151 5.616 1.425 1.00 0.00 C ATOM 79 C CYS A 6 -0.023 6.458 0.164 1.00 0.00 C ATOM 80 O CYS A 6 0.931 6.811 -0.500 1.00 0.00 O ATOM 81 CB CYS A 6 0.406 4.162 1.023 1.00 0.00 C ATOM 82 SG CYS A 6 0.897 3.215 2.481 1.00 0.00 S ATOM 0 H CYS A 6 -1.785 4.982 2.069 1.00 0.00 H new ATOM 0 HA CYS A 6 0.995 5.993 2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.493 3.732 0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.187 4.114 0.264 1.00 0.00 H new ATOM 87 N CYS A 7 -1.232 6.771 -0.174 1.00 0.00 N ATOM 88 CA CYS A 7 -1.482 7.574 -1.400 1.00 0.00 C ATOM 89 C CYS A 7 -1.185 9.047 -1.128 1.00 0.00 C ATOM 90 O CYS A 7 -0.171 9.571 -1.543 1.00 0.00 O ATOM 91 CB CYS A 7 -2.944 7.387 -1.815 1.00 0.00 C ATOM 92 SG CYS A 7 -3.412 8.652 -3.021 1.00 0.00 S ATOM 0 H CYS A 7 -2.068 6.505 0.347 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.829 7.241 -2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.085 6.395 -2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.590 7.451 -0.939 1.00 0.00 H new ATOM 97 N THR A 8 -2.059 9.718 -0.442 1.00 0.00 N ATOM 98 CA THR A 8 -1.814 11.157 -0.158 1.00 0.00 C ATOM 99 C THR A 8 -0.467 11.305 0.542 1.00 0.00 C ATOM 100 O THR A 8 0.552 11.510 -0.089 1.00 0.00 O ATOM 101 CB THR A 8 -2.933 11.704 0.730 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.045 10.907 1.901 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.250 11.666 -0.046 1.00 0.00 C ATOM 0 H THR A 8 -2.928 9.338 -0.067 1.00 0.00 H new ATOM 0 HA THR A 8 -1.800 11.721 -1.091 1.00 0.00 H new ATOM 0 HB THR A 8 -2.706 12.731 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.422 10.033 1.667 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.053 12.054 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.161 12.278 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.476 10.638 -0.329 1.00 0.00 H new ATOM 111 N SER A 9 -0.449 11.194 1.833 1.00 0.00 N ATOM 112 CA SER A 9 0.840 11.319 2.567 1.00 0.00 C ATOM 113 C SER A 9 1.883 10.417 1.903 1.00 0.00 C ATOM 114 O SER A 9 1.575 9.653 1.008 1.00 0.00 O ATOM 115 CB SER A 9 0.650 10.888 4.021 1.00 0.00 C ATOM 116 OG SER A 9 -0.638 11.293 4.468 1.00 0.00 O ATOM 0 H SER A 9 -1.268 11.022 2.416 1.00 0.00 H new ATOM 0 HA SER A 9 1.175 12.356 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.754 9.806 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.422 11.334 4.648 1.00 0.00 H new ATOM 0 HG SER A 9 -0.763 11.016 5.400 1.00 0.00 H new ATOM 122 N ILE A 10 3.112 10.494 2.331 1.00 0.00 N ATOM 123 CA ILE A 10 4.167 9.635 1.724 1.00 0.00 C ATOM 124 C ILE A 10 4.192 8.285 2.444 1.00 0.00 C ATOM 125 O ILE A 10 4.026 8.214 3.646 1.00 0.00 O ATOM 126 CB ILE A 10 5.526 10.320 1.876 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.374 11.822 1.620 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.507 9.726 0.868 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.568 12.041 0.340 1.00 0.00 C ATOM 0 H ILE A 10 3.432 11.114 3.075 1.00 0.00 H new ATOM 0 HA ILE A 10 3.954 9.481 0.666 1.00 0.00 H new ATOM 0 HB ILE A 10 5.903 10.163 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.873 12.297 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.355 12.287 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.477 10.212 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.615 8.657 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.130 9.884 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.459 13.110 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.087 11.580 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.582 11.589 0.449 1.00 0.00 H new ATOM 141 N CYS A 11 4.388 7.208 1.730 1.00 0.00 N ATOM 142 CA CYS A 11 4.407 5.877 2.407 1.00 0.00 C ATOM 143 C CYS A 11 5.716 5.140 2.135 1.00 0.00 C ATOM 144 O CYS A 11 6.311 5.264 1.082 1.00 0.00 O ATOM 145 CB CYS A 11 3.256 5.011 1.896 1.00 0.00 C ATOM 146 SG CYS A 11 2.344 4.347 3.313 1.00 0.00 S ATOM 0 H CYS A 11 4.534 7.190 0.721 1.00 0.00 H new ATOM 0 HA CYS A 11 4.305 6.052 3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.592 5.601 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.641 4.197 1.281 1.00 0.00 H new ATOM 151 N SER A 12 6.146 4.344 3.076 1.00 0.00 N ATOM 152 CA SER A 12 7.390 3.554 2.884 1.00 0.00 C ATOM 153 C SER A 12 6.985 2.133 2.490 1.00 0.00 C ATOM 154 O SER A 12 6.148 1.522 3.119 1.00 0.00 O ATOM 155 CB SER A 12 8.190 3.519 4.187 1.00 0.00 C ATOM 156 OG SER A 12 7.639 4.456 5.103 1.00 0.00 O ATOM 0 H SER A 12 5.684 4.208 3.975 1.00 0.00 H new ATOM 0 HA SER A 12 8.010 4.004 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.165 2.517 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.236 3.756 3.991 1.00 0.00 H new ATOM 0 HG SER A 12 8.149 4.434 5.940 1.00 0.00 H new ATOM 162 N LEU A 13 7.553 1.608 1.446 1.00 0.00 N ATOM 163 CA LEU A 13 7.176 0.234 1.007 1.00 0.00 C ATOM 164 C LEU A 13 7.111 -0.699 2.205 1.00 0.00 C ATOM 165 O LEU A 13 6.341 -1.639 2.236 1.00 0.00 O ATOM 166 CB LEU A 13 8.205 -0.268 0.004 1.00 0.00 C ATOM 167 CG LEU A 13 7.807 0.230 -1.379 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.527 1.734 -1.315 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.937 -0.045 -2.373 1.00 0.00 C ATOM 0 H LEU A 13 8.262 2.068 0.875 1.00 0.00 H new ATOM 0 HA LEU A 13 6.193 0.258 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.199 0.094 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.249 -1.357 0.017 1.00 0.00 H new ATOM 0 HG LEU A 13 6.909 -0.293 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.242 2.093 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.716 1.923 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.424 2.257 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.648 0.313 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.840 0.473 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.130 -1.117 -2.418 1.00 0.00 H new ATOM 181 N TYR A 14 7.897 -0.441 3.197 1.00 0.00 N ATOM 182 CA TYR A 14 7.859 -1.313 4.405 1.00 0.00 C ATOM 183 C TYR A 14 6.564 -1.025 5.163 1.00 0.00 C ATOM 184 O TYR A 14 5.966 -1.906 5.751 1.00 0.00 O ATOM 185 CB TYR A 14 9.062 -1.062 5.335 1.00 0.00 C ATOM 186 CG TYR A 14 9.952 0.039 4.806 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.773 -0.196 3.695 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.960 1.294 5.430 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.602 0.825 3.208 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.790 2.313 4.944 1.00 0.00 C ATOM 191 CZ TYR A 14 11.611 2.078 3.832 1.00 0.00 C ATOM 192 OH TYR A 14 12.429 3.081 3.355 1.00 0.00 O ATOM 0 H TYR A 14 8.564 0.330 3.232 1.00 0.00 H new ATOM 0 HA TYR A 14 7.905 -2.354 4.084 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.705 -0.796 6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.640 -1.980 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.767 -1.163 3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.326 1.476 6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.234 0.644 2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.797 3.279 5.426 1.00 0.00 H new ATOM 0 HH TYR A 14 12.312 3.886 3.902 1.00 0.00 H new ATOM 202 N GLN A 15 6.108 0.197 5.128 1.00 0.00 N ATOM 203 CA GLN A 15 4.838 0.530 5.830 1.00 0.00 C ATOM 204 C GLN A 15 3.679 0.130 4.931 1.00 0.00 C ATOM 205 O GLN A 15 2.579 -0.123 5.380 1.00 0.00 O ATOM 206 CB GLN A 15 4.775 2.033 6.116 1.00 0.00 C ATOM 207 CG GLN A 15 5.901 2.421 7.077 1.00 0.00 C ATOM 208 CD GLN A 15 5.710 1.693 8.407 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.610 1.032 8.888 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.566 1.785 9.028 1.00 0.00 N ATOM 0 H GLN A 15 6.558 0.975 4.646 1.00 0.00 H new ATOM 0 HA GLN A 15 4.784 -0.005 6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.867 2.594 5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.809 2.291 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.868 2.163 6.645 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.901 3.499 7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.810 2.339 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.428 1.303 9.916 1.00 0.00 H new ATOM 219 N LEU A 16 3.930 0.059 3.657 1.00 0.00 N ATOM 220 CA LEU A 16 2.863 -0.340 2.708 1.00 0.00 C ATOM 221 C LEU A 16 2.636 -1.846 2.831 1.00 0.00 C ATOM 222 O LEU A 16 1.619 -2.369 2.419 1.00 0.00 O ATOM 223 CB LEU A 16 3.300 -0.006 1.282 1.00 0.00 C ATOM 224 CG LEU A 16 2.157 -0.335 0.321 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.124 0.792 0.339 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.705 -0.499 -1.098 1.00 0.00 C ATOM 0 H LEU A 16 4.834 0.262 3.231 1.00 0.00 H new ATOM 0 HA LEU A 16 1.941 0.195 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.564 1.049 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.190 -0.577 1.018 1.00 0.00 H new ATOM 0 HG LEU A 16 1.684 -1.265 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.312 0.552 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.726 0.904 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.597 1.724 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.887 -0.733 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.185 0.428 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.434 -1.309 -1.115 1.00 0.00 H new ATOM 238 N GLU A 17 3.581 -2.548 3.396 1.00 0.00 N ATOM 239 CA GLU A 17 3.425 -4.023 3.547 1.00 0.00 C ATOM 240 C GLU A 17 2.346 -4.315 4.590 1.00 0.00 C ATOM 241 O GLU A 17 1.850 -5.420 4.696 1.00 0.00 O ATOM 242 CB GLU A 17 4.753 -4.634 4.002 1.00 0.00 C ATOM 243 CG GLU A 17 4.934 -6.010 3.358 1.00 0.00 C ATOM 244 CD GLU A 17 5.928 -6.833 4.180 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.119 -6.619 4.020 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.483 -7.663 4.955 1.00 0.00 O ATOM 0 H GLU A 17 4.453 -2.164 3.759 1.00 0.00 H new ATOM 0 HA GLU A 17 3.135 -4.458 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.580 -3.980 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.770 -4.725 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.976 -6.526 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.295 -5.900 2.335 1.00 0.00 H new ATOM 253 N ASN A 18 1.978 -3.330 5.364 1.00 0.00 N ATOM 254 CA ASN A 18 0.935 -3.546 6.405 1.00 0.00 C ATOM 255 C ASN A 18 -0.454 -3.557 5.762 1.00 0.00 C ATOM 256 O ASN A 18 -1.459 -3.618 6.442 