USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=11 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= 0.0499 USER MOD Set 1.2: A 15 GLN : amide:sc= -1.09 K(o=-1,f=-0.0058) USER MOD Set 2.1: A 5 GLN : amide:sc= -4.5! C(o=-4.5!,f=-5.8!) 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 180:sc= -0.534 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 : amide:sc= -0.561 X(o=-0.56,f=-0.081) USER MOD Single : A 21 ASN : amide:sc= -2.19! C(o=-2.2!,f=-5.3!) USER MOD Single : B 24 ASN : amide:sc= -0.713 K(o=-0.71,f=-0.098) USER MOD Single : B 25 GLN : amide:sc= -1.5! K(o=-1.5!,f=0) USER MOD Single : B 26 HIS : no HE2:sc= 0.558 K(o=0.56,f=-3.3!) USER MOD Single : B 30 SER OG : rot 180:sc= 0.00332 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot 30:sc= -0.139 USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 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 -0.547 19.869 -13.352 1.00 0.00 N ATOM 2 CA GLY A 1 -0.419 19.180 -11.992 1.00 0.00 C ATOM 3 C GLY A 1 0.738 18.281 -11.727 1.00 0.00 C ATOM 4 O GLY A 1 1.408 17.832 -12.636 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.406 20.455 -13.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.285 20.471 -13.516 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.607 19.150 -14.101 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.406 19.961 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.327 18.597 -11.835 1.00 0.00 H new ATOM 10 N ILE A 2 1.007 17.995 -10.483 1.00 0.00 N ATOM 11 CA ILE A 2 2.153 17.103 -10.153 1.00 0.00 C ATOM 12 C ILE A 2 2.005 15.778 -10.910 1.00 0.00 C ATOM 13 O ILE A 2 2.973 15.132 -11.243 1.00 0.00 O ATOM 14 CB ILE A 2 2.179 16.852 -8.634 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.289 15.834 -8.285 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.809 16.336 -8.158 1.00 0.00 C ATOM 17 CD1 ILE A 2 3.343 15.605 -6.781 1.00 0.00 C ATOM 0 H ILE A 2 0.482 18.341 -9.680 1.00 0.00 H new ATOM 0 HA ILE A 2 3.089 17.575 -10.452 1.00 0.00 H new ATOM 0 HB ILE A 2 2.393 17.791 -8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.100 14.890 -8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.253 16.201 -8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.839 16.162 -7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.042 17.077 -8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.574 15.403 -8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.129 14.886 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.554 16.548 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.384 15.217 -6.437 1.00 0.00 H new ATOM 29 N VAL A 3 0.804 15.363 -11.174 1.00 0.00 N ATOM 30 CA VAL A 3 0.598 14.076 -11.888 1.00 0.00 C ATOM 31 C VAL A 3 1.269 14.104 -13.269 1.00 0.00 C ATOM 32 O VAL A 3 2.002 13.209 -13.625 1.00 0.00 O ATOM 33 CB VAL A 3 -0.906 13.842 -12.030 1.00 0.00 C ATOM 34 CG1 VAL A 3 -1.167 12.546 -12.793 1.00 0.00 C ATOM 35 CG2 VAL A 3 -1.520 13.738 -10.633 1.00 0.00 C ATOM 0 H VAL A 3 -0.050 15.861 -10.925 1.00 0.00 H new ATOM 0 HA VAL A 3 1.051 13.264 -11.320 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.352 14.671 -12.579 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.242 12.390 -12.888 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.721 12.612 -13.785 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.725 11.710 -12.251 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.594 13.571 -10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.065 12.905 -10.097 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.340 14.664 -10.086 1.00 0.00 H new ATOM 45 N GLU A 4 1.022 15.108 -14.055 1.00 0.00 N ATOM 46 CA GLU A 4 1.646 15.158 -15.413 1.00 0.00 C ATOM 47 C GLU A 4 3.161 14.945 -15.329 1.00 0.00 C ATOM 48 O GLU A 4 3.701 14.018 -15.893 1.00 0.00 O ATOM 49 CB GLU A 4 1.376 16.531 -16.041 1.00 0.00 C ATOM 50 CG GLU A 4 2.216 16.708 -17.321 1.00 0.00 C ATOM 51 CD GLU A 4 1.560 17.746 -18.237 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.445 17.505 -18.670 1.00 0.00 O ATOM 53 OE2 GLU A 4 2.184 18.764 -18.488 1.00 0.00 O ATOM 0 H GLU A 4 0.418 15.897 -13.823 1.00 0.00 H new ATOM 0 HA GLU A 4 1.212 14.364 -16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.316 16.629 -16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.618 17.319 -15.327 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.226 