USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 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 27 THR OG1 : rot -131:sc= 0.379! USER MOD Set 1.2: B 30 THR OG1 : rot 180:sc= 0.29 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0401 USER MOD Set 2.2: A 15 GLN : amide:sc= 0 X(o=0.04,f=-0.11) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.6!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.343 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0173 K(o=-0.017,f=-2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : B 1 PHE N :NH3+ -97:sc= 0.0256 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.57) USER MOD Single : B 4 GLN : amide:sc= -0.535 K(o=-0.53,f=-3.2!) USER MOD Single : B 5 HIS : no HE2:sc= -17.1! C(o=-17!,f=-20!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -4.17! C(o=-5.1!,f=-4.2!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 88:sc= 1.06 USER MOD Single : B 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.951 5.307 4.273 1.00 0.00 N ATOM 2 CA GLY A 1 -7.276 4.035 3.758 1.00 0.00 C ATOM 3 C GLY A 1 -5.960 4.135 3.064 1.00 0.00 C ATOM 4 O GLY A 1 -5.422 5.209 2.885 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.854 5.061 4.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.330 5.774 4.965 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.129 5.952 3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.147 3.365 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.971 3.550 3.073 1.00 0.00 H new ATOM 10 N ILE A 2 -5.406 3.025 2.654 1.00 0.00 N ATOM 11 CA ILE A 2 -4.093 3.063 1.953 1.00 0.00 C ATOM 12 C ILE A 2 -4.189 3.997 0.748 1.00 0.00 C ATOM 13 O ILE A 2 -3.197 4.484 0.244 1.00 0.00 O ATOM 14 CB ILE A 2 -3.723 1.655 1.485 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.248 1.625 1.078 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.588 1.268 0.287 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.928 0.280 0.422 1.00 0.00 C ATOM 0 H ILE A 2 -5.807 2.095 2.775 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.325 3.429 2.635 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.893 0.948 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.034 2.439 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.615 1.775 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.322 0.264 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.639 1.289 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.421 1.975 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.878 0.258 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.126 -0.526 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.552 0.149 -0.462 1.00 0.00 H new ATOM 29 N VAL A 3 -5.379 4.251 0.286 1.00 0.00 N ATOM 30 CA VAL A 3 -5.545 5.155 -0.884 1.00 0.00 C ATOM 31 C VAL A 3 -5.266 6.592 -0.444 1.00 0.00 C ATOM 32 O VAL A 3 -4.413 7.264 -0.988 1.00 0.00 O ATOM 33 CB VAL A 3 -6.976 5.056 -1.418 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.976 5.330 -2.922 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.525 3.650 -1.162 1.00 0.00 C ATOM 0 H VAL A 3 -6.245 3.871 0.668 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.849 4.864 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.602 5.789 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.994 5.260 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.586 6.330 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.348 4.595 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.544 3.582 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.898 2.917 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.524 3.449 -0.091 1.00 0.00 H new ATOM 45 N GLU A 4 -5.975 7.064 0.543 1.00 0.00 N ATOM 46 CA GLU A 4 -5.746 8.455 1.023 1.00 0.00 C ATOM 47 C GLU A 4 -4.438 8.505 1.810 1.00 0.00 C ATOM 48 O GLU A 4 -3.863 9.555 2.018 1.00 0.00 O ATOM 49 CB GLU A 4 -6.903 8.881 1.928 1.00 0.00 C ATOM 50 CG GLU A 4 -8.080 9.348 1.071 1.00 0.00 C ATOM 51 CD GLU A 4 -8.482 8.233 0.104 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.765 8.026 -0.861 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.498 7.605 0.346 1.00 0.00 O ATOM 0 H GLU A 4 -6.702 6.547 1.038 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.687 9.132 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.209 8.048 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.582 9.684 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.924 9.614 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.806 10.244 0.515 1.00 0.00 H new ATOM 60 N GLN A 5 -3.962 7.375 2.250 1.00 0.00 N ATOM 61 CA GLN A 5 -2.689 7.350 3.023 1.00 0.00 C ATOM 62 C GLN A 5 -1.511 7.485 2.062 1.00 0.00 C ATOM 63 O GLN A 5 -0.500 8.083 2.375 1.00 0.00 O ATOM 64 CB GLN A 5 -2.579 6.028 3.789 1.00 0.00 C ATOM 65 CG GLN A 5 -1.691 6.223 5.020 1.00 0.00 C ATOM 66 CD GLN A 5 -1.912 5.066 5.998 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.005 4.546 6.104 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.913 4.640 6.723 1.00 0.00 N ATOM 0 H GLN A 5 -4.400 6.465 2.108 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.677 8.178 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.569 5.688 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.160 5.256 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.643 6.267 4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.925 7.172 5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.004 5.077 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.050 3.871 7.378 1.00 0.00 H new ATOM 77 N CYS A 6 -1.640 6.936 0.890 1.00 0.00 N ATOM 78 CA CYS A 6 -0.536 7.030 -0.106 1.00 0.00 C ATOM 79 C CYS A 6 -0.915 8.040 -1.185 1.00 0.00 C ATOM 80 O CYS A 6 -0.070 8.651 -1.808 1.00 0.00 O ATOM 81 CB CYS A 6 -0.302 5.659 -0.744 1.00 0.00 C ATOM 82 SG CYS A 6 -0.072 4.420 0.555 1.00 0.00 S ATOM 0 H CYS A 6 -2.464 6.424 0.576 1.00 0.00 H new ATOM 0 HA CYS A 6 0.378 7.355 0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.151 5.389 -1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.576 5.692 -1.390 1.00 0.00 H new ATOM 87 N CYS A 7 -2.185 8.223 -1.403 1.00 0.00 N ATOM 88 CA CYS A 7 -2.633 9.196 -2.435 1.00 0.00 C ATOM 89 C CYS A 7 -2.844 10.560 -1.774 1.00 0.00 C ATOM 90 O CYS A 7 -2.297 11.557 -2.202 1.00 0.00 O ATOM 91 CB CYS A 7 -3.937 8.699 -3.063 1.00 0.00 C ATOM 92 SG CYS A 7 -4.199 9.525 -4.653 1.00 0.00 S ATOM 0 H CYS A 7 -2.935 7.739 -0.909 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.880 9.292 -3.217 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.895 7.619 -3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.774 8.901 -2.395 1.00 0.00 H new ATOM 97 N THR A 8 -3.610 10.611 -0.718 1.00 0.00 N ATOM 98 CA THR A 8 -3.822 11.909 -0.019 1.00 0.00 C ATOM 99 C THR A 8 -2.540 12.245 0.757 1.00 0.00 C ATOM 100 O THR A 8 -2.330 13.364 1.183 1.00 0.00 O ATOM 101 CB THR A 8 -5.041 11.786 0.924 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.145 12.461 0.341 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.750 12.399 2.300 1.00 0.00 C ATOM 0 H THR A 8 -4.096 9.812 -0.311 1.00 0.00 H new ATOM 0 HA THR A 8 -4.029 12.712 -0.727 1.00 0.00 H new ATOM 0 HB THR A 8 -5.263 10.728 1.061 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.923 12.386 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.628 12.295 2.938 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.906 11.882 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.509 13.456 2.184 1.00 0.00 H new ATOM 111 N SER A 9 -1.680 11.277 0.931 1.00 0.00 N ATOM 112 CA SER A 9 -0.403 11.514 1.660 1.00 0.00 C ATOM 113 C SER A 9 0.650 10.537 1.126 1.00 0.00 C ATOM 114 O SER A 9 0.707 10.271 -0.058 1.00 0.00 O ATOM 115 CB SER A 9 -0.619 11.282 3.156 1.00 0.00 C ATOM 116 OG SER A 9 0.539 11.697 3.868 1.00 0.00 O ATOM 0 H SER A 9 -1.811 10.323 0.595 1.00 0.00 H new ATOM 0 HA SER A 9 -0.066 12.539 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.490 11.839 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.819 10.228 3.347 1.00 0.00 H new ATOM 0 HG SER A 9 0.403 11.551 4.827 1.00 0.00 H new ATOM 122 N ILE A 10 1.479 9.989 1.975 1.00 0.00 N ATOM 123 CA ILE A 10 2.503 9.026 1.477 1.00 0.00 C ATOM 124 C ILE A 10 2.588 7.817 2.402 1.00 0.00 C ATOM 125 O ILE A 10 2.147 7.850 3.533 1.00 0.00 O ATOM 126 CB ILE A 10 3.883 9.678 1.439 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.865 10.912 0.549 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.889 8.682 0.889 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.824 12.150 1.434 1.00 0.00 C ATOM 0 H ILE A 10 1.492 10.164 2.980 1.00 0.00 H new ATOM 0 HA ILE A 10 2.204 8.720 0.475 1.00 0.00 H new ATOM 0 HB ILE A 10 4.161 9.976 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.749 10.932 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.998 10.890 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.877 9.142 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.918 7.802 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.596 8.387 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.811 13.043 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.926 12.126 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.705 12.168 2.075 1.00 0.00 H new ATOM 141 N CYS A 11 3.184 6.758 1.931 1.00 0.00 N ATOM 142 CA CYS A 11 3.338 5.549 2.788 1.00 0.00 C ATOM 143 C CYS A 11 4.652 4.853 2.448 1.00 0.00 C ATOM 144 O CYS A 11 5.234 5.071 1.404 1.00 0.00 O ATOM 145 CB CYS A 11 2.190 4.568 2.559 1.00 0.00 C ATOM 146 SG CYS A 11 0.683 5.465 2.111 1.00 0.00 S ATOM 0 H CYS A 11 3.571 6.677 0.991 1.00 0.00 H new ATOM 0 HA CYS A 11 3.331 5.865 3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.454 3.867 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.018 3.981 3.461 1.00 0.00 H new ATOM 151 N SER A 12 5.113 4.007 3.320 1.00 0.00 N ATOM 152 CA SER A 12 6.384 3.278 3.060 1.00 0.00 C ATOM 153 C SER A 12 6.066 1.813 2.772 1.00 0.00 C ATOM 154 O SER A 12 5.182 1.234 3.371 1.00 0.00 O ATOM 155 CB SER A 12 7.291 3.371 4.287 1.00 0.00 C ATOM 156 OG SER A 12 6.875 2.413 5.252 1.00 0.00 O ATOM 0 H SER A 12 4.662 3.786 4.208 1.00 0.00 H new ATOM 0 HA SER A 12 6.893 3.722 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.327 3.191 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.247 4.374 4.711 1.00 0.00 H new ATOM 0 HG SER A 12 7.456 2.469 6.040 1.00 0.00 H new ATOM 162 N LEU A 13 6.770 1.208 1.858 1.00 0.00 N ATOM 163 CA LEU A 13 6.491 -0.218 1.541 1.00 0.00 C ATOM 164 C LEU A 13 6.358 -0.991 2.849 1.00 0.00 C ATOM 165 O LEU A 13 5.547 -1.888 2.974 1.00 0.00 O ATOM 166 CB LEU A 13 7.611 -0.786 0.649 1.00 0.00 C ATOM 167 CG LEU A 13 8.401 -1.893 1.363 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.265 -2.644 0.350 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.299 -1.271 2.431 1.00 0.00 C ATOM 0 H LEU A 13 7.523 1.637 1.319 1.00 0.00 H new ATOM 0 HA LEU A 13 5.557 -0.312 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.179 -1.182 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.289 0.017 0.361 1.00 0.00 H new ATOM 0 HG LEU A 13 7.704 -2.588 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.824 -3.429 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.627 -3.090 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.961 -1.949 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.860 -2.057 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.994 -0.574 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.685 -0.737 3.157 1.00 0.00 H new ATOM 181 N TYR A 14 7.126 -0.631 3.833 1.00 0.00 N ATOM 182 CA TYR A 14 7.012 -1.329 5.138 1.00 0.00 C ATOM 183 C TYR A 14 5.548 -1.270 5.552 1.00 0.00 C ATOM 184 O TYR A 14 4.969 -2.238 6.003 1.00 0.00 O ATOM 185 CB TYR A 14 7.874 -0.622 6.184 1.00 0.00 C ATOM 186 CG TYR A 14 8.536 -1.650 7.067 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.764 -2.414 7.952 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.922 -1.841 6.999 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.379 -3.371 8.771 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.537 -2.798 7.817 1.00 0.00 