USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=13 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: B 46 23F H2 : B 46 23F N : B 45 PHE C :(H bumps) USER MOD NoAdj-H: B 46 23F H : B 46 23F N : B 45 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 77:sc= 0.0861 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.531 X(o=-0.44,f=-0.034) USER MOD Set 2.1: A 5 GLN : amide:sc= -3.47! C(o=-3.5!,f=-5!) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 174:sc= -0.506 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0715 F(o=-0.59,f=-0.072) USER MOD Single : A 21 ASN : amide:sc= -1.13! C(o=-1.1!,f=-1.2!) USER MOD Single : B 24 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.031) USER MOD Single : B 25 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : B 26 HIS : no HE2:sc= 0.976 K(o=0.98,f=-3.6!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 80:sc= -0.409 USER MOD Single : B 48 THR OG1 : rot 104:sc= 0.157! USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.434 20.218 -12.110 1.00 0.00 N ATOM 2 CA GLY A 1 0.942 20.241 -12.778 1.00 0.00 C ATOM 3 C GLY A 1 1.958 19.212 -12.415 1.00 0.00 C ATOM 4 O GLY A 1 2.784 18.831 -13.220 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.012 21.001 -12.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.905 19.314 -12.316 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.322 20.324 -11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.782 20.175 -13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.383 21.218 -12.580 1.00 0.00 H new ATOM 10 N ILE A 2 1.928 18.739 -11.199 1.00 0.00 N ATOM 11 CA ILE A 2 2.917 17.712 -10.772 1.00 0.00 C ATOM 12 C ILE A 2 2.694 16.421 -11.567 1.00 0.00 C ATOM 13 O ILE A 2 3.603 15.656 -11.795 1.00 0.00 O ATOM 14 CB ILE A 2 2.747 17.447 -9.264 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.689 16.307 -8.816 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.283 17.086 -8.954 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.553 16.068 -7.318 1.00 0.00 C ATOM 0 H ILE A 2 1.259 19.021 -10.482 1.00 0.00 H new ATOM 0 HA ILE A 2 3.929 18.069 -10.963 1.00 0.00 H new ATOM 0 HB ILE A 2 3.008 18.351 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.450 15.393 -9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.721 16.562 -9.058 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.172 16.900 -7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.635 17.911 -9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.004 16.190 -9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.222 15.262 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.815 16.979 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.525 15.792 -7.086 1.00 0.00 H new ATOM 29 N VAL A 3 1.489 16.165 -11.981 1.00 0.00 N ATOM 30 CA VAL A 3 1.211 14.917 -12.740 1.00 0.00 C ATOM 31 C VAL A 3 2.010 14.888 -14.052 1.00 0.00 C ATOM 32 O VAL A 3 2.662 13.916 -14.365 1.00 0.00 O ATOM 33 CB VAL A 3 -0.288 14.853 -13.033 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.609 13.591 -13.828 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.050 14.822 -11.706 1.00 0.00 C ATOM 0 H VAL A 3 0.681 16.768 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 3 1.514 14.054 -12.147 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.583 15.726 -13.615 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.679 13.552 -14.033 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.059 13.604 -14.769 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.318 12.713 -13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.121 14.776 -11.903 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.748 13.945 -11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.824 15.723 -11.135 1.00 0.00 H new ATOM 45 N GLU A 4 1.958 15.928 -14.828 1.00 0.00 N ATOM 46 CA GLU A 4 2.706 15.928 -16.123 1.00 0.00 C ATOM 47 C GLU A 4 4.173 15.538 -15.912 1.00 0.00 C ATOM 48 O GLU A 4 4.650 14.566 -16.456 1.00 0.00 O ATOM 49 CB GLU A 4 2.656 17.335 -16.733 1.00 0.00 C ATOM 50 CG GLU A 4 3.615 17.431 -17.936 1.00 0.00 C ATOM 51 CD GLU A 4 3.161 18.550 -18.879 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.311 19.327 -18.478 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.673 18.610 -19.985 1.00 0.00 O ATOM 0 H GLU A 4 1.433 16.779 -14.628 1.00 0.00 H new ATOM 0 HA GLU A 4 2.240 15.201 -16.788 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.639 17.565 -17.051 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.930 18.075 -15.981 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.629 17.626 -17.588 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.638 16.481 -18.470 1.00 0.00 H new ATOM 60 N GLN A 5 4.904 16.311 -15.169 1.00 0.00 N ATOM 61 CA GLN A 5 6.348 16.002 -14.988 1.00 0.00 C ATOM 62 C GLN A 5 6.561 14.640 -14.311 1.00 0.00 C ATOM 63 O GLN A 5 7.477 13.918 -14.644 1.00 0.00 O ATOM 64 CB GLN A 5 7.004 17.093 -14.134 1.00 0.00 C ATOM 65 CG GLN A 5 6.901 18.454 -14.843 1.00 0.00 C ATOM 66 CD GLN A 5 5.536 19.085 -14.563 0.50 0.00 C ATOM 67 OE1 GLN A 5 4.807 19.421 -15.475 0.50 0.00 O ATOM 68 NE2 GLN A 5 5.163 19.262 -13.329 0.50 0.00 N ATOM 0 H GLN A 5 4.569 17.141 -14.680 1.00 0.00 H new ATOM 0 HA GLN A 5 6.804 15.965 -15.977 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.518 17.144 -13.160 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.050 16.846 -13.955 1.00 0.00 H new ATOM 0 HG2 GLN A 5 7.695 19.115 -14.496 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.039 18.326 -15.917 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.777 18.979 -12.565 0.50 0.00 H new ATOM 0 HE22 GLN A 5 4.257 19.684 -13.126 0.50 0.00 H new ATOM 77 N CYS A 6 5.760 14.305 -13.338 1.00 0.00 N ATOM 78 CA CYS A 6 5.948 13.008 -12.606 1.00 0.00 C ATOM 79 C CYS A 6 5.242 11.838 -13.306 1.00 0.00 C ATOM 80 O CYS A 6 5.793 10.763 -13.434 1.00 0.00 