USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 374 hydrogens (5 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 24 DAL H2 : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DAL H : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD Set 1.1: B 3 ASN :FLIP amide:sc= -1.73 F(o=-5.3!,f=-3.2) USER MOD Set 1.2: B 4 GLN : amide:sc= -1.48 K(o=-3.2,f=-6.2!) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.909 K(o=1.4,f=-1.2) USER MOD Set 2.2: A 19 TYR OH : rot 82:sc= 0.529! USER MOD Set 3.1: A 12 SER OG : rot 127:sc= -1.5! USER MOD Set 3.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.5) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.305 X(o=-0.3,f=0) USER MOD Single : B 1 PHE N :NH3+ 137:sc= 0.0217 (180deg=0) USER MOD Single : B 5 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-3.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00852 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.113 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -7:sc= 0.826! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.246 1.510 4.284 1.00 0.00 N ATOM 2 CA GLY A 1 -8.476 2.802 4.559 1.00 0.00 C ATOM 3 C GLY A 1 -7.062 2.924 4.103 1.00 0.00 C ATOM 4 O GLY A 1 -6.272 3.639 4.686 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.210 1.592 4.666 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.293 1.345 3.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.760 0.712 4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.037 3.619 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.487 2.966 5.637 1.00 0.00 H new ATOM 10 N ILE A 2 -6.704 2.233 3.055 1.00 0.00 N ATOM 11 CA ILE A 2 -5.305 2.315 2.552 1.00 0.00 C ATOM 12 C ILE A 2 -5.057 3.705 1.966 1.00 0.00 C ATOM 13 O ILE A 2 -4.188 4.431 2.409 1.00 0.00 O ATOM 14 CB ILE A 2 -5.094 1.261 1.465 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.553 -0.106 1.979 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.611 1.193 1.100 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.349 -1.156 0.885 1.00 0.00 C ATOM 0 H ILE A 2 -7.320 1.616 2.526 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.611 2.136 3.373 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.675 1.532 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.989 -0.380 2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.603 -0.064 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.461 0.441 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.282 2.165 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.031 0.924 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.675 -2.130 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.933 -0.884 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.293 -1.204 0.619 1.00 0.00 H new ATOM 29 N VAL A 3 -5.809 4.077 0.969 1.00 0.00 N ATOM 30 CA VAL A 3 -5.619 5.415 0.344 1.00 0.00 C ATOM 31 C VAL A 3 -5.411 6.473 1.431 1.00 0.00 C ATOM 32 O VAL A 3 -4.716 7.449 1.230 1.00 0.00 O ATOM 33 CB VAL A 3 -6.855 5.769 -0.482 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.835 4.982 -1.792 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.115 5.411 0.307 1.00 0.00 C ATOM 0 H VAL A 3 -6.550 3.509 0.558 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.741 5.389 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.853 6.837 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.716 5.234 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.937 5.236 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.837 3.914 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.997 5.663 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.117 4.343 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.130 5.971 1.242 1.00 0.00 H new ATOM 45 N GLU A 4 -6.012 6.291 2.577 1.00 0.00 N ATOM 46 CA GLU A 4 -5.855 7.288 3.675 1.00 0.00 C ATOM 47 C GLU A 4 -4.399 7.753 3.747 1.00 0.00 C ATOM 48 O GLU A 4 -4.110 8.926 3.624 1.00 0.00 O ATOM 49 CB GLU A 4 -6.253 6.646 5.006 1.00 0.00 C ATOM 50 CG GLU A 4 -7.774 6.501 5.065 1.00 0.00 C ATOM 51 CD GLU A 4 -8.422 7.887 5.023 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.758 8.842 5.393 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.571 7.970 4.623 1.00 0.00 O ATOM 0 H GLU A 4 -6.606 5.493 2.800 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.497 8.147 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.779 5.670 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.902 7.258 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.125 5.898 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.065 5.979 5.977 1.00 0.00 H new ATOM 60 N GLN A 5 -3.478 6.853 3.942 1.00 0.00 N ATOM 61 CA GLN A 5 -2.052 7.273 4.012 1.00 0.00 C ATOM 62 C GLN A 5 -1.342 6.882 2.720 1.00 0.00 C ATOM 63 O GLN A 5 -0.268 7.364 2.419 1.00 0.00 O ATOM 64 CB GLN A 5 -1.363 6.600 5.201 1.00 0.00 C ATOM 65 CG GLN A 5 -2.042 7.040 6.500 1.00 0.00 C ATOM 66 CD GLN A 5 -2.970 5.929 6.992 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.151 6.147 7.180 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.485 4.737 7.211 1.00 0.00 N ATOM 0 H GLN A 5 -3.648 5.854 4.055 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.005 8.354 4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.416 5.516 5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.306 6.867 5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.291 7.263 7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.610 7.956 6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.494 4.553 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.097 3.990 7.539 1.00 0.00 H new ATOM 77 N CYS A 6 -1.934 6.018 1.949 1.00 0.00 N ATOM 78 CA CYS A 6 -1.293 5.607 0.674 1.00 0.00 C ATOM 79 C CYS A 6 -1.789 6.510 -0.453 1.00 0.00 C ATOM 80 O CYS A 6 -1.814 6.124 -1.600 1.00 0.00 O ATOM 81 CB CYS A 6 -1.654 4.153 0.359 1.00 0.00 C ATOM 82 SG CYS A 6 -0.287 