USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 372 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: A 12 SER OG : rot -62:sc= -0.305 USER MOD Set 1.2: A 15 GLN : amide:sc= -2.06! C(o=-2.4!,f=-10!) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= -0.0049 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 63:sc= -0.153 USER MOD Single : A 21 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.4!) USER MOD Single : B 24 ASN :FLIP amide:sc= 0.826 F(o=-0.12,f=0.83) USER MOD Single : B 25 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : B 26 HIS : no HD1:sc= -12.4! C(o=-12!,f=-20!) USER MOD Single : B 30 SER OG : rot 180:sc= -0.0964 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot -130:sc= -8.22! USER MOD Single : B 48 THR OG1 : rot -43:sc= 0.328! USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot 180:sc= -0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.051 8.219 3.978 1.00 0.00 N ATOM 2 CA GLY A 1 -8.073 7.364 3.173 1.00 0.00 C ATOM 3 C GLY A 1 -6.617 7.425 3.486 1.00 0.00 C ATOM 4 O GLY A 1 -6.155 8.318 4.169 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.019 8.058 3.633 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.994 7.958 4.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.807 9.224 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.386 6.325 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.193 7.631 2.123 1.00 0.00 H new ATOM 10 N ILE A 2 -5.856 6.485 2.997 1.00 0.00 N ATOM 11 CA ILE A 2 -4.392 6.494 3.273 1.00 0.00 C ATOM 12 C ILE A 2 -3.671 7.293 2.186 1.00 0.00 C ATOM 13 O ILE A 2 -2.700 7.973 2.439 1.00 0.00 O ATOM 14 CB ILE A 2 -3.859 5.065 3.266 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.739 4.178 4.146 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.436 5.069 3.812 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.091 2.798 4.278 1.00 0.00 C ATOM 0 H ILE A 2 -6.184 5.712 2.419 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.217 6.949 4.248 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.868 4.675 2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.863 4.630 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.734 4.086 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.043 4.052 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.807 5.701 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.438 5.457 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.715 2.161 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.990 2.348 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.106 2.901 4.733 1.00 0.00 H new ATOM 29 N VAL A 3 -4.138 7.193 0.974 1.00 0.00 N ATOM 30 CA VAL A 3 -3.492 7.924 -0.159 1.00 0.00 C ATOM 31 C VAL A 3 -3.051 9.320 0.285 1.00 0.00 C ATOM 32 O VAL A 3 -2.088 9.868 -0.213 1.00 0.00 O ATOM 33 CB VAL A 3 -4.490 8.054 -1.318 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.249 6.739 -1.488 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.493 9.174 -1.019 1.00 0.00 C ATOM 0 H VAL A 3 -4.948 6.631 0.714 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.615 7.363 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.944 8.288 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.958 6.832 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.543 5.937 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.788 6.509 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.198 9.261 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.035 8.942 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.960 10.117 -0.896 1.00 0.00 H new ATOM 45 N GLU A 4 -3.761 9.903 1.203 1.00 0.00 N ATOM 46 CA GLU A 4 -3.405 11.272 1.670 1.00 0.00 C ATOM 47 C GLU A 4 -2.090 11.239 2.454 1.00 0.00 C ATOM 48 O GLU A 4 -1.547 12.266 2.813 1.00 0.00 O ATOM 49 CB GLU A 4 -4.523 11.796 2.570 1.00 0.00 C ATOM 50 CG GLU A 4 -5.875 11.329 2.024 1.00 0.00 C ATOM 51 CD GLU A 4 -6.951 12.355 2.384 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.619 13.322 3.051 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.087 12.158 1.988 1.00 0.00 O ATOM 0 H GLU A 4 -4.578 9.491 1.654 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.282 11.927 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.385 11.434 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.491 12.885 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.820 11.208 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.131 10.355 2.441 1.00 0.00 H new ATOM 60 N GLN A 5 -1.575 10.074 2.730 1.00 0.00 N ATOM 61 CA GLN A 5 -0.301 9.989 3.497 1.00 0.00 C ATOM 62 C GLN A 5 0.854 9.605 2.566 1.00 0.00 C ATOM 63 O GLN A 5 1.972 10.045 2.745 1.00 0.00 O ATOM 64 CB GLN A 5 -0.435 8.934 4.597 1.00 0.00 C ATOM 65 CG GLN A 5 -0.561 9.626 5.956 1.00 0.00 C ATOM 66 CD GLN A 5 0.682 9.332 6.798 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.670 8.450 7.633 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.762 10.041 6.614 1.00 0.00 N ATOM 0 H GLN A 5 -1.980 9.178 2.458 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.093 10.962 3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.309 8.310 4.412 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.434 8.275 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.674 10.701 5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.454 9.275 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.772 10.782 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.596 9.854 7.171 1.00 0.00 H new ATOM 77 N CYS A 6 0.607 8.775 1.588 1.00 0.00 N ATOM 78 CA CYS A 6 1.714 8.364 0.678 1.00 0.00 C ATOM 79 C CYS A 6 1.592 9.059 -0.681 1.00 0.00 C ATOM 80 O CYS A 6 2.479 9.779 -1.083 1.00 0.00 O ATOM 81 CB CYS A 6 1.686 6.847 0.490 1.00 0.00 C ATOM 82 SG CYS A 6 2.178 6.049 2.038 