C ATOM 191 CZ TYR A 14 9.767 -3.563 8.703 1.00 0.00 C ATOM 192 OH TYR A 14 10.373 -4.505 9.509 1.00 0.00 O ATOM 0 H TYR A 14 7.824 0.112 3.792 1.00 0.00 H new ATOM 0 HA TYR A 14 7.353 -2.361 5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.629 -0.008 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.259 0.048 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.695 -2.266 8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.516 -1.251 6.317 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.785 -3.960 9.454 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.606 -2.946 7.765 1.00 0.00 H new ATOM 0 HH TYR A 14 11.338 -4.511 9.336 1.00 0.00 H new ATOM 202 N GLN A 15 4.942 -0.131 5.367 1.00 0.00 N ATOM 203 CA GLN A 15 3.507 0.024 5.707 1.00 0.00 C ATOM 204 C GLN A 15 2.684 -0.693 4.642 1.00 0.00 C ATOM 205 O GLN A 15 1.565 -1.107 4.868 1.00 0.00 O ATOM 206 CB GLN A 15 3.159 1.512 5.705 1.00 0.00 C ATOM 207 CG GLN A 15 3.839 2.202 6.889 1.00 0.00 C ATOM 208 CD GLN A 15 3.507 3.694 6.867 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.330 4.506 6.493 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.326 4.095 7.254 1.00 0.00 N ATOM 0 H GLN A 15 5.387 0.706 4.991 1.00 0.00 H new ATOM 0 HA GLN A 15 3.295 -0.398 6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.482 1.970 4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.079 1.643 5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.502 1.757 7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.918 2.058 6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.634 3.415 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.096 5.089 7.242 1.00 0.00 H new ATOM 219 N LEU A 16 3.250 -0.848 3.481 1.00 0.00 N ATOM 220 CA LEU A 16 2.542 -1.540 2.381 1.00 0.00 C ATOM 221 C LEU A 16 2.591 -3.040 2.639 1.00 0.00 C ATOM 222 O LEU A 16 1.682 -3.772 2.300 1.00 0.00 O ATOM 223 CB LEU A 16 3.231 -1.211 1.057 1.00 0.00 C ATOM 224 CG LEU A 16 3.147 0.300 0.769 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.023 0.511 -0.735 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.921 0.922 1.454 1.00 0.00 C ATOM 0 H LEU A 16 4.187 -0.519 3.248 1.00 0.00 H new ATOM 0 HA LEU A 16 1.503 -1.214 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.275 -1.523 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.761 -1.769 0.247 1.00 0.00 H new ATOM 0 HG LEU A 16 4.047 0.777 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.963 1.578 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.895 0.089 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.122 0.017 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.884 1.989 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.015 0.444 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.993 0.775 2.532 1.00 0.00 H new ATOM 238 N GLU A 17 3.641 -3.503 3.259 1.00 0.00 N ATOM 239 CA GLU A 17 3.737 -4.951 3.562 1.00 0.00 C ATOM 240 C GLU A 17 2.657 -5.296 4.582 1.00 0.00 C ATOM 241 O GLU A 17 2.271 -6.436 4.738 1.00 0.00 O ATOM 242 CB GLU A 17 5.118 -5.268 4.142 1.00 0.00 C ATOM 243 CG GLU A 17 6.149 -5.299 3.013 1.00 0.00 C ATOM 244 CD GLU A 17 7.274 -6.270 3.376 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.652 -6.302 4.535 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.740 -6.965 2.487 1.00 0.00 O ATOM 0 H GLU A 17 4.433 -2.939 3.567 1.00 0.00 H new ATOM 0 HA GLU A 17 3.598 -5.537 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.395 -4.517 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.097 -6.229 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.675 -5.607 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.555 -4.301 2.849 1.00 0.00 H new ATOM 253 N ASN A 18 2.158 -4.305 5.272 1.00 0.00 N ATOM 254 CA ASN A 18 1.092 -4.564 6.277 1.00 0.00 C ATOM 255 C ASN A 18 -0.220 -4.866 5.549 1.00 0.00 C ATOM 256 O ASN A 18 -1.165 -5.364 6.129 1.00 0.00 O ATOM 257 CB ASN A 18 0.912 -3.331 7.167 1.00 0.00 C ATOM 258 CG ASN A 18 2.136 -3.167 8.069 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.100 -3.897 7.943 1.00 0.00 O ATOM 260 ND2 ASN A 18 2.140 -2.232 8.979 1.00 0.00 N ATOM 0 H ASN A 18 2.443 -3.330 5.182 1.00 0.00 H new ATOM 0 HA ASN A 18 1.373 -5.415 6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.780 -2.441 6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.012 -3.436 7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.952 -2.113 9.585 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.331 -1.620 9.085 1.00 0.00 H new ATOM 267 N TYR A 19 -0.281 -4.569 4.278 1.00 0.00 N ATOM 268 CA TYR A 19 -1.528 -4.838 3.506 1.00 0.00 C ATOM 269 C TYR A 19 -1.440 -6.221 2.857 1.00 0.00 C ATOM 270 O TYR A 19 -2.291 -6.606 2.079 1.00 0.00 O ATOM 271 CB TYR A 19 -1.680 -3.778 2.415 1.00 0.00 C ATOM 272 CG TYR A 19 -1.949 -2.436 3.047 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.879 -1.623 3.437 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.266 -2.001 3.239 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.124 -0.373 4.019 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.513 -0.752 3.822 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.441 0.063 4.212 1.00 0.00 C ATOM 278 OH TYR A 19 -2.683 1.295 4.786 1.00 0.00 O ATOM 0 H TYR A 19 0.479 -4.152 3.741 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.387 -4.806 4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.774 -3.731 1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.497 -4.046 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.136 -1.960 3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.091 -2.629 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.298 0.255 4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.529 -0.417 3.971 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.650 1.444 4.846 1.00 0.00 H new ATOM 288 N CYS A 20 -0.415 -6.968 3.163 1.00 0.00 N ATOM 289 CA CYS A 20 -0.268 -8.321 2.557 1.00 0.00 C ATOM 290 C CYS A 20 -1.363 -9.247 3.085 1.00 0.00 C ATOM 291 O CYS A 20 -1.923 -9.027 4.141 1.00 0.00 O ATOM 292 CB CYS