USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.415 K(o=0.86,f=1.6) USER MOD Set 1.2: A 19 TYR OH : rot 100:sc= 0.443 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -139:sc= -0.258 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00177 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.0622 X(o=0.062,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.016 X(o=-0.016,f=-0.17) USER MOD Single : B 1 PHE N :NH3+ -125:sc= -0.205 (180deg=-2.42!) USER MOD Single : B 3 ASN : amide:sc= 0.84 K(o=0.84,f=-3.6!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 5 HIS : no HE2:sc= -10.7! C(o=-11!,f=-10!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.152 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.451 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.680 5.496 4.973 1.00 0.00 N ATOM 2 CA GLY A 1 -1.284 6.136 3.643 1.00 0.00 C ATOM 3 C GLY A 1 0.141 6.083 3.205 1.00 0.00 C ATOM 4 O GLY A 1 0.787 7.099 3.042 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.701 5.620 5.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.454 4.481 4.951 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.155 5.951 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.885 5.669 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.576 7.185 3.684 1.00 0.00 H new ATOM 10 N ILE A 2 0.668 4.907 3.005 1.00 0.00 N ATOM 11 CA ILE A 2 2.088 4.793 2.569 1.00 0.00 C ATOM 12 C ILE A 2 2.308 5.629 1.306 1.00 0.00 C ATOM 13 O ILE A 2 3.254 6.384 1.213 1.00 0.00 O ATOM 14 CB ILE A 2 2.415 3.331 2.274 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.820 3.234 1.676 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.397 2.775 1.280 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.045 1.827 1.120 1.00 0.00 C ATOM 0 H ILE A 2 0.177 4.021 3.124 1.00 0.00 H new ATOM 0 HA ILE A 2 2.739 5.159 3.363 1.00 0.00 H new ATOM 0 HB ILE A 2 2.374 2.754 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.941 3.973 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.567 3.459 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.628 1.731 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.396 2.845 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.439 3.351 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.046 1.760 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.942 1.098 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.307 1.620 0.345 1.00 0.00 H new ATOM 29 N VAL A 3 1.448 5.488 0.329 1.00 0.00 N ATOM 30 CA VAL A 3 1.617 6.269 -0.936 1.00 0.00 C ATOM 31 C VAL A 3 2.069 7.695 -0.620 1.00 0.00 C ATOM 32 O VAL A 3 3.084 8.146 -1.100 1.00 0.00 O ATOM 33 CB VAL A 3 0.302 6.324 -1.722 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.003 4.947 -2.308 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.850 6.754 -0.806 1.00 0.00 C ATOM 0 H VAL A 3 0.638 4.868 0.351 1.00 0.00 H new ATOM 0 HA VAL A 3 2.374 5.769 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 3 0.401 7.053 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.932 4.985 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.813 4.652 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.086 4.220 -1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.777 6.788 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.953 6.038 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.640 7.742 -0.396 1.00 0.00 H new ATOM 45 N GLU A 4 1.331 8.412 0.177 1.00 0.00 N ATOM 46 CA GLU A 4 1.744 9.805 0.498 1.00 0.00 C ATOM 47 C GLU A 4 3.006 9.774 1.361 1.00 0.00 C ATOM 48 O GLU A 4 3.766 10.721 1.401 1.00 0.00 O ATOM 49 CB GLU A 4 0.620 10.515 1.256 1.00 0.00 C ATOM 50 CG GLU A 4 -0.465 10.951 0.270 1.00 0.00 C ATOM 51 CD GLU A 4 -0.845 12.408 0.538 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.040 13.179 0.874 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.014 12.729 0.404 1.00 0.00 O ATOM 0 H GLU A 4 0.466 8.098 0.617 1.00 0.00 H new ATOM 0 HA GLU A 4 1.949 10.345 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.197 9.849 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.015 11.382 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.107 10.840 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.342 10.311 0.372 1.00 0.00 H new ATOM 60 N GLN A 5 3.239 8.692 2.051 1.00 0.00 N ATOM 61 CA GLN A 5 4.456 8.605 2.905 1.00 0.00 C ATOM 62 C GLN A 5 5.697 8.553 2.012 1.00 0.00 C ATOM 63 O GLN A 5 6.715 9.143 2.313 1.00 0.00 O ATOM 64 CB GLN A 5 4.390 7.338 3.762 1.00 0.00 C ATOM 65 CG GLN A 5 5.118 7.579 5.086 1.00 0.00 C ATOM 66 CD GLN A 5 6.163 6.483 5.303 1.00 0.00 C ATOM 67 OE1 GLN A 5 7.337 6.767 5.440 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.786 5.235 5.339 1.00 0.00 N ATOM 0 H GLN A 5 2.641 7.866 2.060 1.00 0.00 H new ATOM 0 HA GLN A 5 4.509 9.479 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.351 7.067 3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.846 6.503 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.599 8.557 5.076 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.404 7.583 5.910 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.801 4.996 5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.476 4.498 5.482 1.00 0.00 H new ATOM 77 N CYS A 6 5.620 7.851 0.914 1.00 0.00 N ATOM 78 CA CYS A 6 6.796 7.762 0.004 1.00 0.00 C ATOM 79 C CYS A 6 6.559 8.631 -1.231 1.00 0.00 C ATOM 80 O CYS A 6 7.473 9.214 -1.780 1.00 0.00 O ATOM 81 CB CYS A 6 7.000 6.309 -0.424 1.00 0.00 C ATOM 82 SG CYS A 6 7.317 5.289 1.036 1.00 0.00 S ATOM 0 H CYS A 6 4.794 7.336 0.609 1.00 0.00 H new ATOM 0 HA CYS A 6 7.685 8.115 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.117 5.946 -0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.836 6.238 -1.119 1.00 0.00 H new ATOM 87 N CYS A 7 5.338 8.719 -1.670 1.00 0.00 N ATOM 88 CA CYS A 7 5.032 9.548 -2.871 1.00 