1.00 0.00 O ATOM 257 CB ASN A 18 1.009 -2.424 7.441 1.00 0.00 C ATOM 258 CG ASN A 18 1.571 -2.982 8.749 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.518 -2.451 9.292 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.024 -4.043 9.278 1.00 0.00 N ATOM 0 H ASN A 18 2.356 -2.384 5.319 1.00 0.00 H new ATOM 0 HA ASN A 18 1.110 -4.506 6.891 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.642 -1.616 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.018 -2.001 7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.392 -4.427 10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.228 -4.488 8.821 1.00 0.00 H new ATOM 267 N TYR A 19 -0.522 -3.506 4.460 1.00 0.00 N ATOM 268 CA TYR A 19 -1.849 -3.523 3.786 1.00 0.00 C ATOM 269 C TYR A 19 -2.094 -4.921 3.222 1.00 0.00 C ATOM 270 O TYR A 19 -3.212 -5.306 2.942 1.00 0.00 O ATOM 271 CB TYR A 19 -1.856 -2.508 2.640 1.00 0.00 C ATOM 272 CG TYR A 19 -1.735 -1.089 3.188 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.697 -0.855 4.577 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.657 0.002 2.303 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.580 0.452 5.066 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.542 1.307 2.800 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.503 1.530 4.180 1.00 0.00 C ATOM 278 OH TYR A 19 -1.382 2.812 4.671 1.00 0.00 O ATOM 0 H TYR A 19 0.283 -3.453 3.836 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.630 -3.264 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.031 -2.713 1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.777 -2.606 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.758 -1.685 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.686 -0.167 1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.549 0.627 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.483 2.141 2.117 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.685 3.289 4.173 1.00 0.00 H new ATOM 288 N CYS A 20 -1.049 -5.682 3.055 1.00 0.00 N ATOM 289 CA CYS A 20 -1.207 -7.058 2.506 1.00 0.00 C ATOM 290 C CYS A 20 -2.301 -7.792 3.279 1.00 0.00 C ATOM 291 O CYS A 20 -2.885 -7.261 4.202 1.00 0.00 O ATOM 292 CB CYS A 20 0.111 -7.822 2.636 1.00 0.00 C ATOM 293 SG CYS A 20 1.471 -6.783 2.059 1.00 0.00 S ATOM 0 H CYS A 20 -0.091 -5.410 3.275 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.483 -6.996 1.453 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.275 -8.110 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.069 -8.742 2.052 1.00 0.00 H new ATOM 298 N ASN A 21 -2.586 -9.011 2.911 1.00 0.00 N ATOM 299 CA ASN A 21 -3.644 -9.775 3.630 1.00 0.00 C ATOM 300 C ASN A 21 -3.249 -9.924 5.100 1.00 0.00 C ATOM 301 O ASN A 21 -4.205 -10.386 5.735 1.00 0.00 O ATOM 302 CB ASN A 21 -3.791 -11.159 2.998 1.00 0.00 C ATOM 303 CG ASN A 21 -4.257 -11.012 1.549 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.227 -9.929 0.997 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.689 -12.060 0.904 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.111 -9.646 5.547 1.00 0.00 O ATOM 0 H ASN A 21 -2.133 -9.510 2.145 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.592 -9.242 3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.839 -11.689 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.508 -11.754 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.001 -11.971 -0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.714 -12.969 1.366 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.494 3.637 -6.561 1.00 0.00 N ATOM 315 CA PHE B 1 12.218 3.972 -5.868 1.00 0.00 C ATOM 316 C PHE B 1 12.529 4.590 -4.506 1.00 0.00 C ATOM 317 O PHE B 1 13.408 4.145 -3.795 1.00 0.00 O ATOM 318 CB PHE B 1 11.388 2.701 -5.670 1.00 0.00 C ATOM 319 CG PHE B 1 9.936 3.069 -5.479 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.541 3.780 -4.338 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.984 2.698 -6.438 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.194 4.121 -4.155 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.636 3.039 -6.256 1.00 0.00 C ATOM 324 CZ PHE B 1 7.242 3.751 -5.114 1.00 0.00 C ATOM 0 H1 PHE B 1 13.314 2.919 -7.292 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.883 4.493 -7.005 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.177 3.264 -5.870 1.00 0.00 H new ATOM 0 HA PHE B 1 11.654 4.681 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.497 2.045 -6.534 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.751 2.149 -4.803 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.275 4.065 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.288 2.150 -7.317 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.890 4.669 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.902 2.753 -6.995 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.204 4.014 -4.974 1.00 0.00 H new ATOM 336 N VAL B 2 11.810 5.611 -4.137 1.00 0.00 N ATOM 337 CA VAL B 2 12.054 6.261 -2.822 1.00 0.00 C ATOM 338 C VAL B 2 10.731 6.425 -2.097 1.00 0.00 C ATOM 339 O VAL B 2 9.738 5.816 -2.442 1.00 0.00 O ATOM 340 CB VAL B 2 12.687 7.638 -3.036 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.747 7.535 -4.117 