3.048 0.809 1.00 0.00 S ATOM 0 H CYS A 6 -2.833 5.579 2.146 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.211 5.696 0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.554 3.869 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.879 4.050 -0.703 1.00 0.00 H new ATOM 87 N CYS A 7 -2.178 7.712 -0.134 1.00 0.00 N ATOM 88 CA CYS A 7 -2.669 8.648 -1.185 1.00 0.00 C ATOM 89 C CYS A 7 -2.913 10.019 -0.555 1.00 0.00 C ATOM 90 O CYS A 7 -2.693 11.045 -1.169 1.00 0.00 O ATOM 91 CB CYS A 7 -3.975 8.118 -1.781 1.00 0.00 C ATOM 92 SG CYS A 7 -4.314 8.975 -3.342 1.00 0.00 S ATOM 0 H CYS A 7 -2.177 8.089 0.814 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.925 8.732 -1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.901 7.044 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.797 8.274 -1.082 1.00 0.00 H new ATOM 97 N THR A 8 -3.358 10.043 0.670 1.00 0.00 N ATOM 98 CA THR A 8 -3.607 11.341 1.350 1.00 0.00 C ATOM 99 C THR A 8 -2.427 11.631 2.289 1.00 0.00 C ATOM 100 O THR A 8 -2.274 12.725 2.796 1.00 0.00 O ATOM 101 CB THR A 8 -4.934 11.252 2.128 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.984 11.757 1.316 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.868 12.066 3.425 1.00 0.00 C ATOM 0 H THR A 8 -3.560 9.215 1.230 1.00 0.00 H new ATOM 0 HA THR A 8 -3.689 12.154 0.628 1.00 0.00 H new ATOM 0 HB THR A 8 -5.116 10.208 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.831 11.701 1.805 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.818 11.985 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.067 11.680 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.672 13.112 3.189 1.00 0.00 H new ATOM 111 N SER A 9 -1.592 10.652 2.517 1.00 0.00 N ATOM 112 CA SER A 9 -0.419 10.852 3.413 1.00 0.00 C ATOM 113 C SER A 9 0.825 10.256 2.750 1.00 0.00 C ATOM 114 O SER A 9 0.940 10.227 1.540 1.00 0.00 O ATOM 115 CB SER A 9 -0.684 10.142 4.736 1.00 0.00 C ATOM 116 OG SER A 9 -0.213 10.949 5.809 1.00 0.00 O ATOM 0 H SER A 9 -1.674 9.717 2.118 1.00 0.00 H new ATOM 0 HA SER A 9 -0.259 11.915 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.751 9.951 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.184 9.174 4.748 1.00 0.00 H new ATOM 0 HG SER A 9 -0.384 10.494 6.660 1.00 0.00 H new ATOM 122 N ILE A 10 1.756 9.773 3.527 1.00 0.00 N ATOM 123 CA ILE A 10 2.984 9.174 2.935 1.00 0.00 C ATOM 124 C ILE A 10 3.006 7.676 3.240 1.00 0.00 C ATOM 125 O ILE A 10 2.990 7.268 4.384 1.00 0.00 O ATOM 126 CB ILE A 10 4.220 9.833 3.549 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.261 11.312 3.156 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.479 9.133 3.036 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.024 11.449 1.651 1.00 0.00 C ATOM 0 H ILE A 10 1.718 9.768 4.546 1.00 0.00 H new ATOM 0 HA ILE A 10 2.986 9.332 1.857 1.00 0.00 H new ATOM 0 HB ILE A 10 4.174 9.748 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.501 11.866 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.226 11.743 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.360 9.602 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.451 8.081 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.525 9.216 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.053 12.502 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.801 10.909 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.049 11.034 1.397 1.00 0.00 H new ATOM 141 N CYS A 11 3.038 6.848 2.231 1.00 0.00 N ATOM 142 CA CYS A 11 3.057 5.379 2.486 1.00 0.00 C ATOM 143 C CYS A 11 4.492 4.857 2.386 1.00 0.00 C ATOM 144 O CYS A 11 5.212 5.163 1.457 1.00 0.00 O ATOM 145 CB CYS A 11 2.178 4.666 1.459 1.00 0.00 C ATOM 146 SG CYS A 11 0.706 4.007 2.283 1.00 0.00 S ATOM 0 H CYS A 11 3.052 7.122 1.249 1.00 0.00 H new ATOM 0 HA CYS A 11 2.672 5.183 3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.887 5.359 0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.735 3.858 0.985 1.00 0.00 H new ATOM 151 N SER A 12 4.914 4.073 3.342 1.00 0.00 N ATOM 152 CA SER A 12 6.301 3.535 3.311 1.00 0.00 C ATOM 153 C SER A 12 6.266 2.020 3.098 1.00 0.00 C ATOM 154 O SER A 12 5.214 1.423 2.972 1.00 0.00 O ATOM 155 CB SER A 12 6.984 3.844 4.640 1.00 0.00 C ATOM 156 OG SER A 12 5.995 4.117 5.623 1.00 0.00 O ATOM 0 H SER A 12 4.355 3.782 4.144 1.00 0.00 H new ATOM 0 HA SER A 12 6.853 3.998 2.493 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.599 3.000 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.650 4.700 4.530 1.00 0.00 H new ATOM 0 HG SER A 12 6.146 3.547 6.406 1.00 0.00 H new ATOM 162 N LEU A 13 7.411 1.395 3.060 1.00 0.00 N ATOM 163 CA LEU A 13 7.453 -0.080 2.854 1.00 0.00 C ATOM 164 C LEU A 13 6.948 -0.791 4.111 1.00 0.00 C ATOM 165 O LEU A 13 6.481 -1.911 4.056 1.00 0.00 O ATOM 166 CB LEU A 13 8.890 -0.512 2.568 1.00 0.00 C ATOM 167 CG LEU A 13 8.890 -1.582 1.477 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.209 -2.848 2.001 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.134 -1.067 0.250 1.00 0.00 C ATOM 0 H LEU A 13 8.321 1.844 3.163 1.00 0.00 H new ATOM 0 HA LEU A 13 6.817 -0.345 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.483 0.346 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.352 -0.902 3.475 1.00 0.00 H new ATOM 0 HG LEU A 13 9.918 -1.811 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.210 -3.610 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.750 -3.218 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.181 -2.618 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.136 -1.832 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.106 -0.834 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.621 -0.167 -0.126 1.00 0.00 H new ATOM 181 N TYR A 14 7.033 -0.154 5.246 1.00 0.00 N ATOM 182 CA TYR A 14 6.552 -0.805 6.495 1.00 0.00 C ATOM 183 C TYR A 14 5.047 -0.574 6.639 1.00 0.00 C ATOM 184 O TYR A 14 4.347 -1.349 