0.00 C ATOM 89 C CYS A 7 5.141 11.031 -2.511 1.00 0.00 C ATOM 90 O CYS A 7 5.419 11.863 -3.351 1.00 0.00 O ATOM 91 CB CYS A 7 3.612 9.240 -3.359 1.00 0.00 C ATOM 92 SG CYS A 7 3.493 9.582 -5.132 1.00 0.00 S ATOM 0 H CYS A 7 4.534 8.252 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 7 5.744 9.315 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.367 8.196 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.889 9.845 -2.812 1.00 0.00 H new ATOM 97 N THR A 8 4.928 11.371 -1.268 1.00 0.00 N ATOM 98 CA THR A 8 5.026 12.801 -0.863 1.00 0.00 C ATOM 99 C THR A 8 6.316 13.009 -0.077 1.00 0.00 C ATOM 100 O THR A 8 7.051 13.951 -0.296 1.00 0.00 O ATOM 101 CB THR A 8 3.827 13.171 0.013 1.00 0.00 C ATOM 102 OG1 THR A 8 2.641 12.634 -0.555 1.00 0.00 O ATOM 103 CG2 THR A 8 3.710 14.693 0.102 1.00 0.00 C ATOM 0 H THR A 8 4.691 10.721 -0.518 1.00 0.00 H new ATOM 0 HA THR A 8 5.030 13.434 -1.750 1.00 0.00 H new ATOM 0 HB THR A 8 3.967 12.760 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.917 13.291 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.856 14.956 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.620 15.103 0.540 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.571 15.106 -0.897 1.00 0.00 H new ATOM 111 N SER A 9 6.593 12.129 0.835 1.00 0.00 N ATOM 112 CA SER A 9 7.833 12.250 1.646 1.00 0.00 C ATOM 113 C SER A 9 8.802 11.133 1.255 1.00 0.00 C ATOM 114 O SER A 9 8.656 10.504 0.227 1.00 0.00 O ATOM 115 CB SER A 9 7.484 12.127 3.129 1.00 0.00 C ATOM 116 OG SER A 9 7.548 13.411 3.736 1.00 0.00 O ATOM 0 H SER A 9 6.010 11.322 1.057 1.00 0.00 H new ATOM 0 HA SER A 9 8.299 13.218 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.485 11.707 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.176 11.444 3.622 1.00 0.00 H new ATOM 0 HG SER A 9 7.323 13.335 4.687 1.00 0.00 H new ATOM 122 N ILE A 10 9.792 10.883 2.067 1.00 0.00 N ATOM 123 CA ILE A 10 10.768 9.806 1.740 1.00 0.00 C ATOM 124 C ILE A 10 10.644 8.679 2.765 1.00 0.00 C ATOM 125 O ILE A 10 10.290 8.900 3.906 1.00 0.00 O ATOM 126 CB ILE A 10 12.189 10.373 1.780 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.416 11.295 0.578 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.197 9.227 1.733 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.468 12.489 0.668 1.00 0.00 C ATOM 0 H ILE A 10 9.967 11.377 2.942 1.00 0.00 H new ATOM 0 HA ILE A 10 10.559 9.419 0.743 1.00 0.00 H new ATOM 0 HB ILE A 10 12.320 10.941 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.450 11.638 0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.245 10.750 -0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.209 9.631 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.044 8.572 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.059 8.659 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.628 13.146 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.437 12.136 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.661 13.038 1.589 1.00 0.00 H new ATOM 141 N CYS A 11 10.935 7.470 2.369 1.00 0.00 N ATOM 142 CA CYS A 11 10.836 6.331 3.326 1.00 0.00 C ATOM 143 C CYS A 11 12.049 5.415 3.160 1.00 0.00 C ATOM 144 O CYS A 11 12.656 5.356 2.109 1.00 0.00 O ATOM 145 CB CYS A 11 9.557 5.538 3.051 1.00 0.00 C ATOM 146 SG CYS A 11 9.323 5.370 1.265 1.00 0.00 S ATOM 0 H CYS A 11 11.236 7.222 1.427 1.00 0.00 H new ATOM 0 HA CYS A 11 10.810 6.718 4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.620 4.553 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.700 6.045 3.495 1.00 0.00 H new ATOM 151 N SER A 12 12.409 4.699 4.191 1.00 0.00 N ATOM 152 CA SER A 12 13.583 3.787 4.091 1.00 0.00 C ATOM 153 C SER A 12 13.098 2.342 3.959 1.00 0.00 C ATOM 154 O SER A 12 11.935 2.048 4.152 1.00 0.00 O ATOM 155 CB SER A 12 14.444 3.925 5.347 1.00 0.00 C ATOM 156 OG SER A 12 13.619 3.795 6.498 1.00 0.00 O ATOM 0 H SER A 12 11.941 4.707 5.097 1.00 0.00 H new ATOM 0 HA SER A 12 14.175 4.051 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.222 3.161 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.947 4.892 5.353 1.00 0.00 H new ATOM 0 HG SER A 12 14.168 3.881 7.305 1.00 0.00 H new ATOM 162 N LEU A 13 13.979 1.439 3.633 1.00 0.00 N ATOM 163 CA LEU A 13 13.570 0.014 3.488 1.00 0.00 C ATOM 164 C LEU A 13 12.877 -0.451 4.770 1.00 0.00 C ATOM 165 O LEU A 13 11.850 -1.100 4.731 1.00 0.00 O ATOM 166 CB LEU A 13 14.807 -0.849 3.234 1.00 0.00 C ATOM 167 CG LEU A 13 15.375 -0.535 1.850 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.400 0.595 1.963 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.054 -1.783 1.282 1.00 0.00 C ATOM 0 H LEU A 13 14.967 1.626 3.460 1.00 0.00 H new ATOM 0 HA LEU A 13 12.882 -0.083 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.560 -0.658 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.546 -1.905 3.300 1.00 0.00 H new ATOM 0 HG LEU A 13 14.566 -0.227 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.805 0.819 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.918 1.485 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.209 0.288 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.459 -1.559 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.863 -2.091 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.325 -2.589 1.201 1.00 0.00 H new ATOM 181 N TYR A 14 13.426 -0.124 5.908 1.00 0.00 N ATOM 182 CA TYR A 14 12.793 -0.550 7.187 1.00 0.00 C ATOM 183 C TYR A 14 11.310 -0.190 7.153 1.00 0.00 C ATOM 184 O TYR A 14 10.452 -1.027 7.353 1.00 0.00 O ATOM 185 CB TYR A 14 13.468 0.167 8.357 1.00 0.00 C ATOM 186 CG TYR A 14 12.808 -0.248 9.650 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.407 -1.579 9.836 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.596 0.696 10.663 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.794 -1.964 11.035 