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.622 8.639 -3.488 1.00 0.00 C ATOM 0 H VAL B 2 11.061 6.025 -4.692 1.00 0.00 H new ATOM 0 HA VAL B 2 12.728 5.643 -2.230 1.00 0.00 H new ATOM 0 HB VAL B 2 13.131 7.976 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.202 8.513 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.513 6.824 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.288 7.195 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.081 9.616 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.177 8.300 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.847 8.715 -2.725 1.00 0.00 H new ATOM 352 N ASN B 3 10.704 7.258 -1.107 1.00 0.00 N ATOM 353 CA ASN B 3 9.436 7.475 -0.375 1.00 0.00 C ATOM 354 C ASN B 3 8.529 8.368 -1.218 1.00 0.00 C ATOM 355 O ASN B 3 8.313 9.521 -0.906 1.00 0.00 O ATOM 356 CB ASN B 3 9.718 8.154 0.962 1.00 0.00 C ATOM 357 CG ASN B 3 8.824 7.544 2.045 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.675 6.249 2.097 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 8.255 8.255 2.851 1.00 0.00 N flip ATOM 0 H ASN B 3 11.502 7.798 -0.772 1.00 0.00 H new ATOM 0 HA ASN B 3 8.951 6.517 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.767 8.031 1.230 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.533 9.225 0.884 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.372 9.267 2.810 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.661 7.839 3.568 1.00 0.00 H new ATOM 366 N GLN B 4 7.999 7.850 -2.289 1.00 0.00 N ATOM 367 CA GLN B 4 7.105 8.680 -3.145 1.00 0.00 C ATOM 368 C GLN B 4 5.650 8.429 -2.729 1.00 0.00 C ATOM 369 O GLN B 4 5.377 7.575 -1.910 1.00 0.00 O ATOM 370 CB GLN B 4 7.324 8.326 -4.628 1.00 0.00 C ATOM 371 CG GLN B 4 6.476 7.119 -5.057 1.00 0.00 C ATOM 372 CD GLN B 4 5.610 7.519 -6.254 1.00 0.00 C ATOM 373 OE1 GLN B 4 4.552 8.093 -6.091 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.020 7.241 -7.461 1.00 0.00 N ATOM 0 H GLN B 4 8.144 6.892 -2.609 1.00 0.00 H new ATOM 0 HA GLN B 4 7.335 9.738 -3.015 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.072 9.186 -5.248 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.378 8.108 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.121 6.281 -5.322 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.847 6.788 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.908 6.759 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.452 7.506 -8.266 1.00 0.00 H new ATOM 383 N ALA B 5 4.708 9.144 -3.283 1.00 0.00 N ATOM 384 CA ALA B 5 3.290 8.897 -2.893 1.00 0.00 C ATOM 385 C ALA B 5 2.854 7.545 -3.455 1.00 0.00 C ATOM 386 O ALA B 5 3.487 6.998 -4.335 1.00 0.00 O ATOM 387 CB ALA B 5 2.387 10.000 -3.441 1.00 0.00 C ATOM 0 H ALA B 5 4.855 9.877 -3.977 1.00 0.00 H new ATOM 0 HA ALA B 5 3.208 8.894 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.355 9.805 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.703 10.962 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA B 5 2.457 10.021 -4.529 1.00 0.00 H new ATOM 393 N LEU B 6 1.793 6.988 -2.944 1.00 0.00 N ATOM 394 CA LEU B 6 1.344 5.659 -3.443 1.00 0.00 C ATOM 395 C LEU B 6 -0.148 5.702 -3.799 1.00 0.00 C ATOM 396 O LEU B 6 -0.991 5.307 -3.019 1.00 0.00 O ATOM 397 CB LEU B 6 1.584 4.620 -2.341 1.00 0.00 C ATOM 398 CG LEU B 6 2.859 3.819 -2.629 1.00 0.00 C ATOM 399 CD1 LEU B 6 2.534 2.699 -3.603 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.939 4.719 -3.237 1.00 0.00 C ATOM 0 H LEU B 6 1.219 7.393 -2.205 1.00 0.00 H new ATOM 0 HA LEU B 6 1.905 5.394 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.670 5.118 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.730 3.946 -2.276 1.00 0.00 H new ATOM 0 HG LEU B 6 3.234 3.408 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.437 2.125 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.781 2.044 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.151 3.124 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.835 4.130 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.573 5.146 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.178 5.522 -2.540 1.00 0.00 H new ATOM 412 N CYS B 7 -0.482 6.179 -4.971 1.00 0.00 N ATOM 413 CA CYS B 7 -1.919 6.243 -5.369 1.00 0.00 C ATOM 414 C CYS B 7 -2.150 5.409 -6.634 1.00 0.00 C ATOM 415 O CYS B 7 -1.222 5.001 -7.304 1.00 0.00 O ATOM 416 CB CYS B 7 -2.306 7.694 -5.658 1.00 0.00 C ATOM 417 SG CYS B 7 -1.826 8.743 -4.266 1.00 0.00 S ATOM 0 H CYS B 7 0.177 6.526 -5.668 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.528 5.849 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.816 8.036 -6.569 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.380 7.767 -5.827 1.00 0.00 H new ATOM 422 N GLY B 8 -3.390 5.167 -6.970 1.00 0.00 N ATOM 423 CA GLY B 8 -3.704 4.377 -8.197 1.00 0.00 C ATOM 424 C GLY B 8 -2.907 3.072 -8.210 1.00 0.00 C ATOM 425 O GLY B 8 -2.586 2.515 -7.179 1.00 0.00 O ATOM 0 H GLY B 8 -4.204 5.485 -6.444 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.771 4.159 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.468 4.963 -9.085 1.00 0.00 H new ATOM 429 N SER B 9 -2.597 2.574 -9.379 1.00 0.00 N ATOM 430 CA SER B 