7.262 1.00 0.00 O ATOM 185 CB TYR A 14 7.284 -0.213 7.701 1.00 0.00 C ATOM 186 CG TYR A 14 6.909 1.241 7.865 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.656 1.588 8.386 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.819 2.244 7.502 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.311 2.936 8.543 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.474 3.592 7.658 1.00 0.00 C ATOM 191 CZ TYR A 14 6.219 3.939 8.179 1.00 0.00 C ATOM 192 OH TYR A 14 5.880 5.267 8.335 1.00 0.00 O ATOM 0 H TYR A 14 7.413 0.785 5.362 1.00 0.00 H new ATOM 0 HA TYR A 14 6.752 -1.875 6.448 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.026 -0.768 8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.362 -0.307 7.566 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.956 0.815 8.667 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.786 1.977 7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.345 3.203 8.945 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.174 4.365 7.377 1.00 0.00 H new ATOM 0 HH TYR A 14 6.623 5.832 8.035 1.00 0.00 H new ATOM 202 N GLN A 15 4.542 0.483 6.064 1.00 0.00 N ATOM 203 CA GLN A 15 3.081 0.759 6.166 1.00 0.00 C ATOM 204 C GLN A 15 2.312 -0.243 5.312 1.00 0.00 C ATOM 205 O GLN A 15 1.342 -0.825 5.753 1.00 0.00 O ATOM 206 CB GLN A 15 2.790 2.180 5.680 1.00 0.00 C ATOM 207 CG GLN A 15 2.004 2.933 6.756 1.00 0.00 C ATOM 208 CD GLN A 15 0.505 2.736 6.525 1.00 0.00 C ATOM 209 OE1 GLN A 15 -0.046 3.245 5.568 1.00 0.00 O ATOM 210 NE2 GLN A 15 -0.183 2.013 7.365 1.00 0.00 N ATOM 0 H GLN A 15 5.077 1.167 5.529 1.00 0.00 H new ATOM 0 HA GLN A 15 2.767 0.664 7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.723 2.701 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.220 2.149 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.281 2.569 7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.251 3.994 6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.279 1.586 8.168 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.183 1.875 7.219 1.00 0.00 H new ATOM 219 N LEU A 16 2.732 -0.465 4.097 1.00 0.00 N ATOM 220 CA LEU A 16 2.013 -1.438 3.253 1.00 0.00 C ATOM 221 C LEU A 16 2.335 -2.843 3.769 1.00 0.00 C ATOM 222 O LEU A 16 1.626 -3.793 3.506 1.00 0.00 O ATOM 223 CB LEU A 16 2.427 -1.223 1.784 1.00 0.00 C ATOM 224 CG LEU A 16 3.484 -2.233 1.319 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.632 -2.274 2.323 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.851 -3.623 1.189 1.00 0.00 C ATOM 0 H LEU A 16 3.537 -0.015 3.662 1.00 0.00 H new ATOM 0 HA LEU A 16 0.932 -1.305 3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.547 -1.303 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.817 -0.212 1.664 1.00 0.00 H new ATOM 0 HG LEU A 16 3.872 -1.928 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.381 -2.992 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.085 -1.286 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.251 -2.574 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.605 -4.337 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.455 -3.935 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.041 -3.587 0.460 1.00 0.00 H new ATOM 238 N GLU A 17 3.388 -2.969 4.536 1.00 0.00 N ATOM 239 CA GLU A 17 3.736 -4.296 5.104 1.00 0.00 C ATOM 240 C GLU A 17 2.673 -4.625 6.141 1.00 0.00 C ATOM 241 O GLU A 17 2.308 -5.763 6.354 1.00 0.00 O ATOM 242 CB GLU A 17 5.112 -4.228 5.768 1.00 0.00 C ATOM 243 CG GLU A 17 6.165 -4.821 4.831 1.00 0.00 C ATOM 244 CD GLU A 17 7.191 -5.607 5.649 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.915 -6.752 5.967 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.236 -5.052 5.944 1.00 0.00 O ATOM 0 H GLU A 17 4.018 -2.208 4.790 1.00 0.00 H new ATOM 0 HA GLU A 17 3.771 -5.060 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.362 -3.194 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.100 -4.776 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.690 -5.474 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.660 -4.026 4.274 1.00 0.00 H new ATOM 253 N ASN A 18 2.154 -3.604 6.757 1.00 0.00 N ATOM 254 CA ASN A 18 1.077 -3.789 7.760 1.00 0.00 C ATOM 255 C ASN A 18 -0.219 -4.067 7.004 1.00 0.00 C ATOM 256 O ASN A 18 -1.134 -4.688 7.507 1.00 0.00 O ATOM 257 CB ASN A 18 0.936 -2.503 8.577 1.00 0.00 C ATOM 258 CG ASN A 18 1.623 -2.676 9.932 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.801 -2.969 9.996 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.933 -2.506 11.027 1.00 0.00 N ATOM 0 H ASN A 18 2.435 -2.635 6.605 1.00 0.00 H new ATOM 0 HA ASN A 18 1.304 -4.616 8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.381 -1.667 8.037 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.118 -2.265 8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.382 -2.619 11.936 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.055 -2.260 10.974 1.00 0.00 H new ATOM 267 N TYR A 19 -0.285 -3.605 5.786 1.00 0.00 N ATOM 268 CA TYR A 19 -1.497 -3.820 4.953 1.00 0.00 C ATOM 269 C TYR A 19 -1.624 -5.308 4.610 1.00 0.00 C ATOM 270 O TYR A 19 -2.658 -5.764 4.166 1.00 0.00 O ATOM 271 CB TYR A 19 -1.352 -3.008 3.661 1.00 0.00 C ATOM 272 CG TYR A 19 -1.554 -1.532 3.942 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.864 -1.086 5.237 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.426 -0.605 2.898 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.048 0.281 5.483 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.608 0.762 3.147 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.919 1.205 4.438 1.00 0.00 C ATOM 278 OH TYR A 19 -2.098 2.550 4.682 1.00 0.00 O ATOM 0 H TYR A 19 0.461 -3.081 5.328 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.386 -3.501 5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.364 -3.171 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.081 -3.348 