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.982 0.310 11.862 1.00 0.00 C ATOM 191 CZ TYR A 14 11.582 -1.020 12.048 1.00 0.00 C ATOM 192 OH TYR A 14 10.978 -1.399 13.229 1.00 0.00 O ATOM 0 H TYR A 14 14.284 0.419 6.007 1.00 0.00 H new ATOM 0 HA TYR A 14 12.907 -1.627 7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.530 -0.078 8.383 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.393 1.247 8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.571 -2.307 9.055 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.906 1.721 10.520 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.485 -2.989 11.179 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.817 1.038 12.643 1.00 0.00 H new ATOM 0 HH TYR A 14 10.908 -0.624 13.824 1.00 0.00 H new ATOM 202 N GLN A 15 10.998 1.049 6.890 1.00 0.00 N ATOM 203 CA GLN A 15 9.568 1.454 6.833 1.00 0.00 C ATOM 204 C GLN A 15 8.923 0.823 5.601 1.00 0.00 C ATOM 205 O GLN A 15 7.752 0.501 5.594 1.00 0.00 O ATOM 206 CB GLN A 15 9.465 2.977 6.739 1.00 0.00 C ATOM 207 CG GLN A 15 10.031 3.608 8.012 1.00 0.00 C ATOM 208 CD GLN A 15 8.881 4.037 8.926 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.279 3.216 9.590 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.547 5.296 8.986 1.00 0.00 N ATOM 0 H GLN A 15 11.670 1.795 6.713 1.00 0.00 H new ATOM 0 HA GLN A 15 9.056 1.117 7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.014 3.336 5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.425 3.274 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.673 2.895 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.649 4.469 7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.052 5.985 8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.780 5.592 9.590 1.00 0.00 H new ATOM 219 N LEU A 16 9.686 0.638 4.559 1.00 0.00 N ATOM 220 CA LEU A 16 9.129 0.020 3.326 1.00 0.00 C ATOM 221 C LEU A 16 8.890 -1.466 3.578 1.00 0.00 C ATOM 222 O LEU A 16 8.079 -2.097 2.930 1.00 0.00 O ATOM 223 CB LEU A 16 10.124 0.191 2.176 1.00 0.00 C ATOM 224 CG LEU A 16 9.474 0.991 1.049 1.00 0.00 C ATOM 225 CD1 LEU A 16 10.462 2.035 0.529 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.090 0.045 -0.090 1.00 0.00 C ATOM 0 H LEU A 16 10.673 0.889 4.510 1.00 0.00 H new ATOM 0 HA LEU A 16 8.188 0.504 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.019 0.703 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.440 -0.785 1.807 1.00 0.00 H new ATOM 0 HG LEU A 16 8.582 1.490 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.998 2.606 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.739 2.709 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.354 1.535 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.626 0.615 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.984 -0.453 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.386 -0.702 0.279 1.00 0.00 H new ATOM 238 N GLU A 17 9.591 -2.030 4.520 1.00 0.00 N ATOM 239 CA GLU A 17 9.405 -3.474 4.820 1.00 0.00 C ATOM 240 C GLU A 17 8.150 -3.651 5.669 1.00 0.00 C ATOM 241 O GLU A 17 7.595 -4.729 5.758 1.00 0.00 O ATOM 242 CB GLU A 17 10.624 -4.005 5.576 1.00 0.00 C ATOM 243 CG GLU A 17 11.833 -4.032 4.640 1.00 0.00 C ATOM 244 CD GLU A 17 12.720 -5.231 4.984 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.456 -5.867 5.991 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.647 -5.491 4.235 1.00 0.00 O ATOM 0 H GLU A 17 10.285 -1.552 5.095 1.00 0.00 H new ATOM 0 HA GLU A 17 9.296 -4.031 3.889 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.833 -3.373 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.422 -5.007 5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.502 -4.097 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.401 -3.107 4.736 1.00 0.00 H new ATOM 253 N ASN A 18 7.682 -2.595 6.272 1.00 0.00 N ATOM 254 CA ASN A 18 6.447 -2.693 7.089 1.00 0.00 C ATOM 255 C ASN A 18 5.246 -2.802 6.149 1.00 0.00 C ATOM 256 O ASN A 18 4.113 -2.911 6.576 1.00 0.00 O ATOM 257 CB ASN A 18 6.307 -1.429 7.942 1.00 0.00 C ATOM 258 CG ASN A 18 6.857 -1.694 9.345 1.00 0.00 C ATOM 259 OD1 ASN A 18 6.107 -1.813 10.293 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.148 -1.792 9.518 1.00 0.00 N ATOM 0 H ASN A 18 8.104 -1.667 6.233 1.00 0.00 H new ATOM 0 HA ASN A 18 6.495 -3.568 7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.847 -0.603 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.260 -1.132 8.001 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.526 -1.968 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.778 -1.692 8.722 1.00 0.00 H new ATOM 267 N TYR A 19 5.487 -2.756 4.865 1.00 0.00 N ATOM 268 CA TYR A 19 4.378 -2.839 3.884 1.00 0.00 C ATOM 269 C TYR A 19 4.379 -4.215 3.218 1.00 0.00 C ATOM 270 O TYR A 19 3.484 -4.556 2.467 1.00 0.00 O ATOM 271 CB TYR A 19 4.585 -1.745 2.840 1.00 0.00 C ATOM 272 CG TYR A 19 4.376 -0.399 3.501 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.164 -0.117 4.151 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.396 0.563 3.480 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.974 1.123 4.774 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.205 1.802 4.105 1.00 0.00 C ATOM 277 CZ TYR A 19 3.994 2.082 4.751 1.00 0.00 C ATOM 278 OH TYR A 19 3.807 3.303 5.366 1.00 0.00 O ATOM 0 H TYR A 19 6.416 -2.663 4.455 1.00 0.00 H new ATOM 0 HA TYR A 19 3.418 -2.701 4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.589 -1.808 2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.885 -1.873 2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.377 -0.857 4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.330 0.348 2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.041 1.339 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.992 2.542 4.089 1.00 0.00 H new ATOM 0 HH TYR A 19 4.245 3.298 6.243 1.00 0.00 H new ATOM 288 N CYS A 20 5.378 -5.013 3.485 1.00 0.00 N ATOM 289 CA CYS A 20 5.431 -6.364 2.867 1.00 0.00 C ATOM 290 C CYS A 20 4.590 -7.336 3.700 1.00 0.00 C ATOM 291 O CYS A 20 4.837 -7.538 4.873 1.00 0.00 O ATOM 292 CB CYS A 20 6.878 -6.857 2.825 1.00 0.00 C ATOM 293 SG CYS A 20 7.984 -5.500 2.364 1.00 0.00 S ATOM 0 H CYS A 20 6.157 -4.786 4.103 1.00 0.00 H new ATOM 0 HA CYS A 20 5.037 -6.312 1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.163 -7.254 3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.972 -7.673 2.108 1.00 0.00 H new ATOM 298 N ASN A 21 3.598 -7.940 3.104 1.00 0.00 N ATOM 299 CA ASN A 21 2.745 -8.897 3.862 1.00 0.00 C ATOM 300 C ASN A 21 1.976 -8.145 4.951 1.00 0.00 C ATOM 301 O ASN A 21 0.830 -7.803 4.710 1.00 0.00 O ATOM 302 CB ASN A 21 3.626 -9.968 4.508 1.00 0.00 C ATOM 303 CG ASN A 21 3.045 -11.353 4.213 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.851 -11.710 3.069 1.00 0.00 O ATOM 305 ND2 ASN A 21 2.758 -12.151 5.204 1.00 0.00 N ATOM 306 OXT ASN A 21 2.547 -7.923 6.006 1.00 0.00 O ATOM 0 H ASN A 21 3.342 -7.812 2.125 1.00 0.00 H new ATOM 0 HA ASN A 21 2.039 -9.371 3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.643 -9.899 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.682 -9.807 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.370 -13.076 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.921 -11.850 6.165 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 17.601 0.654 -1.444 1.00 0.00 N ATOM 315 CA PHE B 1 17.077 1.988 -1.856 1.00 0.00 C ATOM 316 C PHE B 1 17.545 3.049 -0.858 1.00 0.00 C ATOM 317 O PHE B 1 17.872 2.751 0.273 1.00 0.00 O ATOM 318 CB PHE B 1 15.548 1.949 -1.876 1.00 0.00 C ATOM 319 CG PHE B 1 15.079 1.062 -3.006 1.00 0.00 C ATOM 320 CD1 PHE B 1 15.432 1.365 -4.328 1.00 0.00 C ATOM 321 CD2 PHE B 1 14.290 -0.062 -2.731 1.00 0.00 C ATOM 322 CE1 PHE B 1 14.995 0.542 -5.375 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.855 -0.885 -3.777 1.00 0.00 C ATOM 324 CZ PHE B 1 14.207 -0.583 -5.099 1.00 0.00 C ATOM 0 H1 PHE B 1 18.131 0.231 -2.232 1.00 0.00 H new ATOM 0 H2 PHE B 1 18.231 0.767 -0.624 1.00 0.00 H new ATOM 0 H3 PHE B 1 16.807 0.033 -1.188 1.00 0.00 H new ATOM 0 HA PHE B 1 17.449 2.234 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE B 1 15.171 1.573 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE B 1 15.150 2.956 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE B 1 16.040 2.232 -4.540 1.00 0.00 H new ATOM 0 HD2 PHE B 1 14.017 -0.294 -1.712 1.00 0.00 H new ATOM 0 HE1 PHE B 1 15.266 0.775 -6.394 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.248 -1.753 -3.565 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.871 -1.218 -5.906 1.00 0.00 H new ATOM 336 N VAL B 2 17.577 4.288 -1.268 1.00 0.00 N ATOM 337 CA VAL B 2 18.022 5.368 -0.343 1.00 0.00 C ATOM 338 C VAL B 2 16.893 6.385 -0.174 1.00 0.00 C ATOM 339 O VAL B 2 15.829 6.246 -0.743 1.00 0.00 O ATOM 340 CB VAL B 2 19.253 6.064 -0.924 1.00 0.00 C ATOM 341 CG1 VAL B 2 20.457 5.125 -0.844 1.00 0.00 C ATOM 342 CG2 VAL B 2 18.989 6.429 -2.387 1.00 0.00 C ATOM 0 H VAL B 2 17.314 4.598 -2.203 1.00 0.00 H new ATOM 0 HA VAL B 2 18.274 4.937 0.626 1.00 0.00 H new ATOM 0 HB VAL B 2 19.460 6.969 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL B 2 21.334 5.622 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL B 2 20.646 4.864 0.197 1.00 0.00 H new ATOM 0 HG13 VAL B 2 20.250 4.219 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL B 2 19.866 6.925 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL B 2 18.781 5.523 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL B 2 18.131 7.099 -2.446 1.00 0.00 H new ATOM 352 N ASN B 3 17.114 7.410 0.606 1.00 0.00 N ATOM 353 CA ASN B 3 16.047 8.432 0.805 1.00 0.00 C ATOM 354 C ASN B 3 15.463 8.825 -0.549 1.00 0.00 C ATOM 355 O ASN B 3 16.089 9.506 -1.335 1.00 0.00 O ATOM 356 CB ASN B 3 16.635 9.670 1.486 1.00 0.00 C ATOM 357 CG ASN B 3 18.091 9.852 1.052 1.00 0.00 C ATOM 358 OD1 ASN B 3 18.951 9.081 1.430 1.00 0.00 O ATOM 359 ND2 ASN B 3 18.405 10.847 0.268 1.00 0.00 N ATOM 0 H ASN B 3 17.983 7.583 1.111 1.00 0.00 H new ATOM 0 HA ASN B 3 15.262 8.015 1.435 1.00 0.00 H new ATOM 0 HB2 ASN B 3 16.053 10.553 1.222 1.00 0.00 H new ATOM 0 HB3 ASN B 3 16.579 9.563 2.569 1.00 0.00 H new ATOM 0 HD21 ASN B 3 19.372 10.978 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN B 3 17.683 11.494 -0.049 1.00 0.00 H new ATOM 366 N GLN B 4 14.270 8.382 -0.832 1.00 0.00 N ATOM 367 CA GLN B 4 13.650 8.709 -2.137 1.00 0.00 C ATOM 368 C GLN B 4 12.123 8.642 -2.021 1.00 0.00 C ATOM 369 O GLN B 4 11.584 8.157 -1.043 1.00 0.00 O ATOM 370 CB GLN B 4 14.136 7.679 -3.147 1.00 0.00 C ATOM 371 CG GLN B 4 13.274 7.730 -4.410 1.00 0.00 C ATOM 372 CD GLN B 4 13.853 6.784 -5.461 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.717 5.982 -5.163 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.413 6.842 -6.688 1.00 0.00 N ATOM 0 H GLN B 4 13.700 7.807 -0.212 1.00 0.00 H new ATOM 0 HA GLN B 4 13.926 9.716 -2.451 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.178 7.872 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.094 6.682 -2.709 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.248 7.445 -4.175 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.241 8.747 -4.800 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.688 7.515 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.794 6.215 -7.397 1.00 0.00 H new ATOM 383 N HIS B 5 11.426 9.123 -3.018 1.00 0.00 N ATOM 384 CA HIS B 5 9.938 9.088 -2.981 1.00 0.00 C ATOM 385 C HIS B 5 9.435 7.949 -3.872 1.00 0.00 C ATOM 386 O HIS B 5 9.919 7.747 -4.968 1.00 0.00 O ATOM 387 CB HIS B 5 9.383 10.415 -3.504 1.00 0.00 C ATOM 388 CG HIS B 5 10.100 11.564 -2.849 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.407 12.624 -2.303 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.433 