9 -1.833 1.298 -9.475 1.00 0.00 C ATOM 431 C SER B 9 -0.530 1.413 -8.682 1.00 0.00 C ATOM 432 O SER B 9 -0.069 0.461 -8.101 1.00 0.00 O ATOM 433 CB SER B 9 -1.519 0.995 -10.944 1.00 0.00 C ATOM 434 OG SER B 9 -1.788 2.149 -11.730 1.00 0.00 O ATOM 0 H SER B 9 -2.842 2.999 -10.273 1.00 0.00 H new ATOM 0 HA SER B 9 -2.433 0.488 -9.060 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.474 0.703 -11.052 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.122 0.156 -11.291 1.00 0.00 H new ATOM 0 HG SER B 9 -1.586 1.959 -12.670 1.00 0.00 H new ATOM 440 N ASP B 10 0.063 2.568 -8.641 1.00 0.00 N ATOM 441 CA ASP B 10 1.332 2.716 -7.865 1.00 0.00 C ATOM 442 C ASP B 10 1.145 2.060 -6.494 1.00 0.00 C ATOM 443 O ASP B 10 2.023 1.398 -5.979 1.00 0.00 O ATOM 444 CB ASP B 10 1.663 4.199 -7.693 1.00 0.00 C ATOM 445 CG ASP B 10 1.888 4.835 -9.065 1.00 0.00 C ATOM 446 OD1 ASP B 10 0.917 5.008 -9.783 1.00 0.00 O ATOM 447 OD2 ASP B 10 3.029 5.140 -9.373 1.00 0.00 O ATOM 0 H ASP B 10 -0.268 3.414 -9.105 1.00 0.00 H new ATOM 0 HA ASP B 10 2.153 2.235 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.849 4.706 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.555 4.314 -7.077 1.00 0.00 H new ATOM 452 N LEU B 11 -0.014 2.224 -5.922 1.00 0.00 N ATOM 453 CA LEU B 11 -0.314 1.603 -4.599 1.00 0.00 C ATOM 454 C LEU B 11 -0.341 0.089 -4.779 1.00 0.00 C ATOM 455 O LEU B 11 0.564 -0.615 -4.376 1.00 0.00 O ATOM 456 CB LEU B 11 -1.684 2.123 -4.152 1.00 0.00 C ATOM 457 CG LEU B 11 -2.080 1.685 -2.729 1.00 0.00 C ATOM 458 CD1 LEU B 11 -1.336 0.463 -2.273 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.787 2.795 -1.734 1.00 0.00 C ATOM 0 H LEU B 11 -0.778 2.770 -6.320 1.00 0.00 H new ATOM 0 HA LEU B 11 0.435 1.853 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.682 3.212 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.442 1.774 -4.854 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.145 1.458 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.654 0.199 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.548 -0.365 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.265 0.667 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.072 2.471 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.722 3.027 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.356 3.685 -2.003 1.00 0.00 H new ATOM 471 N VAL B 12 -1.368 -0.412 -5.393 1.00 0.00 N ATOM 472 CA VAL B 12 -1.456 -1.878 -5.617 1.00 0.00 C ATOM 473 C VAL B 12 -0.135 -2.362 -6.209 1.00 0.00 C ATOM 474 O VAL B 12 0.378 -3.388 -5.836 1.00 0.00 O ATOM 475 CB VAL B 12 -2.595 -2.183 -6.593 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.878 -1.478 -6.141 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.203 -1.703 -7.987 1.00 0.00 C ATOM 0 H VAL B 12 -2.154 0.130 -5.751 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.651 -2.386 -4.673 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.776 -3.258 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.682 -1.701 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.155 -1.829 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.711 -0.401 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.011 -1.918 -8.686 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.019 -0.629 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.298 -2.219 -8.308 1.00 0.00 H new ATOM 487 N GLU B 13 0.419 -1.618 -7.127 1.00 0.00 N ATOM 488 CA GLU B 13 1.712 -2.020 -7.747 1.00 0.00 C ATOM 489 C GLU B 13 2.791 -2.080 -6.669 1.00 0.00 C ATOM 490 O GLU B 13 3.723 -2.855 -6.755 1.00 0.00 O ATOM 491 CB GLU B 13 2.112 -0.994 -8.809 1.00 0.00 C ATOM 492 CG GLU B 13 1.283 -1.219 -10.077 1.00 0.00 C ATOM 493 CD GLU B 13 1.956 -0.512 -11.255 1.00 0.00 C ATOM 494 OE1 GLU B 13 3.174 -0.552 -11.327 1.00 0.00 O ATOM 495 OE2 GLU B 13 1.242 0.059 -12.064 1.00 0.00 O ATOM 0 H GLU B 13 0.028 -0.743 -7.476 1.00 0.00 H new ATOM 0 HA GLU B 13 1.603 -3.000 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.952 0.016 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.174 -1.085 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.193 -2.286 -10.282 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.272 -0.835 -9.937 1.00 0.00 H new ATOM 502 N ALA B 14 2.669 -1.281 -5.643 1.00 0.00 N ATOM 503 CA ALA B 14 3.690 -1.325 -4.561 1.00 0.00 C ATOM 504 C ALA B 14 3.283 -2.420 -3.591 1.00 0.00 C ATOM 505 O ALA B 14 4.105 -3.087 -2.998 1.00 0.00 O ATOM 506 CB ALA B 14 3.739 0.015 -3.837 1.00 0.00 C ATOM 0 H ALA B 14 1.915 -0.607 -5.509 1.00 0.00 H new ATOM 0 HA ALA B 14 4.678 -1.526 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.489 -0.026 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.000 0.802 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.763 0.229 -3.401 1.00 0.00 H new ATOM 512 N LEU B 15 2.006 -2.620 -3.461 1.00 0.00 N ATOM 513 CA LEU B 15 1.492 -3.689 -2.569 1.00 0.00 C ATOM 514 C LEU B 15 1.744 -5.025 -3.260 1.00 0.00 C ATOM 515 O LEU B 15 2.301 -5.955 -2.711 1.00 0.00 O ATOM 516 CB LEU B 15 -0.007 -3.515 -2.408 1.00 0.00 C ATOM 517 CG LEU B 15 -0.313 -2.418 -1.412 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.813 -2.202 -1.412 