1.00 0.00 S ATOM 0 H CYS A 6 -0.305 8.367 1.381 1.00 0.00 H new ATOM 0 HA CYS A 6 2.661 8.660 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.686 6.522 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.361 6.555 -0.315 1.00 0.00 H new ATOM 87 N CYS A 7 0.518 8.845 -1.400 1.00 0.00 N ATOM 88 CA CYS A 7 0.377 9.496 -2.742 1.00 0.00 C ATOM 89 C CYS A 7 0.897 10.933 -2.682 1.00 0.00 C ATOM 90 O CYS A 7 1.820 11.291 -3.383 1.00 0.00 O ATOM 91 CB CYS A 7 -1.093 9.515 -3.169 1.00 0.00 C ATOM 92 SG CYS A 7 -1.183 9.517 -4.980 1.00 0.00 S ATOM 0 H CYS A 7 -0.263 8.252 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 7 0.958 8.925 -3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.613 8.645 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.590 10.397 -2.767 1.00 0.00 H new ATOM 97 N THR A 8 0.317 11.760 -1.853 1.00 0.00 N ATOM 98 CA THR A 8 0.790 13.172 -1.758 1.00 0.00 C ATOM 99 C THR A 8 2.320 13.193 -1.765 1.00 0.00 C ATOM 100 O THR A 8 2.940 14.135 -2.218 1.00 0.00 O ATOM 101 CB THR A 8 0.279 13.798 -0.459 1.00 0.00 C ATOM 102 OG1 THR A 8 0.924 15.047 -0.252 1.00 0.00 O ATOM 103 CG2 THR A 8 0.582 12.864 0.713 1.00 0.00 C ATOM 0 H THR A 8 -0.461 11.520 -1.239 1.00 0.00 H new ATOM 0 HA THR A 8 0.411 13.741 -2.607 1.00 0.00 H new ATOM 0 HB THR A 8 -0.798 13.952 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.597 15.450 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.218 13.311 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.086 11.906 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.658 12.708 0.785 1.00 0.00 H new ATOM 111 N SER A 9 2.930 12.151 -1.270 1.00 0.00 N ATOM 112 CA SER A 9 4.418 12.089 -1.248 1.00 0.00 C ATOM 113 C SER A 9 4.862 10.650 -1.542 1.00 0.00 C ATOM 114 O SER A 9 4.327 9.996 -2.413 1.00 0.00 O ATOM 115 CB SER A 9 4.924 12.523 0.128 1.00 0.00 C ATOM 116 OG SER A 9 4.368 13.790 0.454 1.00 0.00 O ATOM 0 H SER A 9 2.459 11.336 -0.878 1.00 0.00 H new ATOM 0 HA SER A 9 4.831 12.757 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.644 11.786 0.880 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.013 12.580 0.127 1.00 0.00 H new ATOM 0 HG SER A 9 4.689 14.071 1.336 1.00 0.00 H new ATOM 122 N ILE A 10 5.830 10.143 -0.832 1.00 0.00 N ATOM 123 CA ILE A 10 6.278 8.749 -1.099 1.00 0.00 C ATOM 124 C ILE A 10 6.732 8.101 0.217 1.00 0.00 C ATOM 125 O ILE A 10 7.709 8.502 0.815 1.00 0.00 O ATOM 126 CB ILE A 10 7.421 8.783 -2.128 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.827 8.708 -3.538 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.365 7.600 -1.924 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.533 9.713 -4.450 1.00 0.00 C ATOM 0 H ILE A 10 6.327 10.628 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 10 5.460 8.154 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 10 7.982 9.709 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.939 7.700 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.759 8.921 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.166 7.643 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.792 7.644 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.812 6.668 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.108 9.656 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.398 10.720 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.597 9.480 -4.494 1.00 0.00 H new ATOM 141 N CYS A 11 6.017 7.104 0.670 1.00 0.00 N ATOM 142 CA CYS A 11 6.390 6.430 1.948 1.00 0.00 C ATOM 143 C CYS A 11 7.380 5.297 1.675 1.00 0.00 C ATOM 144 O CYS A 11 7.932 5.179 0.600 1.00 0.00 O ATOM 145 CB CYS A 11 5.137 5.840 2.600 1.00 0.00 C ATOM 146 SG CYS A 11 3.818 7.072 2.633 1.00 0.00 S ATOM 0 H CYS A 11 5.189 6.727 0.208 1.00 0.00 H new ATOM 0 HA CYS A 11 6.848 7.164 2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.810 4.960 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.365 5.512 3.614 1.00 0.00 H new ATOM 151 N SER A 12 7.599 4.458 2.651 1.00 0.00 N ATOM 152 CA SER A 12 8.543 3.320 2.470 1.00 0.00 C ATOM 153 C SER A 12 7.765 2.005 2.559 1.00 0.00 C ATOM 154 O SER A 12 6.681 1.952 3.105 1.00 0.00 O ATOM 155 CB SER A 12 9.603 3.358 3.571 1.00 0.00 C ATOM 156 OG SER A 12 9.038 2.877 4.782 1.00 0.00 O ATOM 0 H SER A 12 7.162 4.513 3.571 1.00 0.00 H new ATOM 0 HA SER A 12 9.028 3.396 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.460 2.747 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.968 4.376 3.706 1.00 0.00 H new ATOM 0 HG SER A 12 8.302 3.463 5.055 1.00 0.00 H new ATOM 162 N LEU A 13 8.304 0.940 2.031 1.00 0.00 N ATOM 163 CA LEU A 13 7.581 -0.361 2.094 1.00 0.00 C ATOM 164 C LEU A 13 7.151 -0.629 3.537 1.00 0.00 C ATOM 165 O LEU A 13 6.213 -1.358 3.789 1.00 0.00 O ATOM 166 CB LEU A 13 8.498 -1.487 1.614 1.00 0.00 C ATOM 167 CG LEU A 13 7.703 -2.442 0.718 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.751 -1.944 -0.727 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.317 -3.842 0.791 1.00 0.00 C ATOM 0 H LEU A 13 9.209 0.914 1.561 1.00 0.00 H new ATOM 0 HA LEU A 13 6.702 -0.319 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.343 -1.073 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.907 -2.027 2.468 1.00 0.00 H new ATOM 0 HG LEU A 13 6.668 -2.479 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.185 -2.623 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.315 -0.946 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.787 -1.907 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.751 -4.521 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.352 -3.803 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.286 -4.200 1.820 1.00 0.00 H new ATOM 181 N TYR A 14 7.823 -0.037 4.487 1.00 0.00 N ATOM 182 CA TYR A 14 7.439 -0.254 5.909 1.00 