11.811 -2.670 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.324 13.472 -1.816 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.577 13.017 -2.017 1.00 0.00 N ATOM 0 H HIS B 5 11.827 9.540 -3.858 1.00 0.00 H new ATOM 0 HA HIS B 5 9.605 8.929 -1.955 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.504 10.469 -4.586 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.314 10.478 -3.300 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.394 12.740 -2.275 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.240 11.168 -2.988 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.088 14.404 -1.324 1.00 0.00 H new ATOM 400 N LEU B 6 8.465 7.208 -3.413 1.00 0.00 N ATOM 401 CA LEU B 6 7.926 6.086 -4.233 1.00 0.00 C ATOM 402 C LEU B 6 6.437 6.327 -4.496 1.00 0.00 C ATOM 403 O LEU B 6 5.790 7.079 -3.794 1.00 0.00 O ATOM 404 CB LEU B 6 8.115 4.766 -3.478 1.00 0.00 C ATOM 405 CG LEU B 6 9.473 4.149 -3.840 1.00 0.00 C ATOM 406 CD1 LEU B 6 10.549 5.236 -3.889 1.00 0.00 C ATOM 407 CD2 LEU B 6 9.857 3.115 -2.780 1.00 0.00 C ATOM 0 H LEU B 6 8.021 7.331 -2.503 1.00 0.00 H new ATOM 0 HA LEU B 6 8.458 6.033 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.059 4.940 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.312 4.074 -3.731 1.00 0.00 H new ATOM 0 HG LEU B 6 9.397 3.673 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU B 6 11.508 4.787 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU B 6 10.282 5.978 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.624 5.718 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU B 6 10.821 2.675 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.925 3.600 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.099 2.333 -2.744 1.00 0.00 H new ATOM 419 N CYS B 7 5.888 5.702 -5.504 1.00 0.00 N ATOM 420 CA CYS B 7 4.443 5.910 -5.813 1.00 0.00 C ATOM 421 C CYS B 7 3.878 4.685 -6.539 1.00 0.00 C ATOM 422 O CYS B 7 4.394 4.262 -7.556 1.00 0.00 O ATOM 423 CB CYS B 7 4.286 7.134 -6.720 1.00 0.00 C ATOM 424 SG CYS B 7 5.049 8.579 -5.942 1.00 0.00 S ATOM 0 H CYS B 7 6.377 5.058 -6.126 1.00 0.00 H new ATOM 0 HA CYS B 7 3.902 6.062 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.751 6.943 -7.687 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.229 7.326 -6.907 1.00 0.00 H new ATOM 429 N GLY B 8 2.810 4.129 -6.034 1.00 0.00 N ATOM 430 CA GLY B 8 2.182 2.944 -6.692 1.00 0.00 C ATOM 431 C GLY B 8 3.252 1.998 -7.245 1.00 0.00 C ATOM 432 O GLY B 8 3.984 1.372 -6.506 1.00 0.00 O ATOM 0 H GLY B 8 2.341 4.447 -5.186 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.557 2.413 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.530 3.274 -7.500 1.00 0.00 H new ATOM 436 N SER B 9 3.334 1.883 -8.545 1.00 0.00 N ATOM 437 CA SER B 9 4.342 0.971 -9.155 1.00 0.00 C ATOM 438 C SER B 9 5.670 1.099 -8.412 1.00 0.00 C ATOM 439 O SER B 9 6.077 0.197 -7.714 1.00 0.00 O ATOM 440 CB SER B 9 4.539 1.341 -10.626 1.00 0.00 C ATOM 441 OG SER B 9 3.666 2.411 -10.962 1.00 0.00 O ATOM 0 H SER B 9 2.744 2.383 -9.210 1.00 0.00 H new ATOM 0 HA SER B 9 3.989 -0.058 -9.083 1.00 0.00 H new ATOM 0 HB2 SER B 9 5.574 1.631 -10.804 1.00 0.00 H new ATOM 0 HB3 SER B 9 4.336 0.478 -11.260 1.00 0.00 H new ATOM 0 HG SER B 9 3.791 2.652 -11.904 1.00 0.00 H new ATOM 447 N ASP B 10 6.347 2.208 -8.542 1.00 0.00 N ATOM 448 CA ASP B 10 7.644 2.369 -7.820 1.00 0.00 C ATOM 449 C ASP B 10 7.462 1.874 -6.387 1.00 0.00 C ATOM 450 O ASP B 10 8.344 1.271 -5.807 1.00 0.00 O ATOM 451 CB ASP B 10 8.050 3.844 -7.808 1.00 0.00 C ATOM 452 CG ASP B 10 8.668 4.216 -9.158 1.00 0.00 C ATOM 453 OD1 ASP B 10 7.914 4.453 -10.088 1.00 0.00 O ATOM 454 OD2 ASP B 10 9.885 4.259 -9.238 1.00 0.00 O ATOM 0 H ASP B 10 6.062 3.004 -9.112 1.00 0.00 H new ATOM 0 HA ASP B 10 8.424 1.794 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.180 4.470 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.765 4.029 -7.006 1.00 0.00 H new ATOM 459 N LEU B 11 6.308 2.104 -5.819 1.00 0.00 N ATOM 460 CA LEU B 11 6.052 1.624 -4.435 1.00 0.00 C ATOM 461 C LEU B 11 5.979 0.098 -4.467 1.00 0.00 C ATOM 462 O LEU B 11 6.668 -0.585 -3.737 1.00 0.00 O ATOM 463 CB LEU B 11 4.728 2.195 -3.929 1.00 0.00 C ATOM 464 CG LEU B 11 4.996 3.394 -3.018 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.670 3.901 -2.448 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.913 2.968 -1.870 1.00 0.00 C ATOM 0 H LEU B 11 5.533 2.604 -6.256 1.00 0.00 H new ATOM 0 HA LEU B 11 6.850 1.949 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.106 2.498 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.175 1.429 -3.385 1.00 0.00 H new ATOM 0 HG LEU B 11 5.476 4.187 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.857 4.756 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.014 4.203 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.193 3.106 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.104 3.822 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.433 2.176 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.856 2.602 -2.275 1.00 0.00 H new ATOM 478 N VAL B 12 5.167 -0.441 -5.337 1.00 0.00 N ATOM 479 CA VAL B 12 5.069 -1.919 -5.452 1.00 0.00 C ATOM 480 C VAL B 12 6.396 -2.437 -6.014 1.00 0.00 C ATOM 481 O VAL B 12 6.692 -3.615 -5.977 1.00 0.00 O ATOM 482 CB VAL B 12 3.902 -2.284 -6.392 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.830 -1.201 -6.334 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.388 -2.426 -7.840 1.00 0.00 C ATOM 0 H VAL B 12 4.567 0.083 -5.974 1.00 0.00 H new ATOM 0 HA VAL B 12 4.879 -2.373 -4.480 1.00 0.00 H new ATOM 0 HB VAL B 12 3.489 -3.237 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.009 -1.466 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.456 -1.114 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.258 -0.248 