2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.961 -1.797 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.187 -0.945 1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.289 0.623 6.479 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.508 1.475 2.342 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.271 2.929 5.046 1.00 0.00 H new ATOM 288 N CYS A 20 -0.579 -6.066 4.807 1.00 0.00 N ATOM 289 CA CYS A 20 -0.643 -7.520 4.487 1.00 0.00 C ATOM 290 C CYS A 20 -0.446 -8.338 5.766 1.00 0.00 C ATOM 291 O CYS A 20 -0.142 -9.514 5.721 1.00 0.00 O ATOM 292 CB CYS A 20 0.460 -7.871 3.487 1.00 0.00 C ATOM 293 SG CYS A 20 0.023 -7.222 1.854 1.00 0.00 S ATOM 0 H CYS A 20 0.315 -5.741 5.175 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.617 -7.751 4.055 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.410 -7.450 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.590 -8.952 3.438 1.00 0.00 H new ATOM 298 N ASN A 21 -0.619 -7.729 6.908 1.00 0.00 N ATOM 299 CA ASN A 21 -0.441 -8.476 8.185 1.00 0.00 C ATOM 300 C ASN A 21 1.052 -8.674 8.456 1.00 0.00 C ATOM 301 O ASN A 21 1.523 -8.171 9.463 1.00 0.00 O ATOM 302 CB ASN A 21 -1.125 -9.842 8.076 1.00 0.00 C ATOM 303 CG ASN A 21 -1.527 -10.327 9.469 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.698 -10.455 9.767 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.598 -10.607 10.343 1.00 0.00 N ATOM 306 OXT ASN A 21 1.698 -9.326 7.652 1.00 0.00 O ATOM 0 H ASN A 21 -0.876 -6.747 7.011 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.887 -7.910 9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.005 -9.769 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.451 -10.561 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.856 -10.933 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.385 -10.500 10.094 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.785 3.834 -2.441 1.00 0.00 N ATOM 315 CA PHE B 1 11.705 3.176 -1.654 1.00 0.00 C ATOM 316 C PHE B 1 10.377 3.890 -1.915 1.00 0.00 C ATOM 317 O PHE B 1 10.245 4.651 -2.852 1.00 0.00 O ATOM 318 CB PHE B 1 12.042 3.250 -0.163 1.00 0.00 C ATOM 319 CG PHE B 1 12.466 1.845 0.330 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.496 1.125 -0.330 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.834 1.246 1.445 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.874 -0.146 0.122 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.223 -0.027 1.883 1.00 0.00 C ATOM 324 CZ PHE B 1 13.240 -0.718 1.225 1.00 0.00 C ATOM 0 H1 PHE B 1 13.634 3.934 -1.849 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.010 3.254 -3.275 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.466 4.775 -2.750 1.00 0.00 H new ATOM 0 HA PHE B 1 11.621 2.132 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.846 3.966 0.006 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.178 3.602 0.401 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.991 1.560 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.046 1.774 1.962 1.00 0.00 H new ATOM 0 HE1 PHE B 1 14.660 -0.685 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.733 -0.475 2.735 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.537 -1.697 1.570 1.00 0.00 H new ATOM 336 N VAL B 2 9.391 3.650 -1.094 1.00 0.00 N ATOM 337 CA VAL B 2 8.074 4.315 -1.298 1.00 0.00 C ATOM 338 C VAL B 2 7.786 5.252 -0.123 1.00 0.00 C ATOM 339 O VAL B 2 8.010 4.915 1.021 1.00 0.00 O ATOM 340 CB VAL B 2 6.979 3.253 -1.388 1.00 0.00 C ATOM 341 CG1 VAL B 2 6.905 2.490 -0.068 1.00 0.00 C ATOM 342 CG2 VAL B 2 5.633 3.928 -1.663 1.00 0.00 C ATOM 0 H VAL B 2 9.441 3.022 -0.291 1.00 0.00 H new ATOM 0 HA VAL B 2 8.096 4.893 -2.222 1.00 0.00 H new ATOM 0 HB VAL B 2 7.209 2.561 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.124 1.732 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.863 2.009 0.129 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.674 3.183 0.741 1.00 0.00 H new ATOM 0 HG21 VAL B 2 4.852 3.170 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL B 2 5.401 4.620 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL B 2 5.686 4.475 -2.604 1.00 0.00 H new ATOM 352 N ASN B 3 7.291 6.429 -0.398 1.00 0.00 N ATOM 353 CA ASN B 3 6.990 7.386 0.702 1.00 0.00 C ATOM 354 C ASN B 3 6.173 8.555 0.150 1.00 0.00 C ATOM 355 O ASN B 3 6.354 9.692 0.540 1.00 0.00 O ATOM 356 CB ASN B 3 8.301 7.912 1.293 1.00 0.00 C ATOM 357 CG ASN B 3 9.358 8.022 0.191 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.002 8.392 -1.009 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 10.523 7.768 0.425 1.00 0.00 N flip ATOM 0 H ASN B 3 7.083 6.768 -1.337 1.00 0.00 H new ATOM 0 HA ASN B 3 6.419 6.879 1.480 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.138 8.887 1.752 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.650 7.243 2.080 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.804 7.479 1.362 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.220 7.844 -0.316 1.00 0.00 H new ATOM 366 N GLN B 4 5.283 8.288 -0.764 1.00 0.00 N ATOM 367 CA GLN B 4 4.465 9.377 -1.351 1.00 0.00 C ATOM 368 C GLN B 4 3.013 8.915 -1.494 1.00 0.00 C ATOM 369 O GLN B 4 2.622 7.887 -0.971 1.00 0.00 O ATOM 370 CB GLN B 4 5.032 9.714 -2.727 1.00 0.00 C ATOM 371 CG GLN B 4 5.882 10.984 -2.641 1.00 0.00 C ATOM 372 CD GLN B 4 7.317 10.666 -3.066 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.835 9.612 -2.753 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.985 11.535 -3.772 1.00 0.00 N ATOM 0 H GLN B 4 5.088 7.356 -1.130 1.00 0.00 H new ATOM 0 HA GLN B 4 4.493 10.255 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.637 8.885 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.220 9.857 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.464 11.759 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.871 11.374 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.551 12.420 -4.035 