0.00 C ATOM 183 C TYR A 14 6.049 0.338 6.140 1.00 0.00 C ATOM 184 O TYR A 14 5.177 -0.300 6.693 1.00 0.00 O ATOM 185 CB TYR A 14 8.449 0.433 6.831 1.00 0.00 C ATOM 186 CG TYR A 14 8.057 0.153 8.302 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.080 0.946 8.955 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.657 -0.907 9.023 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.726 0.681 10.285 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.292 -1.158 10.352 1.00 0.00 C ATOM 191 CZ TYR A 14 7.331 -0.366 10.980 1.00 0.00 C ATOM 192 OH TYR A 14 6.978 -0.620 12.290 1.00 0.00 O ATOM 0 H TYR A 14 8.618 0.585 4.340 1.00 0.00 H new ATOM 0 HA TYR A 14 7.430 -1.322 6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.454 0.062 6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.462 1.506 6.642 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.606 1.759 8.425 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.401 -1.527 8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.981 1.291 10.774 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.757 -1.969 10.893 1.00 0.00 H new ATOM 0 HH TYR A 14 7.493 -1.384 12.625 1.00 0.00 H new ATOM 202 N GLN A 15 5.830 1.549 5.707 1.00 0.00 N ATOM 203 CA GLN A 15 4.487 2.164 5.893 1.00 0.00 C ATOM 204 C GLN A 15 3.446 1.272 5.221 1.00 0.00 C ATOM 205 O GLN A 15 2.365 1.068 5.734 1.00 0.00 O ATOM 206 CB GLN A 15 4.463 3.557 5.257 1.00 0.00 C ATOM 207 CG GLN A 15 4.657 4.620 6.342 1.00 0.00 C ATOM 208 CD GLN A 15 5.818 5.537 5.954 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.695 5.144 5.210 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.862 6.751 6.430 1.00 0.00 N ATOM 0 H GLN A 15 6.518 2.136 5.235 1.00 0.00 H new ATOM 0 HA GLN A 15 4.265 2.259 6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.250 3.639 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.515 3.717 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.744 5.203 6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.860 4.144 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.126 7.081 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.632 7.370 6.178 1.00 0.00 H new ATOM 219 N LEU A 16 3.771 0.726 4.082 1.00 0.00 N ATOM 220 CA LEU A 16 2.806 -0.168 3.386 1.00 0.00 C ATOM 221 C LEU A 16 2.584 -1.411 4.240 1.00 0.00 C ATOM 222 O LEU A 16 1.493 -1.940 4.313 1.00 0.00 O ATOM 223 CB LEU A 16 3.371 -0.573 2.023 1.00 0.00 C ATOM 224 CG LEU A 16 3.173 0.570 1.025 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.306 1.588 1.178 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.185 0.007 -0.398 1.00 0.00 C ATOM 0 H LEU A 16 4.662 0.860 3.604 1.00 0.00 H new ATOM 0 HA LEU A 16 1.860 0.352 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.431 -0.811 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.872 -1.473 1.664 1.00 0.00 H new ATOM 0 HG LEU A 16 2.218 1.059 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.163 2.401 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.301 1.988 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.262 1.101 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.044 0.819 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.141 -0.481 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.379 -0.718 -0.509 1.00 0.00 H new ATOM 238 N GLU A 17 3.605 -1.874 4.906 1.00 0.00 N ATOM 239 CA GLU A 17 3.439 -3.064 5.768 1.00 0.00 C ATOM 240 C GLU A 17 2.319 -2.776 6.765 1.00 0.00 C ATOM 241 O GLU A 17 1.637 -3.667 7.231 1.00 0.00 O ATOM 242 CB GLU A 17 4.747 -3.326 6.514 1.00 0.00 C ATOM 243 CG GLU A 17 5.639 -4.243 5.676 1.00 0.00 C ATOM 244 CD GLU A 17 5.657 -5.643 6.293 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.652 -6.028 6.866 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.676 -6.305 6.182 1.00 0.00 O ATOM 0 H GLU A 17 4.544 -1.476 4.887 1.00 0.00 H new ATOM 0 HA GLU A 17 3.189 -3.942 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.260 -2.385 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.541 -3.786 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.269 -4.290 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.651 -3.841 5.631 1.00 0.00 H new ATOM 253 N ASN A 18 2.119 -1.524 7.085 1.00 0.00 N ATOM 254 CA ASN A 18 1.038 -1.163 8.041 1.00 0.00 C ATOM 255 C ASN A 18 -0.316 -1.271 7.338 1.00 0.00 C ATOM 256 O ASN A 18 -1.349 -1.336 7.974 1.00 0.00 O ATOM 257 CB ASN A 18 1.247 0.272 8.533 1.00 0.00 C ATOM 258 CG ASN A 18 0.397 0.510 9.782 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.642 1.137 9.715 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.798 0.033 10.929 1.00 0.00 N ATOM 0 H ASN A 18 2.659 -0.738 6.724 1.00 0.00 H new ATOM 0 HA ASN A 18 1.062 -1.843 8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.300 0.441 8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.971 0.980 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.239 0.187 11.769 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.670 -0.493 10.986 1.00 0.00 H new ATOM 267 N TYR A 19 -0.325 -1.299 6.030 1.00 0.00 N ATOM 268 CA TYR A 19 -1.621 -1.414 5.306 1.00 0.00 C ATOM 269 C TYR A 19 -2.145 -2.842 5.474 1.00 0.00 C ATOM 270 O TYR A 19 -3.335 -3.086 5.469 1.00 0.00 O ATOM 271 CB TYR A 19 -1.423 -1.138 3.809 1.00 0.00 C ATOM 272 CG TYR A 19 -1.033 0.357 3.564 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.062 1.025 4.372 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.624 1.090 2.504 1.00 0.00 C ATOM 275 CE1 TYR A 19 0.286 2.355 4.109 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.264 2.419 2.263 1.00 0.00 C ATOM 277 CZ TYR A 19 -0.312 3.048 3.060 1.00 0.00 C ATOM 278 OH TYR A 19 0.040 4.359 2.810 1.00 0.00 O ATOM 0 H TYR A 19 0.504 -1.247 5.438 