A 20 1.104 -8.889 2.923 1.00 0.00 C ATOM 293 SG CYS A 20 2.391 -7.773 2.316 1.00 0.00 S ATOM 0 H CYS A 20 0.328 -6.699 3.808 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.357 -8.245 1.473 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.186 -9.005 4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.229 -9.880 2.486 1.00 0.00 H new ATOM 298 N ASN A 21 -1.673 -10.286 2.356 1.00 0.00 N ATOM 299 CA ASN A 21 -2.731 -11.228 2.816 1.00 0.00 C ATOM 300 C ASN A 21 -2.104 -12.302 3.706 1.00 0.00 C ATOM 301 O ASN A 21 -0.933 -12.173 4.022 1.00 0.00 O ATOM 302 CB ASN A 21 -3.386 -11.891 1.603 1.00 0.00 C ATOM 303 CG ASN A 21 -4.855 -11.476 1.528 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.174 -10.368 0.919 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -5.721 -12.166 2.027 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -2.806 -13.236 4.058 1.00 0.00 O ATOM 0 H ASN A 21 -1.239 -10.522 1.463 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.484 -10.680 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.867 -11.598 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.307 -12.975 1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.471 -13.033 2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.698 -11.879 1.970 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.832 0.577 0.733 1.00 0.00 N ATOM 315 CA PHE B 1 11.864 1.474 0.041 1.00 0.00 C ATOM 316 C PHE B 1 11.804 2.819 0.770 1.00 0.00 C ATOM 317 O PHE B 1 12.586 3.090 1.659 1.00 0.00 O ATOM 318 CB PHE B 1 10.476 0.832 0.049 1.00 0.00 C ATOM 319 CG PHE B 1 10.143 0.319 -1.332 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.120 -0.335 -2.095 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.853 0.495 -1.852 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.807 -0.812 -3.376 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.540 0.018 -3.132 1.00 0.00 C ATOM 324 CZ PHE B 1 9.517 -0.635 -3.894 1.00 0.00 C ATOM 0 H1 PHE B 1 13.752 0.620 0.250 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.945 0.884 1.720 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.476 -0.400 0.713 1.00 0.00 H new ATOM 0 HA PHE B 1 12.187 1.630 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.448 0.013 0.768 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.730 1.560 0.366 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.114 -0.472 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.099 0.999 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.560 -1.316 -3.963 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.546 0.154 -3.531 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.276 -1.002 -4.881 1.00 0.00 H new ATOM 336 N VAL B 2 10.879 3.660 0.398 1.00 0.00 N ATOM 337 CA VAL B 2 10.758 4.984 1.056 1.00 0.00 C ATOM 338 C VAL B 2 9.326 5.488 0.871 1.00 0.00 C ATOM 339 O VAL B 2 8.552 4.928 0.119 1.00 0.00 O ATOM 340 CB VAL B 2 11.762 5.955 0.413 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.944 5.600 -1.063 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.265 7.398 0.520 1.00 0.00 C ATOM 0 H VAL B 2 10.198 3.482 -0.340 1.00 0.00 H new ATOM 0 HA VAL B 2 10.977 4.910 2.121 1.00 0.00 H new ATOM 0 HB VAL B 2 12.712 5.867 0.941 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.656 6.289 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.320 4.581 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.986 5.677 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.991 8.068 0.059 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.308 7.492 0.008 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.142 7.664 1.570 1.00 0.00 H new ATOM 352 N ASN B 3 8.970 6.539 1.545 1.00 0.00 N ATOM 353 CA ASN B 3 7.584 7.074 1.396 1.00 0.00 C ATOM 354 C ASN B 3 7.345 7.407 -0.082 1.00 0.00 C ATOM 355 O ASN B 3 8.177 8.007 -0.734 1.00 0.00 O ATOM 356 CB ASN B 3 7.377 8.338 2.254 1.00 0.00 C ATOM 357 CG ASN B 3 8.405 8.391 3.387 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.449 7.511 4.224 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.238 9.393 3.450 1.00 0.00 N ATOM 0 H ASN B 3 9.570 7.052 2.190 1.00 0.00 H new ATOM 0 HA ASN B 3 6.875 6.320 1.737 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.468 9.227 1.630 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.369 8.342 2.669 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.926 9.438 4.202 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.201 10.132 2.748 1.00 0.00 H new ATOM 366 N GLN B 4 6.219 7.020 -0.616 1.00 0.00 N ATOM 367 CA GLN B 4 5.930 7.312 -2.048 1.00 0.00 C ATOM 368 C GLN B 4 4.435 7.595 -2.216 1.00 0.00 C ATOM 369 O GLN B 4 3.598 6.886 -1.691 1.00 0.00 O ATOM 370 CB GLN B 4 6.319 6.101 -2.901 1.00 0.00 C ATOM 371 CG GLN B 4 6.986 6.577 -4.193 1.00 0.00 C ATOM 372 CD GLN B 4 7.002 5.433 -5.210 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.976 5.068 -5.748 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.133 4.849 -5.498 1.00 0.00 N ATOM 0 H GLN B 4 5.485 6.513 -0.121 1.00 0.00 H new ATOM 0 HA GLN B 4 6.504 8.182 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.999 5.455 -2.345 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.435 5.508 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.446 7.432 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.003 6.910 -3.988 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.995 5.155 -5.046 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.155 4.086 -6.175 1.00 0.00 H new ATOM 383 N HIS B 5 4.094 8.629 -2.934 1.00 0.00 N ATOM 384 CA HIS B 5 2.655 8.959 -3.129 1.00 0.00 C ATOM 385 C HIS B 5 2.035 7.962 -4.108 1.00 0.00 C ATOM 386 O HIS B 5 2.488 7.810 -5.225 1.00 0.00 O ATOM 387 CB HIS B 5 2.528 10.372 -3.695 1.00 0.00 C ATOM 388 CG HIS B 5 2.507 11.372 -2.572 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.334 11.702 -1.925 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.509 12.108 -2.003 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.652 12.616 -0.997 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.971 