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.941 11.330 -4.061 1.00 0.00 H new ATOM 383 N HIS B 5 2.214 9.671 -2.201 1.00 0.00 N ATOM 384 CA HIS B 5 0.793 9.294 -2.394 1.00 0.00 C ATOM 385 C HIS B 5 0.675 8.377 -3.616 1.00 0.00 C ATOM 386 O HIS B 5 0.640 8.830 -4.743 1.00 0.00 O ATOM 387 CB HIS B 5 -0.043 10.556 -2.618 1.00 0.00 C ATOM 388 CG HIS B 5 0.446 11.649 -1.708 1.00 0.00 C ATOM 389 ND1 HIS B 5 -0.252 12.007 -0.574 1.00 0.00 N ATOM 390 CD2 HIS B 5 1.554 12.447 -1.776 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.442 12.998 0.006 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.554 13.301 -0.693 1.00 0.00 N ATOM 0 H HIS B 5 2.493 10.541 -2.655 1.00 0.00 H new ATOM 0 HA HIS B 5 0.429 8.772 -1.509 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.030 10.874 -3.658 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.095 10.348 -2.422 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -1.125 11.598 -0.241 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.306 12.414 -2.551 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.146 13.492 0.920 1.00 0.00 H new ATOM 400 N LEU B 6 0.632 7.092 -3.400 1.00 0.00 N ATOM 401 CA LEU B 6 0.537 6.141 -4.552 1.00 0.00 C ATOM 402 C LEU B 6 -0.924 5.742 -4.833 1.00 0.00 C ATOM 403 O LEU B 6 -1.218 5.131 -5.838 1.00 0.00 O ATOM 404 CB LEU B 6 1.367 4.876 -4.269 1.00 0.00 C ATOM 405 CG LEU B 6 1.662 4.736 -2.770 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.357 4.537 -1.996 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.574 3.528 -2.543 1.00 0.00 C ATOM 0 H LEU B 6 0.658 6.656 -2.478 1.00 0.00 H new ATOM 0 HA LEU B 6 0.932 6.649 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.828 3.997 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.303 4.919 -4.825 1.00 0.00 H new ATOM 0 HG LEU B 6 2.154 5.642 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.576 4.439 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.295 5.396 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.141 3.634 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.785 3.426 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.079 2.626 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.508 3.670 -3.086 1.00 0.00 H new ATOM 419 N CYS B 7 -1.842 6.083 -3.971 1.00 0.00 N ATOM 420 CA CYS B 7 -3.269 5.718 -4.211 1.00 0.00 C ATOM 421 C CYS B 7 -3.378 4.265 -4.693 1.00 0.00 C ATOM 422 O CYS B 7 -2.419 3.530 -4.691 1.00 0.00 O ATOM 423 CB CYS B 7 -3.862 6.669 -5.252 1.00 0.00 C ATOM 424 SG CYS B 7 -5.226 7.591 -4.499 1.00 0.00 S ATOM 0 H CYS B 7 -1.666 6.599 -3.109 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.826 5.808 -3.278 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.097 7.356 -5.613 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.219 6.107 -6.115 1.00 0.00 H new ATOM 429 N GLY B 8 -4.553 3.841 -5.073 1.00 0.00 N ATOM 430 CA GLY B 8 -4.745 2.429 -5.525 1.00 0.00 C ATOM 431 C GLY B 8 -3.668 2.008 -6.533 1.00 0.00 C ATOM 432 O GLY B 8 -2.581 1.626 -6.164 1.00 0.00 O ATOM 0 H GLY B 8 -5.396 4.415 -5.090 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.717 1.763 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.730 2.322 -5.978 1.00 0.00 H new ATOM 436 N SER B 9 -4.002 2.047 -7.798 1.00 0.00 N ATOM 437 CA SER B 9 -3.067 1.626 -8.895 1.00 0.00 C ATOM 438 C SER B 9 -1.601 1.558 -8.444 1.00 0.00 C ATOM 439 O SER B 9 -0.930 0.569 -8.660 1.00 0.00 O ATOM 440 CB SER B 9 -3.183 2.616 -10.053 1.00 0.00 C ATOM 441 OG SER B 9 -4.555 2.791 -10.385 1.00 0.00 O ATOM 0 H SER B 9 -4.913 2.363 -8.129 1.00 0.00 H new ATOM 0 HA SER B 9 -3.359 0.620 -9.198 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.739 3.572 -9.775 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.632 2.248 -10.918 1.00 0.00 H new ATOM 0 HG SER B 9 -4.634 3.427 -11.127 1.00 0.00 H new ATOM 447 N ASP B 10 -1.082 2.599 -7.854 1.00 0.00 N ATOM 448 CA ASP B 10 0.354 2.570 -7.441 1.00 0.00 C ATOM 449 C ASP B 10 0.526 1.926 -6.059 1.00 0.00 C ATOM 450 O ASP B 10 1.526 1.293 -5.788 1.00 0.00 O ATOM 451 CB ASP B 10 0.903 3.998 -7.415 1.00 0.00 C ATOM 452 CG ASP B 10 1.717 4.255 -8.685 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.675 3.534 -8.907 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.367 5.168 -9.415 1.00 0.00 O ATOM 0 H ASP B 10 -1.582 3.462 -7.640 1.00 0.00 H new ATOM 0 HA ASP B 10 0.906 1.969 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.083 4.713 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.528 4.143 -6.534 1.00 0.00 H new ATOM 459 N LEU B 11 -0.429 2.071 -5.185 1.00 0.00 N ATOM 460 CA LEU B 11 -0.290 1.453 -3.833 1.00 0.00 C ATOM 461 C LEU B 11 -0.577 -0.045 -3.933 1.00 0.00 C ATOM 462 O LEU B 11 0.061 -0.850 -3.284 1.00 0.00 O ATOM 463 CB LEU B 11 -1.253 2.121 -2.841 1.00 0.00 C ATOM 464 CG LEU B 11 -2.676 1.593 -3.027 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.832 0.269 -2.283 1.00 0.00 C ATOM 466 CD2 LEU B 11 -3.664 2.611 -2.450 1.00 0.00 C ATOM 0 H LEU B 11 -1.295 2.586 -5.344 1.00 0.00 H new ATOM 0 HA LEU B 11 0.727 1.600 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.920 1.931 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.239 3.201 -2.985 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.873 1.439 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.847 -0.106 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.122 -0.457 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.639 0.423 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.682 2.243 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.461 2.754 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.553 3.562 -2.972 1.00 0.00 H new ATOM 478 N VAL B 12 -1.509 -0.432 -4.759 1.00 0.00 N ATOM 479 CA VAL B 12 -1.800 -1.883 -4.911 1.00 0.00 C ATOM 480 C VAL B 12 -0.643 -2.521 -5.684 1.00 0.00 C ATOM 481 O VAL B 12 -0.342 -3.687 -5.523 1.00 