O ATOM 81 CB CYS A 6 5.387 13.187 -11.198 1.00 0.00 C ATOM 82 SG CYS A 6 5.830 14.837 -10.623 1.00 0.00 S ATOM 0 H CYS A 6 4.978 14.873 -13.012 1.00 0.00 H new ATOM 0 HA CYS A 6 7.010 12.764 -12.583 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.304 13.063 -11.201 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.792 12.429 -10.528 1.00 0.00 H new ATOM 87 N CYS A 7 4.020 12.012 -13.722 1.00 0.00 N ATOM 88 CA CYS A 7 3.292 10.880 -14.376 1.00 0.00 C ATOM 89 C CYS A 7 3.652 10.783 -15.865 1.00 0.00 C ATOM 90 O CYS A 7 4.042 9.737 -16.343 1.00 0.00 O ATOM 91 CB CYS A 7 1.786 11.093 -14.214 1.00 0.00 C ATOM 92 SG CYS A 7 0.901 9.630 -14.809 1.00 0.00 S ATOM 0 H CYS A 7 3.493 12.881 -13.640 1.00 0.00 H new ATOM 0 HA CYS A 7 3.587 9.946 -13.897 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.545 11.276 -13.167 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.471 11.974 -14.773 1.00 0.00 H new ATOM 97 N THR A 8 3.528 11.852 -16.606 1.00 0.00 N ATOM 98 CA THR A 8 3.871 11.783 -18.059 1.00 0.00 C ATOM 99 C THR A 8 5.387 11.646 -18.205 1.00 0.00 C ATOM 100 O THR A 8 5.888 11.078 -19.155 1.00 0.00 O ATOM 101 CB THR A 8 3.390 13.058 -18.761 1.00 0.00 C ATOM 102 OG1 THR A 8 2.104 13.407 -18.270 1.00 0.00 O ATOM 103 CG2 THR A 8 3.308 12.820 -20.266 1.00 0.00 C ATOM 0 H THR A 8 3.208 12.762 -16.274 1.00 0.00 H new ATOM 0 HA THR A 8 3.382 10.923 -18.516 1.00 0.00 H new ATOM 0 HB THR A 8 4.093 13.867 -18.562 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.835 14.272 -18.643 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.966 13.729 -20.760 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.293 12.550 -20.646 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.606 12.011 -20.469 1.00 0.00 H new ATOM 111 N SER A 9 6.116 12.157 -17.252 1.00 0.00 N ATOM 112 CA SER A 9 7.606 12.069 -17.281 1.00 0.00 C ATOM 113 C SER A 9 8.072 11.685 -15.881 1.00 0.00 C ATOM 114 O SER A 9 7.282 11.618 -14.967 1.00 0.00 O ATOM 115 CB SER A 9 8.191 13.428 -17.656 1.00 0.00 C ATOM 116 OG SER A 9 7.847 13.734 -19.001 1.00 0.00 O ATOM 0 H SER A 9 5.736 12.641 -16.439 1.00 0.00 H new ATOM 0 HA SER A 9 7.933 11.331 -18.013 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.808 14.198 -16.987 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.275 13.415 -17.540 1.00 0.00 H new ATOM 0 HG SER A 9 8.220 14.607 -19.244 1.00 0.00 H new ATOM 122 N ILE A 10 9.335 11.432 -15.685 1.00 0.00 N ATOM 123 CA ILE A 10 9.797 11.062 -14.313 1.00 0.00 C ATOM 124 C ILE A 10 10.102 12.338 -13.528 1.00 0.00 C ATOM 125 O ILE A 10 10.716 13.260 -14.028 1.00 0.00 O ATOM 126 CB ILE A 10 11.048 10.177 -14.391 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.746 8.957 -15.291 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.429 9.707 -12.975 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.748 7.822 -15.029 1.00 0.00 C ATOM 0 H ILE A 10 10.060 11.464 -16.401 1.00 0.00 H new ATOM 0 HA ILE A 10 9.012 10.500 -13.806 1.00 0.00 H new ATOM 0 HB ILE A 10 11.879 10.741 -14.814 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.732 8.603 -15.103 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.791 9.253 -16.339 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.318 9.078 -13.027 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.634 10.574 -12.347 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.605 9.136 -12.547 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.515 6.975 -15.674 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.758 8.172 -15.241 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.683 7.513 -13.986 1.00 0.00 H new ATOM 141 N CYS A 11 9.668 12.395 -12.296 1.00 0.00 N ATOM 142 CA CYS A 11 9.913 13.604 -11.452 1.00 0.00 C ATOM 143 C CYS A 11 11.075 13.338 -10.499 1.00 0.00 C ATOM 144 O CYS A 11 11.730 12.316 -10.549 1.00 0.00 O ATOM 145 CB CYS A 11 8.654 13.905 -10.619 1.00 0.00 C ATOM 146 SG CYS A 11 7.640 15.146 -11.448 1.00 0.00 S ATOM 0 H CYS A 11 9.149 11.649 -11.833 1.00 0.00 H new ATOM 0 HA CYS A 11 10.150 14.450 -12.097 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.078 12.991 -10.475 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.940 14.261 -9.629 1.00 0.00 H new ATOM 151 N SER A 12 11.299 14.260 -9.609 1.00 0.00 N ATOM 152 CA SER A 12 12.375 14.115 -8.600 1.00 0.00 C ATOM 153 C SER A 12 11.823 14.587 -7.257 1.00 0.00 C ATOM 154 O SER A 12 10.897 15.366 -7.186 1.00 0.00 O ATOM 155 CB SER A 12 13.591 14.966 -9.016 1.00 0.00 C ATOM 156 OG SER A 12 13.469 15.310 -10.390 1.00 0.00 O ATOM 0 H SER A 12 10.767 15.128 -9.539 1.00 0.00 H new ATOM 0 HA SER A 12 12.698 13.077 -8.523 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.646 15.868 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.514 14.411 -8.848 1.00 0.00 H new ATOM 0 HG SER A 12 12.820 16.037 -10.489 1.00 0.00 H new ATOM 162 N LEU A 13 12.396 14.124 -6.200 1.00 0.00 N ATOM 163 CA LEU A 13 11.947 14.531 -4.844 1.00 0.00 C ATOM 164 C LEU A 13 11.731 16.036 -4.816 1.00 0.00 C ATOM 165 O LEU A 13 10.655 16.532 -4.561 1.00 0.00 O ATOM 166 CB LEU A 13 13.071 14.177 -3.873 1.00 0.00 C ATOM 167 CG LEU A 13 12.835 14.823 -2.507 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.403 14.547 -2.054 1.00 0.00 C ATOM 169 CD2 LEU A 13 13.805 14.224 -1.498 1.00 0.00 C ATOM 0 H LEU A 13 13.175 13.465 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 13 11.017 14.029 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.134 13.094 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.026 14.512 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 13 12.993 15.899 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.234 15.007 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.705 14.965 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.246 13.471 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.642 14.680 