12.895 -1.007 1.00 0.00 N ATOM 0 H HIS B 5 4.750 9.260 -3.394 1.00 0.00 H new ATOM 0 HA HIS B 5 2.136 8.903 -2.172 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.362 10.581 -4.365 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.616 10.456 -4.286 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.406 11.324 -2.115 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.551 12.078 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.940 13.072 -0.325 1.00 0.00 H new ATOM 400 N LEU B 6 1.007 7.275 -3.694 1.00 0.00 N ATOM 401 CA LEU B 6 0.357 6.277 -4.590 1.00 0.00 C ATOM 402 C LEU B 6 -1.159 6.493 -4.594 1.00 0.00 C ATOM 403 O LEU B 6 -1.673 7.301 -3.851 1.00 0.00 O ATOM 404 CB LEU B 6 0.667 4.878 -4.070 1.00 0.00 C ATOM 405 CG LEU B 6 1.784 4.242 -4.893 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.878 5.260 -5.199 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.387 3.088 -4.104 1.00 0.00 C ATOM 0 H LEU B 6 0.587 7.362 -2.769 1.00 0.00 H new ATOM 0 HA LEU B 6 0.736 6.393 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.962 4.929 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.228 4.258 -4.119 1.00 0.00 H new ATOM 0 HG LEU B 6 1.365 3.884 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.664 4.784 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.455 6.090 -5.764 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.299 5.634 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.186 2.628 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.792 3.462 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.616 2.346 -3.897 1.00 0.00 H new ATOM 419 N CYS B 7 -1.882 5.778 -5.421 1.00 0.00 N ATOM 420 CA CYS B 7 -3.366 5.966 -5.451 1.00 0.00 C ATOM 421 C CYS B 7 -4.077 4.687 -5.909 1.00 0.00 C ATOM 422 O CYS B 7 -4.701 3.998 -5.128 1.00 0.00 O ATOM 423 CB CYS B 7 -3.721 7.106 -6.412 1.00 0.00 C ATOM 424 SG CYS B 7 -2.884 8.628 -5.899 1.00 0.00 S ATOM 0 H CYS B 7 -1.515 5.081 -6.069 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.697 6.207 -4.441 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.425 6.843 -7.428 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.800 7.260 -6.424 1.00 0.00 H new ATOM 429 N GLY B 8 -4.022 4.387 -7.174 1.00 0.00 N ATOM 430 CA GLY B 8 -4.730 3.174 -7.688 1.00 0.00 C ATOM 431 C GLY B 8 -3.739 2.097 -8.148 1.00 0.00 C ATOM 432 O GLY B 8 -3.153 1.397 -7.347 1.00 0.00 O ATOM 0 H GLY B 8 -3.519 4.926 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.373 2.768 -6.907 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.377 3.454 -8.520 1.00 0.00 H new ATOM 436 N SER B 9 -3.559 1.946 -9.438 1.00 0.00 N ATOM 437 CA SER B 9 -2.622 0.903 -9.946 1.00 0.00 C ATOM 438 C SER B 9 -1.340 0.969 -9.140 1.00 0.00 C ATOM 439 O SER B 9 -0.924 0.019 -8.509 1.00 0.00 O ATOM 440 CB SER B 9 -2.317 1.163 -11.422 1.00 0.00 C ATOM 441 OG SER B 9 -3.534 1.187 -12.156 1.00 0.00 O ATOM 0 H SER B 9 -4.021 2.501 -10.158 1.00 0.00 H new ATOM 0 HA SER B 9 -3.073 -0.084 -9.846 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.792 2.112 -11.535 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.659 0.386 -11.812 1.00 0.00 H new ATOM 0 HG SER B 9 -3.342 1.355 -13.102 1.00 0.00 H new ATOM 447 N HIS B 10 -0.718 2.099 -9.147 1.00 0.00 N ATOM 448 CA HIS B 10 0.544 2.262 -8.375 1.00 0.00 C ATOM 449 C HIS B 10 0.324 1.929 -6.883 1.00 0.00 C ATOM 450 O HIS B 10 1.267 1.874 -6.120 1.00 0.00 O ATOM 451 CB HIS B 10 1.088 3.693 -8.521 1.00 0.00 C ATOM 452 CG HIS B 10 -0.008 4.668 -8.859 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.323 4.730 -8.482 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.230 5.737 -9.697 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.902 5.831 -9.081 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.923 6.408 -9.806 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.025 2.928 -9.656 1.00 0.00 H new ATOM 0 HA HIS B 10 1.277 1.565 -8.781 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.572 3.996 -7.593 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.850 3.716 -9.300 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.167 5.985 -10.174 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.926 6.161 -8.988 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.046 7.251 -10.368 1.00 0.00 H new ATOM 464 N LEU B 11 -0.889 1.648 -6.463 1.00 0.00 N ATOM 465 CA LEU B 11 -1.116 1.271 -5.039 1.00 0.00 C ATOM 466 C LEU B 11 -1.158 -0.230 -5.007 1.00 0.00 C ATOM 467 O LEU B 11 -0.439 -0.889 -4.283 1.00 0.00 O ATOM 468 CB LEU B 11 -2.457 1.817 -4.529 1.00 0.00 C ATOM 469 CG LEU B 11 -2.235 3.051 -3.653 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.538 3.398 -2.935 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.164 2.749 -2.603 1.00 0.00 C ATOM 0 H LEU B 11 -1.726 1.665 -7.046 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.329 1.682 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.097 2.074 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.976 1.047 -3.958 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.915 3.884 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.385 4.277 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.314 3.607 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.845 2.558 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.007 3.629 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.490 1.916 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.231 2.486 -3.101 1.00 0.00 H new ATOM 483 N VAL B 12 -1.978 -0.770 -5.843 1.00 0.00 N ATOM 484 CA VAL B 12 -2.066 -2.229 -5.945 1.00 0.00 C ATOM 485 C VAL B 12 -0.719 -2.704 -6.450 1.00 0.00 C ATOM 486 O VAL B 12 -0.267 -3.794 -6.162 1.00 0.00 O ATOM 487 CB VAL B 12 -3.167 -2.588 -6.947 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.337 -1.618 -6.788 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.627 -2.490 -8.380 1.00 0.00 C ATOM 0 H VAL B 12 -2.598 -0.253 -6.467 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.306 -2.695 -4.989 