USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 376 hydrogens (7 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 NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 ILE C :(H bumps) USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 8 THR OG1 : rot -81:sc= 0.693 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 GLY N :NH3+ 180:sc=-0.00528 (180deg=-0.00528) USER MOD Set 3.2: B 27 THR OG1 : rot 150:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.15 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0632 F(o=-0.58,f=-0.063) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= 0.229 F(o=-1.2,f=0.23) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.692 K(o=0.69,f=-6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -134:sc= -0.601 (180deg=-1.61) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.035 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.436 -4.045 9.227 1.00 0.00 N ATOM 2 CA GLY A 1 -0.364 -5.066 8.847 1.00 0.00 C ATOM 3 C GLY A 1 0.301 -4.966 7.519 1.00 0.00 C ATOM 4 O GLY A 1 0.973 -5.878 7.079 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.795 -4.257 10.180 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.025 -3.090 9.217 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.218 -4.092 8.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.415 -5.021 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.816 -6.055 8.913 1.00 0.00 H new ATOM 10 N ILE A 2 0.139 -3.861 6.845 1.00 0.00 N ATOM 11 CA ILE A 2 0.786 -3.708 5.513 1.00 0.00 C ATOM 12 C ILE A 2 2.056 -2.871 5.666 1.00 0.00 C ATOM 13 O ILE A 2 3.146 -3.343 5.428 1.00 0.00 O ATOM 14 CB ILE A 2 -0.203 -3.062 4.518 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.541 -2.171 3.516 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.245 -2.226 5.266 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.150 -2.257 2.158 1.00 0.00 C ATOM 0 H ILE A 2 -0.411 -3.061 7.158 1.00 0.00 H new ATOM 0 HA ILE A 2 1.062 -4.685 5.116 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.706 -3.863 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.552 -1.139 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.580 -2.489 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.934 -1.778 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.800 -2.866 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.744 -1.439 5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.375 -1.625 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.138 -3.289 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.182 -1.918 2.253 1.00 0.00 H new HETATM 29 N ABA A 3 1.919 -1.638 6.057 1.00 0.00 N HETATM 30 CA ABA A 3 3.114 -0.762 6.228 1.00 0.00 C HETATM 31 C ABA A 3 4.249 -1.567 6.845 1.00 0.00 C HETATM 32 O ABA A 3 5.277 -1.754 6.252 1.00 0.00 O HETATM 33 CB ABA A 3 2.796 0.430 7.141 1.00 0.00 C HETATM 34 CG ABA A 3 1.437 0.253 7.826 1.00 0.00 C HETATM 0 HN2 ABA A 3 1.062 -1.259 5.655 1.00 0.00 H new HETATM 0 HG3 ABA A 3 1.449 -0.655 8.430 1.00 0.00 H new HETATM 0 HG2 ABA A 3 0.656 0.175 7.070 1.00 0.00 H new HETATM 0 HG1 ABA A 3 1.238 1.112 8.467 1.00 0.00 H new HETATM 0 HB3 ABA A 3 2.795 1.350 6.556 1.00 0.00 H new HETATM 0 HB2 ABA A 3 3.576 0.533 7.895 1.00 0.00 H new HETATM 0 HA ABA A 3 3.405 -0.386 5.247 1.00 0.00 H new ATOM 42 N GLU A 4 4.067 -2.052 8.026 1.00 0.00 N ATOM 43 CA GLU A 4 5.142 -2.855 8.672 1.00 0.00 C ATOM 44 C GLU A 4 5.804 -3.772 7.635 1.00 0.00 C ATOM 45 O GLU A 4 6.961 -4.118 7.749 1.00 0.00 O ATOM 46 CB GLU A 4 4.528 -3.704 9.768 1.00 0.00 C ATOM 47 CG GLU A 4 5.399 -3.633 11.022 1.00 0.00 C ATOM 48 CD GLU A 4 4.664 -4.286 12.195 1.00 0.00 C ATOM 49 OE1 GLU A 4 3.445 -4.270 12.185 1.00 0.00 O ATOM 50 OE2 GLU A 4 5.334 -4.789 13.082 1.00 0.00 O ATOM 0 H GLU A 4 3.220 -1.932 8.582 1.00 0.00 H new ATOM 0 HA GLU A 4 5.894 -2.186 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.521 -3.353 9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.438 -4.738 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.348 -4.140 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.631 -2.594 11.258 1.00 0.00 H new ATOM 57 N GLN A 5 5.074 -4.161 6.621 1.00 0.00 N ATOM 58 CA GLN A 5 5.652 -5.047 5.568 1.00 0.00 C ATOM 59 C GLN A 5 5.945 -4.210 4.317 1.00 0.00 C ATOM 60 O GLN A 5 7.033 -4.235 3.776 1.00 0.00 O ATOM 61 CB GLN A 5 4.643 -6.145 5.223 1.00 0.00 C ATOM 62 CG GLN A 5 5.370 -7.478 5.043 1.00 0.00 C ATOM 63 CD GLN A 5 4.342 -8.604 4.927 1.00 0.00 C ATOM 64 OE1 GLN A 5 4.326 -9.516 5.730 1.00 0.00 O ATOM 65 NE2 GLN A 5 3.474 -8.577 3.953 1.00 0.00 N ATOM 0 H GLN A 5 4.098 -3.901 6.477 1.00 0.00 H new ATOM 0 HA GLN A 5 6.574 -5.502 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.899 -6.230 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.108 -5.886 4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.994 -7.447 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.033 -7.661 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.487 -7.812 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.782 -9.321 3.866 1.00 0.00 H new ATOM 74 N CYS A 6 4.976 -3.455 3.865 1.00 0.00 N ATOM 75 CA CYS A 6 5.164 -2.594 2.670 1.00 0.00 C ATOM 76 C CYS A 6 5.978 -1.356 3.072 1.00 0.00 C ATOM 77 O CYS A 6 6.257 -0.491 2.265 1.00 0.00 O ATOM 78 CB CYS A 6 3.780 -2.156 2.185 1.00 0.00 C ATOM 79 SG CYS A 6 2.909 -3.560 1.449 1.00 0.00 S ATOM 0 H CYS A 6 4.048 -3.402 4.285 1.00 0.00 H new ATOM 0 HA CYS A 6 5.690 -3.133 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.203 -1.756 3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.879 -1.355 1.453 1.00 0.00 H new ATOM 84 N CYS A 7 6.342 -1.268 4.324 1.00 0.00 N ATOM 85 CA CYS A 7 7.119 -0.099 4.823 1.00 0.00 C ATOM 86 C CYS A 7 8.503 -0.560 5.284 1.00 0.00 C ATOM 87 O CYS A 7 9.461 0.186 5.239 1.00 0.00 O