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.640 13.149 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.829 14.413 -1.821 1.00 0.00 H new ATOM 181 N TYR A 14 12.774 16.744 -5.078 1.00 0.00 N ATOM 182 CA TYR A 14 12.724 18.233 -5.086 1.00 0.00 C ATOM 183 C TYR A 14 11.498 18.680 -5.865 1.00 0.00 C ATOM 184 O TYR A 14 10.746 19.531 -5.434 1.00 0.00 O ATOM 185 CB TYR A 14 13.998 18.755 -5.743 1.00 0.00 C ATOM 186 CG TYR A 14 15.137 17.845 -5.351 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.613 17.831 -4.034 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.703 17.007 -6.304 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.663 16.974 -3.681 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.748 16.151 -5.958 1.00 0.00 C ATOM 191 CZ TYR A 14 17.232 16.132 -4.645 1.00 0.00 C ATOM 192 OH TYR A 14 18.266 15.286 -4.300 1.00 0.00 O ATOM 0 H TYR A 14 13.690 16.351 -5.294 1.00 0.00 H new ATOM 0 HA TYR A 14 12.657 18.626 -4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.885 18.778 -6.827 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.200 19.777 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 14 15.171 18.480 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.332 17.019 -7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.034 16.962 -2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.184 15.502 -6.703 1.00 0.00 H new ATOM 0 HH TYR A 14 18.543 14.771 -5.086 1.00 0.00 H new ATOM 202 N GLN A 15 11.275 18.083 -6.994 1.00 0.00 N ATOM 203 CA GLN A 15 10.073 18.449 -7.780 1.00 0.00 C ATOM 204 C GLN A 15 8.858 18.047 -6.959 1.00 0.00 C ATOM 205 O GLN A 15 7.843 18.702 -6.983 1.00 0.00 O ATOM 206 CB GLN A 15 10.072 17.720 -9.125 1.00 0.00 C ATOM 207 CG GLN A 15 11.133 18.329 -10.041 1.00 0.00 C ATOM 208 CD GLN A 15 10.933 17.804 -11.450 1.00 0.00 C ATOM 209 OE1 GLN A 15 11.848 17.296 -12.066 1.00 0.00 O ATOM 210 NE2 GLN A 15 9.759 17.908 -11.985 1.00 0.00 N ATOM 0 H GLN A 15 11.868 17.362 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 15 10.061 19.519 -7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.273 16.659 -8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.089 17.796 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.059 19.416 -10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.130 18.074 -9.683 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.996 18.336 -11.461 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.597 17.562 -12.931 1.00 0.00 H new ATOM 219 N LEU A 16 8.963 16.993 -6.195 1.00 0.00 N ATOM 220 CA LEU A 16 7.799 16.594 -5.354 1.00 0.00 C ATOM 221 C LEU A 16 7.692 17.577 -4.197 1.00 0.00 C ATOM 222 O LEU A 16 6.618 17.898 -3.728 1.00 0.00 O ATOM 223 CB LEU A 16 7.985 15.166 -4.798 1.00 0.00 C ATOM 224 CG LEU A 16 7.113 14.166 -5.562 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.611 14.047 -6.994 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.186 12.800 -4.875 1.00 0.00 C ATOM 0 H LEU A 16 9.789 16.400 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 16 6.893 16.607 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.033 14.875 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.726 15.147 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 16 6.080 14.513 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.990 13.335 -7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.557 15.021 -7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.644 13.700 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.566 12.086 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.219 12.451 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.826 12.888 -3.850 1.00 0.00 H new ATOM 238 N GLU A 17 8.807 18.036 -3.726 1.00 0.00 N ATOM 239 CA GLU A 17 8.799 18.972 -2.593 1.00 0.00 C ATOM 240 C GLU A 17 8.140 20.280 -2.994 1.00 0.00 C ATOM 241 O GLU A 17 7.442 20.914 -2.227 1.00 0.00 O ATOM 242 CB GLU A 17 10.231 19.267 -2.189 1.00 0.00 C ATOM 243 CG GLU A 17 10.939 17.987 -1.710 1.00 0.00 C ATOM 244 CD GLU A 17 12.045 18.339 -0.709 1.00 0.00 C ATOM 245 OE1 GLU A 17 11.799 19.176 0.145 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.117 17.766 -0.813 1.00 0.00 O ATOM 0 H GLU A 17 9.732 17.797 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 17 8.246 18.523 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.772 19.692 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.243 20.013 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.217 17.315 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.364 17.457 -2.562 1.00 0.00 H new ATOM 253 N ASN A 18 8.385 20.684 -4.190 1.00 0.00 N ATOM 254 CA ASN A 18 7.819 21.962 -4.696 1.00 0.00 C ATOM 255 C ASN A 18 6.322 22.022 -4.400 1.00 0.00 C ATOM 256 O ASN A 18 5.760 23.068 -4.143 1.00 0.00 O ATOM 257 CB ASN A 18 8.030 21.999 -6.223 1.00 0.00 C ATOM 258 CG ASN A 18 9.244 22.863 -6.583 1.00 0.00 C ATOM 259 OD1 ASN A 18 10.227 22.334 -7.260 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 9.297 24.029 -6.246 1.00 0.00 N flip ATOM 0 H ASN A 18 8.965 20.179 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 18 8.310 22.807 -4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.174 20.986 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.138 22.396 -6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.529 24.442 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.109 24.595 -6.492 1.00 0.00 H new ATOM 267 N TYR A 19 5.680 20.911 -4.503 1.00 0.00 N ATOM 268 CA TYR A 19 4.207 20.859 -4.308 1.00 0.00 C ATOM 269 C TYR A 19 3.810 20.639 -2.849 1.00 0.00 C ATOM 270 O TYR A 19 2.647 20.501 -2.555 1.00 0.00 O ATOM 271 CB TYR A 19 3.677 19.717 -5.159 1.00 0.00 C ATOM 272 CG TYR A 19 4.269 19.838 -6.545 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.979 20.953 -7.327 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.112 18.846 -7.038 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.532 