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.501 -3.608 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.121 -1.873 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.732 -1.687 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.994 -0.600 -6.975 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.417 -2.747 -9.085 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.287 -1.472 -8.572 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.793 -3.181 -8.502 1.00 0.00 H new ATOM 499 N GLU B 13 -0.071 -1.859 -7.198 1.00 0.00 N ATOM 500 CA GLU B 13 1.255 -2.213 -7.725 1.00 0.00 C ATOM 501 C GLU B 13 2.241 -2.133 -6.568 1.00 0.00 C ATOM 502 O GLU B 13 3.039 -3.022 -6.347 1.00 0.00 O ATOM 503 CB GLU B 13 1.654 -1.236 -8.830 1.00 0.00 C ATOM 504 CG GLU B 13 0.866 -1.558 -10.100 1.00 0.00 C ATOM 505 CD GLU B 13 1.489 -0.825 -11.289 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.618 -1.142 -11.629 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.830 0.041 -11.839 1.00 0.00 O ATOM 0 H GLU B 13 -0.412 -0.935 -7.464 1.00 0.00 H new ATOM 0 HA GLU B 13 1.248 -3.217 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.455 -0.212 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.724 -1.307 -9.025 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.870 -2.633 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.175 -1.259 -9.980 1.00 0.00 H new ATOM 514 N ALA B 14 2.160 -1.077 -5.803 1.00 0.00 N ATOM 515 CA ALA B 14 3.052 -0.936 -4.630 1.00 0.00 C ATOM 516 C ALA B 14 2.845 -2.145 -3.727 1.00 0.00 C ATOM 517 O ALA B 14 3.778 -2.823 -3.345 1.00 0.00 O ATOM 518 CB ALA B 14 2.662 0.326 -3.871 1.00 0.00 C ATOM 0 H ALA B 14 1.509 -0.305 -5.946 1.00 0.00 H new ATOM 0 HA ALA B 14 4.094 -0.872 -4.943 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.311 0.444 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.770 1.192 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.626 0.247 -3.541 1.00 0.00 H new ATOM 524 N LEU B 15 1.614 -2.422 -3.391 1.00 0.00 N ATOM 525 CA LEU B 15 1.327 -3.591 -2.519 1.00 0.00 C ATOM 526 C LEU B 15 1.772 -4.858 -3.231 1.00 0.00 C ATOM 527 O LEU B 15 2.472 -5.684 -2.681 1.00 0.00 O ATOM 528 CB LEU B 15 -0.177 -3.670 -2.227 1.00 0.00 C ATOM 529 CG LEU B 15 -0.684 -2.421 -1.473 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.448 -2.869 -0.230 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.474 -1.523 -1.025 1.00 0.00 C ATOM 0 H LEU B 15 0.796 -1.888 -3.684 1.00 0.00 H new ATOM 0 HA LEU B 15 1.865 -3.484 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.724 -3.775 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.385 -4.561 -1.635 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.323 -1.855 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.810 -1.994 0.310 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.294 -3.488 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.786 -3.445 0.416 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.078 -0.655 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.132 -2.082 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.037 -1.192 -1.898 1.00 0.00 H new ATOM 543 N TYR B 16 1.376 -5.017 -4.456 1.00 0.00 N ATOM 544 CA TYR B 16 1.787 -6.235 -5.203 1.00 0.00 C ATOM 545 C TYR B 16 3.312 -6.305 -5.243 1.00 0.00 C ATOM 546 O TYR B 16 3.889 -7.342 -5.508 1.00 0.00 O ATOM 547 CB TYR B 16 1.244 -6.179 -6.634 1.00 0.00 C ATOM 548 CG TYR B 16 1.898 -7.260 -7.456 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.513 -8.596 -7.288 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.899 -6.928 -8.378 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.128 -9.602 -8.045 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.513 -7.933 -9.136 1.00 0.00 C ATOM 553 CZ TYR B 16 3.128 -9.271 -8.969 1.00 0.00 C ATOM 554 OH TYR B 16 3.733 -10.262 -9.714 1.00 0.00 O ATOM 0 H TYR B 16 0.789 -4.362 -4.973 1.00 0.00 H new ATOM 0 HA TYR B 16 1.386 -7.117 -4.704 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.162 -6.313 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.443 -5.201 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.743 -8.851 -6.575 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.197 -5.898 -8.504 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.831 -10.632 -7.916 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.283 -7.678 -9.849 1.00 0.00 H new ATOM 0 HH TYR B 16 4.403 -9.862 -10.307 1.00 0.00 H new ATOM 564 N LEU B 17 3.972 -5.213 -4.980 1.00 0.00 N ATOM 565 CA LEU B 17 5.459 -5.226 -5.004 1.00 0.00 C ATOM 566 C LEU B 17 5.981 -5.371 -3.577 1.00 0.00 C ATOM 567 O LEU B 17 7.039 -5.922 -3.346 1.00 0.00 O ATOM 568 CB LEU B 17 5.975 -3.924 -5.623 1.00 0.00 C ATOM 569 CG LEU B 17 7.158 -4.226 -6.547 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.767 -5.317 -7.544 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.539 -2.961 -7.315 1.00 0.00 C ATOM 0 H LEU B 17 3.547 -4.315 -4.750 1.00 0.00 H new ATOM 0 HA LEU B 17 5.811 -6.065 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.178 -3.436 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.281 -3.233 -4.838 1.00 0.00 H new ATOM 0 HG LEU B 17 8.004 -4.564 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.611 -5.530 -8.200 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.491 -6.222 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.920 -4.978 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.381 -3.175 -7.973 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.689 -2.627 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.819 -2.178 -6.610 1.00 0.00 H new ATOM 583 N VAL B 18 5.243 -4.896 -2.614 1.00 0.00 N ATOM 584 CA VAL B 18 5.699 -5.030 -1.205 1.00 0.00 C ATOM 585 C VAL B 18 5.346 -6.429 -0.711 1.00 0.00 C ATOM 586 O VAL B 18 6.080 -7.044 0.038 1.00 0.00 O ATOM 587 CB VAL B 18 5.006 -3.978 -0.337 1.00 0.00 C ATOM 588 CG1 VAL B 18 4.977 -2.644 -1.080 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.571 -4.415 -0.026 1.00 0.00 C ATOM 0 H VAL B 18 4.348 -4.423 -2.741 1.00 