USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 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: B 1 PHE N :NH3+ -157:sc= 0.651 (180deg=-0.0834) USER MOD Set 1.2: B 4 GLN : amide:sc= -5.19! C(o=-4.5!,f=-12!) USER MOD Set 2.1: A 1 GLY N :NH3+ -162:sc= -3.08! (180deg=-3.92!) USER MOD Set 2.2: A 19 TYR OH : rot 59:sc= -11.4! USER MOD Single : A 5 GLN : amide:sc= -0.205 K(o=-0.2,f=-2.4!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.496 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.9!) USER MOD Single : A 18 ASN : amide:sc= -0.939 K(o=-0.94,f=-2!) USER MOD Single : A 21 ASN : amide:sc= -4.89 K(o=-4.9,f=-7.3!) USER MOD Single : B 3 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.055) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 150:sc= -0.951 USER MOD Single : B 26 TYR OH : rot 30:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -157:sc= -0.426 (180deg=-1.22) USER MOD Single : B 30 THR OG1 : rot 12:sc= 0.51 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.215 0.873 -0.890 1.00 0.00 N ATOM 2 CA GLY A 1 -2.644 1.011 -1.281 1.00 0.00 C ATOM 3 C GLY A 1 -3.347 2.167 -0.582 1.00 0.00 C ATOM 4 O GLY A 1 -2.741 3.210 -0.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.717 0.293 -1.595 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.776 1.814 -0.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.153 0.415 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.707 1.155 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.168 0.083 -1.052 1.00 0.00 H new ATOM 10 N ILE A 2 -4.646 1.991 -0.303 1.00 0.00 N ATOM 11 CA ILE A 2 -5.479 3.021 0.316 1.00 0.00 C ATOM 12 C ILE A 2 -5.029 4.405 -0.133 1.00 0.00 C ATOM 13 O ILE A 2 -4.324 5.155 0.539 1.00 0.00 O ATOM 14 CB ILE A 2 -5.668 2.891 1.853 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.892 3.943 2.645 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.339 1.486 2.318 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.412 3.672 2.755 1.00 0.00 C ATOM 0 H ILE A 2 -5.147 1.125 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.491 2.857 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.721 3.084 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.037 4.915 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.313 4.009 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.478 1.418 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.999 0.775 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.303 1.254 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.939 4.466 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.253 2.716 3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.973 3.637 1.758 1.00 0.00 H new ATOM 29 N VAL A 3 -5.448 4.660 -1.336 1.00 0.00 N ATOM 30 CA VAL A 3 -5.167 5.880 -2.083 1.00 0.00 C ATOM 31 C VAL A 3 -5.369 7.137 -1.263 1.00 0.00 C ATOM 32 O VAL A 3 -4.442 7.922 -1.078 1.00 0.00 O ATOM 33 CB VAL A 3 -6.068 5.961 -3.332 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.352 5.375 -4.529 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.389 5.238 -3.099 1.00 0.00 C ATOM 0 H VAL A 3 -6.023 4.001 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.115 5.827 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.287 7.010 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.997 5.437 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.434 5.934 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.108 4.331 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.006 5.310 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.195 4.189 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.912 5.697 -2.260 1.00 0.00 H new ATOM 45 N GLU A 4 -6.590 7.332 -0.789 1.00 0.00 N ATOM 46 CA GLU A 4 -6.925 8.515 0.000 1.00 0.00 C ATOM 47 C GLU A 4 -5.789 8.881 0.947 1.00 0.00 C ATOM 48 O GLU A 4 -5.555 10.056 1.225 1.00 0.00 O ATOM 49 CB GLU A 4 -8.209 8.276 0.798 1.00 0.00 C ATOM 50 CG GLU A 4 -9.367 7.770 -0.046 1.00 0.00 C ATOM 51 CD GLU A 4 -10.711 7.990 0.618 1.00 0.00 C ATOM 52 OE1 GLU A 4 -11.245 9.115 0.521 1.00 0.00 O ATOM 53 OE2 GLU A 4 -11.231 7.038 1.237 1.00 0.00 O ATOM 0 H GLU A 4 -7.368 6.688 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.081 9.345 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.005 7.555 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.504 9.207 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.356 8.275 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.232 6.706 -0.241 1.00 0.00 H new ATOM 60 N GLN A 5 -5.079 7.867 1.432 1.00 0.00 N ATOM 61 CA GLN A 5 -3.962 8.092 2.335 1.00 0.00 C ATOM 62 C GLN A 5 -2.642 8.233 1.578 1.00 0.00 C ATOM 63 O GLN A 5 -2.065 9.318 1.509 1.00 0.00 O ATOM 64 CB GLN A 5 -3.872 6.958 3.339 1.00 0.00 C ATOM 65 CG GLN A 5 -5.150 6.752 4.133 1.00 0.00 C ATOM 66 CD GLN A 5 -4.890 6.269 5.547 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.777 6.383 6.060 1.00 0.00 O ATOM 68 NE2 GLN A 5 -5.920 5.726 6.185 1.00 0.00 N ATOM 0 H GLN A 5 -5.258 6.887 1.214 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.141 9.029 2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.627 6.035 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.053 7.158 4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.705 7.690 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.781 6.028 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.825 5.652 5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.806 5.383 7.139 1.00 0.00 H new ATOM 77 N CYS A 6 -2.163 7.119 1.025 1.00 0.00 N ATOM 78 CA CYS A 6 -0.902 7.100 0.286 1.00 0.00 C ATOM 79 C CYS A 6 -0.873 8.160 -0.812 1.00 0.00 C ATOM 80 O CYS A 6 0.147 8.813 -1.026 1.00 0.00 O ATOM 81 CB CYS A 6 -0.662 5.714 -0.321 1.00 0.00 C ATOM 82 SG CYS A 6 0.271 4.578 0.757 1.00 0.00 S ATOM 0 H CYS A 6 -2.632 6.215 1.076 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.105 7.329 