ATOM 88 CB CYS A 7 6.386 0.535 6.009 1.00 0.00 C ATOM 89 SG CYS A 7 7.179 2.107 6.444 1.00 0.00 S ATOM 0 H CYS A 7 6.129 -1.970 5.033 1.00 0.00 H new ATOM 0 HA CYS A 7 7.223 0.630 4.019 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.339 0.702 5.755 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.403 -0.141 6.864 1.00 0.00 H new ATOM 94 N THR A 8 8.619 -1.783 5.732 1.00 0.00 N ATOM 95 CA THR A 8 9.944 -2.278 6.198 1.00 0.00 C ATOM 96 C THR A 8 10.586 -3.114 5.095 1.00 0.00 C ATOM 97 O THR A 8 11.788 -3.285 5.048 1.00 0.00 O ATOM 98 CB THR A 8 9.754 -3.138 7.446 1.00 0.00 C ATOM 99 OG1 THR A 8 9.166 -4.378 7.078 1.00 0.00 O ATOM 100 CG2 THR A 8 8.841 -2.408 8.432 1.00 0.00 C ATOM 0 H THR A 8 7.856 -2.457 5.794 1.00 0.00 H new ATOM 0 HA THR A 8 10.589 -1.432 6.436 1.00 0.00 H new ATOM 0 HB THR A 8 10.720 -3.321 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.199 -4.263 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.704 -3.020 9.323 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.294 -1.457 8.711 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.873 -2.226 7.965 1.00 0.00 H new ATOM 108 N SER A 9 9.792 -3.629 4.201 1.00 0.00 N ATOM 109 CA SER A 9 10.353 -4.447 3.092 1.00 0.00 C ATOM 110 C SER A 9 9.998 -3.774 1.762 1.00 0.00 C ATOM 111 O SER A 9 10.209 -2.590 1.590 1.00 0.00 O ATOM 112 CB SER A 9 9.768 -5.862 3.151 1.00 0.00 C ATOM 113 OG SER A 9 9.709 -6.290 4.505 1.00 0.00 O ATOM 0 H SER A 9 8.778 -3.519 4.190 1.00 0.00 H new ATOM 0 HA SER A 9 11.437 -4.519 3.184 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.771 -5.874 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.383 -6.547 2.568 1.00 0.00 H new ATOM 0 HG SER A 9 9.334 -7.194 4.546 1.00 0.00 H new ATOM 119 N ILE A 10 9.459 -4.501 0.822 1.00 0.00 N ATOM 120 CA ILE A 10 9.098 -3.875 -0.479 1.00 0.00 C ATOM 121 C ILE A 10 7.664 -4.271 -0.846 1.00 0.00 C ATOM 122 O ILE A 10 7.165 -5.295 -0.422 1.00 0.00 O ATOM 123 CB ILE A 10 10.073 -4.362 -1.563 1.00 0.00 C ATOM 124 CG1 ILE A 10 11.299 -3.453 -1.590 1.00 0.00 C ATOM 125 CG2 ILE A 10 9.395 -4.329 -2.936 1.00 0.00 C ATOM 126 CD1 ILE A 10 12.408 -4.064 -0.733 1.00 0.00 C ATOM 0 H ILE A 10 9.254 -5.497 0.899 1.00 0.00 H new ATOM 0 HA ILE A 10 9.162 -2.790 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 10 10.373 -5.385 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.647 -3.324 -2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.039 -2.463 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.095 -4.676 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.520 -4.979 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.087 -3.309 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.283 -3.414 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.058 -4.170 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.675 -5.044 -1.128 1.00 0.00 H new ATOM 138 N CYS A 11 7.000 -3.476 -1.642 1.00 0.00 N ATOM 139 CA CYS A 11 5.602 -3.831 -2.036 1.00 0.00 C ATOM 140 C CYS A 11 5.317 -3.357 -3.462 1.00 0.00 C ATOM 141 O CYS A 11 5.460 -2.196 -3.789 1.00 0.00 O ATOM 142 CB CYS A 11 4.615 -3.214 -1.053 1.00 0.00 C ATOM 143 SG CYS A 11 4.282 -4.428 0.252 1.00 0.00 S ATOM 0 H CYS A 11 7.358 -2.605 -2.034 1.00 0.00 H new ATOM 0 HA CYS A 11 5.487 -4.915 -2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.026 -2.299 -0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.691 -2.941 -1.563 1.00 0.00 H new ATOM 148 N SER A 12 4.927 -4.269 -4.315 1.00 0.00 N ATOM 149 CA SER A 12 4.645 -3.912 -5.735 1.00 0.00 C ATOM 150 C SER A 12 3.270 -3.264 -5.863 1.00 0.00 C ATOM 151 O SER A 12 2.398 -3.432 -5.034 1.00 0.00 O ATOM 152 CB SER A 12 4.685 -5.180 -6.586 1.00 0.00 C ATOM 153 OG SER A 12 4.494 -6.313 -5.748 1.00 0.00 O ATOM 0 H SER A 12 4.791 -5.253 -4.085 1.00 0.00 H new ATOM 0 HA SER A 12 5.399 -3.203 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.909 -5.144 -7.351 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.641 -5.254 -7.105 1.00 0.00 H new ATOM 0 HG SER A 12 4.517 -7.129 -6.291 1.00 0.00 H new ATOM 159 N LEU A 13 3.092 -2.512 -6.910 1.00 0.00 N ATOM 160 CA LEU A 13 1.800 -1.812 -7.150 1.00 0.00 C ATOM 161 C LEU A 13 0.640 -2.805 -7.212 1.00 0.00 C ATOM 162 O LEU A 13 -0.512 -2.422 -7.155 1.00 0.00 O ATOM 163 CB LEU A 13 1.887 -1.066 -8.481 1.00 0.00 C ATOM 164 CG LEU A 13 1.838 -2.084 -9.624 1.00 0.00 C ATOM 165 CD1 LEU A 13 1.634 -1.365 -10.949 1.00 0.00 C ATOM 166 CD2 LEU A 13 3.146 -2.872 -9.679 1.00 0.00 C ATOM 0 H LEU A 13 3.801 -2.349 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 13 1.619 -1.120 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.063 -0.358 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.810 -0.488 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 13 1.008 -2.768 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.600 -2.095 -11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.696 -0.810 -10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.459 -0.674 -11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.102 -3.594 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.977 -2.187 -9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.293 -3.399 -8.736 1.00 0.00 H new ATOM 178 N TYR A 14 0.914 -4.070 -7.321 1.00 0.00 N ATOM 179 CA TYR A 14 -0.202 -5.043 -7.379 1.00 0.00 C ATOM 180 C TYR A 14 -0.286 -5.682 -6.018 1.00 0.00 C ATOM 181 O TYR A 14 -1.344 -6.003 -5.515 1.00 0.00 O ATOM 182 CB TYR A 14 0.070 -6.085 -8.467 1.00 0.00 C ATOM 183 CG TYR A 14 -0.842 -7.274 -8.281 1.00 0.00 C ATOM 184 CD1 TYR A 14 -0.474 -8.313 -7.415 1.00 0.00 C ATOM 185 CD2 TYR A 14 -2.056 -7.341 -8.979 1.00 0.00 C ATOM 186 CE1 TYR A 14 -1.320 -9.417 -7.246 1.00 0.00 C ATOM 187 CE2 TYR A 14 -2.902 -8.445 -8.809 1.00 0.00 C ATOM 188 CZ TYR A 14 -2.534 -9.483 -7.942 1.00 0.00 C ATOM 