0.00 H new ATOM 0 HA VAL B 18 6.777 -4.878 -1.144 1.00 0.00 H new ATOM 0 HB VAL B 18 5.558 -3.869 0.597 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.483 -1.894 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.997 -2.324 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.430 -2.760 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.086 -3.659 0.592 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.016 -4.532 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.588 -5.365 0.508 1.00 0.00 H new ATOM 599 N CYS B 19 4.224 -6.935 -1.134 1.00 0.00 N ATOM 600 CA CYS B 19 3.808 -8.297 -0.704 1.00 0.00 C ATOM 601 C CYS B 19 4.330 -9.322 -1.711 1.00 0.00 C ATOM 602 O CYS B 19 4.398 -10.503 -1.434 1.00 0.00 O ATOM 603 CB CYS B 19 2.281 -8.364 -0.644 1.00 0.00 C ATOM 604 SG CYS B 19 1.681 -7.131 0.537 1.00 0.00 S ATOM 0 H CYS B 19 3.574 -6.462 -1.762 1.00 0.00 H new ATOM 0 HA CYS B 19 4.217 -8.516 0.282 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.857 -8.177 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.960 -9.361 -0.343 1.00 0.00 H new ATOM 609 N GLY B 20 4.704 -8.874 -2.878 1.00 0.00 N ATOM 610 CA GLY B 20 5.228 -9.816 -3.907 1.00 0.00 C ATOM 611 C GLY B 20 4.138 -10.814 -4.300 1.00 0.00 C ATOM 612 O GLY B 20 3.025 -10.442 -4.614 1.00 0.00 O ATOM 0 H GLY B 20 4.669 -7.895 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.560 -9.262 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.097 -10.347 -3.518 1.00 0.00 H new ATOM 616 N GLU B 21 4.452 -12.081 -4.291 1.00 0.00 N ATOM 617 CA GLU B 21 3.437 -13.105 -4.670 1.00 0.00 C ATOM 618 C GLU B 21 2.367 -13.198 -3.579 1.00 0.00 C ATOM 619 O GLU B 21 1.245 -13.589 -3.831 1.00 0.00 O ATOM 620 CB GLU B 21 4.121 -14.464 -4.829 1.00 0.00 C ATOM 621 CG GLU B 21 4.734 -14.888 -3.492 1.00 0.00 C ATOM 622 CD GLU B 21 6.260 -14.839 -3.591 1.00 0.00 C ATOM 623 OE1 GLU B 21 6.781 -15.241 -4.618 1.00 0.00 O ATOM 624 OE2 GLU B 21 6.881 -14.400 -2.637 1.00 0.00 O ATOM 0 H GLU B 21 5.368 -12.451 -4.037 1.00 0.00 H new ATOM 0 HA GLU B 21 2.969 -12.819 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.399 -15.209 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.895 -14.406 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.389 -14.228 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.408 -15.896 -3.234 1.00 0.00 H new ATOM 631 N ARG B 22 2.703 -12.844 -2.368 1.00 0.00 N ATOM 632 CA ARG B 22 1.699 -12.914 -1.268 1.00 0.00 C ATOM 633 C ARG B 22 0.465 -12.103 -1.655 1.00 0.00 C ATOM 634 O ARG B 22 -0.647 -12.426 -1.287 1.00 0.00 O ATOM 635 CB ARG B 22 2.304 -12.341 0.016 1.00 0.00 C ATOM 636 CG ARG B 22 2.284 -13.408 1.111 1.00 0.00 C ATOM 637 CD ARG B 22 1.289 -13.003 2.200 1.00 0.00 C ATOM 638 NE ARG B 22 0.871 -14.211 2.965 1.00 0.00 N ATOM 639 CZ ARG B 22 0.420 -15.260 2.333 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.825 -15.299 1.940 1.00 0.00 N ATOM 641 NH2 ARG B 22 1.212 -16.269 2.095 1.00 0.00 N ATOM 0 H ARG B 22 3.627 -12.510 -2.093 1.00 0.00 H new ATOM 0 HA ARG B 22 1.415 -13.953 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.327 -12.012 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.740 -11.465 0.337 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.004 -14.373 0.688 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.280 -13.524 1.538 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.744 -12.274 2.871 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.418 -12.524 1.752 1.00 0.00 H new ATOM 0 HE ARG B 22 0.937 -14.218 3.983 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.444 -14.510 2.127 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.178 -16.118 1.446 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.184 -16.238 2.403 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.859 -17.089 1.601 1.00 0.00 H new ATOM 655 N GLY B 23 0.659 -11.054 -2.394 1.00 0.00 N ATOM 656 CA GLY B 23 -0.494 -10.209 -2.814 1.00 0.00 C ATOM 657 C GLY B 23 -1.010 -9.417 -1.611 1.00 0.00 C ATOM 658 O GLY B 23 -0.385 -9.370 -0.570 1.00 0.00 O ATOM 0 H GLY B 23 1.570 -10.740 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.189 -9.527 -3.608 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.289 -10.835 -3.219 1.00 0.00 H new ATOM 662 N PHE B 24 -2.142 -8.784 -1.748 1.00 0.00 N ATOM 663 CA PHE B 24 -2.688 -7.985 -0.616 1.00 0.00 C ATOM 664 C PHE B 24 -4.206 -7.863 -0.755 1.00 0.00 C ATOM 665 O PHE B 24 -4.822 -8.522 -1.569 1.00 0.00 O ATOM 666 CB PHE B 24 -2.060 -6.590 -0.633 1.00 0.00 C ATOM 667 CG PHE B 24 -2.138 -6.019 -2.031 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.408 -6.608 -3.072 1.00 0.00 C ATOM 669 CD2 PHE B 24 -2.941 -4.900 -2.286 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.482 -6.080 -4.366 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.015 -4.372 -3.584 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.285 -4.963 -4.624 1.00 0.00 C ATOM 0 H PHE B 24 -2.712 -8.786 -2.594 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.453 -8.482 0.325 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.580 -5.937 0.068 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.021 -6.643 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.788 -7.470 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.503 -4.444 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.918 -6.535 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.635 -3.510 -3.782 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.342 -4.557 -5.623 1.00 0.00 H new ATOM 682 N PHE B 25 -4.812 -7.022 0.036 1.00 0.00 N ATOM 683 CA PHE B 25 -6.290 -6.851 -0.042 1.00 0.00 C ATOM 684 C PHE B 25 -6.612 -5.519 -0.714 1.00 0.00 C ATOM 685 O PHE B 25 -7.381 -5.450 -1.653 1.00 0.00 O ATOM 686 CB PHE B 25 -6.874 -6.873 1.375 1.00 0.00 C ATOM 687 CG PHE B 25 -8.291 -6.347 1.357 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.128 -6.621 0.266 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.767 -5.586 2.432 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.442 -6.132 