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.127 -2.848 -0.020 1.00 0.00 C ATOM 0 H LEU B 15 1.286 -2.080 -3.942 1.00 0.00 H new ATOM 0 HA LEU B 15 1.981 -3.647 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.456 -3.274 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.453 -4.452 -2.074 1.00 0.00 H new ATOM 0 HG LEU B 15 0.214 -1.503 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.067 -1.415 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.138 -1.909 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.314 -3.126 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.096 -2.054 0.693 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.407 -3.754 0.267 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.199 -3.044 -0.022 1.00 0.00 H new ATOM 531 N TYR B 16 1.327 -5.096 -4.486 1.00 0.00 N ATOM 532 CA TYR B 16 1.513 -6.323 -5.302 1.00 0.00 C ATOM 533 C TYR B 16 2.969 -6.727 -5.281 1.00 0.00 C ATOM 534 O TYR B 16 3.311 -7.889 -5.384 1.00 0.00 O ATOM 535 CB TYR B 16 1.168 -5.991 -6.747 1.00 0.00 C ATOM 536 CG TYR B 16 -0.183 -6.502 -7.118 1.00 0.00 C ATOM 537 CD1 TYR B 16 -0.610 -7.760 -6.692 1.00 0.00 C ATOM 538 CD2 TYR B 16 -1.005 -5.702 -7.910 1.00 0.00 C ATOM 539 CE1 TYR B 16 -1.882 -8.222 -7.068 1.00 0.00 C ATOM 540 CE2 TYR B 16 -2.272 -6.154 -8.287 1.00 0.00 C ATOM 541 CZ TYR B 16 -2.715 -7.417 -7.866 1.00 0.00 C ATOM 542 OH TYR B 16 -3.965 -7.869 -8.237 1.00 0.00 O ATOM 0 H TYR B 16 0.852 -4.335 -4.971 1.00 0.00 H new ATOM 0 HA TYR B 16 0.885 -7.121 -4.906 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.202 -4.911 -6.891 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.917 -6.425 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.032 -8.374 -6.078 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.662 -4.730 -8.233 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.220 -9.195 -6.744 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.908 -5.533 -8.900 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.409 -7.189 -8.786 1.00 0.00 H new ATOM 552 N LEU B 17 3.832 -5.768 -5.202 1.00 0.00 N ATOM 553 CA LEU B 17 5.269 -6.095 -5.235 1.00 0.00 C ATOM 554 C LEU B 17 5.793 -6.374 -3.830 1.00 0.00 C ATOM 555 O LEU B 17 6.506 -7.331 -3.603 1.00 0.00 O ATOM 556 CB LEU B 17 6.046 -4.933 -5.854 1.00 0.00 C ATOM 557 CG LEU B 17 6.650 -5.382 -7.184 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.555 -6.001 -8.054 1.00 0.00 C ATOM 559 CD2 LEU B 17 7.252 -4.172 -7.901 1.00 0.00 C ATOM 0 H LEU B 17 3.606 -4.777 -5.116 1.00 0.00 H new ATOM 0 HA LEU B 17 5.407 -6.992 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.385 -4.081 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.834 -4.605 -5.176 1.00 0.00 H new ATOM 0 HG LEU B 17 7.430 -6.121 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.983 -6.322 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.125 -6.861 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.776 -5.262 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.684 -4.489 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.472 -3.433 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.030 -3.730 -7.278 1.00 0.00 H new ATOM 571 N VAL B 18 5.449 -5.553 -2.886 1.00 0.00 N ATOM 572 CA VAL B 18 5.936 -5.784 -1.497 1.00 0.00 C ATOM 573 C VAL B 18 5.512 -7.182 -1.068 1.00 0.00 C ATOM 574 O VAL B 18 6.310 -7.975 -0.609 1.00 0.00 O ATOM 575 CB VAL B 18 5.332 -4.744 -0.546 1.00 0.00 C ATOM 576 CG1 VAL B 18 5.957 -3.375 -0.821 1.00 0.00 C ATOM 577 CG2 VAL B 18 3.824 -4.663 -0.757 1.00 0.00 C ATOM 0 H VAL B 18 4.854 -4.734 -3.011 1.00 0.00 H new ATOM 0 HA VAL B 18 7.022 -5.692 -1.464 1.00 0.00 H new ATOM 0 HB VAL B 18 5.536 -5.040 0.483 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.527 -2.636 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.034 -3.428 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.756 -3.084 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.401 -3.922 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.616 -4.372 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.376 -5.636 -0.557 1.00 0.00 H new ATOM 587 N CYS B 19 4.260 -7.493 -1.229 1.00 0.00 N ATOM 588 CA CYS B 19 3.773 -8.845 -0.847 1.00 0.00 C ATOM 589 C CYS B 19 3.494 -9.660 -2.103 1.00 0.00 C ATOM 590 O CYS B 19 4.224 -10.569 -2.446 1.00 0.00 O ATOM 591 CB CYS B 19 2.497 -8.714 -0.018 1.00 0.00 C ATOM 592 SG CYS B 19 2.931 -8.105 1.629 1.00 0.00 S ATOM 0 H CYS B 19 3.550 -6.868 -1.610 1.00 0.00 H new ATOM 0 HA CYS B 19 4.534 -9.352 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.801 -8.029 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.995 -9.679 0.057 1.00 0.00 H new ATOM 597 N GLY B 20 2.435 -9.340 -2.785 1.00 0.00 N ATOM 598 CA GLY B 20 2.084 -10.090 -4.024 1.00 0.00 C ATOM 599 C GLY B 20 1.745 -11.533 -3.660 1.00 0.00 C ATOM 600 O GLY B 20 0.611 -11.958 -3.747 1.00 0.00 O ATOM 0 H GLY B 20 1.792 -8.588 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.236 -9.619 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.917 -10.066 -4.726 1.00 0.00 H new ATOM 604 N GLU B 21 2.720 -12.289 -3.239 1.00 0.00 N ATOM 605 CA GLU B 21 2.452 -13.699 -2.856 