189 OH TYR A 14 -3.369 -10.570 -7.775 1.00 0.00 O ATOM 0 H TYR A 14 1.852 -4.469 -7.372 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.146 -4.559 -7.630 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.088 -5.645 -9.452 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.111 -6.404 -8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.462 -8.263 -6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.339 -6.542 -9.648 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.036 -10.217 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.838 -8.496 -9.346 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.169 -10.456 -8.330 1.00 0.00 H new ATOM 199 N GLN A 15 0.835 -5.796 -5.394 1.00 0.00 N ATOM 200 CA GLN A 15 0.865 -6.329 -4.030 1.00 0.00 C ATOM 201 C GLN A 15 0.096 -5.337 -3.177 1.00 0.00 C ATOM 202 O GLN A 15 -0.635 -5.688 -2.272 1.00 0.00 O ATOM 203 CB GLN A 15 2.320 -6.376 -3.584 1.00 0.00 C ATOM 204 CG GLN A 15 2.831 -7.813 -3.621 1.00 0.00 C ATOM 205 CD GLN A 15 2.875 -8.380 -2.201 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.989 -7.988 -1.327 1.00 0.00 O flip ATOM 207 NE2 GLN A 15 3.726 -9.186 -1.883 1.00 0.00 N flip ATOM 0 H GLN A 15 1.744 -5.538 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 15 0.432 -7.326 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.929 -5.748 -4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.413 -5.974 -2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.181 -8.424 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.825 -7.845 -4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.419 -9.493 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.748 -9.556 -0.933 1.00 0.00 H new ATOM 216 N LEU A 16 0.238 -4.084 -3.510 1.00 0.00 N ATOM 217 CA LEU A 16 -0.483 -3.025 -2.780 1.00 0.00 C ATOM 218 C LEU A 16 -1.881 -2.938 -3.363 1.00 0.00 C ATOM 219 O LEU A 16 -2.812 -2.474 -2.734 1.00 0.00 O ATOM 220 CB LEU A 16 0.281 -1.720 -2.964 1.00 0.00 C ATOM 221 CG LEU A 16 1.683 -1.913 -2.378 1.00 0.00 C ATOM 222 CD1 LEU A 16 2.449 -0.593 -2.378 1.00 0.00 C ATOM 223 CD2 LEU A 16 1.561 -2.433 -0.945 1.00 0.00 C ATOM 0 H LEU A 16 0.833 -3.753 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.557 -3.234 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.341 -1.458 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.234 -0.901 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 16 2.228 -2.632 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.443 -0.749 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.540 -0.225 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.912 0.139 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.556 -2.572 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.009 -1.712 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.031 -3.386 -0.947 1.00 0.00 H new ATOM 235 N GLU A 17 -2.035 -3.422 -4.559 1.00 0.00 N ATOM 236 CA GLU A 17 -3.363 -3.421 -5.195 1.00 0.00 C ATOM 237 C GLU A 17 -4.232 -4.464 -4.490 1.00 0.00 C ATOM 238 O GLU A 17 -5.448 -4.378 -4.479 1.00 0.00 O ATOM 239 CB GLU A 17 -3.205 -3.790 -6.671 1.00 0.00 C ATOM 240 CG GLU A 17 -4.567 -3.738 -7.364 1.00 0.00 C ATOM 241 CD GLU A 17 -4.846 -5.079 -8.044 1.00 0.00 C ATOM 242 OE1 GLU A 17 -4.165 -5.385 -9.009 1.00 0.00 O ATOM 243 OE2 GLU A 17 -5.735 -5.779 -7.588 1.00 0.00 O ATOM 0 H GLU A 17 -1.286 -3.821 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.828 -2.438 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.513 -3.101 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.778 -4.789 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.349 -3.518 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.581 -2.935 -8.101 1.00 0.00 H new ATOM 250 N ASN A 18 -3.613 -5.453 -3.891 1.00 0.00 N ATOM 251 CA ASN A 18 -4.406 -6.507 -3.193 1.00 0.00 C ATOM 252 C ASN A 18 -4.899 -5.987 -1.842 1.00 0.00 C ATOM 253 O ASN A 18 -5.475 -6.718 -1.061 1.00 0.00 O ATOM 254 CB ASN A 18 -3.533 -7.745 -2.976 1.00 0.00 C ATOM 255 CG ASN A 18 -4.204 -8.959 -3.621 1.00 0.00 C ATOM 256 OD1 ASN A 18 -4.856 -9.735 -2.950 1.00 0.00 O ATOM 257 ND2 ASN A 18 -4.074 -9.157 -4.904 1.00 0.00 N ATOM 0 H ASN A 18 -2.601 -5.574 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.267 -6.769 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.546 -7.588 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.388 -7.919 -1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.519 -9.963 -5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.527 -8.506 -5.468 1.00 0.00 H new ATOM 264 N TYR A 19 -4.676 -4.735 -1.554 1.00 0.00 N ATOM 265 CA TYR A 19 -5.134 -4.186 -0.250 1.00 0.00 C ATOM 266 C TYR A 19 -6.365 -3.297 -0.453 1.00 0.00 C ATOM 267 O TYR A 19 -6.749 -2.554 0.430 1.00 0.00 O ATOM 268 CB TYR A 19 -4.005 -3.369 0.376 1.00 0.00 C ATOM 269 CG TYR A 19 -2.946 -4.306 0.907 1.00 0.00 C ATOM 270 CD1 TYR A 19 -2.020 -4.888 0.030 1.00 0.00 C ATOM 271 CD2 TYR A 19 -2.891 -4.597 2.277 1.00 0.00 C ATOM 272 CE1 TYR A 19 -1.040 -5.760 0.524 1.00 0.00 C ATOM 273 CE2 TYR A 19 -1.911 -5.470 2.770 1.00 0.00 C ATOM 274 CZ TYR A 19 -0.985 -6.051 1.893 1.00 0.00 C ATOM 275 OH TYR A 19 -0.020 -6.910 2.378 1.00 0.00 O ATOM 0 H TYR A 19 -4.198 -4.071 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.403 -5.009 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.573 -2.696 -0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.394 -2.747 1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.062 -4.665 -1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.604 -4.149 2.953 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.327 -6.208 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.870 -5.695 3.826 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.122 -7.002 3.348 1.00 0.00 H new ATOM 285 N CYS A 20 -6.996 -3.361 -1.598 