0.252 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.081 -5.097 2.417 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.917 -5.371 1.327 1.00 0.00 C ATOM 0 H PHE B 25 -4.346 -6.444 0.735 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.726 -7.661 -0.627 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.859 -7.890 1.768 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.260 -6.266 2.040 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.761 -7.208 -0.563 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.122 -5.376 3.272 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.088 -6.342 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.448 -4.509 3.245 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.929 -4.995 1.316 1.00 0.00 H new ATOM 702 N TYR B 26 -6.029 -4.463 -0.235 1.00 0.00 N ATOM 703 CA TYR B 26 -6.289 -3.121 -0.829 1.00 0.00 C ATOM 704 C TYR B 26 -7.787 -2.821 -0.779 1.00 0.00 C ATOM 705 O TYR B 26 -8.585 -3.471 -1.424 1.00 0.00 O ATOM 706 CB TYR B 26 -5.814 -3.097 -2.282 1.00 0.00 C ATOM 707 CG TYR B 26 -5.970 -1.700 -2.834 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.610 -0.594 -2.053 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.478 -1.509 -4.126 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.758 0.702 -2.562 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.625 -0.212 -4.636 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.265 0.893 -3.854 1.00 0.00 C ATOM 713 OH TYR B 26 -6.410 2.170 -4.357 1.00 0.00 O ATOM 0 H TYR B 26 -5.377 -4.468 0.549 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.746 -2.366 -0.260 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.771 -3.410 -2.341 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.393 -3.803 -2.878 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.218 -0.741 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.756 -2.361 -4.728 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.481 1.554 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.016 -0.064 -5.632 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.578 2.446 -4.795 1.00 0.00 H new ATOM 723 N THR B 27 -8.175 -1.837 -0.018 1.00 0.00 N ATOM 724 CA THR B 27 -9.619 -1.491 0.076 1.00 0.00 C ATOM 725 C THR B 27 -9.887 -0.209 -0.715 1.00 0.00 C ATOM 726 O THR B 27 -9.261 0.052 -1.722 1.00 0.00 O ATOM 727 CB THR B 27 -9.992 -1.279 1.545 1.00 0.00 C ATOM 728 OG1 THR B 27 -11.346 -0.857 1.634 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.080 -0.212 2.153 1.00 0.00 C ATOM 0 H THR B 27 -7.553 -1.256 0.544 1.00 0.00 H new ATOM 0 HA THR B 27 -10.220 -2.301 -0.338 1.00 0.00 H new ATOM 0 HB THR B 27 -9.869 -2.214 2.091 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.406 -0.071 2.217 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.345 -0.060 3.199 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.042 -0.539 2.085 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.202 0.724 1.608 1.00 0.00 H new ATOM 737 N LYS B 28 -10.810 0.596 -0.266 1.00 0.00 N ATOM 738 CA LYS B 28 -11.113 1.861 -0.992 1.00 0.00 C ATOM 739 C LYS B 28 -12.398 2.478 -0.431 1.00 0.00 C ATOM 740 O LYS B 28 -12.405 3.624 -0.028 1.00 0.00 O ATOM 741 CB LYS B 28 -11.287 1.572 -2.486 1.00 0.00 C ATOM 742 CG LYS B 28 -10.328 2.451 -3.292 1.00 0.00 C ATOM 743 CD LYS B 28 -10.809 2.541 -4.741 1.00 0.00 C ATOM 744 CE LYS B 28 -9.729 3.203 -5.598 1.00 0.00 C ATOM 745 NZ LYS B 28 -9.799 4.683 -5.433 1.00 0.00 N ATOM 0 H LYS B 28 -11.367 0.432 0.572 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.288 2.561 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.090 0.519 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.316 1.767 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.276 3.447 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.321 2.035 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.032 1.545 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.733 3.117 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.744 2.840 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.868 2.937 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.967 5.121 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.663 5.042 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.816 4.919 -4.420 1.00 0.00 H new ATOM 759 N PRO B 29 -13.450 1.697 -0.419 1.00 0.00 N ATOM 760 CA PRO B 29 -14.757 2.144 0.094 1.00 0.00 C ATOM 761 C PRO B 29 -14.767 2.119 1.622 1.00 0.00 C ATOM 762 O PRO B 29 -15.501 1.373 2.240 1.00 0.00 O ATOM 763 CB PRO B 29 -15.735 1.118 -0.471 1.00 0.00 C ATOM 764 CG PRO B 29 -14.906 -0.149 -0.787 1.00 0.00 C ATOM 765 CD PRO B 29 -13.439 0.304 -0.912 1.00 0.00 C ATOM 0 HA PRO B 29 -15.004 3.165 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -16.524 0.897 0.248 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -16.221 1.498 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -15.016 -0.891 0.004 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.248 -0.615 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.776 -0.324 -0.318 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.091 0.249 -1.943 1.00 0.00 H new ATOM 773 N THR B 30 -13.955 2.930 2.234 1.00 0.00 N ATOM 774 CA THR B 30 -13.908 2.960 3.723 1.00 0.00 C ATOM 775 C THR B 30 -14.273 4.363 4.216 1.00 0.00 C ATOM 776 O THR B 30 -13.376 5.073 4.638 1.00 0.00 O ATOM 777 CB THR B 30 -12.498 2.604 4.198 1.00 0.00 C ATOM 778 OG1 THR B 30 -11.945 1.619 3.335 1.00 0.00 O ATOM 779 CG2 THR B 30 -12.559 2.057 5.626 1.00 0.00 C ATOM 780 OXT THR B 30 -15.444 4.701 4.163 1.00 0.00 O ATOM 0 H THR B 30 -13.319 3.577 1.768 1.00 0.00 H new ATOM 0 HA THR B 30 -14.619 2.237 4.123 1.00 0.00 H new ATOM 0 HB THR B 30 -11.873 3.497 4.181 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.041 1.390 3.636 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.553 1.804 5.962 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.983 2.813 6.287 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.184 1.164 5.647 1.00 0.00 H new TER 788 THR B 30