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.546 -2.684 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.823 -1.483 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.141 -3.212 -7.896 1.00 0.00 H new ATOM 494 N GLU B 13 7.190 -1.544 -6.537 1.00 0.00 N ATOM 495 CA GLU B 13 8.499 -1.927 -7.115 1.00 0.00 C ATOM 496 C GLU B 13 9.527 -1.961 -5.991 1.00 0.00 C ATOM 497 O GLU B 13 10.196 -2.952 -5.777 1.00 0.00 O ATOM 498 CB GLU B 13 8.878 -0.884 -8.164 1.00 0.00 C ATOM 499 CG GLU B 13 8.640 -1.463 -9.559 1.00 0.00 C ATOM 500 CD GLU B 13 9.017 -0.423 -10.615 1.00 0.00 C ATOM 501 OE1 GLU B 13 10.184 -0.354 -10.960 1.00 0.00 O ATOM 502 OE2 GLU B 13 8.131 0.287 -11.060 1.00 0.00 O ATOM 0 H GLU B 13 6.978 -0.547 -6.587 1.00 0.00 H new ATOM 0 HA GLU B 13 8.457 -2.909 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.284 0.020 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.924 -0.599 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.234 -2.367 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.594 -1.749 -9.672 1.00 0.00 H new ATOM 509 N ALA B 14 9.635 -0.901 -5.238 1.00 0.00 N ATOM 510 CA ALA B 14 10.591 -0.917 -4.104 1.00 0.00 C ATOM 511 C ALA B 14 10.196 -2.091 -3.215 1.00 0.00 C ATOM 512 O ALA B 14 10.991 -2.957 -2.915 1.00 0.00 O ATOM 513 CB ALA B 14 10.485 0.390 -3.316 1.00 0.00 C ATOM 0 H ALA B 14 9.108 -0.036 -5.359 1.00 0.00 H new ATOM 0 HA ALA B 14 11.618 -1.017 -4.456 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.190 0.372 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.718 1.230 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.472 0.501 -2.930 1.00 0.00 H new ATOM 519 N LEU B 15 8.947 -2.138 -2.833 1.00 0.00 N ATOM 520 CA LEU B 15 8.450 -3.260 -2.004 1.00 0.00 C ATOM 521 C LEU B 15 8.804 -4.569 -2.703 1.00 0.00 C ATOM 522 O LEU B 15 9.320 -5.495 -2.107 1.00 0.00 O ATOM 523 CB LEU B 15 6.932 -3.136 -1.897 1.00 0.00 C ATOM 524 CG LEU B 15 6.574 -2.127 -0.808 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.475 -1.194 -1.321 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.072 -2.872 0.429 1.00 0.00 C ATOM 0 H LEU B 15 8.246 -1.435 -3.066 1.00 0.00 H new ATOM 0 HA LEU B 15 8.897 -3.240 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.515 -2.818 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.493 -4.107 -1.665 1.00 0.00 H new ATOM 0 HG LEU B 15 7.456 -1.542 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.218 -0.473 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.831 -0.664 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.592 -1.779 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.816 -2.153 1.208 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.189 -3.455 0.169 1.00 0.00 H new ATOM 0 HD23 LEU B 15 6.853 -3.539 0.794 1.00 0.00 H new ATOM 538 N TYR B 16 8.528 -4.637 -3.976 1.00 0.00 N ATOM 539 CA TYR B 16 8.837 -5.861 -4.764 1.00 0.00 C ATOM 540 C TYR B 16 10.172 -6.457 -4.322 1.00 0.00 C ATOM 541 O TYR B 16 10.280 -7.635 -4.045 1.00 0.00 O ATOM 542 CB TYR B 16 8.949 -5.473 -6.236 1.00 0.00 C ATOM 543 CG TYR B 16 7.895 -6.194 -7.037 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.689 -7.565 -6.849 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.123 -5.490 -7.972 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.709 -8.236 -7.592 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.144 -6.160 -8.717 1.00 0.00 C ATOM 548 CZ TYR B 16 5.937 -7.533 -8.527 1.00 0.00 C ATOM 549 OH TYR B 16 4.972 -8.192 -9.261 1.00 0.00 O ATOM 0 H TYR B 16 8.095 -3.884 -4.511 1.00 0.00 H new ATOM 0 HA TYR B 16 8.046 -6.595 -4.609 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.829 -4.395 -6.347 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.940 -5.724 -6.613 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.286 -8.107 -6.130 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.283 -4.432 -8.118 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.549 -9.294 -7.444 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.549 -5.619 -9.438 1.00 0.00 H new ATOM 0 HH TYR B 16 4.528 -7.558 -9.862 1.00 0.00 H new ATOM 559 N LEU B 17 11.195 -5.654 -4.285 1.00 0.00 N ATOM 560 CA LEU B 17 12.537 -6.165 -3.897 1.00 0.00 C ATOM 561 C LEU B 17 12.649 -6.277 -2.373 1.00 0.00 C ATOM 562 O LEU B 17 12.911 -7.339 -1.843 1.00 0.00 O ATOM 563 CB LEU B 17 13.599 -5.201 -4.425 1.00 0.00 C ATOM 564 CG LEU B 17 14.854 -5.978 -4.829 1.00 0.00 C ATOM 565 CD1 LEU B 17 14.479 -7.094 -5.806 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.839 -5.024 -5.507 1.00 0.00 C ATOM 0 H LEU B 17 11.160 -4.659 -4.508 1.00 0.00 H new ATOM 0 HA LEU B 17 12.685 -7.157 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.210 -4.651 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.847 -4.465 -3.660 1.00 0.00 H new ATOM 0 HG LEU B 17 15.311 -6.414 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU B 17 15.376 -7.645 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.772 -7.773 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.021 -6.661 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.735 -5.572 -5.797 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.375 -4.592 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU B 17 16.109 -4.227 -4.814 1.00 0.00 H new ATOM 578 N VAL B 18 12.466 -5.199 -1.660 1.00 0.00 N ATOM 579 CA VAL B 18 12.580 -5.277 -0.171 1.00 0.00 C ATOM 580 C VAL B 18 11.665 -6.385 0.348 1.00 0.00 C ATOM 581 O VAL B 18 11.960 -7.045 1.325 1.00 0.00 O ATOM 582 CB VAL B 18 12.173 -3.949 0.469 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.400 -3.047 0.600 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.123 -3.254 -0.395 1.00 0.00 C ATOM 0 H VAL B 18 12.245 -4.277 -2.036 1.00 0.00 H new ATOM 0 HA VAL B 18 13.616 -5.492 0.090 1.00 0.00 H new ATOM 0 HB VAL B 18 11.754 -4.143 1.456 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.109 -2.101 1.056 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.147 -3.537 1.225 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.821 -2.859 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.839 -2.309 0.068 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.535 -3.063 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.245 -3.893 -0.485 1.00 0.00 H new ATOM 594 N CYS B 19 10.560 -6.597 -0.305 1.00 0.00 N ATOM 595 CA CYS B 19 9.622 -7.665 0.130 1.00 0.00 C ATOM 596 C CYS B 19 9.926 -8.926 -0.675 1.00 0.00 C ATOM 597 O CYS B 19 10.233 -9.969 -0.135 1.00 0.00 O ATOM 598 CB CYS B 19 8.187 -7.220 -0.147 1.00 0.00 C ATOM 599 SG CYS B 19 7.982 -5.486 0.341 1.00 0.00 S ATOM 0 H CYS B 19 10.264 -6.072 -1.128 1.00 0.00 H new ATOM 0 HA CYS B 19 9.738 -7.861 1.196 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.956 -7.340 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.488 -7.848 0.405 1.00 0.00 H new ATOM 604 N GLY B 20 9.855 -8.822 -1.971 1.00 0.00 N ATOM 605 CA GLY B 20 10.152 -9.992 -2.835 1.00 0.00 C ATOM 606 C GLY B 20 9.379 -11.218 -2.343 1.00 0.00 C ATOM 607 O GLY B 20 8.166 -11.261 -2.392 1.00 0.00 O ATOM 0 H GLY B 20 9.602 -7.970 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY B 20 9.880 -9.771 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.222 -10.199 -2.825 1.00 0.00 H new ATOM 611 N GLU B 21 10.076 -12.217 -1.873 1.00 0.00 N ATOM 612 CA GLU B 21 9.388 -13.446 -1.384 1.00 0.00 C ATOM 613 C GLU B 21 8.413 -13.082 -0.262 1.00 0.00 C ATOM 614 O GLU B 21 7.548 -13.858 0.097 1.00 0.00 O ATOM 615 CB GLU B 21 10.430 -14.434 -0.856 1.00 0.00 C ATOM 616 CG GLU B 21 9.849 -15.849 -0.873 1.00 0.00 C ATOM 617 CD GLU B 21 10.384 -16.636 0.326 1.00 0.00 C ATOM 618 OE1 GLU B 21 11.459 -16.302 0.796 1.00 0.00 O ATOM 619 OE2 GLU B 21 9.708 -17.558 0.754 1.00 0.00 O ATOM 0 H GLU B 21 11.094 -12.235 -1.807 1.00 0.00 H new ATOM 0 HA GLU B 21 8.835 -13.902 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.330 -14.392 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.723 -14.162 0.158 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.760 -15.807 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.118 -16.353 -1.801 1.00 0.00 H new ATOM 626 N ARG B 22 8.541 -11.910 0.296 1.00 0.00 N ATOM 627 CA ARG B 22 7.616 -11.503 1.392 1.00 0.00 C ATOM 628 C ARG B 22 6.243 -11.169 0.805 1.00 0.00 C ATOM 629 O ARG B 22 5.319 -10.831 1.520 1.00 0.00 O ATOM 630 CB ARG B 22 8.177 -10.270 2.104 1.00 0.00 C ATOM 631 CG ARG B 22 8.448 -10.608 3.572 1.00 0.00 C ATOM 632 CD ARG B 22 9.913 -11.012 3.742 1.00 0.00 C ATOM 633 NE ARG B 22 10.491 -10.301 4.917 1.00 0.00 N ATOM 634 CZ ARG B 22 10.811 -9.039 4.821 1.00 0.00 C ATOM 635 NH1 ARG B 22 11.863 -8.683 4.137 1.00 0.00 N ATOM 636 NH2 ARG B 22 10.078 -8.135 5.411 1.00 0.00 N ATOM 0 H ARG B 22 9.245 -11.217 0.041 1.00 0.00 H new ATOM 0 HA ARG B 22 7.518 -12.322 2.105 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.097 -9.944 1.619 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.470 -9.443 2.035 1.00 0.00 H new ATOM 0 HG2 ARG B 22 8.222 -9.748 4.202 1.00 0.00 H new ATOM 0 HG3 ARG B 22 7.796 -11.420 3.895 1.00 0.00 H new ATOM 0 HD2 ARG B 22 9.990 -12.090 3.882 1.00 0.00 H new ATOM 0 HD3 ARG B 22 10.476 -10.766 2.842 1.00 0.00 H new ATOM 0 HE ARG B 22 10.636 -10.800 5.795 1.00 0.00 H new ATOM 0 HH11 ARG B 22 12.436 -9.391 3.677 1.00 0.00 H new ATOM 0 HH12 ARG B 22 12.113 -7.697 4.062 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.256 -8.415 5.946 1.00 0.00 H new ATOM 0 HH22 ARG B 22 10.327 -7.149 5.337 1.00 0.00 H new ATOM 650 N GLY B 23 6.099 -11.256 -0.490 1.00 0.00 N ATOM 651 CA GLY B 23 4.784 -10.939 -1.114 1.00 0.00 C ATOM 652 C GLY B 23 4.246 -9.635 -0.522 1.00 0.00 C ATOM 653 O GLY B 23 3.505 -9.638 0.439 1.00 0.00 O ATOM 0 H GLY B 23 6.834 -11.532 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.894 -10.843 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.079 -11.751 -0.936 1.00 0.00 H new ATOM 657 N PHE B 24 4.620 -8.521 -1.087 1.00 0.00 N ATOM 658 CA PHE B 24 4.135 -7.219 -0.553 1.00 0.00 C ATOM 659 C PHE B 24 2.695 -6.980 -1.008 1.00 0.00 C ATOM 660 O PHE B 24 2.225 -7.578 -1.956 1.00 0.00 O ATOM 661 CB PHE B 24 5.039 -6.092 -1.061 1.00 0.00 C ATOM 662 CG PHE B 24 4.737 -5.803 -2.512 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.759 -4.858 -2.847 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.435 -6.479 -3.522 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.477 -4.589 -4.192 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.153 -6.210 -4.868 1.00 0.00 C ATOM 667 CZ PHE B 24 4.174 -5.265 -5.203 1.00 0.00 C ATOM 0 H PHE B 24 5.240 -8.456 -1.894 1.00 0.00 H new ATOM 0 HA PHE B 24 4.163 -7.238 0.536 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.885 -5.194 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.086 -6.375 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE B 24 3.222 -4.337 -2.068 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.190 -7.207 -3.263 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.723 -3.861 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.690 -6.731 -5.647 1.00 0.00 H new ATOM 0 HZ PHE B 24 3.956 -5.057 -6.240 1.00 0.00 H new ATOM 677 N PHE B 25 1.987 -6.112 -0.336 1.00 0.00 N ATOM 678 CA PHE B 25 0.576 -5.841 -0.730 1.00 0.00 C ATOM 679 C PHE B 25 0.350 -4.331 -0.822 1.00 0.00 C ATOM 680 O PHE B 25 -0.031 -3.690 0.137 1.00 0.00 O ATOM 681 CB PHE B 25 -0.370 -6.435 0.317 1.00 0.00 C ATOM 682 CG PHE B 25 -0.079 -5.820 1.665 1.00 0.00 C ATOM 683 CD1 PHE B 25 1.116 -6.125 2.331 1.00 0.00 C ATOM 684 CD2 PHE B 25 -1.003 -4.945 2.251 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.387 -5.554 3.581 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.733 -4.374 3.502 1.00 