1.00 0.00 N ATOM 286 CA CYS A 20 -8.204 -2.509 -1.812 1.00 0.00 C ATOM 287 C CYS A 20 -9.352 -3.039 -0.950 1.00 0.00 C ATOM 288 O CYS A 20 -9.186 -3.970 -0.188 1.00 0.00 O ATOM 289 CB CYS A 20 -8.610 -2.531 -3.289 1.00 0.00 C ATOM 290 SG CYS A 20 -7.167 -2.147 -4.305 1.00 0.00 S ATOM 0 H CYS A 20 -6.732 -3.957 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.976 -1.482 -1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.007 -3.511 -3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.402 -1.805 -3.472 1.00 0.00 H new ATOM 295 N ASN A 21 -10.514 -2.452 -1.057 1.00 0.00 N ATOM 296 CA ASN A 21 -11.666 -2.925 -0.236 1.00 0.00 C ATOM 297 C ASN A 21 -11.702 -4.455 -0.240 1.00 0.00 C ATOM 298 O ASN A 21 -11.502 -5.029 -1.298 1.00 0.00 O ATOM 299 CB ASN A 21 -12.973 -2.385 -0.823 1.00 0.00 C ATOM 300 CG ASN A 21 -13.816 -1.767 0.295 1.00 0.00 C ATOM 301 OD1 ASN A 21 -14.757 -2.373 0.767 1.00 0.00 O ATOM 302 ND2 ASN A 21 -13.515 -0.578 0.739 1.00 0.00 N ATOM 303 OXT ASN A 21 -11.927 -5.026 0.814 1.00 0.00 O ATOM 0 H ASN A 21 -10.715 -1.667 -1.676 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.552 -2.565 0.786 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.760 -1.638 -1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.526 -3.189 -1.308 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.070 -0.156 1.483 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.725 -0.070 0.342 1.00 0.00 H new TER 310 ASN A 21 ATOM 311 N PHE B 1 5.988 -0.241 -10.403 1.00 0.00 N ATOM 312 CA PHE B 1 6.716 0.451 -9.302 1.00 0.00 C ATOM 313 C PHE B 1 8.165 -0.038 -9.259 1.00 0.00 C ATOM 314 O PHE B 1 8.610 -0.770 -10.121 1.00 0.00 O ATOM 315 CB PHE B 1 6.036 0.143 -7.965 1.00 0.00 C ATOM 316 CG PHE B 1 5.688 1.435 -7.266 1.00 0.00 C ATOM 317 CD1 PHE B 1 5.203 2.523 -8.004 1.00 0.00 C ATOM 318 CD2 PHE B 1 5.848 1.544 -5.879 1.00 0.00 C ATOM 319 CE1 PHE B 1 4.881 3.722 -7.354 1.00 0.00 C ATOM 320 CE2 PHE B 1 5.525 2.742 -5.229 1.00 0.00 C ATOM 321 CZ PHE B 1 5.041 3.831 -5.965 1.00 0.00 C ATOM 0 H1 PHE B 1 5.003 0.092 -10.431 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.451 -0.031 -11.311 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.001 -1.268 -10.237 1.00 0.00 H new ATOM 0 HA PHE B 1 6.700 1.526 -9.479 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.135 -0.447 -8.131 1.00 0.00 H new ATOM 0 HB3 PHE B 1 6.697 -0.455 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.077 2.438 -9.073 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.220 0.705 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.510 4.562 -7.923 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.649 2.826 -4.159 1.00 0.00 H new ATOM 0 HZ PHE B 1 4.791 4.754 -5.463 1.00 0.00 H new ATOM 333 N VAL B 2 8.902 0.360 -8.260 1.00 0.00 N ATOM 334 CA VAL B 2 10.321 -0.079 -8.154 1.00 0.00 C ATOM 335 C VAL B 2 10.436 -1.126 -7.043 1.00 0.00 C ATOM 336 O VAL B 2 9.454 -1.712 -6.631 1.00 0.00 O ATOM 337 CB VAL B 2 11.198 1.133 -7.826 1.00 0.00 C ATOM 338 CG1 VAL B 2 11.305 2.033 -9.056 1.00 0.00 C ATOM 339 CG2 VAL B 2 10.568 1.921 -6.675 1.00 0.00 C ATOM 0 H VAL B 2 8.581 0.972 -7.510 1.00 0.00 H new ATOM 0 HA VAL B 2 10.652 -0.515 -9.096 1.00 0.00 H new ATOM 0 HB VAL B 2 12.192 0.793 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.929 2.896 -8.823 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.752 1.474 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.311 2.373 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.191 2.784 -6.441 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.574 2.260 -6.967 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.489 1.281 -5.796 1.00 0.00 H new ATOM 349 N ASN B 3 11.619 -1.362 -6.543 1.00 0.00 N ATOM 350 CA ASN B 3 11.779 -2.362 -5.454 1.00 0.00 C ATOM 351 C ASN B 3 12.186 -1.632 -4.184 1.00 0.00 C ATOM 352 O ASN B 3 13.267 -1.810 -3.658 1.00 0.00 O ATOM 353 CB ASN B 3 12.849 -3.377 -5.835 1.00 0.00 C ATOM 354 CG ASN B 3 14.107 -2.653 -6.319 1.00 0.00 C ATOM 355 OD1 ASN B 3 14.399 -2.657 -7.591 1.00 0.00 O flip ATOM 356 ND2 ASN B 3 14.834 -2.079 -5.531 1.00 0.00 N flip ATOM 0 H ASN B 3 12.480 -0.905 -6.843 1.00 0.00 H new ATOM 0 HA ASN B 3 10.840 -2.891 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.088 -4.005 -4.977 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.475 -4.036 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.607 -2.075 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.671 -1.601 -5.864 1.00 0.00 H new ATOM 363 N GLN B 4 11.324 -0.791 -3.711 1.00 0.00 N ATOM 364 CA GLN B 4 11.627 -0.002 -2.494 1.00 0.00 C ATOM 365 C GLN B 4 10.525 -0.202 -1.444 1.00 0.00 C ATOM 366 O GLN B 4 9.539 -0.893 -1.668 1.00 0.00 O ATOM 367 CB GLN B 4 11.700 1.471 -2.890 1.00 0.00 C ATOM 368 CG GLN B 4 12.658 2.206 -1.958 1.00 0.00 C ATOM 369 CD GLN B 4 13.070 3.533 -2.593 1.00 0.00 C ATOM 370 OE1 GLN B 4 14.244 3.815 -2.732 1.00 0.00 O ATOM 371 NE2 GLN B 4 12.147 4.366 -2.986 1.00 0.00 N ATOM 0 H GLN B 4 10.407 -0.612 -4.121 1.00 0.00 H new ATOM 0 HA GLN B 4 12.574 -0.329 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.038 1.564 -3.922 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.709 1.921 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.180 2.385 -0.995 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.539 1.593 -1.768 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.162 4.128 -2.869 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.410 5.255 -3.411 1.00 0.00 H new ATOM 380 N HIS B 5 10.693 0.404 -0.296 1.00 0.00 N ATOM 381 CA HIS B 5 9.682 0.278 0.792 1.00 0.00 C ATOM 382 C HIS B 5 8.581 1.319 0.578 1.00 0.00 C ATOM 383 O HIS B 5 8.414 1.838 -0.505 1.00 0.00 O ATOM 384 CB HIS B 5 10.354 0.514 2.152 1.00 0.00 C ATOM 385 CG HIS B 5 11.822 0.189 2.060 1.00 0.00 C ATOM 386 ND1 HIS B 