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.326 -0.689 5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.644 -1.791 3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.339 -1.372 3.268 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.407 0.500 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.362 0.615 1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.024 2.847 4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.728 2.962 1.453 1.00 0.00 H new ATOM 0 HH TYR A 19 0.989 4.403 2.569 1.00 0.00 H new ATOM 288 N CYS A 20 -1.255 -3.789 5.616 1.00 0.00 N ATOM 289 CA CYS A 20 -1.685 -5.208 5.778 1.00 0.00 C ATOM 290 C CYS A 20 -1.973 -5.492 7.253 1.00 0.00 C ATOM 291 O CYS A 20 -1.464 -6.437 7.824 1.00 0.00 O ATOM 292 CB CYS A 20 -0.568 -6.136 5.289 1.00 0.00 C ATOM 293 SG CYS A 20 -0.071 -5.658 3.613 1.00 0.00 S ATOM 0 H CYS A 20 -0.246 -3.640 5.627 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.588 -5.382 5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.287 -6.079 5.963 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.911 -7.170 5.296 1.00 0.00 H new ATOM 298 N ASN A 21 -2.787 -4.683 7.875 1.00 0.00 N ATOM 299 CA ASN A 21 -3.110 -4.908 9.313 1.00 0.00 C ATOM 300 C ASN A 21 -3.791 -6.269 9.477 1.00 0.00 C ATOM 301 O ASN A 21 -4.651 -6.579 8.670 1.00 0.00 O ATOM 302 CB ASN A 21 -4.050 -3.807 9.807 1.00 0.00 C ATOM 303 CG ASN A 21 -3.313 -2.919 10.811 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.105 -2.796 10.758 1.00 0.00 O ATOM 305 ND2 ASN A 21 -3.992 -2.294 11.733 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.441 -6.976 10.408 1.00 0.00 O ATOM 0 H ASN A 21 -3.242 -3.876 7.449 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.190 -4.888 9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.401 -3.209 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.931 -4.248 10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.509 -1.702 12.409 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.006 -2.397 11.778 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 13.089 -2.419 -2.570 1.00 0.00 N ATOM 315 CA PHE B 22 12.427 -1.841 -3.774 1.00 0.00 C ATOM 316 C PHE B 22 11.372 -0.821 -3.340 1.00 0.00 C ATOM 317 O PHE B 22 10.294 -1.174 -2.905 1.00 0.00 O ATOM 318 CB PHE B 22 11.752 -2.958 -4.575 1.00 0.00 C ATOM 319 CG PHE B 22 10.899 -3.797 -3.654 1.00 0.00 C ATOM 320 CD1 PHE B 22 11.496 -4.752 -2.820 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.508 -3.621 -3.632 1.00 0.00 C ATOM 322 CE1 PHE B 22 10.704 -5.530 -1.965 1.00 0.00 C ATOM 323 CE2 PHE B 22 8.716 -4.399 -2.778 1.00 0.00 C ATOM 324 CZ PHE B 22 9.314 -5.354 -1.944 1.00 0.00 C ATOM 0 HA PHE B 22 13.176 -1.349 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE B 22 11.138 -2.531 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE B 22 12.506 -3.581 -5.057 1.00 0.00 H new ATOM 0 HD1 PHE B 22 12.567 -4.888 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE B 22 9.047 -2.885 -4.274 1.00 0.00 H new ATOM 0 HE1 PHE B 22 11.165 -6.265 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE B 22 7.645 -4.263 -2.762 1.00 0.00 H new ATOM 0 HZ PHE B 22 8.704 -5.954 -1.285 1.00 0.00 H new ATOM 336 N VAL B 23 11.674 0.444 -3.454 1.00 0.00 N ATOM 337 CA VAL B 23 10.689 1.485 -3.048 1.00 0.00 C ATOM 338 C VAL B 23 10.872 2.726 -3.921 1.00 0.00 C ATOM 339 O VAL B 23 11.432 2.669 -4.997 1.00 0.00 O ATOM 340 CB VAL B 23 10.896 1.835 -1.564 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.920 2.966 -1.411 1.00 0.00 C ATOM 342 CG2 VAL B 23 9.559 2.265 -0.952 1.00 0.00 C ATOM 0 H VAL B 23 12.560 0.801 -3.811 1.00 0.00 H new ATOM 0 HA VAL B 23 9.675 1.108 -3.182 1.00 0.00 H new ATOM 0 HB VAL B 23 11.274 0.954 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL B 23 12.051 3.198 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL B 23 12.874 2.653 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.564 3.853 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL B 23 9.703 2.513 0.099 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.180 3.139 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.841 1.449 -1.037 1.00 0.00 H new ATOM 352 N ASN B 24 10.396 3.840 -3.456 1.00 0.00 N ATOM 353 CA ASN B 24 10.527 5.102 -4.240 1.00 0.00 C ATOM 354 C ASN B 24 9.485 5.114 -5.358 1.00 0.00 C ATOM 355 O ASN B 24 9.808 5.217 -6.524 1.00 0.00 O ATOM 356 CB ASN B 24 11.930 5.188 -4.846 1.00 0.00 C ATOM 357 CG ASN B 24 12.221 6.633 -5.259 1.00 0.00 C ATOM 358 OD1 ASN B 24 13.035 7.353 -4.536 1.00 0.00 O flip ATOM 359 ND2 ASN B 24 11.705 7.110 -6.249 1.00 0.00 N flip ATOM 0 H ASN B 24 9.917 3.936 -2.560 1.00 0.00 H new ATOM 0 HA ASN B 24 10.366 5.956 -3.583 1.00 0.00 H new ATOM 0 HB2 ASN B 24 12.671 4.849 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN B 24 12.005 4.529 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN B 24 11.069 6.547 -6.814 1.00 0.00 H new ATOM 0 HD22 ASN B 24 11.908 8.073 -6.516 1.00 0.00 H new ATOM 366 N GLN B 25 8.233 5.009 -5.008 1.00 0.00 N ATOM 367 CA GLN B 25 7.166 5.015 -6.045 1.00 0.00 C ATOM 368 C GLN B 25 5.994 5.863 -5.558 1.00 0.00 C ATOM 369 O GLN B 25 5.657 5.862 -4.391 1.00 0.00 O ATOM 370 CB GLN B 25 6.681 3.586 -6.295 1.00 0.00 C ATOM 371 CG GLN B 25 7.085 3.146 -7.704 1.00 0.00 C ATOM 372 CD GLN B 25 6.888 1.635 -7.843 1.00 0.00 C ATOM 373 OE1 GLN B 25 6.038 1.025 -7.062 1.00 0.00 O flip ATOM 374 NE2 GLN B 25 7.514 1.002 -8.670 1.00 0.00 N flip ATOM 0 H GLN B 25 7.903 4.919 -4.047 1.00 0.00 H new ATOM 0 HA GLN B 25 7.565 5.430 -6.970 1.00 0.00 H new ATOM 0 HB2 GLN B 25 7.111 2.911 -5.555 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.598 3.534 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.485 3.672 -8.447 1.00 0.00 H new ATOM 0 HG3 GLN B 25 8.126 