1.00 0.00 C ATOM 606 C GLU B 21 1.591 -13.719 -1.591 1.00 0.00 C ATOM 607 O GLU B 21 1.118 -14.754 -1.168 1.00 0.00 O ATOM 608 CB GLU B 21 3.777 -14.418 -2.594 1.00 0.00 C ATOM 609 CG GLU B 21 4.544 -14.565 -3.909 1.00 0.00 C ATOM 610 CD GLU B 21 4.281 -15.951 -4.501 1.00 0.00 C ATOM 611 OE1 GLU B 21 3.258 -16.529 -4.173 1.00 0.00 O ATOM 612 OE2 GLU B 21 5.107 -16.411 -5.272 1.00 0.00 O ATOM 0 H GLU B 21 3.690 -11.990 -3.144 1.00 0.00 H new ATOM 0 HA GLU B 21 1.924 -14.207 -3.663 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.372 -13.856 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.591 -15.399 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.233 -13.792 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.612 -14.428 -3.737 1.00 0.00 H new ATOM 619 N ARG B 22 1.375 -12.579 -0.986 1.00 0.00 N ATOM 620 CA ARG B 22 0.537 -12.543 0.243 1.00 0.00 C ATOM 621 C ARG B 22 -0.756 -11.785 -0.056 1.00 0.00 C ATOM 622 O ARG B 22 -1.560 -11.540 0.820 1.00 0.00 O ATOM 623 CB ARG B 22 1.295 -11.830 1.370 1.00 0.00 C ATOM 624 CG ARG B 22 2.801 -12.013 1.174 1.00 0.00 C ATOM 625 CD ARG B 22 3.473 -12.259 2.527 1.00 0.00 C ATOM 626 NE ARG B 22 4.715 -13.055 2.319 1.00 0.00 N ATOM 627 CZ ARG B 22 5.167 -13.825 3.270 1.00 0.00 C ATOM 628 NH1 ARG B 22 5.514 -13.310 4.418 1.00 0.00 N ATOM 629 NH2 ARG B 22 5.273 -15.110 3.072 1.00 0.00 N ATOM 0 H ARG B 22 1.742 -11.677 -1.290 1.00 0.00 H new ATOM 0 HA ARG B 22 0.307 -13.562 0.555 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.045 -10.769 1.375 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.993 -12.233 2.337 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.991 -12.853 0.505 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.226 -11.127 0.702 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.711 -11.309 3.006 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.793 -12.791 3.193 1.00 0.00 H new ATOM 0 HE ARG B 22 5.213 -12.998 1.431 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.432 -12.305 4.572 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.867 -13.913 5.161 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.003 -15.512 2.174 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.626 -15.713 3.815 1.00 0.00 H new ATOM 643 N GLY B 23 -0.961 -11.403 -1.289 1.00 0.00 N ATOM 644 CA GLY B 23 -2.199 -10.653 -1.631 1.00 0.00 C ATOM 645 C GLY B 23 -2.327 -9.461 -0.686 1.00 0.00 C ATOM 646 O GLY B 23 -1.521 -9.278 0.204 1.00 0.00 O ATOM 0 H GLY B 23 -0.327 -11.578 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.161 -10.312 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.070 -11.302 -1.541 1.00 0.00 H new ATOM 650 N PHE B 24 -3.330 -8.648 -0.862 1.00 0.00 N ATOM 651 CA PHE B 24 -3.485 -7.481 0.044 1.00 0.00 C ATOM 652 C PHE B 24 -4.963 -7.170 0.257 1.00 0.00 C ATOM 653 O PHE B 24 -5.828 -7.967 -0.049 1.00 0.00 O ATOM 654 CB PHE B 24 -2.759 -6.269 -0.532 1.00 0.00 C ATOM 655 CG PHE B 24 -2.804 -6.271 -2.039 1.00 0.00 C ATOM 656 CD1 PHE B 24 -4.028 -6.203 -2.719 1.00 0.00 C ATOM 657 CD2 PHE B 24 -1.606 -6.305 -2.758 1.00 0.00 C ATOM 658 CE1 PHE B 24 -4.046 -6.172 -4.123 1.00 0.00 C ATOM 659 CE2 PHE B 24 -1.626 -6.267 -4.154 1.00 0.00 C ATOM 660 CZ PHE B 24 -2.839 -6.203 -4.838 1.00 0.00 C ATOM 0 H PHE B 24 -4.042 -8.740 -1.587 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.042 -7.723 1.010 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.216 -5.355 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.722 -6.270 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.955 -6.175 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.664 -6.361 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.987 -6.124 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.698 -6.287 -4.706 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.850 -6.177 -5.918 1.00 0.00 H new ATOM 670 N PHE B 25 -5.261 -6.023 0.797 1.00 0.00 N ATOM 671 CA PHE B 25 -6.683 -5.675 1.048 1.00 0.00 C ATOM 672 C PHE B 25 -6.994 -4.310 0.443 1.00 0.00 C ATOM 673 O PHE B 25 -7.604 -3.463 1.065 1.00 0.00 O ATOM 674 CB PHE B 25 -6.949 -5.646 2.555 1.00 0.00 C ATOM 675 CG PHE B 25 -8.189 -6.456 2.862 1.00 0.00 C ATOM 676 CD1 PHE B 25 -9.449 -5.989 2.464 1.00 0.00 C ATOM 677 CD2 PHE B 25 -8.078 -7.673 3.550 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.598 -6.740 2.751 1.00 0.00 C ATOM 679 CE2 PHE B 25 -9.227 -8.423 3.836 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.486 -7.957 3.438 1.00 0.00 C ATOM 0 H PHE B 25 -4.582 -5.314 1.074 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.323 -6.426 0.585 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.093 -6.052 3.094 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.080 -4.618 2.893 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.535 -5.051 1.936 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.108 -8.032 3.859 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.569 -6.381 2.443 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.141 -9.361 4.364 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.371 -8.535 3.660 1.00 0.00 H new ATOM 690 N TYR B 26 -6.599 -4.099 -0.779 1.00 0.00 N ATOM 