5 12.259 -1.075 1.724 1.00 0.00 N ATOM 387 CD2 HIS B 5 12.930 0.969 2.247 1.00 0.00 C ATOM 388 CE1 HIS B 5 13.600 -1.028 1.715 1.00 0.00 C ATOM 389 NE2 HIS B 5 14.055 0.202 2.030 1.00 0.00 N ATOM 0 H HIS B 5 11.498 0.987 -0.066 1.00 0.00 H new ATOM 0 HA HIS B 5 9.250 -0.723 0.774 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.221 1.551 2.459 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.882 -0.107 2.914 1.00 0.00 H new ATOM 0 HD1 HIS B 5 11.676 -1.887 1.522 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.925 2.014 2.520 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.236 -1.870 1.484 1.00 0.00 H new ATOM 397 N LEU B 6 7.825 1.621 1.600 1.00 0.00 N ATOM 398 CA LEU B 6 6.722 2.624 1.455 1.00 0.00 C ATOM 399 C LEU B 6 6.292 3.128 2.832 1.00 0.00 C ATOM 400 O LEU B 6 6.697 2.603 3.840 1.00 0.00 O ATOM 401 CB LEU B 6 5.513 1.938 0.807 1.00 0.00 C ATOM 402 CG LEU B 6 4.947 2.716 -0.412 1.00 0.00 C ATOM 403 CD1 LEU B 6 6.028 3.540 -1.118 1.00 0.00 C ATOM 404 CD2 LEU B 6 4.366 1.716 -1.412 1.00 0.00 C ATOM 0 H LEU B 6 7.922 1.217 2.532 1.00 0.00 H new ATOM 0 HA LEU B 6 7.075 3.457 0.846 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.800 0.936 0.488 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.726 1.822 1.553 1.00 0.00 H new ATOM 0 HG LEU B 6 4.182 3.400 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.588 4.068 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.449 4.262 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.817 2.877 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.966 2.253 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.150 1.034 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.568 1.147 -0.936 1.00 0.00 H new ATOM 416 N CYS B 7 5.439 4.121 2.867 1.00 0.00 N ATOM 417 CA CYS B 7 4.935 4.648 4.171 1.00 0.00 C ATOM 418 C CYS B 7 4.407 6.072 3.982 1.00 0.00 C ATOM 419 O CYS B 7 4.876 6.817 3.141 1.00 0.00 O ATOM 420 CB CYS B 7 6.051 4.651 5.220 1.00 0.00 C ATOM 421 SG CYS B 7 5.658 3.434 6.505 1.00 0.00 S ATOM 0 H CYS B 7 5.068 4.592 2.042 1.00 0.00 H new ATOM 0 HA CYS B 7 4.130 4.001 4.519 1.00 0.00 H new ATOM 0 HB2 CYS B 7 7.006 4.411 4.754 1.00 0.00 H new ATOM 0 HB3 CYS B 7 6.152 5.643 5.660 1.00 0.00 H new ATOM 426 N GLY B 8 3.432 6.455 4.760 1.00 0.00 N ATOM 427 CA GLY B 8 2.870 7.828 4.634 1.00 0.00 C ATOM 428 C GLY B 8 2.116 7.963 3.311 1.00 0.00 C ATOM 429 O GLY B 8 1.545 7.014 2.807 1.00 0.00 O ATOM 0 H GLY B 8 3.000 5.874 5.479 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.199 8.033 5.468 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.672 8.564 4.682 1.00 0.00 H new ATOM 433 N SER B 9 2.107 9.138 2.746 1.00 0.00 N ATOM 434 CA SER B 9 1.388 9.338 1.459 1.00 0.00 C ATOM 435 C SER B 9 1.954 8.386 0.407 1.00 0.00 C ATOM 436 O SER B 9 1.274 7.992 -0.519 1.00 0.00 O ATOM 437 CB SER B 9 1.561 10.785 0.993 1.00 0.00 C ATOM 438 OG SER B 9 2.898 10.984 0.551 1.00 0.00 O ATOM 0 H SER B 9 2.567 9.968 3.121 1.00 0.00 H new ATOM 0 HA SER B 9 0.327 9.132 1.600 1.00 0.00 H new ATOM 0 HB2 SER B 9 0.863 11.004 0.185 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.330 11.471 1.808 1.00 0.00 H new ATOM 0 HG SER B 9 3.009 11.910 0.251 1.00 0.00 H new ATOM 444 N ASP B 10 3.191 8.002 0.550 1.00 0.00 N ATOM 445 CA ASP B 10 3.796 7.066 -0.439 1.00 0.00 C ATOM 446 C ASP B 10 2.978 5.779 -0.461 1.00 0.00 C ATOM 447 O ASP B 10 2.716 5.210 -1.505 1.00 0.00 O ATOM 448 CB ASP B 10 5.237 6.747 -0.031 1.00 0.00 C ATOM 449 CG ASP B 10 6.007 8.050 0.198 1.00 0.00 C ATOM 450 OD1 ASP B 10 6.122 8.820 -0.741 1.00 0.00 O ATOM 451 OD2 ASP B 10 6.470 8.254 1.308 1.00 0.00 O ATOM 0 H ASP B 10 3.809 8.295 1.307 1.00 0.00 H new ATOM 0 HA ASP B 10 3.797 7.524 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.243 6.145 0.877 1.00 0.00 H new ATOM 0 HB3 ASP B 10 5.723 6.157 -0.808 1.00 0.00 H new ATOM 456 N LEU B 11 2.571 5.317 0.685 1.00 0.00 N ATOM 457 CA LEU B 11 1.771 4.067 0.740 1.00 0.00 C ATOM 458 C LEU B 11 0.385 4.315 0.155 1.00 0.00 C ATOM 459 O LEU B 11 -0.146 3.489 -0.560 1.00 0.00 O ATOM 460 CB LEU B 11 1.651 3.606 2.195 1.00 0.00 C ATOM 461 CG LEU B 11 1.136 2.162 2.255 1.00 0.00 C ATOM 462 CD1 LEU B 11 1.797 1.314 1.163 1.00 0.00 C ATOM 463 CD2 LEU B 11 1.480 1.570 3.620 1.00 0.00 C ATOM 0 H LEU B 11 2.759 5.753 1.588 1.00 0.00 H new ATOM 0 HA LEU B 11 2.266 3.291 0.156 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.622 3.674 2.686 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.972 4.264 2.737 1.00 0.00 H new ATOM 0 HG LEU B 11 0.057 2.162 2.100 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.421 0.292 1.219 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.563 1.734 0.185 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.877 1.312 1.308 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.118 0.543 3.673 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.561 1.581 3.760 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.007 2.162 4.403 1.00 0.00 H new ATOM 475 N VAL B 12 -0.210 5.441 0.432 1.00 0.00 N ATOM 476 CA VAL B 12 -1.557 5.703 -0.139 1.00 0.00 C ATOM 477 C VAL B 12 -1.396 6.059 -1.618 1.00 0.00 C ATOM 478 O VAL B 12 -2.203 5.687 -2.444 1.00 0.00 O ATOM 479 CB VAL B 12 -2.260 6.834 0.637 1.00 0.00 C ATOM 480 CG1 VAL B 12 -1.705 6.896 2.058 1.00 0.00 C ATOM 481 CG2 VAL B 12 -2.042 8.190 -0.046 1.00 0.00 C ATOM 0 H VAL B 12 0.172 6.181 1.021 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.182 4.814 -0.050 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.329 6.622 0.657 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.201 7.696 2.608 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.883 5.945 2.560 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.633 7.092 2.022 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.549 8.970 