3.407 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.178 1.478 -9.281 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.375 -0.005 -8.754 1.00 0.00 H new ATOM 383 N HIS B 26 5.366 6.586 -6.442 1.00 0.00 N ATOM 384 CA HIS B 26 4.215 7.428 -6.023 1.00 0.00 C ATOM 385 C HIS B 26 2.952 6.577 -6.182 1.00 0.00 C ATOM 386 O HIS B 26 2.867 5.770 -7.087 1.00 0.00 O ATOM 387 CB HIS B 26 4.136 8.651 -6.937 1.00 0.00 C ATOM 388 CG HIS B 26 3.937 9.884 -6.107 1.00 0.00 C ATOM 389 ND1 HIS B 26 4.793 10.176 -5.069 1.00 0.00 N ATOM 390 CD2 HIS B 26 3.023 10.898 -6.184 1.00 0.00 C ATOM 391 CE1 HIS B 26 4.389 11.339 -4.551 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.308 11.823 -5.201 1.00 0.00 N ATOM 0 H HIS B 26 5.600 6.630 -7.434 1.00 0.00 H new ATOM 0 HA HIS B 26 4.322 7.766 -4.992 1.00 0.00 H new ATOM 0 HB2 HIS B 26 5.050 8.739 -7.524 1.00 0.00 H new ATOM 0 HB3 HIS B 26 3.313 8.538 -7.643 1.00 0.00 H new ATOM 0 HD2 HIS B 26 2.213 10.964 -6.896 1.00 0.00 H new ATOM 0 HE1 HIS B 26 4.867 11.831 -3.717 1.00 0.00 H new ATOM 0 HE2 HIS B 26 2.808 12.690 -5.006 1.00 0.00 H new ATOM 400 N LEU B 27 1.979 6.707 -5.320 1.00 0.00 N ATOM 401 CA LEU B 27 0.774 5.841 -5.483 1.00 0.00 C ATOM 402 C LEU B 27 -0.481 6.478 -4.877 1.00 0.00 C ATOM 403 O LEU B 27 -0.438 7.144 -3.865 1.00 0.00 O ATOM 404 CB LEU B 27 1.033 4.498 -4.792 1.00 0.00 C ATOM 405 CG LEU B 27 1.893 4.712 -3.543 1.00 0.00 C ATOM 406 CD1 LEU B 27 1.199 5.692 -2.597 1.00 0.00 C ATOM 407 CD2 LEU B 27 2.077 3.380 -2.823 1.00 0.00 C ATOM 0 H LEU B 27 1.963 7.355 -4.532 1.00 0.00 H new ATOM 0 HA LEU B 27 0.598 5.708 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.087 4.032 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.536 3.817 -5.478 1.00 0.00 H new ATOM 0 HG LEU B 27 2.861 5.114 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.815 5.840 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU B 27 1.056 6.647 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.230 5.289 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.689 3.529 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU B 27 1.103 2.986 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU B 27 2.571 2.672 -3.489 1.00 0.00 H new ATOM 419 N CYS B 28 -1.611 6.242 -5.494 1.00 0.00 N ATOM 420 CA CYS B 28 -2.894 6.782 -4.975 1.00 0.00 C ATOM 421 C CYS B 28 -3.875 5.617 -4.783 1.00 0.00 C ATOM 422 O CYS B 28 -3.482 4.470 -4.732 1.00 0.00 O ATOM 423 CB CYS B 28 -3.473 7.793 -5.971 1.00 0.00 C ATOM 424 SG CYS B 28 -3.159 9.478 -5.386 1.00 0.00 S ATOM 0 H CYS B 28 -1.695 5.690 -6.347 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.727 7.286 -4.023 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -3.022 7.649 -6.953 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -4.545 7.632 -6.086 1.00 0.00 H new ATOM 429 N GLY B 29 -5.142 5.903 -4.667 1.00 0.00 N ATOM 430 CA GLY B 29 -6.154 4.821 -4.462 1.00 0.00 C ATOM 431 C GLY B 29 -5.808 3.559 -5.270 1.00 0.00 C ATOM 432 O GLY B 29 -5.595 2.500 -4.713 1.00 0.00 O ATOM 0 H GLY B 29 -5.526 6.847 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -6.210 4.571 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -7.139 5.183 -4.757 1.00 0.00 H new ATOM 436 N SER B 30 -5.786 3.648 -6.574 1.00 0.00 N ATOM 437 CA SER B 30 -5.496 2.435 -7.403 1.00 0.00 C ATOM 438 C SER B 30 -4.035 2.000 -7.258 1.00 0.00 C ATOM 439 O SER B 30 -3.741 0.825 -7.186 1.00 0.00 O ATOM 440 CB SER B 30 -5.788 2.739 -8.870 1.00 0.00 C ATOM 441 OG SER B 30 -4.587 3.144 -9.516 1.00 0.00 O ATOM 0 H SER B 30 -5.955 4.504 -7.102 1.00 0.00 H new ATOM 0 HA SER B 30 -6.133 1.623 -7.053 1.00 0.00 H new ATOM 0 HB2 SER B 30 -6.199 1.857 -9.361 1.00 0.00 H new ATOM 0 HB3 SER B 30 -6.539 3.525 -8.948 1.00 0.00 H new ATOM 0 HG SER B 30 -4.772 3.338 -10.459 1.00 0.00 H new ATOM 447 N ASP B 31 -3.111 2.915 -7.218 1.00 0.00 N ATOM 448 CA ASP B 31 -1.692 2.497 -7.074 1.00 0.00 C ATOM 449 C ASP B 31 -1.491 1.965 -5.657 1.00 0.00 C ATOM 450 O ASP B 31 -0.578 1.210 -5.386 1.00 0.00 O ATOM 451 CB ASP B 31 -0.766 3.685 -7.324 1.00 0.00 C ATOM 452 CG ASP B 31 -1.401 4.624 -8.352 1.00 0.00 C ATOM 453 OD1 ASP B 31 -2.362 5.289 -8.003 1.00 0.00 O ATOM 454 OD2 ASP B 31 -0.918 4.660 -9.472 1.00 0.00 O ATOM 0 H ASP B 31 -3.273 3.920 -7.278 1.00 0.00 H new ATOM 0 HA ASP B 31 -1.456 1.721 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -0.584 4.220 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP B 31 0.201 3.335 -7.685 1.00 0.00 H new ATOM 459 N LEU B 32 -2.359 2.338 -4.755 1.00 0.00 N ATOM 460 CA LEU B 32 -2.247 1.841 -3.359 1.00 0.00 C ATOM 461 C LEU B 32 -2.573 0.351 -3.363 1.00 0.00 C ATOM 462 O LEU B 32 -1.706 -0.482 -3.190 1.00 0.00 O ATOM 463 CB LEU B 32 -3.246 2.581 -2.465 1.00 0.00 C ATOM 464 CG LEU B 32 -2.505 3.592 -1.588 1.00 0.00 C ATOM 465 CD1 LEU B 32 -2.354 4.914 -2.344 1.00 0.00 C ATOM 466 CD2 LEU B 32 -3.303 3.831 -0.305 1.00 0.00 C ATOM 0 H LEU B 32 -3.142 2.968 -4.929 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.241 2.011 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -3.988 3.092 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -3.785 1.869 -1.840 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.518 3.201 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.826 5.633 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.788 4.746 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.340 5.305 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.777 4.551 0.322 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -4.289 4.221 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.412 2.891 0.236 1.00 0.00 H new ATOM 478 N VAL B 33 -3.818 0.010 -3.587 1.00 0.00 N ATOM 479 CA VAL B 33 -4.196 -1.431 -3.628 1.00 0.00 C ATOM 480 C