0.00 C ATOM 687 CZ PHE B 25 0.463 -4.679 4.167 1.00 0.00 C ATOM 0 H PHE B 25 2.324 -5.581 0.467 1.00 0.00 H new ATOM 0 HA PHE B 25 0.378 -6.297 -1.700 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.406 -6.246 0.035 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.244 -7.517 0.364 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.828 -6.800 1.880 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.924 -4.710 1.738 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.308 -5.788 4.093 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.446 -3.700 3.953 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.672 -4.239 5.131 1.00 0.00 H new ATOM 697 N TYR B 26 0.581 -3.757 -1.971 1.00 0.00 N ATOM 698 CA TYR B 26 0.376 -2.289 -2.123 1.00 0.00 C ATOM 699 C TYR B 26 -1.125 -1.993 -2.177 1.00 0.00 C ATOM 700 O TYR B 26 -1.820 -2.420 -3.077 1.00 0.00 O ATOM 701 CB TYR B 26 1.047 -1.811 -3.415 1.00 0.00 C ATOM 702 CG TYR B 26 0.560 -0.424 -3.756 1.00 0.00 C ATOM 703 CD1 TYR B 26 0.518 0.565 -2.766 1.00 0.00 C ATOM 704 CD2 TYR B 26 0.148 -0.126 -5.063 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.065 1.852 -3.080 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.306 1.162 -5.377 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.347 2.151 -4.385 1.00 0.00 C ATOM 708 OH TYR B 26 -0.793 3.420 -4.695 1.00 0.00 O ATOM 0 H TYR B 26 0.902 -4.240 -2.810 1.00 0.00 H new ATOM 0 HA TYR B 26 0.818 -1.765 -1.276 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.130 -1.807 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.820 -2.498 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR B 26 0.835 0.335 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR B 26 0.181 -0.889 -5.827 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.033 2.615 -2.316 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -0.624 1.392 -6.383 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.039 3.458 -5.643 1.00 0.00 H new ATOM 718 N THR B 27 -1.630 -1.266 -1.219 1.00 0.00 N ATOM 719 CA THR B 27 -3.085 -0.943 -1.214 1.00 0.00 C ATOM 720 C THR B 27 -3.354 0.209 -2.182 1.00 0.00 C ATOM 721 O THR B 27 -2.479 0.997 -2.484 1.00 0.00 O ATOM 722 CB THR B 27 -3.510 -0.533 0.198 1.00 0.00 C ATOM 723 OG1 THR B 27 -3.006 0.765 0.483 1.00 0.00 O ATOM 724 CG2 THR B 27 -2.953 -1.532 1.213 1.00 0.00 C ATOM 0 H THR B 27 -1.098 -0.881 -0.439 1.00 0.00 H new ATOM 0 HA THR B 27 -3.654 -1.819 -1.525 1.00 0.00 H new ATOM 0 HB THR B 27 -4.598 -0.524 0.262 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.278 1.031 1.386 1.00 0.00 H new ATOM 0 HG21 THR B 27 -3.257 -1.238 2.218 1.00 0.00 H new ATOM 0 HG22 THR B 27 -3.340 -2.527 0.994 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.865 -1.544 1.152 1.00 0.00 H new ATOM 732 N LYS B 28 -4.559 0.316 -2.673 1.00 0.00 N ATOM 733 CA LYS B 28 -4.881 1.417 -3.622 1.00 0.00 C ATOM 734 C LYS B 28 -5.941 2.335 -2.997 1.00 0.00 C ATOM 735 O LYS B 28 -6.896 1.862 -2.414 1.00 0.00 O ATOM 736 CB LYS B 28 -5.427 0.822 -4.921 1.00 0.00 C ATOM 737 CG LYS B 28 -5.383 1.879 -6.027 1.00 0.00 C ATOM 738 CD LYS B 28 -5.509 1.198 -7.390 1.00 0.00 C ATOM 739 CE LYS B 28 -5.600 2.259 -8.487 1.00 0.00 C ATOM 740 NZ LYS B 28 -5.944 1.608 -9.782 1.00 0.00 N ATOM 0 H LYS B 28 -5.333 -0.312 -2.457 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.980 1.992 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -4.837 -0.047 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.451 0.478 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.192 2.596 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.449 2.438 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -4.649 0.552 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.395 0.563 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.356 3.000 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.651 2.789 -8.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.006 2.330 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -5.207 0.917 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.859 1.122 -9.694 1.00 0.00 H new ATOM 754 N PRO B 29 -5.741 3.623 -3.136 1.00 0.00 N ATOM 755 CA PRO B 29 -6.667 4.631 -2.592 1.00 0.00 C ATOM 756 C PRO B 29 -7.891 4.777 -3.503 1.00 0.00 C ATOM 757 O PRO B 29 -8.103 5.808 -4.111 1.00 0.00 O ATOM 758 CB PRO B 29 -5.836 5.916 -2.588 1.00 0.00 C ATOM 759 CG PRO B 29 -4.713 5.714 -3.633 1.00 0.00 C ATOM 760 CD PRO B 29 -4.577 4.193 -3.843 1.00 0.00 C ATOM 0 HA PRO B 29 -7.050 4.374 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -6.453 6.778 -2.843 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -5.417 6.104 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -4.960 6.214 -4.569 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -3.774 6.142 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.589 3.935 -4.902 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.639 3.817 -3.434 1.00 0.00 H new ATOM 768 N THR B 30 -8.697 3.755 -3.602 1.00 0.00 N ATOM 769 CA THR B 30 -9.902 3.839 -4.474 1.00 0.00 C ATOM 770 C THR B 30 -11.059 4.460 -3.687 1.00 0.00 C ATOM 771 O THR B 30 -12.164 4.466 -4.203 1.00 0.00 O ATOM 772 CB THR B 30 -10.296 2.436 -4.938 1.00 0.00 C ATOM 773 OG1 THR B 30 -10.899 1.734 -3.860 1.00 0.00 O ATOM 774 CG2 THR B 30 -9.051 1.682 -5.408 1.00 0.00 C ATOM 775 OXT THR B 30 -10.820 4.917 -2.582 1.00 0.00 O ATOM 0 H THR B 30 -8.573 2.866 -3.117 1.00 0.00 H new ATOM 0 HA THR B 30 -9.679 4.459 -5.342 1.00 0.00 H new ATOM 0 HB THR B 30 -11.004 2.512 -5.763 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.154 0.835 -4.157 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.334 0.682 -5.738 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.590 2.221 -6.236 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.340 1.605 -4.585 1.00 0.00 H new TER 783 THR B 30