0.523 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.975 8.408 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.447 8.157 -1.057 1.00 0.00 H new ATOM 491 N GLU B 13 -0.347 6.759 -1.961 1.00 0.00 N ATOM 492 CA GLU B 13 -0.135 7.111 -3.390 1.00 0.00 C ATOM 493 C GLU B 13 -0.241 5.825 -4.215 1.00 0.00 C ATOM 494 O GLU B 13 -0.725 5.824 -5.331 1.00 0.00 O ATOM 495 CB GLU B 13 1.251 7.770 -3.559 1.00 0.00 C ATOM 496 CG GLU B 13 2.280 6.769 -4.106 1.00 0.00 C ATOM 497 CD GLU B 13 3.663 7.422 -4.134 1.00 0.00 C ATOM 498 OE1 GLU B 13 3.727 8.611 -4.395 1.00 0.00 O ATOM 499 OE2 GLU B 13 4.633 6.721 -3.897 1.00 0.00 O ATOM 0 H GLU B 13 0.366 7.099 -1.316 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.886 7.822 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.172 8.621 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.592 8.157 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.301 5.875 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.996 6.451 -5.109 1.00 0.00 H new ATOM 506 N ALA B 14 0.189 4.725 -3.656 1.00 0.00 N ATOM 507 CA ALA B 14 0.096 3.435 -4.383 1.00 0.00 C ATOM 508 C ALA B 14 -1.290 2.856 -4.129 1.00 0.00 C ATOM 509 O ALA B 14 -2.034 2.568 -5.046 1.00 0.00 O ATOM 510 CB ALA B 14 1.164 2.470 -3.864 1.00 0.00 C ATOM 0 H ALA B 14 0.601 4.669 -2.725 1.00 0.00 H new ATOM 0 HA ALA B 14 0.256 3.586 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.092 1.524 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.152 2.902 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.010 2.295 -2.799 1.00 0.00 H new ATOM 516 N LEU B 15 -1.655 2.700 -2.884 1.00 0.00 N ATOM 517 CA LEU B 15 -2.997 2.161 -2.579 1.00 0.00 C ATOM 518 C LEU B 15 -4.029 2.932 -3.402 1.00 0.00 C ATOM 519 O LEU B 15 -4.941 2.361 -3.967 1.00 0.00 O ATOM 520 CB LEU B 15 -3.279 2.334 -1.085 1.00 0.00 C ATOM 521 CG LEU B 15 -2.356 1.409 -0.266 1.00 0.00 C ATOM 522 CD1 LEU B 15 -3.002 1.121 1.081 1.00 0.00 C ATOM 523 CD2 LEU B 15 -2.105 0.075 -0.995 1.00 0.00 C ATOM 0 H LEU B 15 -1.079 2.924 -2.073 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.049 1.101 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.119 3.372 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.323 2.101 -0.874 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.400 1.915 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.353 0.467 1.663 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.153 2.057 1.620 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.964 0.633 0.926 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.451 -0.553 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.054 -0.437 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.632 0.270 -1.958 1.00 0.00 H new ATOM 535 N TYR B 16 -3.883 4.229 -3.483 1.00 0.00 N ATOM 536 CA TYR B 16 -4.849 5.039 -4.280 1.00 0.00 C ATOM 537 C TYR B 16 -4.804 4.597 -5.744 1.00 0.00 C ATOM 538 O TYR B 16 -5.817 4.293 -6.341 1.00 0.00 O ATOM 539 CB TYR B 16 -4.477 6.523 -4.198 1.00 0.00 C ATOM 540 CG TYR B 16 -5.699 7.322 -3.820 1.00 0.00 C ATOM 541 CD1 TYR B 16 -6.943 6.993 -4.373 1.00 0.00 C ATOM 542 CD2 TYR B 16 -5.591 8.391 -2.921 1.00 0.00 C ATOM 543 CE1 TYR B 16 -8.081 7.733 -4.029 1.00 0.00 C ATOM 544 CE2 TYR B 16 -6.730 9.133 -2.577 1.00 0.00 C ATOM 545 CZ TYR B 16 -7.975 8.803 -3.130 1.00 0.00 C ATOM 546 OH TYR B 16 -9.097 9.532 -2.794 1.00 0.00 O ATOM 0 H TYR B 16 -3.138 4.761 -3.032 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.851 4.890 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.688 6.672 -3.461 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.086 6.865 -5.156 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -7.025 6.168 -5.065 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.632 8.643 -2.494 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -9.040 7.479 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.648 9.959 -1.886 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.851 10.237 -2.159 1.00 0.00 H new ATOM 556 N LEU B 17 -3.638 4.568 -6.329 1.00 0.00 N ATOM 557 CA LEU B 17 -3.532 4.156 -7.758 1.00 0.00 C ATOM 558 C LEU B 17 -3.867 2.674 -7.898 1.00 0.00 C ATOM 559 O LEU B 17 -4.640 2.277 -8.747 1.00 0.00 O ATOM 560 CB LEU B 17 -2.101 4.407 -8.256 1.00 0.00 C ATOM 561 CG LEU B 17 -2.097 4.825 -9.739 1.00 0.00 C ATOM 562 CD1 LEU B 17 -3.280 4.196 -10.484 1.00 0.00 C ATOM 563 CD2 LEU B 17 -2.182 6.351 -9.841 1.00 0.00 C ATOM 0 H LEU B 17 -2.755 4.811 -5.880 1.00 0.00 H new ATOM 0 HA LEU B 17 -4.235 4.739 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.634 5.186 -7.654 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.504 3.504 -8.127 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.172 4.474 -10.196 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -3.257 4.505 -11.529 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -3.211 3.110 -10.425 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -4.214 4.526 -10.028 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -2.179 6.646 -10.890 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -3.102 6.697 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -1.325 6.798 -9.336 1.00 0.00 H new ATOM 575 N VAL B 18 -3.288 1.856 -7.074 1.00 0.00 N ATOM 576 CA VAL B 18 -3.562 0.394 -7.156 1.00 0.00 C ATOM 577 C VAL B 18 -5.050 0.139 -6.918 1.00 0.00 C ATOM 578 O VAL B 18 -5.624 -0.792 -7.448 1.00 0.00 O ATOM 579 CB VAL B 18 -2.734 -0.344 -6.100 1.00 0.00 C ATOM 580 CG1 VAL B 18 -1.330 0.247 -6.052 1.00 0.00 C ATOM 581 CG2 VAL B 18 -3.384 -0.187 -4.726 1.00 0.00 C ATOM 0 H VAL B 18 -2.633 2.134 -6.343 1.00 0.00 H new ATOM 0 HA VAL B 18 -3.288 0.028 -8.146 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.685 -1.401 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -0.740 -0.278 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.856 