VAL B 33 -3.139 -2.177 -4.434 1.00 0.00 C ATOM 481 O VAL B 33 -2.836 -3.326 -4.181 1.00 0.00 O ATOM 482 CB VAL B 33 -5.560 -1.582 -4.305 1.00 0.00 C ATOM 483 CG1 VAL B 33 -6.611 -0.807 -3.516 1.00 0.00 C ATOM 484 CG2 VAL B 33 -5.484 -1.021 -5.722 1.00 0.00 C ATOM 0 H VAL B 33 -4.584 0.666 -3.742 1.00 0.00 H new ATOM 0 HA VAL B 33 -4.256 -1.836 -2.618 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.833 -2.637 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -7.582 -0.915 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -6.665 -1.199 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -6.337 0.248 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.454 -1.127 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -5.211 0.034 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -4.732 -1.569 -6.290 1.00 0.00 H new ATOM 494 N GLU B 34 -2.559 -1.511 -5.395 1.00 0.00 N ATOM 495 CA GLU B 34 -1.500 -2.150 -6.213 1.00 0.00 C ATOM 496 C GLU B 34 -0.269 -2.358 -5.336 1.00 0.00 C ATOM 497 O GLU B 34 0.230 -3.456 -5.204 1.00 0.00 O ATOM 498 CB GLU B 34 -1.154 -1.238 -7.392 1.00 0.00 C ATOM 499 CG GLU B 34 -1.843 -1.752 -8.657 1.00 0.00 C ATOM 500 CD GLU B 34 -2.042 -0.594 -9.635 1.00 0.00 C ATOM 501 OE1 GLU B 34 -2.822 0.291 -9.323 1.00 0.00 O ATOM 502 OE2 GLU B 34 -1.410 -0.610 -10.678 1.00 0.00 O ATOM 0 H GLU B 34 -2.777 -0.547 -5.647 1.00 0.00 H new ATOM 0 HA GLU B 34 -1.844 -3.110 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -1.473 -0.217 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -0.074 -1.211 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -1.241 -2.534 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -2.805 -2.198 -8.404 1.00 0.00 H new ATOM 509 N ALA B 35 0.216 -1.316 -4.719 1.00 0.00 N ATOM 510 CA ALA B 35 1.405 -1.470 -3.838 1.00 0.00 C ATOM 511 C ALA B 35 1.087 -2.504 -2.759 1.00 0.00 C ATOM 512 O ALA B 35 1.788 -3.483 -2.599 1.00 0.00 O ATOM 513 CB ALA B 35 1.741 -0.129 -3.182 1.00 0.00 C ATOM 0 H ALA B 35 -0.158 -0.370 -4.787 1.00 0.00 H new ATOM 0 HA ALA B 35 2.261 -1.799 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA B 35 2.612 -0.247 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.958 0.609 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA B 35 0.892 0.207 -2.586 1.00 0.00 H new ATOM 519 N LEU B 36 0.027 -2.307 -2.022 1.00 0.00 N ATOM 520 CA LEU B 36 -0.327 -3.299 -0.975 1.00 0.00 C ATOM 521 C LEU B 36 -0.417 -4.673 -1.630 1.00 0.00 C ATOM 522 O LEU B 36 -0.302 -5.695 -0.984 1.00 0.00 O ATOM 523 CB LEU B 36 -1.687 -2.944 -0.363 1.00 0.00 C ATOM 524 CG LEU B 36 -1.661 -1.545 0.278 1.00 0.00 C ATOM 525 CD1 LEU B 36 -0.229 -1.139 0.639 1.00 0.00 C ATOM 526 CD2 LEU B 36 -2.247 -0.526 -0.700 1.00 0.00 C ATOM 0 H LEU B 36 -0.602 -1.508 -2.101 1.00 0.00 H new ATOM 0 HA LEU B 36 0.429 -3.297 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -2.456 -2.979 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.955 -3.686 0.389 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.256 -1.570 1.191 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.235 -0.147 1.091 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.185 -1.857 1.346 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.383 -1.124 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.229 0.465 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.655 -0.518 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.276 -0.798 -0.936 1.00 0.00 H new ATOM 538 N TYR B 37 -0.624 -4.695 -2.917 1.00 0.00 N ATOM 539 CA TYR B 37 -0.725 -5.992 -3.636 1.00 0.00 C ATOM 540 C TYR B 37 0.679 -6.483 -3.990 1.00 0.00 C ATOM 541 O TYR B 37 0.861 -7.582 -4.472 1.00 0.00 O ATOM 542 CB TYR B 37 -1.546 -5.804 -4.912 1.00 0.00 C ATOM 543 CG TYR B 37 -1.615 -7.152 -5.667 1.00 0.00 C ATOM 544 CD1 TYR B 37 -1.805 -8.369 -4.961 1.00 0.00 C ATOM 545 CD2 TYR B 37 -1.481 -7.204 -7.074 1.00 0.00 C ATOM 546 CE1 TYR B 37 -1.861 -9.586 -5.651 1.00 0.00 C ATOM 547 CE2 TYR B 37 -1.540 -8.430 -7.748 1.00 0.00 C ATOM 548 CZ TYR B 37 -1.730 -9.616 -7.039 1.00 0.00 C ATOM 549 OH TYR B 37 -1.785 -10.821 -7.709 1.00 0.00 O ATOM 0 H TYR B 37 -0.728 -3.866 -3.503 1.00 0.00 H new ATOM 0 HA TYR B 37 -1.216 -6.729 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.550 -5.458 -4.667 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -1.091 -5.041 -5.544 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -1.907 -8.356 -3.886 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -1.332 -6.292 -7.633 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -2.006 -10.507 -5.105 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -1.438 -8.457 -8.823 1.00 0.00 H new ATOM 0 HH TYR B 37 -1.678 -10.666 -8.671 1.00 0.00 H new ATOM 559 N LEU B 38 1.678 -5.681 -3.747 1.00 0.00 N ATOM 560 CA LEU B 38 3.070 -6.120 -4.059 1.00 0.00 C ATOM 561 C LEU B 38 3.789 -6.457 -2.753 1.00 0.00 C ATOM 562 O LEU B 38 4.387 -7.506 -2.611 1.00 0.00 O ATOM 563 CB LEU B 38 3.848 -5.010 -4.779 1.00 0.00 C ATOM 564 CG LEU B 38 2.887 -3.991 -5.388 1.00 0.00 C ATOM 565 CD1 LEU B 38 3.684 -2.812 -5.949 1.00 0.00 C ATOM 566 CD2 LEU B 38 2.087 -4.641 -6.515 1.00 0.00 C ATOM 0 H LEU B 38 1.594 -4.746 -3.348 1.00 0.00 H new ATOM 0 HA LEU B 38 3.021 -6.993 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU B 38 4.517 -4.513 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU B 38 4.471 -5.443 -5.561 1.00 0.00 H new ATOM 0 HG LEU B 38 2.202 -3.639 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.999 -2.084 -6.384 1.00 0.00 H new ATOM 0 HD12 LEU B 38 4.252 -2.342 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU B 38 4.370 -3.169 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU B 38 1.403 -3.909 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.769 -4.998 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU B 38 1.517 -5.481 -6.119 1.00 0.00 H new ATOM 578 N VAL B 39 3.740 -5.567 -1.800 1.00 0.00 N ATOM 579 CA VAL B 39 4.423 -5.819 -0.502 1.00 0.00 C ATOM 580 C VAL B 39 3.732 -6.972 0.232 1.00 0.00 C ATOM 581 O VAL B 39 4.329 -7.650 1.044 1.00 0.00 O ATOM 582 CB VAL B 39 4.365 -4.546 0.352 1.00 0.00 C ATOM 583 CG1 VAL B 39 4.587 -3.328 -0.545 1.00 0.00 C ATOM 584 CG2 VAL B 39 2.996 -4.430 1.027 1.00 0.00 C ATOM 0 H VAL B 39 3.254 -4.673 -1.866 1.00 0.00 H new ATOM 0 HA VAL B 39 5.464 -6.089 -0.682 1.00 0.00 H new ATOM 0 HB VAL B 39 5.140 -4.592 1.117 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.547 -2.420 0.057 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.563 -3.402 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.810 -3.292 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.964 -3.523 1.631 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.217 -4.386 0.265 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.831 -5.298 1.666 1.00 0.00 H new ATOM 594 N CYS B 40 2.476 -7.192 -0.040 1.00 0.00 N ATOM 595 CA CYS B 40 1.751 -8.294 0.650 1.00 0.00 C ATOM 596 C CYS B 40 1.172 -9.262 -0.381 1.00 0.00 C ATOM 597 O CYS B 40 0.879 -10.399 -0.067 1.00 0.00 O ATOM 598 CB CYS B 40 0.609 -7.708 1.488 1.00 0.00 C ATOM 599 SG CYS B 40 1.260 -7.076 3.057 1.00 0.00 S ATOM 0 H CYS B 40 1.922 -6.658 -0.709 1.00 0.00 H new ATOM 0 HA CYS B 40 2.447 -8.829 1.296 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.117 -6.906 0.938 1.00 0.00 H new ATOM 0 HB3 CYS B 40 -0.144 -8.473 1.678 1.00 0.00 H new ATOM 604 N GLY B 41 0.998 -8.826 -1.604 1.00 0.00 N ATOM 605 CA GLY B 41 0.423 -9.734 -2.644 1.00 0.00 C ATOM 606 C GLY B 41 -0.705 -10.550 -2.019 1.00 0.00 C ATOM 607 O GLY B 41 -0.959 -11.677 -2.395 1.00 0.00 O ATOM 0 H GLY B 41 1.228 -7.886 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY B 41 0.046 -9.152 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY B 41 1.195 -10.396 -3.035 1.00 0.00 H new ATOM 611 N GLU B 42 -1.365 -9.993 -1.041 1.00 0.00 N ATOM 612 CA GLU B 42 -2.454 -10.732 -0.358 1.00 0.00 C ATOM 613 C GLU B 42 -1.934 -12.111 0.018 1.00 0.00 C ATOM 614 O GLU B 42 -1.999 -13.048 -0.752 1.00 0.00 O ATOM 615 CB GLU B 42 -3.670 -10.876 -1.265 1.00 0.00 C ATOM 616 CG GLU B 42 -4.824 -11.440 -0.439 1.00 0.00 C ATOM 617 CD GLU B 42 -5.210 -10.440 0.653 1.00 0.00 C ATOM 618 OE1 GLU B 42 -5.590 -9.333 0.309 1.00 0.00 O ATOM 619 OE2 GLU B 42 -5.121 -10.800 1.816 1.00 0.00 O ATOM 0 H GLU B 42 -1.193 -9.052 -0.687 1.00 0.00 H new ATOM 0 HA GLU B 42 -2.760 -10.180 0.530 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -3.944 -9.910 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -3.443 -11.538 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -5.681 -11.640 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -4.533 -12.390 0.010 1.00 0.00 H new ATOM 626 N ARG B 43 -1.407 -12.234 1.196 1.00 0.00 N ATOM 627 CA ARG B 43 -0.862 -13.531 1.646 1.00 0.00 C ATOM 628 C ARG B 43 -2.009 -14.460 2.052 1.00 0.00 C ATOM 629 O ARG B 43 -2.019 -15.021 3.130 1.00 0.00 O ATOM 630 CB ARG B 43 0.037 -13.251 2.837 1.00 0.00 C ATOM 631 CG ARG B 43 1.287 -14.128 2.774 1.00 0.00 C ATOM 632 CD ARG B 43 1.980 -13.935 1.424 1.00 0.00 C ATOM 633 NE ARG B 43 1.940 -15.213 0.659 1.00 0.00 N ATOM 634 CZ ARG B 43 2.943 -15.548 -0.107 1.00 0.00 C ATOM 635 NH1 ARG B 43 3.646 -14.624 -0.702 1.00 0.00 N ATOM 636 NH2 ARG B 43 3.239 -16.807 -0.278 1.00 0.00 N ATOM 0 H ARG B 43 -1.330 -11.477 1.876 1.00 0.00 H new ATOM 0 HA ARG B 43 -0.300 -14.018 0.849 1.00 0.00 H new ATOM 0 HB2 ARG B 43 0.322 -12.199 2.847 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -0.504 -13.443 3.763 1.00 0.00 H new ATOM 0 HG2 ARG B 43 1.968 -13.868 3.584 1.00 0.00 H new ATOM 0 HG3 ARG B 43 1.016 -15.175 2.909 1.00 0.00 H new ATOM 0 HD2 ARG B 43 1.486 -13.145 0.859 1.00 0.00 H new ATOM 0 HD3 ARG B 43 3.013 -13.621 1.575 1.00 0.00 H new ATOM 0 HE ARG B 43 1.129 -15.827 0.734 1.00 0.00 H new ATOM 0 HH11 ARG B 43 3.412 -13.640 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG B 43 4.430 -14.885 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG B 43 2.687 -17.528 0.186 1.00 0.00 H new ATOM 0 HH22 ARG B 43 4.022 -17.070 -0.876 1.00 0.00 H new ATOM 650 N GLY B 44 -2.975 -14.624 1.192 1.00 0.00 N ATOM 651 CA GLY B 44 -4.128 -15.516 1.516 1.00 0.00 C ATOM 652 C GLY B 44 -5.357 -15.108 0.694 1.00 0.00 C ATOM 653 O GLY B 44 -6.367 -14.701 1.234 1.00 0.00 O ATOM 0 H GLY B 44 -3.018 -14.178 0.276 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -3.867 -16.553 1.304 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -4.356 -15.456 2.580 1.00 0.00 H new ATOM 657 N GLY B 45 -5.286 -15.219 -0.608 1.00 0.00 N ATOM 658 CA GLY B 45 -6.457 -14.842 -1.456 1.00 0.00 C ATOM 659 C GLY B 45 -6.148 -13.551 -2.219 1.00 0.00 C ATOM 660 O GLY B 45 -5.043 -13.341 -2.678 1.00 0.00 O ATOM 0 H GLY B 45 -4.470 -15.554 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -6.684 -15.645 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -7.340 -14.705 -0.833 1.00 0.00 H new ATOM 664 N PHE B 46 -7.114 -12.678 -2.352 1.00 0.00 N ATOM 665 CA PHE B 46 -6.872 -11.394 -3.077 1.00 0.00 C ATOM 666 C PHE B 46 -7.138 -10.222 -2.125 1.00 0.00 C ATOM 667 O PHE B 46 -7.510 -10.421 -0.985 1.00 0.00 O ATOM 668 CB PHE B 46 -7.807 -11.302 -4.285 1.00 0.00 C ATOM 669 CG PHE B 46 -9.166 -11.977 -3.922 1.00 0.00 C ATOM 670 CD1 PHE B 46 -9.979 -11.470 -2.868 1.00 0.00 C ATOM 671 CD2 PHE B 46 -9.628 -13.122 -4.624 1.00 0.00 C ATOM 672 CE1 PHE B 46 -11.195 -12.085 -2.548 1.00 0.00 C ATOM 673 CE2 PHE B 46 -10.847 -13.723 -4.286 1.00 0.00 C ATOM 674 CZ PHE B 46 -11.627 -13.205 -3.254 1.00 0.00 C ATOM 0 H