691 CA TYR B 26 -6.892 -2.796 -1.438 1.00 0.00 C ATOM 692 C TYR B 26 -8.371 -2.803 -1.840 1.00 0.00 C ATOM 693 O TYR B 26 -8.797 -3.616 -2.636 1.00 0.00 O ATOM 694 CB TYR B 26 -6.041 -2.649 -2.697 1.00 0.00 C ATOM 695 CG TYR B 26 -6.230 -1.259 -3.236 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.021 -0.158 -2.399 1.00 0.00 C ATOM 697 CD2 TYR B 26 -6.634 -1.065 -4.562 1.00 0.00 C ATOM 698 CE1 TYR B 26 -6.211 1.137 -2.885 1.00 0.00 C ATOM 699 CE2 TYR B 26 -6.827 0.232 -5.051 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.616 1.336 -4.213 1.00 0.00 C ATOM 701 OH TYR B 26 -6.807 2.617 -4.693 1.00 0.00 O ATOM 0 H TYR B 26 -6.086 -4.771 -1.351 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.670 -1.972 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.990 -2.828 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.335 -3.388 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.712 -0.310 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.797 -1.916 -5.207 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.046 1.986 -2.238 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.139 0.382 -6.074 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.086 2.576 -5.632 1.00 0.00 H new ATOM 711 N THR B 27 -9.169 -1.936 -1.275 1.00 0.00 N ATOM 712 CA THR B 27 -10.624 -1.945 -1.614 1.00 0.00 C ATOM 713 C THR B 27 -11.071 -0.597 -2.191 1.00 0.00 C ATOM 714 O THR B 27 -10.362 0.388 -2.136 1.00 0.00 O ATOM 715 CB THR B 27 -11.428 -2.243 -0.345 1.00 0.00 C ATOM 716 OG1 THR B 27 -11.581 -1.049 0.409 1.00 0.00 O ATOM 717 CG2 THR B 27 -10.692 -3.290 0.496 1.00 0.00 C ATOM 0 H THR B 27 -8.881 -1.228 -0.600 1.00 0.00 H new ATOM 0 HA THR B 27 -10.799 -2.712 -2.368 1.00 0.00 H new ATOM 0 HB THR B 27 -12.410 -2.627 -0.620 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.097 -1.238 1.220 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.266 -3.501 1.399 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.577 -4.206 -0.083 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.709 -2.909 0.772 1.00 0.00 H new ATOM 725 N LYS B 28 -12.260 -0.561 -2.739 1.00 0.00 N ATOM 726 CA LYS B 28 -12.799 0.700 -3.327 1.00 0.00 C ATOM 727 C LYS B 28 -14.110 0.390 -4.059 1.00 0.00 C ATOM 728 O LYS B 28 -14.134 -0.451 -4.936 1.00 0.00 O ATOM 729 CB LYS B 28 -11.800 1.276 -4.329 1.00 0.00 C ATOM 730 CG LYS B 28 -11.748 2.796 -4.170 1.00 0.00 C ATOM 731 CD LYS B 28 -10.431 3.328 -4.731 1.00 0.00 C ATOM 732 CE LYS B 28 -10.723 4.235 -5.926 1.00 0.00 C ATOM 733 NZ LYS B 28 -9.760 3.939 -7.023 1.00 0.00 N ATOM 0 H LYS B 28 -12.887 -1.363 -2.804 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.972 1.423 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.812 0.847 -4.163 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.094 1.015 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.588 3.255 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.841 3.065 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.892 3.882 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.791 2.500 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.745 4.079 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.643 5.281 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.959 4.556 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.790 4.109 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.857 2.945 -7.312 1.00 0.00 H new ATOM 747 N PRO B 29 -15.163 1.073 -3.686 1.00 0.00 N ATOM 748 CA PRO B 29 -16.486 0.879 -4.305 1.00 0.00 C ATOM 749 C PRO B 29 -16.558 1.612 -5.650 1.00 0.00 C ATOM 750 O PRO B 29 -16.171 2.759 -5.761 1.00 0.00 O ATOM 751 CB PRO B 29 -17.448 1.510 -3.296 1.00 0.00 C ATOM 752 CG PRO B 29 -16.613 2.514 -2.466 1.00 0.00 C ATOM 753 CD PRO B 29 -15.139 2.095 -2.619 1.00 0.00 C ATOM 0 HA PRO B 29 -16.713 -0.167 -4.512 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -18.269 2.015 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -17.891 0.749 -2.654 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -16.765 3.533 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -16.914 2.495 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.510 2.942 -2.893 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -14.741 1.690 -1.688 1.00 0.00 H new ATOM 761 N THR B 30 -17.054 0.964 -6.669 1.00 0.00 N ATOM 762 CA THR B 30 -17.152 1.631 -8.000 1.00 0.00 C ATOM 763 C THR B 30 -18.298 1.008 -8.802 1.00 0.00 C ATOM 764 O THR B 30 -18.347 -0.238 -8.904 1.00 0.00 O ATOM 765 CB THR B 30 -15.835 1.445 -8.761 1.00 0.00 C ATOM 766 OG1 THR B 30 -14.770 1.303 -7.833 1.00 0.00 O ATOM 767 CG2 THR B 30 -15.579 2.662 -9.652 1.00 0.00 C ATOM 768 OXT THR B 30 -19.138 1.773 -9.322 1.00 0.00 O ATOM 0 H THR B 30 -17.395 0.003 -6.638 1.00 0.00 H new ATOM 0 HA THR B 30 -17.345 2.695 -7.860 1.00 0.00 H new ATOM 0 HB THR B 30 -15.898 0.552 -9.382 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.927 1.182 -8.318 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.642 2.527 -10.192 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.396 2.769 -10.365 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.516 3.558 -9.035 1.00 0.00 H new TER 776 THR B 30