0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.625 5.262 -0.559 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.123 5.830 -1.261 1.00 0.00 H new ATOM 87 N CYS A 7 -1.993 8.321 -1.507 1.00 0.00 N ATOM 88 CA CYS A 7 -2.087 9.302 -2.586 1.00 0.00 C ATOM 89 C CYS A 7 -1.921 10.721 -2.050 1.00 0.00 C ATOM 90 O CYS A 7 -2.897 11.456 -1.898 1.00 0.00 O ATOM 91 CB CYS A 7 -3.430 9.174 -3.308 1.00 0.00 C ATOM 92 SG CYS A 7 -3.600 10.260 -4.763 1.00 0.00 S ATOM 0 H CYS A 7 -2.847 7.788 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.281 9.102 -3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.564 8.139 -3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.231 9.399 -2.604 1.00 0.00 H new ATOM 97 N THR A 8 -0.679 11.098 -1.768 1.00 0.00 N ATOM 98 CA THR A 8 -0.376 12.427 -1.249 1.00 0.00 C ATOM 99 C THR A 8 1.131 12.597 -1.083 1.00 0.00 C ATOM 100 O THR A 8 1.711 13.593 -1.516 1.00 0.00 O ATOM 101 CB THR A 8 -1.096 12.654 0.087 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.278 14.038 0.330 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.376 12.071 1.288 1.00 0.00 C ATOM 0 H THR A 8 0.138 10.499 -1.891 1.00 0.00 H new ATOM 0 HA THR A 8 -0.731 13.172 -1.961 1.00 0.00 H new ATOM 0 HB THR A 8 -2.048 12.135 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.740 14.162 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.951 12.275 2.191 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.270 10.994 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.611 12.525 1.376 1.00 0.00 H new ATOM 111 N SER A 9 1.753 11.607 -0.456 1.00 0.00 N ATOM 112 CA SER A 9 3.192 11.619 -0.228 1.00 0.00 C ATOM 113 C SER A 9 3.845 10.417 -0.901 1.00 0.00 C ATOM 114 O SER A 9 3.194 9.683 -1.643 1.00 0.00 O ATOM 115 CB SER A 9 3.490 11.610 1.273 1.00 0.00 C ATOM 116 OG SER A 9 2.384 11.122 2.010 1.00 0.00 O ATOM 0 H SER A 9 1.279 10.780 -0.094 1.00 0.00 H new ATOM 0 HA SER A 9 3.605 12.529 -0.662 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.364 10.989 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.735 12.619 1.604 1.00 0.00 H new ATOM 0 HG SER A 9 2.601 11.125 2.966 1.00 0.00 H new ATOM 122 N ILE A 10 5.129 10.210 -0.631 1.00 0.00 N ATOM 123 CA ILE A 10 5.852 9.081 -1.212 1.00 0.00 C ATOM 124 C ILE A 10 5.776 7.880 -0.288 1.00 0.00 C ATOM 125 O ILE A 10 6.664 7.659 0.536 1.00 0.00 O ATOM 126 CB ILE A 10 7.342 9.394 -1.514 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.790 10.699 -0.847 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.569 9.461 -3.018 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.138 11.931 -1.434 1.00 0.00 C ATOM 0 H ILE A 10 5.689 10.803 -0.018 1.00 0.00 H new ATOM 0 HA ILE A 10 5.366 8.867 -2.164 1.00 0.00 H new ATOM 0 HB ILE A 10 7.945 8.587 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.563 10.650 0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.872 10.792 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.618 9.681 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.307 8.504 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.945 10.246 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.501 12.818 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.386 12.004 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.056 11.860 -1.318 1.00 0.00 H new ATOM 141 N CYS A 11 4.703 7.113 -0.417 1.00 0.00 N ATOM 142 CA CYS A 11 4.510 5.943 0.423 1.00 0.00 C ATOM 143 C CYS A 11 5.634 4.931 0.229 1.00 0.00 C ATOM 144 O CYS A 11 5.902 4.491 -0.889 1.00 0.00 O ATOM 145 CB CYS A 11 3.161 5.280 0.135 1.00 0.00 C ATOM 146 SG CYS A 11 1.870 5.675 1.358 1.00 0.00 S ATOM 0 H CYS A 11 3.957 7.280 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 11 4.523 6.281 1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.819 5.589 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.298 4.199 0.102 1.00 0.00 H new ATOM 151 N SER A 12 6.275 4.555 1.329 1.00 0.00 N ATOM 152 CA SER A 12 7.357 3.582 1.283 1.00 0.00 C ATOM 153 C SER A 12 6.785 2.173 1.205 1.00 0.00 C ATOM 154 O SER A 12 5.867 1.828 1.943 1.00 0.00 O ATOM 155 CB SER A 12 8.253 3.718 2.515 1.00 0.00 C ATOM 156 OG SER A 12 8.883 4.988 2.550 1.00 0.00 O ATOM 0 H SER A 12 6.064 4.909 2.262 1.00 0.00 H new ATOM 0 HA SER A 12 7.959 3.772 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.659 3.578 3.418 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.010 2.933 2.507 1.00 0.00 H new ATOM 0 HG SER A 12 9.449 5.051 3.348 1.00 0.00 H new ATOM 162 N LEU A 13 7.328 1.365 0.304 1.00 0.00 N ATOM 163 CA LEU A 13 6.867 -0.012 0.121 1.00 0.00 C ATOM 164 C LEU A 13 6.626 -0.695 1.451 1.00 0.00 C ATOM 165 O LEU A 13 5.704 -1.497 1.598 1.00 0.00 O ATOM 166 CB LEU A 13 7.895 -0.795 -0.680 1.00 0.00 C ATOM 167 CG LEU A 13 7.799 -0.587 -2.184 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.571 0.885 -2.501 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.047 -1.103 -2.879 1.00 0.00 C ATOM 0 H LEU A 13 8.091 1.637 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 13 5.921 0.017 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.893 -0.510 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.778 -1.857 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 13 6.947 -1.155 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.504 1.019 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.643 1.218 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.402 1.474 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.957 -0.944 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.920 -0.567 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.161 -2.168 -2.678 1.00 0.00 H new ATOM 181 N TYR A 14 7.454 -0.356 2.421 1.00 0.00 N ATOM 182 CA TYR A 14 7.332 -0.918 3.756 1.00 0.00 C ATOM 183 C TYR A 14 5.898 -0.762 4.247 1.00 0.00 C ATOM 184 O TYR A 14 5.349 -1.648 4.902 1.00 0.00 O ATOM 185 CB TYR A 14 8.303 -0.223 4.712 1.00 