21.082 -8.606 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.671 18.967 -8.319 1.00 0.00 C ATOM 277 CZ TYR A 19 5.381 20.088 -9.102 1.00 0.00 C ATOM 278 OH TYR A 19 5.929 20.212 -10.363 1.00 0.00 O ATOM 0 H TYR A 19 6.114 20.014 -4.718 1.00 0.00 H new ATOM 0 HA TYR A 19 3.781 21.818 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.944 18.758 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.589 19.754 -5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.324 21.722 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.336 17.980 -6.432 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.303 21.948 -9.209 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.324 18.196 -8.699 1.00 0.00 H new ATOM 0 HH TYR A 19 6.495 19.435 -10.551 1.00 0.00 H new ATOM 288 N CYS A 20 4.721 20.597 -1.920 1.00 0.00 N ATOM 289 CA CYS A 20 4.273 20.391 -0.514 1.00 0.00 C ATOM 290 C CYS A 20 3.686 21.683 0.042 1.00 0.00 C ATOM 291 O CYS A 20 4.283 22.351 0.863 1.00 0.00 O ATOM 292 CB CYS A 20 5.427 19.980 0.361 1.00 0.00 C ATOM 293 SG CYS A 20 6.196 18.502 -0.317 1.00 0.00 S ATOM 0 H CYS A 20 5.726 20.693 -2.063 1.00 0.00 H new ATOM 0 HA CYS A 20 3.519 19.603 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.157 20.787 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.078 19.789 1.376 1.00 0.00 H new ATOM 298 N ASN A 21 2.517 22.029 -0.392 1.00 0.00 N ATOM 299 CA ASN A 21 1.867 23.269 0.111 1.00 0.00 C ATOM 300 C ASN A 21 2.859 24.435 0.029 1.00 0.00 C ATOM 301 O ASN A 21 3.708 24.400 -0.846 1.00 0.00 O ATOM 302 CB ASN A 21 1.435 23.046 1.562 1.00 0.00 C ATOM 303 CG ASN A 21 0.740 24.299 2.099 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.203 24.786 1.506 1.00 0.00 O ATOM 305 ND2 ASN A 21 1.168 24.845 3.204 1.00 0.00 N ATOM 306 OXT ASN A 21 2.754 25.342 0.838 1.00 0.00 O ATOM 0 H ASN A 21 1.975 21.505 -1.079 1.00 0.00 H new ATOM 0 HA ASN A 21 0.993 23.507 -0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.761 22.192 1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.304 22.810 2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.711 25.680 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.959 24.436 3.702 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 15.897 9.214 -3.376 1.00 0.00 N ATOM 315 CA PHE B 22 14.457 9.032 -3.714 1.00 0.00 C ATOM 316 C PHE B 22 14.329 7.960 -4.803 1.00 0.00 C ATOM 317 O PHE B 22 14.903 6.894 -4.701 1.00 0.00 O ATOM 318 CB PHE B 22 13.883 10.371 -4.206 1.00 0.00 C ATOM 319 CG PHE B 22 12.380 10.404 -3.998 1.00 0.00 C ATOM 320 CD1 PHE B 22 11.857 10.444 -2.699 1.00 0.00 C ATOM 321 CD2 PHE B 22 11.512 10.389 -5.100 1.00 0.00 C ATOM 322 CE1 PHE B 22 10.470 10.468 -2.502 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.126 10.415 -4.901 1.00 0.00 C ATOM 324 CZ PHE B 22 9.605 10.454 -3.602 1.00 0.00 C ATOM 0 HA PHE B 22 13.899 8.710 -2.835 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.350 11.195 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.115 10.508 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE B 22 12.523 10.456 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE B 22 11.913 10.357 -6.102 1.00 0.00 H new ATOM 0 HE1 PHE B 22 10.068 10.497 -1.500 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.459 10.405 -5.750 1.00 0.00 H new ATOM 0 HZ PHE B 22 8.536 10.473 -3.449 1.00 0.00 H new ATOM 336 N VAL B 23 13.580 8.224 -5.842 1.00 0.00 N ATOM 337 CA VAL B 23 13.419 7.208 -6.924 1.00 0.00 C ATOM 338 C VAL B 23 13.155 7.903 -8.263 1.00 0.00 C ATOM 339 O VAL B 23 12.838 9.075 -8.320 1.00 0.00 O ATOM 340 CB VAL B 23 12.240 6.304 -6.578 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.028 7.176 -6.285 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.932 5.367 -7.752 1.00 0.00 C ATOM 0 H VAL B 23 13.074 9.097 -5.988 1.00 0.00 H new ATOM 0 HA VAL B 23 14.331 6.618 -7.008 1.00 0.00 H new ATOM 0 HB VAL B 23 12.485 5.699 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.176 6.543 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.248 7.835 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.790 7.775 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.089 4.726 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL B 23 11.683 5.958 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.805 4.750 -7.964 1.00 0.00 H new ATOM 352 N ASN B 24 13.276 7.170 -9.339 1.00 0.00 N ATOM 353 CA ASN B 24 13.030 7.733 -10.702 1.00 0.00 C ATOM 354 C ASN B 24 11.945 6.890 -11.376 1.00 0.00 C ATOM 355 O ASN B 24 12.215 6.123 -12.280 1.00 0.00 O ATOM 356 CB ASN B 24 14.327 7.651 -11.516 1.00 0.00 C ATOM 357 CG ASN B 24 15.254 8.806 -11.128 1.00 0.00 C ATOM 358 OD1 ASN B 24 16.408 8.594 -10.812 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.795 10.027 -11.139 1.00 0.00 N ATOM 0 H ASN B 24 13.540 6.185 -9.331 1.00 0.00 H new ATOM 0 HA ASN B 24 12.710 8.773 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.822 6.697 -11.334 1.00 0.00 H new ATOM 0 HB3 ASN B 24 14.102 7.695 -12.582 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.405 10.803 -10.882 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.826 10.205 -11.404 1.00 0.00 H new ATOM 366 N GLN B 25 10.722 7.011 -10.919 1.00 0.00 N ATOM 367 CA GLN B 25 9.598 6.205 -11.496 1.00 0.00 C ATOM 368 C GLN B 25 8.518 7.134 -12.060 1.00 0.00 C ATOM 369 O GLN B 25 8.522 8.329 -11.840 1.00 0.00 O ATOM 370 CB GLN B 25 8.989 5.350 -10.364 1.00 0.00 C ATOM 371 CG GLN B 25 9.685 3.985 -10.294 1.00 0.00 C ATOM 372 CD GLN B 25 9.010 3.120 -9.228 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.031 3.620 -8.525 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 9.376 1.978 -9.034 1.00 0.00 N flip ATOM 0 H GLN B 25 10.451 7.640 -10.163 1.00 0.00 H new ATOM 0 HA GLN B 25 9.973 5.572 -12.300 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.094 5.868 