0.00 O ATOM 482 CB VAL B 12 -3.119 -2.076 -5.665 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.214 -1.064 -6.805 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.187 -3.494 -6.241 1.00 0.00 C ATOM 0 H VAL B 12 -2.078 0.191 -5.332 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.898 -2.355 -3.934 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.948 -1.926 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.154 -1.205 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.175 -0.053 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.381 -1.211 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.128 -3.625 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.355 -3.648 -6.928 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.127 -4.220 -5.430 1.00 0.00 H new ATOM 494 N GLU B 13 0.026 -1.755 -6.504 1.00 0.00 N ATOM 495 CA GLU B 13 1.180 -2.308 -7.257 1.00 0.00 C ATOM 496 C GLU B 13 2.274 -2.651 -6.248 1.00 0.00 C ATOM 497 O GLU B 13 2.810 -3.743 -6.235 1.00 0.00 O ATOM 498 CB GLU B 13 1.697 -1.262 -8.246 1.00 0.00 C ATOM 499 CG GLU B 13 1.168 -1.575 -9.647 1.00 0.00 C ATOM 500 CD GLU B 13 2.062 -0.904 -10.690 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.154 0.313 -10.668 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.640 -1.617 -11.494 1.00 0.00 O ATOM 0 H GLU B 13 -0.179 -0.772 -6.682 1.00 0.00 H new ATOM 0 HA GLU B 13 0.884 -3.197 -7.814 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.376 -0.267 -7.939 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.787 -1.258 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.149 -2.653 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.143 -1.219 -9.748 1.00 0.00 H new ATOM 509 N ALA B 14 2.584 -1.727 -5.377 1.00 0.00 N ATOM 510 CA ALA B 14 3.615 -1.999 -4.341 1.00 0.00 C ATOM 511 C ALA B 14 3.117 -3.160 -3.485 1.00 0.00 C ATOM 512 O ALA B 14 3.876 -3.997 -3.040 1.00 0.00 O ATOM 513 CB ALA B 14 3.799 -0.755 -3.467 1.00 0.00 C ATOM 0 H ALA B 14 2.166 -0.797 -5.341 1.00 0.00 H new ATOM 0 HA ALA B 14 4.570 -2.248 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.555 -0.953 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.119 0.082 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.854 -0.507 -2.983 1.00 0.00 H new ATOM 519 N LEU B 15 1.830 -3.220 -3.277 1.00 0.00 N ATOM 520 CA LEU B 15 1.240 -4.322 -2.479 1.00 0.00 C ATOM 521 C LEU B 15 1.645 -5.654 -3.109 1.00 0.00 C ATOM 522 O LEU B 15 1.753 -6.664 -2.443 1.00 0.00 O ATOM 523 CB LEU B 15 -0.285 -4.171 -2.522 1.00 0.00 C ATOM 524 CG LEU B 15 -0.809 -3.328 -1.344 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.381 -4.256 -0.276 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.312 -2.479 -0.725 1.00 0.00 C ATOM 0 H LEU B 15 1.157 -2.541 -3.633 1.00 0.00 H new ATOM 0 HA LEU B 15 1.590 -4.290 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.578 -3.704 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.749 -5.157 -2.498 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.582 -2.658 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.753 -3.663 0.560 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.199 -4.838 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.600 -4.930 0.076 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.089 -1.895 0.104 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.104 -3.133 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.718 -1.806 -1.480 1.00 0.00 H new ATOM 538 N TYR B 16 1.878 -5.656 -4.393 1.00 0.00 N ATOM 539 CA TYR B 16 2.286 -6.912 -5.076 1.00 0.00 C ATOM 540 C TYR B 16 3.774 -7.153 -4.824 1.00 0.00 C ATOM 541 O TYR B 16 4.153 -7.973 -4.012 1.00 0.00 O ATOM 542 CB TYR B 16 2.033 -6.777 -6.581 1.00 0.00 C ATOM 543 CG TYR B 16 2.780 -7.859 -7.325 1.00 0.00 C ATOM 544 CD1 TYR B 16 2.613 -9.202 -6.961 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.642 -7.521 -8.377 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.308 -10.206 -7.647 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.336 -8.525 -9.064 1.00 0.00 C ATOM 548 CZ TYR B 16 4.169 -9.868 -8.700 1.00 0.00 C ATOM 549 OH TYR B 16 4.854 -10.858 -9.376 1.00 0.00 O ATOM 0 H TYR B 16 1.803 -4.839 -4.998 1.00 0.00 H new ATOM 0 HA TYR B 16 1.708 -7.751 -4.688 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.965 -6.852 -6.788 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.357 -5.795 -6.927 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.948 -9.463 -6.151 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.771 -6.486 -8.658 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.180 -11.241 -7.365 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.000 -8.264 -9.875 1.00 0.00 H new ATOM 0 HH TYR B 16 5.406 -10.453 -10.077 1.00 0.00 H new ATOM 559 N LEU B 17 4.622 -6.444 -5.516 1.00 0.00 N ATOM 560 CA LEU B 17 6.077 -6.632 -5.319 1.00 0.00 C ATOM 561 C LEU B 17 6.388 -6.700 -3.818 1.00 0.00 C ATOM 562 O LEU B 17 7.359 -7.301 -3.404 1.00 0.00 O ATOM 563 CB LEU B 17 6.824 -5.466 -5.979 1.00 0.00 C ATOM 564 CG LEU B 17 6.942 -4.297 -5.003 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.322 -4.321 -4.342 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.756 -2.978 -5.756 1.00 0.00 C ATOM 0 H LEU B 17 4.365 -5.742 -6.210 1.00 0.00 H new ATOM 0 HA LEU B 17 6.402 -7.565 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.817 -5.790 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.295 -5.148 -6.877 1.00 0.00 H new ATOM 0 HG LEU B 17 6.172 -4.386 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.406 -3.487 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.450 -5.259 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.093 -4.234 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.841 -2.145 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.523 -2.886 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.771 -2.961 -6.223 1.00 0.00 H new ATOM 578 N VAL B 18 5.570 -6.092 -3.002 1.00 0.00 N ATOM 579 CA VAL B 18 5.821 -6.128 -1.535 1.00 0.00 C ATOM 580 C VAL B 18 5.329 -7.461 -0.966 1.00 0.00 C ATOM 581 O VAL B 18 6.105 -8.357 -0.700 1.00 0.00 O ATOM 582 CB VAL B 18 5.071 -4.978 -0.861 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.143 -5.142 0.657 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.712 -3.646 -1.256 1.00 0.00 C ATOM 0 H VAL B 18 4.740 -5.573 -3.288 1.00 0.00 H new ATOM 0 HA VAL B 18 6.890 -6.025 -1.346 1.00 0.00 H new ATOM 0 HB VAL B 18 4.029 -4.990 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.609 -4.322 1.137 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.686 -6.090 0.943 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.185 -5.131 0.975 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.176 -2.828 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.754 -3.635 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.663 -3.525 -2.338 1.00 0.00 H new ATOM 594 N CYS B 19 4.045 -7.598 -0.780 1.00 0.00 N ATOM 595 CA CYS B 19 3.504 -8.874 -0.233 1.00 0.00 C ATOM 596 C CYS B 19 3.640 -9.977 -1.284 1.00 0.00 C ATOM 597 O CYS B 19 4.352 -10.943 -1.095 1.00 0.00 O ATOM 598 CB CYS B 19 2.028 -8.690 0.127 1.00 0.00 C ATOM 599 SG CYS B 19 1.793 -7.066 0.894 1.00 0.00 S ATOM 0 H CYS B 19 3.347 -6.882 -0.983 1.00 0.00 H new ATOM 0 HA CYS B 19 4.063 -9.153 0.660 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.411 -8.775 -0.768 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.708 -9.477 0.810 1.00 0.00 H new ATOM 604 N GLY B 20 2.961 -9.842 -2.390 1.00 0.00 N ATOM 605 CA GLY B 20 3.053 -10.884 -3.453 1.00 0.00 C ATOM 606 C GLY B 20 1.715 -11.617 -3.566 1.00 0.00 C ATOM 607 O GLY B 20 0.736 -11.073 -4.033 1.00 0.00 O ATOM 0 H GLY B 20 2.347 -9.056 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.309 -10.424 -4.407 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.848 -11.591 -3.216 1.00 0.00 H new ATOM 611 N GLU B 21 1.666 -12.850 -3.140 1.00 0.00 N ATOM 612 CA GLU B 21 0.390 -13.615 -3.223 1.00 0.00 C ATOM 613 C GLU B 21 -0.213 -13.755 -1.824 1.00 0.00 C ATOM 614 O GLU B 21 -1.346 -14.161 -1.663 1.00 0.00 O ATOM 615 CB GLU B 21 0.667 -15.005 -3.800 1.00 0.00 C ATOM 616 CG GLU B 21 1.576 -15.783 -2.847 1.00 0.00 C ATOM 617 CD GLU B 21 3.029 -15.659 -3.312 1.00 0.00 C ATOM 618 OE1 GLU B 21 3.681 -14.710 -2.908 1.00 0.00 O ATOM 619 OE2 GLU B 21 3.465 -16.516 -4.063 1.00 0.00 O ATOM 0 H GLU B 21 2.453 -13.360 -2.739 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.310 -13.085 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.270 -15.543 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.139 -14.916 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.473 -15.397 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.280 -16.832 -2.820 1.00 0.00 H new ATOM 626 N ARG B 22 0.537 -13.420 -0.809 1.00 0.00 N ATOM 627 CA ARG B 22 0.008 -13.534 0.579 1.00 0.00 C ATOM 628 C ARG B 22 -0.746 -12.254 0.947 1.00 0.00 C ATOM 629 O ARG B 22 -1.165 -12.072 2.072 1.00 0.00 O ATOM 630 CB ARG B 22 1.171 -13.736 1.552 1.00 0.00 C ATOM 631 CG ARG B 22 2.132 -12.550 1.451 1.00 0.00 C ATOM 632 CD ARG B 22 3.567 -13.063 1.326 1.00 0.00 C ATOM 633 NE ARG B 22 3.969 -13.726 2.599 1.00 0.00 N ATOM 634 CZ ARG B 22 4.567 -13.036 3.532 1.00 0.00 C ATOM 635 NH1 ARG B 22 5.869 -12.941 3.540 1.00 0.00 N ATOM 636 NH2 ARG B 22 3.864 -12.443 4.457 1.00 0.00 N ATOM 0 H ARG B 22 1.493 -13.072 -0.882 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.671 -14.385 0.639 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.795 -13.827 2.571 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.695 -14.663 1.321 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.878 -11.936 0.587 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.037 -11.916 2.332 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.642 -13.767 0.497 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.242 -12.237 1.105 1.00 0.00 H new ATOM 0 HE ARG B 22 3.777 -14.718 2.741 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.419 -13.406 2.817 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.337 -12.402 4.269 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.847 -12.518 4.451 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.331 -11.904 5.186 1.00 0.00 H new ATOM 650 N GLY B 23 -0.919 -11.364 0.008 1.00 0.00 N ATOM 651 CA GLY B 23 -1.645 -10.097 0.307 1.00 0.00 C ATOM 652 C GLY B 23 -3.035 -10.422 0.858 1.00 0.00 C ATOM 653 O GLY B 23 -3.350 -10.119 1.992 1.00 0.00 O ATOM 0 H GLY B 23 -0.589 -11.459 -0.953 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.084 -9.506 1.031 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.732 -9.494 -0.597 1.00 0.00 H new HETATM 657 N DAL B 24 -3.869 -11.034 0.063 1.00 0.00 N HETATM 658 CA DAL B 24 -5.240 -11.377 0.539 1.00 0.00 C HETATM 659 CB DAL B 24 -5.155 -12.490 1.585 1.00 0.00 C HETATM 660 C DAL B 24 -6.083 -11.856 -0.645 1.00 0.00 C HETATM 661 O DAL B 24 -6.358 -13.031 -0.788 1.00 0.00 O HETATM 0 HB3 DAL B 24 -4.694 -13.372 1.141 1.00 0.00 H new HETATM 0 HB2 DAL B 24 -4.553 -12.152 2.428 1.00 0.00 H new HETATM 0 HB1 DAL B 24 -6.157 -12.740 1.932 1.00 0.00 H new HETATM 0 HA DAL B 24 -5.701 -10.495 0.984 1.00 0.00 H new ATOM 667 N PHE B 25 -6.492 -10.956 -1.496 1.00 0.00 N ATOM 668 CA PHE B 25 -7.314 -11.362 -2.669 1.00 0.00 C ATOM 669 C PHE B 25 -6.497 -12.301 -3.560 1.00 0.00 C ATOM 670 O PHE B 25 -7.026 -12.968 -4.426 1.00 0.00 O ATOM 671 CB PHE B 25 -7.714 -10.119 -3.468 1.00 0.00 C ATOM 672 CG PHE B 25 -6.500 -9.163 -3.552 1.00 0.00 C ATOM 673 CD1 PHE B 25 -5.417 -9.445 -4.423 1.00 0.00 C ATOM 674 CD2 PHE B 25 -6.440 -7.993 -2.758 1.00 0.00 C ATOM 675 CE1 PHE B 25 -4.319 -8.576 -4.493 1.00 0.00 C ATOM 676 CE2 PHE B 25 -5.336 -7.136 -2.840 1.00 0.00 C ATOM 677 CZ PHE