0.00 C ATOM 186 CG TYR A 14 8.132 -0.628 6.157 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.774 -1.750 6.663 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.327 0.112 7.011 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.617 -2.124 7.984 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.166 -0.253 8.334 1.00 0.00 C ATOM 191 CZ TYR A 14 7.814 -1.372 8.817 1.00 0.00 C ATOM 192 OH TYR A 14 7.656 -1.741 10.133 1.00 0.00 O ATOM 0 H TYR A 14 8.221 0.307 2.311 1.00 0.00 H new ATOM 0 HA TYR A 14 7.582 -1.978 3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.324 -0.443 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.170 0.856 4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.405 -2.339 6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.818 0.987 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.121 -3.001 8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.537 0.334 8.986 1.00 0.00 H new ATOM 0 HH TYR A 14 7.060 -1.105 10.582 1.00 0.00 H new ATOM 202 N GLN A 15 5.291 0.361 3.889 1.00 0.00 N ATOM 203 CA GLN A 15 3.908 0.637 4.261 1.00 0.00 C ATOM 204 C GLN A 15 2.970 -0.048 3.282 1.00 0.00 C ATOM 205 O GLN A 15 1.866 -0.459 3.638 1.00 0.00 O ATOM 206 CB GLN A 15 3.646 2.145 4.281 1.00 0.00 C ATOM 207 CG GLN A 15 4.430 2.884 5.355 1.00 0.00 C ATOM 208 CD GLN A 15 3.534 3.608 6.340 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.347 3.302 6.459 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.099 4.576 7.055 1.00 0.00 N ATOM 0 H GLN A 15 5.734 1.098 3.340 1.00 0.00 H new ATOM 0 HA GLN A 15 3.728 0.247 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.899 2.562 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.581 2.319 4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.057 2.174 5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.098 3.603 4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.086 4.797 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.545 5.098 7.734 1.00 0.00 H new ATOM 219 N LEU A 16 3.436 -0.182 2.049 1.00 0.00 N ATOM 220 CA LEU A 16 2.668 -0.835 1.007 1.00 0.00 C ATOM 221 C LEU A 16 2.606 -2.339 1.257 1.00 0.00 C ATOM 222 O LEU A 16 1.715 -3.025 0.761 1.00 0.00 O ATOM 223 CB LEU A 16 3.299 -0.555 -0.356 1.00 0.00 C ATOM 224 CG LEU A 16 2.311 -0.227 -1.471 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.777 1.185 -1.310 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.971 -0.395 -2.829 1.00 0.00 C ATOM 0 H LEU A 16 4.350 0.157 1.747 1.00 0.00 H new ATOM 0 HA LEU A 16 1.653 -0.439 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.996 0.277 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.884 -1.425 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 16 1.473 -0.921 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.074 1.402 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.269 1.275 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.604 1.894 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.253 -0.157 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.826 0.277 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.308 -1.425 -2.945 1.00 0.00 H new ATOM 238 N GLU A 17 3.556 -2.846 2.040 1.00 0.00 N ATOM 239 CA GLU A 17 3.602 -4.265 2.362 1.00 0.00 C ATOM 240 C GLU A 17 2.571 -4.606 3.434 1.00 0.00 C ATOM 241 O GLU A 17 2.277 -5.777 3.676 1.00 0.00 O ATOM 242 CB GLU A 17 5.002 -4.656 2.837 1.00 0.00 C ATOM 243 CG GLU A 17 5.222 -6.158 2.910 1.00 0.00 C ATOM 244 CD GLU A 17 5.558 -6.765 1.562 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.187 -6.068 0.738 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.194 -7.936 1.331 1.00 0.00 O ATOM 0 H GLU A 17 4.302 -2.293 2.461 1.00 0.00 H new ATOM 0 HA GLU A 17 3.365 -4.829 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.740 -4.221 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.176 -4.223 3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.030 -6.369 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.325 -6.634 3.305 1.00 0.00 H new ATOM 253 N ASN A 18 2.020 -3.574 4.074 1.00 0.00 N ATOM 254 CA ASN A 18 1.017 -3.764 5.117 1.00 0.00 C ATOM 255 C ASN A 18 -0.324 -4.201 4.525 1.00 0.00 C ATOM 256 O ASN A 18 -1.267 -4.495 5.259 1.00 0.00 O ATOM 257 CB ASN A 18 0.837 -2.474 5.918 1.00 0.00 C ATOM 258 CG ASN A 18 -0.123 -2.642 7.080 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.341 -2.629 6.900 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.422 -2.798 8.280 1.00 0.00 N ATOM 0 H ASN A 18 2.253 -2.599 3.887 1.00 0.00 H new ATOM 0 HA ASN A 18 1.370 -4.554 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.806 -2.146 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.470 -1.688 5.258 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.174 -2.913 9.100 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.437 -2.802 8.383 1.00 0.00 H new ATOM 267 N TYR A 19 -0.403 -4.248 3.197 1.00 0.00 N ATOM 268 CA TYR A 19 -1.624 -4.654 2.514 1.00 0.00 C ATOM 269 C TYR A 19 -1.589 -6.143 2.209 1.00 0.00 C ATOM 270 O TYR A 19 -2.605 -6.833 2.288 1.00 0.00 O ATOM 271 CB TYR A 19 -1.777 -3.892 1.202 1.00 0.00 C ATOM 272 CG TYR A 19 -1.950 -2.400 1.352 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.910 -1.598 1.808 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.150 -1.790 1.012 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.069 -0.232 1.923 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.309 -0.427 1.123 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.261 0.342 1.580 1.00 0.00 C ATOM 278 OH TYR A 19 -2.399 1.697 1.687 1.00 0.00 O ATOM 0 H TYR A 19 0.368 -4.009 2.573 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.466 -4.432 3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.899 -4.081 0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.637 -4.291 0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.034 -2.050 2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.971 -2.394 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.255 0.381 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.247 0.036 0.854 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.728 2.139 1.126 1.00 0.00 H new ATOM 288 N CYS A 20 -0.403 -6.620 1.842 1.00 0.00 N ATOM 289 CA CYS A 20 -0.195 -8.024 1.496 1.00 0.00 C ATOM 290 C CYS A 20 -1.000 -8.952 2.400 1.00 0.00 C ATOM 291 O CYS A 20 -0.668 -9.138 3.571 1.00 0.00 O ATOM 292 CB CYS A 20 1.290 -8.379 1.587 1.00 0.00 C ATOM 293 SG CYS A 20 2.405 -7.215 0.735 1.00 0.00 S ATOM 0 H CYS A 20 0.438 -6.047 1.776 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.541 -8.163 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.574 -8.429 2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.438 -9.375 1.169 1.00 0.00 H new ATOM 298 N ASN A 21 -2.057 -9.534 1.846 1.00 0.00 N ATOM 299 CA ASN A 21 -2.908 -10.448 2.601 1.00 0.00 C ATOM 300 C ASN A 21 -2.902 -11.841 1.978 1.00 0.00 C ATOM 301 O ASN A 21 -2.075 -12.144 1.118 1.00 0.00 O ATOM 302 CB ASN A 21 -4.341 -9.911 2.679 1.00 0.00 C ATOM 303 CG ASN A 21 -5.043 -9.915 1.340 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.783 -9.069 0.486 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.944 -10.867 1.151 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.741 -12.674 2.401 1.00 0.00 O ATOM 0 H ASN A 21 -2.346 -9.390 0.878 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.506 -10.522 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.912 -10.514 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.322 -8.894 3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.454 -10.919 0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.128 -11.549 1.887 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.339 4.418 -3.324 1.00 0.00 N ATOM 315 CA PHE B 1 12.391 4.245 -4.322 1.00 0.00 C ATOM 316 C PHE B 1 12.657 5.552 -5.067 1.00 0.00 C ATOM 317 O PHE B 1 13.738 5.751 -5.621 1.00 0.00 O ATOM 318 CB PHE B 1 12.020 3.138 -5.317 1.00 0.00 C ATOM 319 CG PHE B 1 10.557 3.083 -5.660 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.932 4.159 -6.268 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.809 1.952 -5.378 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.589 4.110 -6.588 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.465 1.896 -5.695 1.00 0.00 C ATOM 324 CZ PHE B 1 7.854 2.976 -6.301 1.00 0.00 C ATOM 0 H1 PHE B 1 11.433 3.687 -2.590 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.425 5.359 -2.889 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.409 4.332 -3.781 1.00 0.00 H new ATOM 0 HA PHE B 1 13.302 3.953 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.592 3.282 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.321 2.176 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.502 5.048 -6.495 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.282 1.104 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.115 4.957 -7.062 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.893 1.008 -5.469 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.804 2.934 -6.550 1.00 0.00 H new ATOM 336 N VAL B 2 11.666 6.443 -5.071 1.00 0.00 N ATOM 337 CA VAL B 2 11.794 7.731 -5.743 1.00 0.00 C ATOM 338 C VAL B 2 10.831 8.753 -5.144 1.00 0.00 C ATOM 339 O VAL B 2 10.251 8.523 -4.083 1.00 0.00 O ATOM 340 CB VAL B 2 11.524 7.607 -7.258 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.444 6.571 -7.876 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.066 7.260 -7.525 1.00 0.00 C ATOM 0 H VAL B 2 10.766 6.294 -4.615 1.00 0.00 H new ATOM 0 HA VAL B 2 12.820 8.069 -5.596 1.00 0.00 H new ATOM 0 HB VAL B 2 11.729 8.572 -7.721 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.241 6.495 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.481 6.869 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.271 5.604 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.902 7.178 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.825 6.310 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.425 8.043 -7.119 1.00 0.00 H new ATOM 352 N ASN B 3 10.657 9.877 -5.832 1.00 0.00 N ATOM 353 CA ASN B 3 9.754 10.919 -5.365 1.00 0.00 C ATOM 354 C ASN B 3 8.354 10.702 -5.933 1.00 0.00 C ATOM 355 O ASN B 3 7.761 11.605 -6.523 1.00 0.00 O ATOM 356 CB ASN B 3 10.279 12.299 -5.764 1.00 0.00 C ATOM 357 CG ASN B 3 9.591 13.422 -5.013 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.732 13.549 -3.797 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.841 14.244 -5.737 1.00 0.00 N ATOM 0 H ASN B 3 11.128 10.088 -6.712 1.00 0.00 H new ATOM 0 HA ASN B 3 9.701 10.868 -4.277 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.352 12.344 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.137 12.442 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.353 15.019 -5.287 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.753 14.101 -6.743 1.00 0.00 H new ATOM 366 N GLN B 4 7.841 9.488 -5.760 1.00 0.00 N ATOM 367 CA GLN B 4 6.524 9.126 -6.260 1.00 0.00 C ATOM 368 C GLN B 4 5.402 9.759 -5.428 1.00 0.00 C ATOM 369 O GLN B 4 5.587 10.815 -4.822 1.00 0.00 O ATOM 370 CB GLN B 4 6.395 7.601 -6.289 1.00 0.00 C ATOM 371 CG GLN B 4 6.316 6.964 -4.910 1.00 0.00 C ATOM 372 CD GLN B 4 7.566 6.185 -4.551 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.679 6.699 -4.645 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.385 4.935 -4.138 1.00 0.00 N ATOM 0 H GLN B 4 8.324 8.734 -5.272 1.00 0.00 H new ATOM 0 HA GLN B 4 6.419 9.517 -7.272 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.503 7.332 -6.855 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.249 7.184 -6.823 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.151 7.742 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.454 6.298 -4.871 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.443 