PHE B 46 -8.060 -12.799 -1.990 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.839 -11.356 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -7.965 -10.259 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -7.359 -11.796 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -9.654 -10.604 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -9.033 -13.533 -5.426 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -11.802 -11.688 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -11.185 -14.594 -4.829 1.00 0.00 H new ATOM 0 HZ PHE B 46 -12.567 -13.672 -3.001 1.00 0.00 H new ATOM 684 N TYR B 47 -6.937 -9.008 -2.572 1.00 0.00 N ATOM 685 CA TYR B 47 -7.168 -7.833 -1.678 1.00 0.00 C ATOM 686 C TYR B 47 -8.429 -8.063 -0.841 1.00 0.00 C ATOM 687 O TYR B 47 -8.350 -8.366 0.329 1.00 0.00 O ATOM 688 CB TYR B 47 -7.320 -6.564 -2.521 1.00 0.00 C ATOM 689 CG TYR B 47 -6.460 -5.424 -1.882 1.00 0.00 C ATOM 690 CD1 TYR B 47 -5.133 -5.671 -1.410 1.00 0.00 C ATOM 691 CD2 TYR B 47 -6.975 -4.109 -1.743 1.00 0.00 C ATOM 692 CE1 TYR B 47 -4.380 -4.638 -0.835 1.00 0.00 C ATOM 693 CE2 TYR B 47 -6.203 -3.095 -1.166 1.00 0.00 C ATOM 694 CZ TYR B 47 -4.914 -3.357 -0.716 1.00 0.00 C ATOM 695 OH TYR B 47 -4.167 -2.347 -0.146 1.00 0.00 O ATOM 0 H TYR B 47 -6.624 -8.780 -3.516 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.315 -7.714 -1.010 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -6.997 -6.751 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -8.367 -6.265 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.708 -6.660 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.975 -3.888 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.379 -4.837 -0.482 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -6.612 -2.100 -1.069 1.00 0.00 H new ATOM 0 HH TYR B 47 -4.699 -1.895 0.542 1.00 0.00 H new ATOM 705 N THR B 48 -9.578 -7.916 -1.444 1.00 0.00 N ATOM 706 CA THR B 48 -10.882 -8.122 -0.728 1.00 0.00 C ATOM 707 C THR B 48 -11.301 -6.839 -0.017 1.00 0.00 C ATOM 708 O THR B 48 -12.461 -6.628 0.278 1.00 0.00 O ATOM 709 CB THR B 48 -10.770 -9.240 0.309 1.00 0.00 C ATOM 710 OG1 THR B 48 -10.383 -10.449 -0.326 1.00 0.00 O ATOM 711 CG2 THR B 48 -12.126 -9.418 0.978 1.00 0.00 C ATOM 0 H THR B 48 -9.675 -7.656 -2.425 1.00 0.00 H new ATOM 0 HA THR B 48 -11.627 -8.398 -1.474 1.00 0.00 H new ATOM 0 HB THR B 48 -10.018 -8.982 1.055 1.00 0.00 H new ATOM 0 HG1 THR B 48 -10.882 -10.553 -1.163 1.00 0.00 H new ATOM 0 HG21 THR B 48 -12.063 -10.213 1.721 1.00 0.00 H new ATOM 0 HG22 THR B 48 -12.416 -8.487 1.465 1.00 0.00 H new ATOM 0 HG23 THR B 48 -12.871 -9.682 0.227 1.00 0.00 H new ATOM 719 N LYS B 49 -10.368 -5.990 0.264 1.00 0.00 N ATOM 720 CA LYS B 49 -10.696 -4.720 0.963 1.00 0.00 C ATOM 721 C LYS B 49 -9.401 -3.947 1.228 1.00 0.00 C ATOM 722 O LYS B 49 -8.455 -4.498 1.754 1.00 0.00 O ATOM 723 CB LYS B 49 -11.381 -5.035 2.294 1.00 0.00 C ATOM 724 CG LYS B 49 -12.330 -3.894 2.661 1.00 0.00 C ATOM 725 CD LYS B 49 -12.638 -3.944 4.158 1.00 0.00 C ATOM 726 CE LYS B 49 -14.068 -3.455 4.400 1.00 0.00 C ATOM 727 NZ LYS B 49 -14.062 -2.395 5.448 1.00 0.00 N ATOM 0 H LYS B 49 -9.381 -6.117 0.040 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.364 -4.120 0.345 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.933 -5.972 2.218 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.634 -5.168 3.077 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.879 -2.936 2.404 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -13.253 -3.976 2.087 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.522 -4.962 4.530 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.931 -3.321 4.707 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -14.491 -3.064 3.475 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -14.700 -4.286 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -15.034 -2.063 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -13.675 -2.783 6.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -13.473 -1.598 5.132 1.00 0.00 H new ATOM 741 N PRO B 50 -9.390 -2.695 0.853 1.00 0.00 N ATOM 742 CA PRO B 50 -8.218 -1.832 1.038 1.00 0.00 C ATOM 743 C PRO B 50 -8.109 -1.381 2.495 1.00 0.00 C ATOM 744 O PRO B 50 -9.100 -1.133 3.155 1.00 0.00 O ATOM 745 CB PRO B 50 -8.491 -0.649 0.110 1.00 0.00 C ATOM 746 CG PRO B 50 -10.020 -0.613 -0.108 1.00 0.00 C ATOM 747 CD PRO B 50 -10.538 -2.024 0.216 1.00 0.00 C ATOM 0 HA PRO B 50 -7.276 -2.332 0.810 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -8.139 0.282 0.554 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -7.966 -0.769 -0.838 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -10.487 0.130 0.538 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -10.259 -0.338 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -11.399 -1.988 0.884 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -10.855 -2.548 -0.685 1.00 0.00 H new ATOM 755 N THR B 51 -6.913 -1.279 3.005 1.00 0.00 N ATOM 756 CA THR B 51 -6.742 -0.849 4.421 1.00 0.00 C ATOM 757 C THR B 51 -5.275 -0.498 4.677 1.00 0.00 C ATOM 758 O THR B 51 -4.988 0.016 5.745 1.00 0.00 O ATOM 759 CB THR B 51 -7.162 -1.989 5.353 1.00 0.00 C ATOM 760 OG1 THR B 51 -7.432 -3.153 4.584 1.00 0.00 O ATOM 761 CG2 THR B 51 -8.419 -1.583 6.122 1.00 0.00 C ATOM 762 OXT THR B 51 -4.465 -0.749 3.800 1.00 0.00 O ATOM 0 H THR B 51 -6.047 -1.475 2.503 1.00 0.00 H new ATOM 0 HA THR B 51 -7.363 0.027 4.611 1.00 0.00 H new ATOM 0 HB THR B 51 -6.357 -2.197 6.058 1.00 0.00 H new ATOM 0 HG1 THR B 51 -7.700 -3.884 5.180 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.718 -2.395 6.785 1.00 0.00 H new ATOM 0 HG22 THR B 51 -8.212 -0.690 6.712 1.00 0.00 H new ATOM 0 HG23 THR B 51 -9.225 -1.374 5.418 1.00 0.00 H new TER 770 THR B 51