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.922 5.213 -10.537 1.00 0.00 H new ATOM 0 HG2 GLN B 25 9.635 3.490 -11.264 1.00 0.00 H new ATOM 0 HG3 GLN B 25 10.741 4.115 -10.056 1.00 0.00 H new ATOM 0 HE21 GLN B 25 10.141 1.587 -9.584 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.918 1.410 -8.321 1.00 0.00 H new ATOM 383 N HIS B 26 7.574 6.567 -12.763 1.00 0.00 N ATOM 384 CA HIS B 26 6.454 7.370 -13.329 1.00 0.00 C ATOM 385 C HIS B 26 5.331 7.376 -12.295 1.00 0.00 C ATOM 386 O HIS B 26 4.506 6.485 -12.252 1.00 0.00 O ATOM 387 CB HIS B 26 5.964 6.719 -14.633 1.00 0.00 C ATOM 388 CG HIS B 26 6.799 7.196 -15.791 1.00 0.00 C ATOM 389 ND1 HIS B 26 6.369 8.203 -16.644 1.00 0.00 N ATOM 390 CD2 HIS B 26 8.039 6.820 -16.248 1.00 0.00 C ATOM 391 CE1 HIS B 26 7.333 8.397 -17.562 1.00 0.00 C ATOM 392 NE2 HIS B 26 8.368 7.581 -17.363 1.00 0.00 N ATOM 0 H HIS B 26 7.532 5.569 -12.971 1.00 0.00 H new ATOM 0 HA HIS B 26 6.775 8.388 -13.551 1.00 0.00 H new ATOM 0 HB2 HIS B 26 6.025 5.634 -14.553 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.916 6.968 -14.802 1.00 0.00 H new ATOM 0 HD1 HIS B 26 5.483 8.705 -16.585 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.660 6.053 -15.809 1.00 0.00 H new ATOM 0 HE1 HIS B 26 7.276 9.123 -18.360 1.00 0.00 H new ATOM 400 N LEU B 27 5.314 8.356 -11.441 1.00 0.00 N ATOM 401 CA LEU B 27 4.271 8.406 -10.382 1.00 0.00 C ATOM 402 C LEU B 27 2.989 9.032 -10.926 1.00 0.00 C ATOM 403 O LEU B 27 3.025 9.991 -11.665 1.00 0.00 O ATOM 404 CB LEU B 27 4.764 9.254 -9.210 1.00 0.00 C ATOM 405 CG LEU B 27 6.211 8.901 -8.837 1.00 0.00 C ATOM 406 CD1 LEU B 27 6.772 9.986 -7.916 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.236 7.560 -8.101 1.00 0.00 C ATOM 0 H LEU B 27 5.980 9.129 -11.430 1.00 0.00 H new ATOM 0 HA LEU B 27 4.069 7.387 -10.052 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.701 10.311 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.116 9.099 -8.348 1.00 0.00 H new ATOM 0 HG LEU B 27 6.814 8.833 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.800 9.740 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.751 10.947 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.166 10.045 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.263 7.309 -7.836 1.00 0.00 H new ATOM 0 HD22 LEU B 27 5.635 7.631 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU B 27 5.828 6.783 -8.747 1.00 0.00 H new ATOM 419 N CYS B 28 1.849 8.512 -10.544 1.00 0.00 N ATOM 420 CA CYS B 28 0.564 9.097 -11.030 1.00 0.00 C ATOM 421 C CYS B 28 -0.480 9.057 -9.915 1.00 0.00 C ATOM 422 O CYS B 28 -0.795 8.015 -9.375 1.00 0.00 O ATOM 423 CB CYS B 28 0.061 8.293 -12.229 1.00 0.00 C ATOM 424 SG CYS B 28 1.370 8.187 -13.475 1.00 0.00 S ATOM 0 H CYS B 28 1.754 7.711 -9.919 1.00 0.00 H new ATOM 0 HA CYS B 28 0.730 10.132 -11.327 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.236 7.293 -11.912 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.823 8.768 -12.654 1.00 0.00 H new ATOM 429 N GLY B 29 -1.030 10.195 -9.594 1.00 0.00 N ATOM 430 CA GLY B 29 -2.078 10.275 -8.538 1.00 0.00 C ATOM 431 C GLY B 29 -1.766 9.347 -7.361 1.00 0.00 C ATOM 432 O GLY B 29 -0.901 9.615 -6.560 1.00 0.00 O ATOM 0 H GLY B 29 -0.793 11.088 -10.026 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -2.158 11.302 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -3.046 10.010 -8.964 1.00 0.00 H new ATOM 436 N SER B 30 -2.497 8.271 -7.239 1.00 0.00 N ATOM 437 CA SER B 30 -2.289 7.325 -6.099 1.00 0.00 C ATOM 438 C SER B 30 -0.801 7.167 -5.769 1.00 0.00 C ATOM 439 O SER B 30 -0.372 7.447 -4.668 1.00 0.00 O ATOM 440 CB SER B 30 -2.874 5.960 -6.464 1.00 0.00 C ATOM 441 OG SER B 30 -4.276 6.087 -6.660 1.00 0.00 O ATOM 0 H SER B 30 -3.238 8.003 -7.887 1.00 0.00 H new ATOM 0 HA SER B 30 -2.791 7.731 -5.221 1.00 0.00 H new ATOM 0 HB2 SER B 30 -2.402 5.579 -7.370 1.00 0.00 H new ATOM 0 HB3 SER B 30 -2.670 5.240 -5.671 1.00 0.00 H new ATOM 0 HG SER B 30 -4.654 5.214 -6.896 1.00 0.00 H new ATOM 447 N ASP B 31 -0.012 6.717 -6.701 1.00 0.00 N ATOM 448 CA ASP B 31 1.438 6.541 -6.419 1.00 0.00 C ATOM 449 C ASP B 31 2.080 7.906 -6.158 1.00 0.00 C ATOM 450 O ASP B 31 2.857 8.070 -5.243 1.00 0.00 O ATOM 451 CB ASP B 31 2.109 5.875 -7.623 1.00 0.00 C ATOM 452 CG ASP B 31 1.195 4.778 -8.173 1.00 0.00 C ATOM 453 OD1 ASP B 31 0.196 5.119 -8.785 1.00 0.00 O ATOM 454 OD2 ASP B 31 1.510 3.617 -7.973 1.00 0.00 O ATOM 0 H ASP B 31 -0.307 6.464 -7.644 1.00 0.00 H new ATOM 0 HA ASP B 31 1.566 5.912 -5.538 1.00 0.00 H new ATOM 0 HB2 ASP B 31 2.312 6.616 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.069 5.450 -7.329 1.00 0.00 H new ATOM 459 N LEU B 32 1.758 8.877 -6.965 1.00 0.00 N ATOM 460 CA LEU B 32 2.341 10.242 -6.797 1.00 0.00 C ATOM 461 C LEU B 32 1.854 10.854 -5.499 1.00 0.00 C ATOM 462 O LEU B 32 2.627 11.118 -4.606 1.00 0.00 O ATOM 463 CB LEU B 32 1.893 11.082 -7.991 1.00 0.00 C ATOM 464 CG LEU B 32 2.221 12.567 -7.799 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.732 12.753 -7.507 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.807 13.309 -9.088 1.00 0.00 C ATOM 0 H LEU B 32 1.107 8.784 -7.745 1.00 0.00 H new ATOM 0 HA LEU B 32 3.429 10.199 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.380 10.716 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.819 10.963 -8.136 1.00 0.00 H new ATOM 0 HG LEU B 32 1.677 12.974 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.949 13.813 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU B 32 3.997 12.211 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.314 12.366 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.028 14.371 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.362 12.905 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.739 13.176 -9.257 1.00 0.00 H new ATOM 478 N VAL B 33 0.583 11.073 -5.384 1.00 0.00 N ATOM 479 CA VAL B 33 0.022 11.647 -4.133 