4.550 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.189 4.361 -3.883 1.00 0.00 H new ATOM 383 N ALA B 5 4.236 9.112 -5.412 1.00 0.00 N ATOM 384 CA ALA B 5 3.084 9.612 -4.666 1.00 0.00 C ATOM 385 C ALA B 5 2.145 8.479 -4.291 1.00 0.00 C ATOM 386 O ALA B 5 1.684 8.387 -3.155 1.00 0.00 O ATOM 387 CB ALA B 5 2.328 10.631 -5.490 1.00 0.00 C ATOM 0 H ALA B 5 4.066 8.238 -5.909 1.00 0.00 H new ATOM 0 HA ALA B 5 3.455 10.080 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.472 10.995 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.986 11.466 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA B 5 1.980 10.167 -6.413 1.00 0.00 H new ATOM 393 N LEU B 6 1.861 7.638 -5.278 1.00 0.00 N ATOM 394 CA LEU B 6 0.969 6.494 -5.123 1.00 0.00 C ATOM 395 C LEU B 6 -0.491 6.899 -5.274 1.00 0.00 C ATOM 396 O LEU B 6 -1.194 7.121 -4.288 1.00 0.00 O ATOM 397 CB LEU B 6 1.184 5.776 -3.785 1.00 0.00 C ATOM 398 CG LEU B 6 2.190 4.624 -3.832 1.00 0.00 C ATOM 399 CD1 LEU B 6 1.570 3.398 -4.479 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.439 5.043 -4.588 1.00 0.00 C ATOM 0 H LEU B 6 2.247 7.731 -6.218 1.00 0.00 H new ATOM 0 HA LEU B 6 1.217 5.796 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.521 6.504 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.226 5.390 -3.437 1.00 0.00 H new ATOM 0 HG LEU B 6 2.469 4.370 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.301 2.590 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.700 3.083 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.263 3.640 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.145 4.213 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.171 5.322 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.899 5.895 -4.087 1.00 0.00 H new ATOM 412 N CYS B 7 -0.938 6.983 -6.521 1.00 0.00 N ATOM 413 CA CYS B 7 -2.317 7.347 -6.821 1.00 0.00 C ATOM 414 C CYS B 7 -2.857 6.510 -7.977 1.00 0.00 C ATOM 415 O CYS B 7 -2.234 6.421 -9.035 1.00 0.00 O ATOM 416 CB CYS B 7 -2.411 8.835 -7.161 1.00 0.00 C ATOM 417 SG CYS B 7 -1.891 9.940 -5.810 1.00 0.00 S ATOM 0 H CYS B 7 -0.363 6.803 -7.344 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.923 7.147 -5.937 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.796 9.036 -8.038 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.440 9.070 -7.433 1.00 0.00 H new ATOM 422 N GLY B 8 -4.014 5.894 -7.765 1.00 0.00 N ATOM 423 CA GLY B 8 -4.615 5.066 -8.794 1.00 0.00 C ATOM 424 C GLY B 8 -3.989 3.686 -8.856 1.00 0.00 C ATOM 425 O GLY B 8 -3.796 3.040 -7.826 1.00 0.00 O ATOM 0 H GLY B 8 -4.547 5.953 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.684 4.970 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.507 5.556 -9.762 1.00 0.00 H new ATOM 429 N SER B 9 -3.664 3.237 -10.063 1.00 0.00 N ATOM 430 CA SER B 9 -3.048 1.928 -10.249 1.00 0.00 C ATOM 431 C SER B 9 -1.642 1.902 -9.654 1.00 0.00 C ATOM 432 O SER B 9 -1.099 0.832 -9.376 1.00 0.00 O ATOM 433 CB SER B 9 -2.996 1.572 -11.736 1.00 0.00 C ATOM 434 OG SER B 9 -4.179 0.908 -12.144 1.00 0.00 O ATOM 0 H SER B 9 -3.816 3.759 -10.926 1.00 0.00 H new ATOM 0 HA SER B 9 -3.656 1.188 -9.729 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.863 2.479 -12.326 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.133 0.936 -11.931 1.00 0.00 H new ATOM 0 HG SER B 9 -4.121 0.693 -13.098 1.00 0.00 H new ATOM 440 N ASP B 10 -1.056 3.084 -9.454 1.00 0.00 N ATOM 441 CA ASP B 10 0.285 3.190 -8.883 1.00 0.00 C ATOM 442 C ASP B 10 0.409 2.310 -7.647 1.00 0.00 C ATOM 443 O ASP B 10 1.460 1.725 -7.386 1.00 0.00 O ATOM 444 CB ASP B 10 0.599 4.645 -8.528 1.00 0.00 C ATOM 445 CG ASP B 10 1.485 5.313 -9.562 1.00 0.00 C ATOM 446 OD1 ASP B 10 1.035 5.472 -10.716 1.00 0.00 O ATOM 447 OD2 ASP B 10 2.629 5.678 -9.216 1.00 0.00 O ATOM 0 H ASP B 10 -1.490 3.979 -9.679 1.00 0.00 H new ATOM 0 HA ASP B 10 1.004 2.848 -9.627 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.333 5.203 -8.436 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.089 4.681 -7.555 1.00 0.00 H new ATOM 452 N LEU B 11 -0.683 2.209 -6.899 1.00 0.00 N ATOM 453 CA LEU B 11 -0.712 1.385 -5.702 1.00 0.00 C ATOM 454 C LEU B 11 -0.635 -0.078 -6.078 1.00 0.00 C ATOM 455 O LEU B 11 0.411 -0.702 -5.944 1.00 0.00 O ATOM 456 CB LEU B 11 -1.985 1.646 -4.910 1.00 0.00 C ATOM 457 CG LEU B 11 -2.041 2.994 -4.207 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.440 3.240 -3.692 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.031 3.056 -3.074 1.00 0.00 C ATOM 0 H LEU B 11 -1.560 2.689 -7.102 1.00 0.00 H new ATOM 0 HA LEU B 11 0.147 1.642 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.837 1.570 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.098 0.859 -4.164 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.784 3.775 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.478 4.206 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.141 3.238 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.712 2.453 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.090 4.029 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.250 2.273 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.027 2.910 -3.473 1.00 0.00 H new ATOM 471 N VAL B 12 -1.748 -0.615 -6.567 1.00 0.00 N ATOM 472 CA VAL B 12 -1.814 -2.005 -6.986 1.00 0.00 C ATOM 473 C VAL B 12 -0.552 -2.402 -7.731 1.00 0.00 C ATOM 474 O VAL B 12 0.055 -3.431 -7.442 1.00 0.00 O ATOM 475 CB VAL B 12 -3.038 -2.246 -7.885 1.00 0.00 C ATOM 476 CG1 VAL B 12 -4.316 -2.238 -7.063 1.00 0.00 C ATOM 477 CG2 VAL B 12 -3.107 -1.203 -8.986 1.00 0.00 C ATOM 0 H VAL B 12 -2.622 -0.101 -6.682 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.906 -2.618 -6.089 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.933 -3.227 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.171 -2.410 -7.717 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.270 -3.026 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.425 -1.272 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.980 -1.391 -9.611 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.185 -0.210 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.205 -1.258 -9.596 1.00 0.00 H new ATOM 487 N GLU B 13 -0.144 -1.561 -8.670 1.00 0.00 N ATOM 488 CA GLU B 13 1.061 -1.812 -9.434 1.00 0.00 C ATOM 489 C GLU B 13 2.251 -1.974 -8.500 1.00 0.00 C ATOM 490 O GLU B 13 3.014 -2.936 -8.608 1.00 0.00 O ATOM 491 CB GLU B 13 1.310 -0.669 -10.418 1.00 0.00 C ATOM 492 CG GLU B 13 0.329 -0.642 -11.578 1.00 0.00 C ATOM 493 CD GLU B 13 0.689 0.398 -12.621 1.00 0.00 C ATOM 494 OE1 GLU B 13 1.752 0.254 -13.262 1.00 0.00 O ATOM 495 OE2 GLU B 13 -0.092 1.357 -12.798 1.00 0.00 O ATOM 0 H GLU B 13 -0.632 -0.700 -8.918 1.00 0.00 H new ATOM 0 HA GLU B 13 0.933 -2.736 -9.998 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.254 0.279 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.323 -0.753 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.299 -1.626 -12.046 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.672 -0.439 -11.198 1.00 0.00 H new ATOM 502 N ALA B 14 2.387 -1.044 -7.564 1.00 0.00 N ATOM 503 CA ALA B 14 3.476 -1.102 -6.599 1.00 0.00 C ATOM 504 C ALA B 14 3.144 -2.066 -5.468 1.00 0.00 C ATOM 505 O ALA B 14 4.003 -2.400 -4.654 1.00 0.00 O ATOM 506 CB ALA B 14 3.765 0.282 -6.040 1.00 0.00 C ATOM 0 H ALA B 14 1.762 -0.246 -7.453 1.00 0.00 H new ATOM 0 HA ALA B 14 4.366 -1.466 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.581 0.221 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.047 0.951 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.874 0.668 -5.545 1.00 0.00 H new ATOM 512 N LEU B 15 1.886 -2.496 -5.416 1.00 0.00 N ATOM 513 CA LEU B 15 1.427 -3.401 -4.380 1.00 0.00 C ATOM 514 C LEU B 15 1.588 -4.862 -4.785 1.00 0.00 C ATOM 515 O LEU B 15 2.354 -5.598 -4.165 1.00 0.00 O ATOM 516 CB LEU B 15 -0.031 -3.108 -4.033 1.00 0.00 C ATOM 517 CG LEU B 15 -0.285 -2.748 -2.571 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.730 -3.016 -2.209 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.639 -3.533 -1.655 1.00 0.00 C ATOM 0 H LEU B 15 1.166 -2.227 -6.087 1.00 0.00 H new ATOM 0 HA LEU B 15 2.049 -3.235 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.380 -2.288 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.632 -3.981 -4.287 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.079 -1.686 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.898 -2.755 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.381 -2.414 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.953 -4.072 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.441 -3.261 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.464 -4.600 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.676 -3.302 -1.899 1.00 0.00 H new ATOM 531 N TYR B 16 0.865 -5.300 -5.812 1.00 0.00 N ATOM 532 CA TYR B 16 0.972 -6.685 -6.233 1.00 0.00 C ATOM 533 C TYR B 16 2.418 -7.037 -6.572 1.00 0.00 C ATOM 534 O TYR B 16 2.792 -8.208 -6.573 1.00 0.00 O ATOM 535 CB TYR B 16 0.026 -7.010 -7.392 1.00 0.00 C ATOM 536 CG TYR B 16 0.163 -6.156 -8.625 1.00 0.00 C ATOM 537 CD1 TYR B 16 1.290 -6.229 -9.425 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.859 -5.298 -9.005 1.00 0.00 C ATOM 539 CE1 TYR B 16 1.399 -5.470 -10.572 1.00 0.00 C ATOM 540 CE2 TYR B 16 -0.759 -4.531 -10.147 1.00 0.00 C ATOM 541 CZ TYR B 16 0.372 -4.621 -10.929 1.00 0.00 C ATOM 542 OH TYR B 16 0.476 -3.861 -12.072 1.00 0.00 O ATOM 0 H TYR B 16 0.216 -4.729 -6.353 1.00 0.00 H new ATOM 0 HA TYR B 16 0.661 -7.307 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.180 -8.051 -7.678 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.999 -6.927 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.097 -6.891 -9.147 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.748 -5.230 -8.396 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.284 -5.540 -11.187 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.562 -3.865 -10.426 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.417 -3.707 -12.445 1.00 0.00 H new ATOM 552 N LEU B 17 3.240 -6.016 -6.827 1.00 0.00 N ATOM 553 CA LEU B 17 4.646 -6.247 -7.125 1.00 0.00 C ATOM 554 C LEU B 17 5.425 -6.503 -5.834 1.00 0.00 C ATOM 555 O LEU B 17 6.305 -7.362 -5.788 1.00 0.00 O ATOM 556 CB LEU B 17 5.246 -5.054 -7.875 1.00 0.00 C ATOM 557 CG LEU B 17 5.642 -5.337 -9.326 1.00 0.00 C ATOM 558 CD1 LEU B 17 4.537 -6.103 -10.041 1.00 0.00 C ATOM 559 CD2 LEU B 17 5.957 -4.040 -10.057 1.00 0.00 C ATOM 0 H LEU B 17 2.957 -5.036 -6.832 1.00 0.00 H new ATOM 0 HA LEU B 17 4.720 -7.127 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.525 -4.237 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.127 -4.709 -7.334 1.00 0.00 H new ATOM 0 HG LEU B 17 6.540 -5.954 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.836 -6.295 -11.071 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.362 -7.050 -9.531 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.621 -5.512 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.236 -4.262 -11.087 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.078 -3.396 -10.050 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.783 -3.532 -9.558 1.00 0.00 H new ATOM 571 N VAL B 18 5.086 -5.753 -4.786 1.00 0.00 N ATOM 572 CA VAL B 18 5.747 -5.901 -3.489 1.00 0.00 C ATOM 573 C VAL B 18 5.305 -7.181 -2.793 1.00 0.00 C ATOM 574 O VAL B 18 6.117 -7.891 -2.201 1.00 0.00 O ATOM 575 CB VAL B 18 5.464 -4.706 -2.552 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.234 -3.480 -3.004 1.00 0.00 C ATOM 577 CG2 VAL B 18 3.979 -4.407 -2.472 1.00 0.00 C ATOM 0 H VAL B 18 4.359 -5.038 -4.809 1.00 0.00 H new ATOM 0 HA VAL B 18 6.817 -5.940 -3.694 1.00 0.00 H new ATOM 0 HB VAL B 18 5.802 -4.978 