B 25 -4.281 -7.425 -3.704 1.00 0.00 C ATOM 0 H PHE B 25 -6.292 -9.958 -1.429 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.212 -11.875 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.040 -10.403 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.555 -9.618 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.438 -10.334 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.251 -7.760 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -3.499 -8.798 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.302 -6.245 -2.230 1.00 0.00 H new ATOM 0 HZ PHE B 25 -3.434 -6.758 -3.763 1.00 0.00 H new ATOM 687 N TYR B 26 -5.210 -12.357 -3.350 1.00 0.00 N ATOM 688 CA TYR B 26 -4.357 -13.252 -4.181 1.00 0.00 C ATOM 689 C TYR B 26 -4.492 -12.868 -5.656 1.00 0.00 C ATOM 690 O TYR B 26 -5.554 -12.969 -6.238 1.00 0.00 O ATOM 691 CB TYR B 26 -4.802 -14.703 -3.990 1.00 0.00 C ATOM 692 CG TYR B 26 -3.967 -15.605 -4.867 1.00 0.00 C ATOM 693 CD1 TYR B 26 -2.578 -15.433 -4.927 1.00 0.00 C ATOM 694 CD2 TYR B 26 -4.582 -16.614 -5.621 1.00 0.00 C ATOM 695 CE1 TYR B 26 -1.803 -16.270 -5.740 1.00 0.00 C ATOM 696 CE2 TYR B 26 -3.807 -17.450 -6.434 1.00 0.00 C ATOM 697 CZ TYR B 26 -2.417 -17.279 -6.495 1.00 0.00 C ATOM 698 OH TYR B 26 -1.653 -18.102 -7.297 1.00 0.00 O ATOM 0 H TYR B 26 -4.713 -11.821 -2.639 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.317 -13.146 -3.874 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.694 -14.993 -2.945 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.857 -14.807 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -2.105 -14.655 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.653 -16.746 -5.575 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -0.732 -16.138 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.281 -18.228 -7.015 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.234 -18.748 -7.751 1.00 0.00 H new ATOM 708 N THR B 27 -3.424 -12.430 -6.265 1.00 0.00 N ATOM 709 CA THR B 27 -3.492 -12.042 -7.702 1.00 0.00 C ATOM 710 C THR B 27 -3.324 -13.288 -8.575 1.00 0.00 C ATOM 711 O THR B 27 -3.419 -14.405 -8.104 1.00 0.00 O ATOM 712 CB THR B 27 -2.374 -11.045 -8.015 1.00 0.00 C ATOM 713 OG1 THR B 27 -1.540 -10.898 -6.874 1.00 0.00 O ATOM 714 CG2 THR B 27 -2.982 -9.692 -8.384 1.00 0.00 C ATOM 0 H THR B 27 -2.508 -12.324 -5.830 1.00 0.00 H new ATOM 0 HA THR B 27 -4.458 -11.581 -7.909 1.00 0.00 H new ATOM 0 HB THR B 27 -1.782 -11.414 -8.853 1.00 0.00 H new ATOM 0 HG1 THR B 27 -0.822 -10.261 -7.073 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.184 -8.983 -8.607 1.00 0.00 H new ATOM 0 HG22 THR B 27 -3.620 -9.807 -9.260 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.575 -9.320 -7.549 1.00 0.00 H new ATOM 722 N LYS B 28 -3.073 -13.108 -9.842 1.00 0.00 N ATOM 723 CA LYS B 28 -2.897 -14.283 -10.740 1.00 0.00 C ATOM 724 C LYS B 28 -1.761 -14.006 -11.731 1.00 0.00 C ATOM 725 O LYS B 28 -1.995 -13.523 -12.821 1.00 0.00 O ATOM 726 CB LYS B 28 -4.196 -14.538 -11.510 1.00 0.00 C ATOM 727 CG LYS B 28 -4.686 -13.232 -12.138 1.00 0.00 C ATOM 728 CD LYS B 28 -4.415 -13.253 -13.644 1.00 0.00 C ATOM 729 CE LYS B 28 -5.743 -13.305 -14.403 1.00 0.00 C ATOM 730 NZ LYS B 28 -5.486 -13.150 -15.862 1.00 0.00 N ATOM 0 H LYS B 28 -2.982 -12.198 -10.294 1.00 0.00 H new ATOM 0 HA LYS B 28 -2.651 -15.161 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -4.030 -15.286 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.956 -14.938 -10.839 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.752 -13.105 -11.952 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.179 -12.383 -11.679 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.853 -12.366 -13.935 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.803 -14.117 -13.902 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -6.248 -14.252 -14.210 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.406 -12.513 -14.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.388 -13.185 -16.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -5.022 -12.236 -16.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.869 -13.920 -16.190 1.00 0.00 H new ATOM 744 N PRO B 29 -0.560 -14.322 -11.317 1.00 0.00 N ATOM 745 CA PRO B 29 0.642 -14.120 -12.144 1.00 0.00 C ATOM 746 C PRO B 29 0.758 -15.226 -13.198 1.00 0.00 C ATOM 747 O PRO B 29 1.438 -16.214 -13.004 1.00 0.00 O ATOM 748 CB PRO B 29 1.790 -14.207 -11.134 1.00 0.00 C ATOM 749 CG PRO B 29 1.246 -15.000 -9.921 1.00 0.00 C ATOM 750 CD PRO B 29 -0.290 -14.908 -9.989 1.00 0.00 C ATOM 0 HA PRO B 29 0.633 -13.178 -12.692 1.00 0.00 H new ATOM 0 HB2 PRO B 29 2.654 -14.709 -11.570 1.00 0.00 H new ATOM 0 HB3 PRO B 29 2.118 -13.212 -10.832 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.574 -16.039 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.618 -14.582 -8.986 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.753 -15.890 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.687 -14.282 -9.190 1.00 0.00 H new ATOM 758 N THR B 30 0.099 -15.066 -14.313 1.00 0.00 N ATOM 759 CA THR B 30 0.172 -16.105 -15.378 1.00 0.00 C ATOM 760 C THR B 30 -0.376 -15.536 -16.687 1.00 0.00 C ATOM 761 O THR B 30 -0.851 -14.412 -16.669 1.00 0.00 O ATOM 762 CB THR B 30 -0.659 -17.320 -14.962 1.00 0.00 C ATOM 763 OG1 THR B 30 -0.807 -18.195 -16.071 1.00 0.00 O ATOM 764 CG2 THR B 30 -2.035 -16.855 -14.489 1.00 0.00 C ATOM 765 OXT THR B 30 -0.314 -16.233 -17.687 1.00 0.00 O ATOM 0 H THR B 30 -0.487 -14.260 -14.532 1.00 0.00 H new ATOM 0 HA THR B 30 1.210 -16.406 -15.521 1.00 0.00 H new ATOM 0 HB THR B 30 -0.155 -17.847 -14.151 1.00 0.00 H new ATOM 0 HG1 THR B 30 -0.439 -17.771 -16.874 1.00 0.00 H new ATOM 0 HG21 THR B 30 -2.629 -17.719 -14.192 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.920 -16.184 -13.638 1.00 0.00 H new ATOM 0 HG23 THR B 30 -2.540 -16.329 -15.299 1.00 0.00 H new TER 773 THR B 30