1.00 0.00 C ATOM 480 C VAL B 33 0.726 11.009 -2.943 1.00 0.00 C ATOM 481 O VAL B 33 1.339 11.668 -2.128 1.00 0.00 O ATOM 482 CB VAL B 33 -1.464 11.300 -4.058 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.995 11.596 -2.650 1.00 0.00 C ATOM 484 CG2 VAL B 33 -2.227 12.113 -5.100 1.00 0.00 C ATOM 0 H VAL B 33 -0.104 10.877 -6.112 1.00 0.00 H new ATOM 0 HA VAL B 33 0.161 12.728 -4.121 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.605 10.239 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -3.055 11.347 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.448 10.998 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.860 12.654 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.288 11.867 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.091 13.176 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.848 11.877 -6.094 1.00 0.00 H new ATOM 494 N GLU B 34 0.656 9.715 -2.865 1.00 0.00 N ATOM 495 CA GLU B 34 1.339 9.010 -1.754 1.00 0.00 C ATOM 496 C GLU B 34 2.802 9.446 -1.767 1.00 0.00 C ATOM 497 O GLU B 34 3.404 9.686 -0.739 1.00 0.00 O ATOM 498 CB GLU B 34 1.244 7.496 -1.955 1.00 0.00 C ATOM 499 CG GLU B 34 -0.176 7.025 -1.632 1.00 0.00 C ATOM 500 CD GLU B 34 -0.231 5.497 -1.681 1.00 0.00 C ATOM 501 OE1 GLU B 34 0.301 4.935 -2.624 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.803 4.915 -0.774 1.00 0.00 O ATOM 0 H GLU B 34 0.156 9.115 -3.522 1.00 0.00 H new ATOM 0 HA GLU B 34 0.872 9.255 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.499 7.238 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.962 6.987 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.472 7.379 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.882 7.448 -2.347 1.00 0.00 H new ATOM 509 N ALA B 35 3.364 9.590 -2.940 1.00 0.00 N ATOM 510 CA ALA B 35 4.771 10.056 -3.035 1.00 0.00 C ATOM 511 C ALA B 35 4.846 11.428 -2.378 1.00 0.00 C ATOM 512 O ALA B 35 5.812 11.761 -1.740 1.00 0.00 O ATOM 513 CB ALA B 35 5.211 10.152 -4.510 1.00 0.00 C ATOM 0 H ALA B 35 2.906 9.404 -3.832 1.00 0.00 H new ATOM 0 HA ALA B 35 5.436 9.352 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.244 10.495 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.131 9.171 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA B 35 4.569 10.858 -5.036 1.00 0.00 H new ATOM 519 N LEU B 36 3.827 12.234 -2.505 1.00 0.00 N ATOM 520 CA LEU B 36 3.888 13.559 -1.852 1.00 0.00 C ATOM 521 C LEU B 36 3.666 13.378 -0.356 1.00 0.00 C ATOM 522 O LEU B 36 4.500 13.736 0.449 1.00 0.00 O ATOM 523 CB LEU B 36 2.825 14.465 -2.429 1.00 0.00 C ATOM 524 CG LEU B 36 3.231 14.887 -3.852 1.00 0.00 C ATOM 525 CD1 LEU B 36 1.990 15.437 -4.580 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.368 15.950 -3.798 1.00 0.00 C ATOM 0 H LEU B 36 2.972 12.032 -3.024 1.00 0.00 H new ATOM 0 HA LEU B 36 4.863 14.014 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU B 36 1.865 13.950 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.700 15.345 -1.798 1.00 0.00 H new ATOM 0 HG LEU B 36 3.613 14.026 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.265 15.740 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.224 14.663 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.601 16.298 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.645 16.239 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.020 16.827 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.236 15.529 -3.291 1.00 0.00 H new ATOM 538 N TYR B 37 2.557 12.795 0.025 1.00 0.00 N ATOM 539 CA TYR B 37 2.296 12.556 1.473 1.00 0.00 C ATOM 540 C TYR B 37 3.561 11.970 2.098 1.00 0.00 C ATOM 541 O TYR B 37 3.871 12.188 3.251 1.00 0.00 O ATOM 542 CB TYR B 37 1.149 11.563 1.620 1.00 0.00 C ATOM 543 CG TYR B 37 0.893 11.350 3.084 1.00 0.00 C ATOM 544 CD1 TYR B 37 1.672 10.439 3.802 1.00 0.00 C ATOM 545 CD2 TYR B 37 -0.111 12.074 3.723 1.00 0.00 C ATOM 546 CE1 TYR B 37 1.442 10.249 5.168 1.00 0.00 C ATOM 547 CE2 TYR B 37 -0.344 11.889 5.089 1.00 0.00 C ATOM 548 CZ TYR B 37 0.432 10.975 5.814 1.00 0.00 C ATOM 549 OH TYR B 37 0.203 10.791 7.162 1.00 0.00 O ATOM 0 H TYR B 37 1.822 12.475 -0.606 1.00 0.00 H new ATOM 0 HA TYR B 37 2.029 13.489 1.970 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.253 11.943 1.129 1.00 0.00 H new ATOM 0 HB3 TYR B 37 1.400 10.619 1.137 1.00 0.00 H new ATOM 0 HD1 TYR B 37 2.451 9.882 3.302 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.709 12.778 3.163 1.00 0.00 H new ATOM 0 HE1 TYR B 37 2.042 9.544 5.724 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -1.122 12.450 5.585 1.00 0.00 H new ATOM 0 HH TYR B 37 -0.531 11.372 7.451 1.00 0.00 H new ATOM 559 N LEU B 38 4.301 11.245 1.313 1.00 0.00 N ATOM 560 CA LEU B 38 5.567 10.647 1.787 1.00 0.00 C ATOM 561 C LEU B 38 6.610 11.760 1.883 1.00 0.00 C ATOM 562 O LEU B 38 7.335 11.881 2.850 1.00 0.00 O ATOM 563 CB LEU B 38 6.002 9.608 0.745 1.00 0.00 C ATOM 564 CG LEU B 38 7.264 8.845 1.214 1.00 0.00 C ATOM 565 CD1 LEU B 38 7.184 7.382 0.756 1.00 0.00 C ATOM 566 CD2 LEU B 38 8.535 9.477 0.614 1.00 0.00 C ATOM 0 H LEU B 38 4.073 11.039 0.340 1.00 0.00 H new ATOM 0 HA LEU B 38 5.453 10.173 2.762 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.190 8.902 0.570 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.204 10.103 -0.205 1.00 0.00 H new ATOM 0 HG LEU B 38 7.311 8.900 2.302 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.074 6.848 1.088 1.00 0.00 H new ATOM 0 HD12 LEU B 38 6.298 6.914 1.186 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.122 7.344 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.411 8.926 0.956 1.00 0.00 H new ATOM 0 HD22 LEU B 38 8.483 9.437 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.611 10.516 0.935 1.00 0.00 H new ATOM 578 N VAL B 39 6.676 12.569 0.865 1.00 0.00 N ATOM 579 CA VAL B 39 7.650 13.695 0.829 1.00 0.00 C ATOM 580 C VAL B 39 7.149 14.849 1.708 1.00 0.00 C