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.022 -2.649 -2.332 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.302 -3.695 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.932 -3.214 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.814 -3.561 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.603 -4.164 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.452 -5.280 -2.088 1.00 0.00 H new ATOM 587 N CYS B 19 4.013 -7.466 -2.870 1.00 0.00 N ATOM 588 CA CYS B 19 3.453 -8.659 -2.250 1.00 0.00 C ATOM 589 C CYS B 19 3.677 -9.882 -3.129 1.00 0.00 C ATOM 590 O CYS B 19 4.346 -10.834 -2.732 1.00 0.00 O ATOM 591 CB CYS B 19 1.963 -8.468 -1.993 1.00 0.00 C ATOM 592 SG CYS B 19 1.543 -6.947 -1.083 1.00 0.00 S ATOM 0 H CYS B 19 3.331 -6.885 -3.357 1.00 0.00 H new ATOM 0 HA CYS B 19 3.961 -8.820 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.440 -8.460 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.591 -9.326 -1.433 1.00 0.00 H new ATOM 597 N GLY B 20 3.109 -9.842 -4.327 1.00 0.00 N ATOM 598 CA GLY B 20 3.251 -10.948 -5.253 1.00 0.00 C ATOM 599 C GLY B 20 2.666 -12.237 -4.714 1.00 0.00 C ATOM 600 O GLY B 20 1.485 -12.521 -4.910 1.00 0.00 O ATOM 0 H GLY B 20 2.551 -9.062 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.760 -10.696 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.308 -11.098 -5.475 1.00 0.00 H new ATOM 604 N GLU B 21 3.494 -13.019 -4.029 1.00 0.00 N ATOM 605 CA GLU B 21 3.052 -14.285 -3.455 1.00 0.00 C ATOM 606 C GLU B 21 2.082 -14.060 -2.296 1.00 0.00 C ATOM 607 O GLU B 21 1.428 -14.995 -1.834 1.00 0.00 O ATOM 608 CB GLU B 21 4.256 -15.097 -2.975 1.00 0.00 C ATOM 609 CG GLU B 21 4.966 -15.848 -4.090 1.00 0.00 C ATOM 610 CD GLU B 21 6.461 -15.596 -4.105 1.00 0.00 C ATOM 611 OE1 GLU B 21 6.865 -14.414 -4.069 1.00 0.00 O ATOM 612 OE2 GLU B 21 7.229 -16.579 -4.153 1.00 0.00 O ATOM 0 H GLU B 21 4.475 -12.798 -3.858 1.00 0.00 H new ATOM 0 HA GLU B 21 2.530 -14.841 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.966 -14.427 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.925 -15.811 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.783 -16.917 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.542 -15.552 -5.049 1.00 0.00 H new ATOM 619 N ARG B 22 1.990 -12.816 -1.831 1.00 0.00 N ATOM 620 CA ARG B 22 1.101 -12.476 -0.730 1.00 0.00 C ATOM 621 C ARG B 22 -0.093 -11.671 -1.233 1.00 0.00 C ATOM 622 O ARG B 22 -0.208 -10.480 -0.947 1.00 0.00 O ATOM 623 CB ARG B 22 1.858 -11.676 0.331 1.00 0.00 C ATOM 624 CG ARG B 22 3.204 -12.274 0.709 1.00 0.00 C ATOM 625 CD ARG B 22 4.240 -11.191 0.960 1.00 0.00 C ATOM 626 NE ARG B 22 5.501 -11.737 1.455 1.00 0.00 N ATOM 627 CZ ARG B 22 6.432 -12.281 0.675 1.00 0.00 C ATOM 628 NH1 ARG B 22 6.246 -12.361 -0.637 1.00 0.00 N ATOM 629 NH2 ARG B 22 7.554 -12.748 1.207 1.00 0.00 N ATOM 0 H ARG B 22 2.522 -12.029 -2.202 1.00 0.00 H new ATOM 0 HA ARG B 22 0.735 -13.402 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.012 -10.661 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.240 -11.602 1.226 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.093 -12.888 1.603 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.549 -12.932 -0.089 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.421 -10.643 0.035 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.847 -10.476 1.683 1.00 0.00 H new ATOM 0 HE ARG B 22 5.679 -11.699 2.459 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.386 -12.004 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.964 -12.779 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG B 22 7.703 -12.690 2.214 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.267 -13.165 0.609 1.00 0.00 H new ATOM 643 N GLY B 23 -0.972 -12.335 -1.988 1.00 0.00 N ATOM 644 CA GLY B 23 -2.161 -11.687 -2.541 1.00 0.00 C ATOM 645 C GLY B 23 -2.524 -10.390 -1.841 1.00 0.00 C ATOM 646 O GLY B 23 -3.210 -10.398 -0.819 1.00 0.00 O ATOM 0 H GLY B 23 -0.881 -13.322 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.996 -11.486 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.004 -12.375 -2.475 1.00 0.00 H new ATOM 650 N PHE B 24 -2.047 -9.276 -2.388 1.00 0.00 N ATOM 651 CA PHE B 24 -2.304 -7.961 -1.812 1.00 0.00 C ATOM 652 C PHE B 24 -3.796 -7.701 -1.646 1.00 0.00 C ATOM 653 O PHE B 24 -4.625 -8.561 -1.947 1.00 0.00 O ATOM 654 CB PHE B 24 -1.676 -6.873 -2.683 1.00 0.00 C ATOM 655 CG PHE B 24 -2.455 -6.576 -3.936 1.00 0.00 C ATOM 656 CD1 PHE B 24 -2.475 -7.479 -4.987 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.166 -5.395 -4.060 1.00 0.00 C ATOM 658 CE1 PHE B 24 -3.190 -7.208 -6.138 1.00 0.00 C ATOM 659 CE2 PHE B 24 -3.884 -5.117 -5.207 1.00 0.00 C ATOM 660 CZ PHE B 24 -3.896 -6.025 -6.248 1.00 0.00 C ATOM 0 H PHE B 24 -1.477 -9.259 -3.234 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.850 -7.939 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.585 -5.958 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.666 -7.178 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.925 -8.405 -4.906 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.159 -4.681 -3.249 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.197 -7.920 -6.950 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.435 -4.192 -5.290 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.456 -5.811 -7.146 1.00 0.00 H new ATOM 670 N PHE B 25 -4.131 -6.509 -1.158 1.00 0.00 N ATOM 671 CA PHE B 25 -5.526 -6.139 -0.945 1.00 0.00 C ATOM 672 C PHE B 25 -5.846 -4.757 -1.530 1.00 0.00 C ATOM 673 O PHE B 25 -6.348 -4.657 -2.648 1.00 0.00 O ATOM 674 CB PHE B 25 -5.862 -6.185 0.549 1.00 0.00 C ATOM 675 CG PHE B 25 -7.324 -6.377 0.833 1.00 0.00 C ATOM 676 CD1 PHE B 25 -8.057 -7.334 0.149 1.00 0.00 C ATOM 677 CD2 PHE B 25 -7.965 -5.601 1.786 1.00 0.00 C ATOM 678 CE1 PHE B 25 -9.403 -7.512 0.409 1.00 0.00 C ATOM 679 CE2 PHE B 25 -9.310 -5.775 2.051 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.030 -6.732 1.362 1.00 0.00 C ATOM 0 H PHE B 25 -3.458 -5.786 -0.904 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.147 -6.864 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.301 -6.996 1.014 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.529 -5.258 1.016 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.571 -7.947 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.407 -4.852 2.328 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.964 -8.260 -0.132 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.798 -5.164 2.796 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.081 -6.870 1.568 1.00 0.00 H new ATOM 690 N TYR B 26 -5.578 -3.698 -0.761 1.00 0.00 N ATOM 691 CA TYR B 26 -5.858 -2.323 -1.193 1.00 0.00 C ATOM 692 C TYR B 26 -7.363 -2.047 -1.280 1.00 0.00 C ATOM 693 O TYR B 26 -7.796 -0.906 -1.126 1.00 0.00 O ATOM 694 CB TYR B 26 -5.220 -2.008 -2.552 1.00 0.00 C ATOM 695 CG TYR B 26 -5.902 -0.848 -3.249 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.985 -1.062 -4.089 1.00 0.00 C ATOM 697 CD2 TYR B 26 -5.491 0.460 -3.032 1.00 0.00 C ATOM 698 CE1 TYR B 26 -7.637 -0.008 -4.698 1.00 0.00 C ATOM 699 CE2 TYR B 26 -6.134 1.520 -3.639 1.00 0.00 C ATOM 700 CZ TYR B 26 -7.208 1.282 -4.471 1.00 0.00 C ATOM 701 OH TYR B 26 -7.854 2.336 -5.073 1.00 0.00 O ATOM 0 H TYR B 26 -5.165 -3.766 0.169 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.418 -1.677 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.165 -1.775 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.269 -2.892 -3.188 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.324 -2.071 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.654 0.652 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.479 -0.194 -5.349 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.798 2.531 -3.463 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.797 2.107 -5.209 1.00 0.00 H new ATOM 711 N THR B 27 -8.155 -3.079 -1.559 1.00 0.00 N ATOM 712 CA THR B 27 -9.594 -2.910 -1.697 1.00 0.00 C ATOM 713 C THR B 27 -10.278 -2.825 -0.343 1.00 0.00 C ATOM 714 O THR B 27 -9.915 -3.523 0.604 1.00 0.00 O ATOM 715 CB THR B 27 -10.190 -4.062 -2.507 1.00 0.00 C ATOM 716 OG1 THR B 27 -9.999 -5.297 -1.838 1.00 0.00 O ATOM 717 CG2 THR B 27 -9.596 -4.192 -3.891 1.00 0.00 C ATOM 0 H THR B 27 -7.825 -4.035 -1.693 1.00 0.00 H new ATOM 0 HA THR B 27 -9.766 -1.971 -2.224 1.00 0.00 H new ATOM 0 HB THR B 27 -11.250 -3.826 -2.606 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.388 -6.021 -2.371 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.064 -5.028 -4.411 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.772 -3.273 -4.450 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.523 -4.368 -3.811 1.00 0.00 H new ATOM 725 N LYS B 28 -11.276 -1.955 -0.268 1.00 0.00 N ATOM 726 CA LYS B 28 -12.033 -1.751 0.956 1.00 0.00 C ATOM 727 C LYS B 28 -13.085 -2.845 1.129 1.00 0.00 C ATOM 728 O LYS B 28 -13.431 -3.541 0.175 1.00 0.00 O ATOM 729 CB LYS B 28 -12.696 -0.374 0.927 1.00 0.00 C ATOM 730 CG LYS B 28 -13.506 -0.116 -0.334 1.00 0.00 C ATOM 731 CD LYS B 28 -13.024 1.129 -1.063 1.00 0.00 C ATOM 732 CE LYS B 28 -13.585 1.200 -2.474 1.00 0.00 C ATOM 733 NZ LYS B 28 -13.486 -0.108 -3.179 1.00 0.00 N ATOM 0 H LYS B 28 -11.581 -1.375 -1.050 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.350 -1.801 1.804 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.348 -0.276 1.795 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.927 0.393 1.018 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.433 -0.978 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.558 -0.002 -0.074 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.323 2.017 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.935 1.130 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.628 1.513 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.046 1.959 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.500 0.050 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.598 -0.579 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.291 -0.709 -2.910 1.00 0.00 H new ATOM 747 N PRO B 29 -13.606 -3.017 2.357 1.00 0.00 N ATOM 748 CA PRO B 29 -14.618 -4.038 2.649 1.00 0.00 C ATOM 749 C PRO B 29 -15.773 -4.016 1.653 1.00 0.00 C ATOM 750 O PRO B 29 -16.543 -3.057 1.600 1.00 0.00 O ATOM 751 CB PRO B 29 -15.106 -3.659 4.045 1.00 0.00 C ATOM 752 CG PRO B 29 -13.949 -2.963 4.672 1.00 0.00 C ATOM 753 CD PRO B 29 -13.247 -2.236 3.556 1.00 0.00 C ATOM 0 HA PRO B 29 -14.211 -5.047 2.583 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.980 -3.010 3.996 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.395 -4.541 4.617 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.283 -2.267 5.442 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.280 -3.675 5.155 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.583 -1.202 3.477 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.168 -2.210 3.710 1.00 0.00 H new ATOM 761 N THR B 30 -15.888 -5.083 0.867 1.00 0.00 N ATOM 762 CA THR B 30 -16.949 -5.196 -0.130 1.00 0.00 C ATOM 763 C THR B 30 -17.032 -3.939 -0.991 1.00 0.00 C ATOM 764 O THR B 30 -16.002 -3.247 -1.129 1.00 0.00 O ATOM 765 CB THR B 30 -18.293 -5.453 0.552 1.00 0.00 C ATOM 766 OG1 THR B 30 -18.640 -4.374 1.400 1.00 0.00 O ATOM 767 CG2 THR B 30 -18.309 -6.716 1.386 1.00 0.00 C ATOM 768 OXT THR B 30 -18.128 -3.658 -1.522 1.00 0.00 O ATOM 0 H THR B 30 -15.258 -5.884 0.901 1.00 0.00 H new ATOM 0 HA THR B 30 -16.711 -6.039 -0.779 1.00 0.00 H new ATOM 0 HB THR B 30 -19.012 -5.564 -0.260 1.00 0.00 H new ATOM 0 HG1 THR B 30 -18.042 -3.617 1.228 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.291 -6.839 1.842 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.094 -7.575 0.750 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.553 -6.645 2.168 1.00 0.00 H new TER 776 THR B 30