0.138 -7.027 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.389 1.304 -5.794 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -2.790 -0.714 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -3.436 0.870 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -4.390 -0.605 -4.750 1.00 0.00 H new ATOM 591 N CYS B 19 -5.677 0.955 -6.119 1.00 0.00 N ATOM 592 CA CYS B 19 -7.122 0.756 -5.842 1.00 0.00 C ATOM 593 C CYS B 19 -7.936 1.828 -6.565 1.00 0.00 C ATOM 594 O CYS B 19 -8.559 1.575 -7.577 1.00 0.00 O ATOM 595 CB CYS B 19 -7.366 0.864 -4.337 1.00 0.00 C ATOM 596 SG CYS B 19 -6.454 -0.446 -3.487 1.00 0.00 S ATOM 0 H CYS B 19 -5.249 1.751 -5.646 1.00 0.00 H new ATOM 0 HA CYS B 19 -7.427 -0.229 -6.195 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.045 1.840 -3.974 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.431 0.779 -4.123 1.00 0.00 H new ATOM 601 N GLY B 20 -7.934 3.027 -6.051 1.00 0.00 N ATOM 602 CA GLY B 20 -8.708 4.119 -6.703 1.00 0.00 C ATOM 603 C GLY B 20 -10.134 4.141 -6.145 1.00 0.00 C ATOM 604 O GLY B 20 -10.361 4.511 -5.010 1.00 0.00 O ATOM 0 H GLY B 20 -7.429 3.297 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -8.222 5.079 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -8.731 3.968 -7.782 1.00 0.00 H new ATOM 608 N GLU B 21 -11.098 3.753 -6.937 1.00 0.00 N ATOM 609 CA GLU B 21 -12.510 3.760 -6.455 1.00 0.00 C ATOM 610 C GLU B 21 -12.752 2.581 -5.504 1.00 0.00 C ATOM 611 O GLU B 21 -13.760 2.524 -4.827 1.00 0.00 O ATOM 612 CB GLU B 21 -13.459 3.652 -7.652 1.00 0.00 C ATOM 613 CG GLU B 21 -14.594 4.671 -7.504 1.00 0.00 C ATOM 614 CD GLU B 21 -15.617 4.464 -8.624 1.00 0.00 C ATOM 615 OE1 GLU B 21 -16.449 3.582 -8.485 1.00 0.00 O ATOM 616 OE2 GLU B 21 -15.553 5.192 -9.601 1.00 0.00 O ATOM 0 H GLU B 21 -10.969 3.432 -7.896 1.00 0.00 H new ATOM 0 HA GLU B 21 -12.696 4.691 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -12.914 3.832 -8.578 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -13.868 2.644 -7.714 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -15.075 4.557 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -14.195 5.684 -7.545 1.00 0.00 H new ATOM 623 N ARG B 22 -11.849 1.637 -5.441 1.00 0.00 N ATOM 624 CA ARG B 22 -12.055 0.480 -4.533 1.00 0.00 C ATOM 625 C ARG B 22 -11.501 0.812 -3.145 1.00 0.00 C ATOM 626 O ARG B 22 -11.429 -0.036 -2.278 1.00 0.00 O ATOM 627 CB ARG B 22 -11.325 -0.734 -5.100 1.00 0.00 C ATOM 628 CG ARG B 22 -12.256 -1.484 -6.053 1.00 0.00 C ATOM 629 CD ARG B 22 -13.093 -2.496 -5.266 1.00 0.00 C ATOM 630 NE ARG B 22 -12.192 -3.388 -4.482 1.00 0.00 N ATOM 631 CZ ARG B 22 -11.842 -4.549 -4.966 1.00 0.00 C ATOM 632 NH1 ARG B 22 -11.423 -4.645 -6.197 1.00 0.00 N ATOM 633 NH2 ARG B 22 -11.910 -5.616 -4.216 1.00 0.00 N ATOM 0 H ARG B 22 -10.982 1.621 -5.979 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.120 0.262 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.425 -0.418 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.007 -1.392 -4.291 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -12.909 -0.780 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.673 -1.996 -6.818 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -13.778 -1.975 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.703 -3.088 -5.949 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.849 -3.092 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.368 -3.812 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.150 -5.553 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.236 -5.542 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.637 -6.523 -4.594 1.00 0.00 H new ATOM 647 N GLY B 23 -11.112 2.040 -2.929 1.00 0.00 N ATOM 648 CA GLY B 23 -10.566 2.429 -1.598 1.00 0.00 C ATOM 649 C GLY B 23 -9.477 1.441 -1.179 1.00 0.00 C ATOM 650 O GLY B 23 -9.204 0.472 -1.861 1.00 0.00 O ATOM 0 H GLY B 23 -11.149 2.791 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.157 3.438 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.364 2.441 -0.856 1.00 0.00 H new ATOM 654 N PHE B 24 -8.850 1.677 -0.061 1.00 0.00 N ATOM 655 CA PHE B 24 -7.781 0.749 0.395 1.00 0.00 C ATOM 656 C PHE B 24 -7.945 0.476 1.890 1.00 0.00 C ATOM 657 O PHE B 24 -8.919 0.869 2.499 1.00 0.00 O ATOM 658 CB PHE B 24 -6.407 1.374 0.137 1.00 0.00 C ATOM 659 CG PHE B 24 -6.504 2.883 0.188 1.00 0.00 C ATOM 660 CD1 PHE B 24 -6.447 3.550 1.419 1.00 0.00 C ATOM 661 CD2 PHE B 24 -6.640 3.615 -0.999 1.00 0.00 C ATOM 662 CE1 PHE B 24 -6.527 4.949 1.463 1.00 0.00 C ATOM 663 CE2 PHE B 24 -6.715 5.013 -0.955 1.00 0.00 C ATOM 664 CZ PHE B 24 -6.658 5.681 0.274 1.00 0.00 C ATOM 0 H PHE B 24 -9.031 2.470 0.554 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.859 -0.188 -0.157 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.693 1.022 0.882 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -6.033 1.059 -0.837 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.341 2.986 2.334 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.687 3.101 -1.948 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.488 5.463 2.412 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.817 5.577 -1.871 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.715 6.759 0.306 1.00 0.00 H new ATOM 674 N PHE B 25 -6.999 -0.199 2.483 1.00 0.00 N ATOM 675 CA PHE B 25 -7.104 -0.500 3.936 1.00 0.00 C ATOM 676 C PHE B 25 -5.838 -0.030 4.659 1.00 0.00 C ATOM 677 O PHE B 25 -5.178 -0.797 5.332 1.00 0.00 O ATOM 678 CB PHE B 25 -7.271 -2.008 4.133 1.00 0.00 C ATOM 679 CG PHE B 25 -8.096 -2.260 5.370 1.00 0.00 C ATOM 680 CD1 PHE B 25 -9.495 -2.228 5.297 1.00 0.00 C ATOM 681 CD2 PHE B 25 -7.463 -2.520 6.593 1.00 0.00 C ATOM 682 CE1 PHE B 25 -10.261 -2.457 6.448 1.00 0.00 C ATOM 683 CE2 PHE B 25 -8.230 -2.749 7.743 1.00 0.00 C ATOM 684 CZ PHE B 25 -9.629 -2.718 7.670 1.00 0.00 C ATOM 0 H PHE B 25 -6.160 -0.554 2.024 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.967 0.022 4.348 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.756 -2.449 3.262 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.295 -2.484 4.229 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.983 -2.027 4.354 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.385 -2.544 6.649 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.339 -2.432 6.392 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.743 -2.949 8.686 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.220 -2.895 8.556 1.00 0.00 H new ATOM 694 N TYR B 26 -5.498 1.225 4.537 1.00 0.00 N ATOM 695 CA TYR B 26 -4.281 1.733 5.233 1.00 0.00 C ATOM 696 C TYR B 26 -4.469 1.549 6.738 1.00 0.00 C ATOM 697 O TYR B 26 -5.568 1.641 7.248 1.00 0.00 O ATOM 698 CB TYR B 26 -4.092 3.219 4.917 1.00 0.00 C ATOM 699 CG TYR B 26 -2.886 3.755 5.654 1.00 0.00 C ATOM 700 CD1 TYR B 26 -1.709 2.998 5.729 1.00 0.00 C ATOM 701 CD2 TYR B 26 -2.946 5.018 6.260 1.00 0.00 C ATOM 702 CE1 TYR B 26 -0.594 3.504 6.411 1.00 0.00 C ATOM 703 CE2 TYR B 26 -1.831 5.523 6.942 1.00 0.00 C ATOM 704 CZ TYR B 26 -0.655 4.766 7.017 1.00 0.00 C ATOM 705 OH TYR B 26 0.445 5.262 7.687 1.00 0.00 O ATOM 0 H TYR B 26 -6.008 1.917 3.988 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.402 1.184 4.897 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.964 3.357 3.843 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.983 3.777 5.206 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -1.661 2.026 5.262 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.852 5.602 6.201 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.313 2.921 6.470 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.878 6.495 7.410 1.00 0.00 H new ATOM 0 HH TYR B 26 0.236 6.149 8.048 1.00 0.00 H new ATOM 715 N THR B 27 -3.416 1.283 7.457 1.00 0.00 N ATOM 716 CA THR B 27 -3.562 1.089 8.926 1.00 0.00 C ATOM 717 C THR B 27 -2.609 2.023 9.672 1.00 0.00 C ATOM 718 O THR B 27 -1.698 2.588 9.101 1.00 0.00 O ATOM 719 CB THR B 27 -3.236 -0.364 9.284 1.00 0.00 C ATOM 720 OG1 THR B 27 -1.830 -0.558 9.233 1.00 0.00 O ATOM 721 CG2 THR B 27 -3.920 -1.303 8.290 1.00 0.00 C ATOM 0 H THR B 27 -2.467 1.192 7.095 1.00 0.00 H new ATOM 0 HA THR B 27 -4.588 1.317 9.217 1.00 0.00 H new ATOM 0 HB THR B 27 -3.597 -0.580 10.290 1.00 0.00 H new ATOM 0 HG1 THR B 27 -1.572 -1.251 9.876 1.00 0.00 H new ATOM 0 HG21 THR B 27 -3.687 -2.336 8.546 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.999 -1.153 8.331 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.562 -1.090 7.283 1.00 0.00 H new ATOM 729 N LYS B 28 -2.813 2.178 10.950 1.00 0.00 N ATOM 730 CA LYS B 28 -1.924 3.060 11.753 1.00 0.00 C ATOM 731 C LYS B 28 -1.937 2.619 13.212 1.00 0.00 C ATOM 732 O LYS B 28 -0.901 2.309 13.766 1.00 0.00 O ATOM 733 CB LYS B 28 -2.404 4.510 11.693 1.00 0.00 C ATOM 734 CG LYS B 28 -1.264 5.409 11.214 1.00 0.00 C ATOM 735 CD LYS B 28 -1.782 6.824 10.912 1.00 0.00 C ATOM 736 CE LYS B 28 -3.119 6.747 10.169 1.00 0.00 C ATOM 737 NZ LYS B 28 -4.238 6.826 11.151 1.00 0.00 N ATOM 0 H LYS B 28 -3.563 1.728 11.475 1.00 0.00 H new ATOM 0 HA LYS B 28 -0.918 2.987 11.340 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -3.255 4.594 11.017 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -2.745 4.832 12.677 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -0.486 5.456 11.976 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -0.809 4.984 10.319 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.905 7.381 11.841 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -1.053 7.366 10.310 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -3.195 7.562 9.449 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -3.181 5.816 9.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -4.943 6.093 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -3.868 6.677 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.685 7.763 11.094 1.00 0.00 H new ATOM 751 N PRO B 29 -3.103 2.645 13.817 1.00 0.00 N ATOM 752 CA PRO B 29 -3.244 2.289 15.231 1.00 0.00 C ATOM 753 C PRO B 29 -3.408 0.775 15.388 1.00 0.00 C ATOM 754 O PRO B 29 -4.367 0.194 14.920 1.00 0.00 O ATOM 755 CB PRO B 29 -4.521 3.019 15.634 1.00 0.00 C ATOM 756 CG PRO B 29 -5.353 3.203 14.345 1.00 0.00 C ATOM 757 CD PRO B 29 -4.386 3.024 13.170 1.00 0.00 C ATOM 0 HA PRO B 29 -2.382 2.561 15.840 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -5.077 2.445 16.375 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -4.289 3.983 16.086 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -6.160 2.472 14.297 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -5.815 4.190 14.320 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.731 2.251 12.483 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -4.286 3.942 12.592 1.00 0.00 H new ATOM 765 N THR B 30 -2.481 0.130 16.041 1.00 0.00 N ATOM 766 CA THR B 30 -2.588 -1.346 16.224 1.00 0.00 C ATOM 767 C THR B 30 -2.392 -2.043 14.876 1.00 0.00 C ATOM 768 O THR B 30 -1.265 -2.399 14.574 1.00 0.00 O ATOM 769 CB THR B 30 -3.971 -1.696 16.779 1.00 0.00 C ATOM 770 OG1 THR B 30 -4.320 -0.769 17.797 1.00 0.00 O ATOM 771 CG2 THR B 30 -3.945 -3.111 17.359 1.00 0.00 C ATOM 772 OXT THR B 30 -3.372 -2.211 14.169 1.00 0.00 O ATOM 0 H THR B 30 -1.654 0.560 16.456 1.00 0.00 H new ATOM 0 HA THR B 30 -1.821 -1.679 16.923 1.00 0.00 H new ATOM 0 HB THR B 30 -4.708 -1.648 15.978 1.00 0.00 H new ATOM 0 HG1 THR B 30 -5.206 -0.991 18.152 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.930 -3.360 17.754 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.678 -3.820 16.576 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.209 -3.162 18.161 1.00 0.00 H new TER 780 THR B 30