ATOM 581 O VAL B 39 7.803 15.272 2.641 1.00 0.00 O ATOM 582 CB VAL B 39 7.760 14.171 -0.632 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.429 15.540 -0.715 1.00 0.00 C ATOM 584 CG2 VAL B 39 8.567 13.159 -1.443 1.00 0.00 C ATOM 0 H VAL B 39 6.083 12.496 0.038 1.00 0.00 H new ATOM 0 HA VAL B 39 8.620 13.370 1.204 1.00 0.00 H new ATOM 0 HB VAL B 39 6.753 14.255 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.493 15.851 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL B 39 7.841 16.267 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.432 15.481 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL B 39 8.643 13.498 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL B 39 9.566 13.065 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.069 12.190 -1.415 1.00 0.00 H new ATOM 594 N CYS B 40 6.010 15.378 1.375 1.00 0.00 N ATOM 595 CA CYS B 40 5.446 16.534 2.125 1.00 0.00 C ATOM 596 C CYS B 40 5.016 16.141 3.541 1.00 0.00 C ATOM 597 O CYS B 40 5.325 16.815 4.501 1.00 0.00 O ATOM 598 CB CYS B 40 4.224 16.997 1.354 1.00 0.00 C ATOM 599 SG CYS B 40 4.686 17.174 -0.382 1.00 0.00 S ATOM 0 H CYS B 40 5.433 15.053 0.599 1.00 0.00 H new ATOM 0 HA CYS B 40 6.203 17.313 2.218 1.00 0.00 H new ATOM 0 HB2 CYS B 40 3.412 16.277 1.460 1.00 0.00 H new ATOM 0 HB3 CYS B 40 3.862 17.946 1.750 1.00 0.00 H new ATOM 604 N GLY B 41 4.305 15.063 3.680 1.00 0.00 N ATOM 605 CA GLY B 41 3.856 14.642 5.037 1.00 0.00 C ATOM 606 C GLY B 41 2.869 15.659 5.619 1.00 0.00 C ATOM 607 O GLY B 41 1.791 15.863 5.097 1.00 0.00 O ATOM 0 H GLY B 41 4.014 14.453 2.916 1.00 0.00 H new ATOM 0 HA2 GLY B 41 3.385 13.661 4.982 1.00 0.00 H new ATOM 0 HA3 GLY B 41 4.718 14.545 5.697 1.00 0.00 H new ATOM 611 N GLU B 42 3.219 16.274 6.715 1.00 0.00 N ATOM 612 CA GLU B 42 2.294 17.253 7.361 1.00 0.00 C ATOM 613 C GLU B 42 2.086 18.486 6.477 1.00 0.00 C ATOM 614 O GLU B 42 0.990 19.001 6.375 1.00 0.00 O ATOM 615 CB GLU B 42 2.882 17.689 8.707 1.00 0.00 C ATOM 616 CG GLU B 42 2.015 18.796 9.316 1.00 0.00 C ATOM 617 CD GLU B 42 2.360 18.963 10.797 1.00 0.00 C ATOM 618 OE1 GLU B 42 3.509 18.747 11.145 1.00 0.00 O ATOM 619 OE2 GLU B 42 1.469 19.304 11.557 1.00 0.00 O ATOM 0 H GLU B 42 4.109 16.141 7.194 1.00 0.00 H new ATOM 0 HA GLU B 42 1.328 16.769 7.507 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.931 16.838 9.386 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.902 18.047 8.570 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.180 19.734 8.786 1.00 0.00 H new ATOM 0 HG3 GLU B 42 0.960 18.548 9.204 1.00 0.00 H new ATOM 626 N ARG B 43 3.117 18.986 5.860 1.00 0.00 N ATOM 627 CA ARG B 43 2.944 20.203 5.020 1.00 0.00 C ATOM 628 C ARG B 43 1.760 20.028 4.068 1.00 0.00 C ATOM 629 O ARG B 43 1.282 20.983 3.495 1.00 0.00 O ATOM 630 CB ARG B 43 4.214 20.474 4.200 1.00 0.00 C ATOM 631 CG ARG B 43 5.452 20.131 5.018 1.00 0.00 C ATOM 632 CD ARG B 43 6.716 20.653 4.301 1.00 0.00 C ATOM 633 NE ARG B 43 7.459 19.496 3.728 1.00 0.00 N ATOM 634 CZ ARG B 43 8.456 19.698 2.910 1.00 0.00 C ATOM 635 NH1 ARG B 43 8.819 20.916 2.612 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.089 18.683 2.389 1.00 0.00 N ATOM 0 H ARG B 43 4.064 18.610 5.899 1.00 0.00 H new ATOM 0 HA ARG B 43 2.755 21.048 5.682 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.198 19.882 3.285 1.00 0.00 H new ATOM 0 HB3 ARG B 43 4.246 21.522 3.901 1.00 0.00 H new ATOM 0 HG2 ARG B 43 5.377 20.575 6.011 1.00 0.00 H new ATOM 0 HG3 ARG B 43 5.521 19.052 5.155 1.00 0.00 H new ATOM 0 HD2 ARG B 43 6.440 21.352 3.511 1.00 0.00 H new ATOM 0 HD3 ARG B 43 7.349 21.198 5.002 1.00 0.00 H new ATOM 0 HE ARG B 43 7.188 18.544 3.975 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.324 21.710 3.018 1.00 0.00 H new ATOM 0 HH12 ARG B 43 9.598 21.074 1.973 1.00 0.00 H new ATOM 0 HH21 ARG B 43 8.805 17.731 2.621 1.00 0.00 H new ATOM 0 HH22 ARG B 43 9.868 18.841 1.750 1.00 0.00 H new ATOM 650 N GLY B 44 1.291 18.826 3.864 1.00 0.00 N ATOM 651 CA GLY B 44 0.158 18.651 2.909 1.00 0.00 C ATOM 652 C GLY B 44 0.712 18.879 1.505 1.00 0.00 C ATOM 653 O GLY B 44 1.901 19.035 1.337 1.00 0.00 O ATOM 0 H GLY B 44 1.634 17.974 4.307 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -0.268 17.652 2.997 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -0.642 19.359 3.127 1.00 0.00 H new ATOM 657 N PHE B 45 -0.100 18.905 0.484 1.00 0.00 N ATOM 658 CA PHE B 45 0.490 19.119 -0.867 1.00 0.00 C ATOM 659 C PHE B 45 -0.602 19.395 -1.922 1.00 0.00 C ATOM 660 O PHE B 45 -1.779 19.219 -1.653 1.00 0.00 O ATOM 661 CB PHE B 45 1.255 17.859 -1.248 1.00 0.00 C ATOM 662 CG PHE B 45 0.404 16.646 -0.980 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.498 16.202 -1.942 1.00 0.00 C ATOM 664 CD2 PHE B 45 0.533 15.962 0.229 1.00 0.00 C ATOM 665 CE1 PHE B 45 -1.279 15.064 -1.697 1.00 0.00 C ATOM 666 CE2 PHE B 45 -0.242 14.828 0.481 1.00 0.00 C ATOM 667 CZ PHE B 45 -1.147 14.377 -0.480 1.00 0.00 C ATOM 0 H PHE B 45 -1.113 18.792 0.521 1.00 0.00 H new ATOM 0 HA PHE B 45 1.149 19.987 -0.837 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.532 17.895 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.181 17.798 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.596 16.734 -2.877 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.235 16.311 0.972 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.980 14.717 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -0.141 14.301 1.418 1.00 0.00 H new ATOM 0 HZ PHE B 45 -1.746 13.499 -0.288 1.00 0.00 H new HETATM 677 N 23F B 46 -0.220 19.841 -3.215 1.00 0.00 N HETATM 678 CA 23F B 46 -1.175 20.095 -4.224 1.00 0.00 C HETATM 679 C 23F B 46 -1.971 18.949 -4.781 1.00 0.00 C HETATM 680 CB 23F B 46 -1.382 21.383 -4.749 1.00 0.00 C HETATM 681 CG 23F B 46 -0.604 22.631 -4.390 1.00 0.00 C HETATM 682 CD1 23F B 46 0.548 22.678 -3.455 1.00 0.00 C HETATM 683 CD2 23F B 46 -0.984 23.874 -5.085 1.00 0.00 C HETATM 684 CE1 23F B 46 1.268 23.913 -3.259 1.00 0.00 C HETATM 685 CE2 23F B 46 -0.262 25.073 -4.873 1.00 0.00 C HETATM 686 CZ 23F B 46 0.866 25.110 -3.966 1.00 0.00 C HETATM 687 O 23F B 46 -1.531 18.316 -5.721 1.00 0.00 O HETATM 0 HZ 23F B 46 1.413 26.041 -3.816 1.00 0.00 H new HETATM 0 HE2 23F B 46 -0.559 25.980 -5.399 1.00 0.00 H new HETATM 0 HE1 23F B 46 2.117 23.944 -2.576 1.00 0.00 H new HETATM 0 HD2 23F B 46 -1.831 23.870 -5.771 1.00 0.00 H new HETATM 0 HD1 23F B 46 0.850 21.780 -2.917 1.00 0.00 H new HETATM 0 HB 23F B 46 -2.179 21.493 -5.485 1.00 0.00 H new ATOM 695 N TYR B 47 -3.231 18.617 -4.256 1.00 0.00 N ATOM 696 CA TYR B 47 -4.034 17.485 -4.851 1.00 0.00 C ATOM 697 C TYR B 47 -5.451 17.506 -4.262 1.00 0.00 C ATOM 698 O TYR B 47 -6.411 17.705 -4.976 1.00 0.00 O ATOM 699 CB TYR B 47 -3.352 16.118 -4.558 1.00 0.00 C ATOM 700 CG TYR B 47 -3.181 15.336 -5.843 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.302 14.769 -6.448 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.912 15.188 -6.427 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.164 14.049 -7.642 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.774 14.471 -7.621 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.900 13.901 -8.229 1.00 0.00 C ATOM 706 OH TYR B 47 -2.765 13.195 -9.407 1.00 0.00 O ATOM 0 H TYR B 47 -3.675 19.094 -3.471 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.086 17.614 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.381 16.280 -4.090 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.955 15.546 -3.852 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.276 14.885 -5.996 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.045 15.627 -5.956 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.032 13.608 -8.110 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.800 14.357 -8.073 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.022 13.765 -10.161 1.00 0.00 H new ATOM 716 N THR B 48 -5.560 17.283 -2.972 1.00 0.00 N ATOM 717 CA THR B 48 -6.886 17.262 -2.256 1.00 0.00 C ATOM 718 C THR B 48 -7.359 15.813 -2.119 1.00 0.00 C ATOM 719 O THR B 48 -7.894 15.232 -3.042 1.00 0.00 O ATOM 720 CB THR B 48 -7.953 18.094 -2.999 1.00 0.00 C ATOM 721 OG1 THR B 48 -7.357 19.275 -3.515 1.00 0.00 O ATOM 722 CG2 THR B 48 -9.089 18.479 -2.044 1.00 0.00 C ATOM 0 H THR B 48 -4.760 17.109 -2.364 1.00 0.00 H new ATOM 0 HA THR B 48 -6.749 17.709 -1.271 1.00 0.00 H new ATOM 0 HB THR B 48 -8.360 17.496 -3.814 1.00 0.00 H new ATOM 0 HG1 THR B 48 -7.222 19.178 -4.481 1.00 0.00 H new ATOM 0 HG21 THR B 48 -9.834 19.065 -2.582 1.00 0.00 H new ATOM 0 HG22 THR B 48 -9.554 17.576 -1.649 1.00 0.00 H new ATOM 0 HG23 THR B 48 -8.688 19.070 -1.221 1.00 0.00 H new ATOM 730 N LYS B 49 -7.154 15.225 -0.969 1.00 0.00 N ATOM 731 CA LYS B 49 -7.579 13.813 -0.761 1.00 0.00 C ATOM 732 C LYS B 49 -9.119 13.704 -0.702 1.00 0.00 C ATOM 733 O LYS B 49 -9.673 12.792 -1.283 1.00 0.00 O ATOM 734 CB LYS B 49 -6.943 13.246 0.536 1.00 0.00 C ATOM 735 CG LYS B 49 -5.747 14.111 0.953 1.00 0.00 C ATOM 736 CD LYS B 49 -4.938 13.388 2.035 1.00 0.00 C ATOM 737 CE LYS B 49 -5.785 13.235 3.303 1.00 0.00 C ATOM 738 NZ LYS B 49 -4.891 12.964 4.464 1.00 0.00 N ATOM 0 H LYS B 49 -6.709 15.665 -0.164 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.231 13.222 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.684 13.225 1.335 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.620 12.218 0.373 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.115 14.315 0.089 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.095 15.073 1.328 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.626 12.408 1.675 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -4.030 13.949 2.259 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -6.364 14.142 3.479 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -6.499 12.420 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -5.463 12.860 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -4.358 12.087 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -4.227 13.756 4.583 1.00 0.00 H new ATOM 752 N PRO B 50 -9.783 14.610 -0.003 1.00 0.00 N ATOM 753 CA PRO B 50 -11.251 14.556 0.106 1.00 0.00 C ATOM 754 C PRO B 50 -11.892 14.495 -1.286 1.00 0.00 C ATOM 755 O PRO B 50 -12.546 13.534 -1.638 1.00 0.00 O ATOM 756 CB PRO B 50 -11.634 15.843 0.860 1.00 0.00 C ATOM 757 CG PRO B 50 -10.335 16.379 1.499 1.00 0.00 C ATOM 758 CD PRO B 50 -9.165 15.742 0.724 1.00 0.00 C ATOM 0 HA PRO B 50 -11.603 13.668 0.631 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -12.064 16.578 0.179 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -12.385 15.637 1.622 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -10.294 17.466 1.437 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -10.287 16.117 2.556 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -8.708 16.454 0.037 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -8.380 15.401 1.398 1.00 0.00 H new ATOM 766 N THR B 51 -11.706 15.513 -2.075 1.00 0.00 N ATOM 767 CA THR B 51 -12.301 15.517 -3.442 1.00 0.00 C ATOM 768 C THR B 51 -11.662 16.630 -4.275 1.00 0.00 C ATOM 769 O THR B 51 -11.452 17.702 -3.732 1.00 0.00 O ATOM 770 CB THR B 51 -13.809 15.756 -3.342 1.00 0.00 C ATOM 771 OG1 THR B 51 -14.391 15.644 -4.634 1.00 0.00 O ATOM 772 CG2 THR B 51 -14.070 17.155 -2.783 1.00 0.00 C ATOM 773 OXT THR B 51 -11.393 16.391 -5.441 1.00 0.00 O ATOM 0 H THR B 51 -11.167 16.345 -1.834 1.00 0.00 H new ATOM 0 HA THR B 51 -12.117 14.555 -3.920 1.00 0.00 H new ATOM 0 HB THR B 51 -14.252 15.014 -2.678 1.00 0.00 H new ATOM 0 HG1 THR B 51 -15.357 15.795 -4.572 1.00 0.00 H new ATOM 0 HG21 THR B 51 -15.145 17.324 -2.712 1.00 0.00 H new ATOM 0 HG22 THR B 51 -13.623 17.240 -1.792 1.00 0.00 H new ATOM 0 HG23 THR B 51 -13.628 17.900 -3.445 1.00 0.00 H new TER 781 THR B 51