17.025 -17.062 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.305 15.755 -17.842 1.00 0.00 H new ATOM 60 N GLN A 5 3.855 15.819 -14.669 1.00 0.00 N ATOM 61 CA GLN A 5 5.335 15.690 -14.607 1.00 0.00 C ATOM 62 C GLN A 5 5.768 14.362 -13.965 1.00 0.00 C ATOM 63 O GLN A 5 6.726 13.752 -14.391 1.00 0.00 O ATOM 64 CB GLN A 5 5.912 16.852 -13.793 1.00 0.00 C ATOM 65 CG GLN A 5 5.599 18.181 -14.490 1.00 0.00 C ATOM 66 CD GLN A 5 4.142 18.566 -14.233 0.50 0.00 C ATOM 67 OE1 GLN A 5 3.408 18.870 -15.152 0.50 0.00 O ATOM 68 NE2 GLN A 5 3.694 18.565 -13.011 0.50 0.00 N ATOM 0 H GLN A 5 3.465 16.618 -14.169 1.00 0.00 H new ATOM 0 HA GLN A 5 5.714 15.711 -15.629 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.489 16.849 -12.788 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.990 16.732 -13.685 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.263 18.962 -14.120 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.778 18.092 -15.561 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.312 18.309 -12.241 0.50 0.00 H new ATOM 0 HE22 GLN A 5 2.724 18.820 -12.823 0.50 0.00 H new ATOM 77 N CYS A 6 5.109 13.938 -12.923 1.00 0.00 N ATOM 78 CA CYS A 6 5.517 12.675 -12.222 1.00 0.00 C ATOM 79 C CYS A 6 4.884 11.429 -12.859 1.00 0.00 C ATOM 80 O CYS A 6 5.537 10.423 -13.052 1.00 0.00 O ATOM 81 CB CYS A 6 5.078 12.790 -10.763 1.00 0.00 C ATOM 82 SG CYS A 6 5.336 14.492 -10.231 1.00 0.00 S ATOM 0 H CYS A 6 4.300 14.411 -12.520 1.00 0.00 H new ATOM 0 HA CYS A 6 6.598 12.558 -12.303 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.029 12.514 -10.659 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.651 12.105 -10.138 1.00 0.00 H new ATOM 87 N CYS A 7 3.614 11.464 -13.143 1.00 0.00 N ATOM 88 CA CYS A 7 2.948 10.260 -13.724 1.00 0.00 C ATOM 89 C CYS A 7 3.177 10.186 -15.239 1.00 0.00 C ATOM 90 O CYS A 7 3.622 9.179 -15.752 1.00 0.00 O ATOM 91 CB CYS A 7 1.451 10.328 -13.422 1.00 0.00 C ATOM 92 SG CYS A 7 0.659 8.774 -13.909 1.00 0.00 S ATOM 0 H CYS A 7 3.006 12.271 -13.000 1.00 0.00 H new ATOM 0 HA CYS A 7 3.377 9.364 -13.276 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.293 10.511 -12.359 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.999 11.162 -13.960 1.00 0.00 H new ATOM 97 N THR A 8 2.881 11.231 -15.964 1.00 0.00 N ATOM 98 CA THR A 8 3.096 11.183 -17.442 1.00 0.00 C ATOM 99 C THR A 8 4.599 11.213 -17.727 1.00 0.00 C ATOM 100 O THR A 8 5.072 10.660 -18.700 1.00 0.00 O ATOM 101 CB THR A 8 2.416 12.387 -18.103 1.00 0.00 C ATOM 102 OG1 THR A 8 1.137 12.585 -17.517 1.00 0.00 O ATOM 103 CG2 THR A 8 2.253 12.130 -19.598 1.00 0.00 C ATOM 0 H THR A 8 2.504 12.107 -15.604 1.00 0.00 H new ATOM 0 HA THR A 8 2.665 10.268 -17.848 1.00 0.00 H new ATOM 0 HB THR A 8 3.030 13.275 -17.955 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.701 13.356 -17.937 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.769 12.988 -20.064 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.233 11.976 -20.050 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.640 11.241 -19.750 1.00 0.00 H new ATOM 111 N SER A 9 5.348 11.849 -16.868 1.00 0.00 N ATOM 112 CA SER A 9 6.830 11.930 -17.039 1.00 0.00 C ATOM 113 C SER A 9 7.472 11.605 -15.696 1.00 0.00 C ATOM 114 O SER A 9 6.790 11.449 -14.708 1.00 0.00 O ATOM 115 CB SER A 9 7.222 13.345 -17.457 1.00 0.00 C ATOM 116 OG SER A 9 6.732 13.604 -18.766 1.00 0.00 O ATOM 0 H SER A 9 4.990 12.325 -16.040 1.00 0.00 H new ATOM 0 HA SER A 9 7.163 11.230 -17.805 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.813 14.070 -16.754 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.306 13.455 -17.434 1.00 0.00 H new ATOM 0 HG SER A 9 6.982 14.513 -19.035 1.00 0.00 H new ATOM 122 N ILE A 10 8.769 11.502 -15.631 1.00 0.00 N ATOM 123 CA ILE A 10 9.410 11.194 -14.317 1.00 0.00 C ATOM 124 C ILE A 10 9.653 12.505 -13.568 1.00 0.00 C ATOM 125 O ILE A 10 10.214 13.443 -14.098 1.00 0.00 O ATOM 126 CB ILE A 10 10.736 10.453 -14.528 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.479 9.202 -15.398 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.309 10.036 -13.160 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.621 8.186 -15.243 1.00 0.00 C ATOM 0 H ILE A 10 9.408 11.615 -16.418 1.00 0.00 H new ATOM 0 HA ILE A 10 8.751 10.551 -13.733 1.00 0.00 H new ATOM 0 HB ILE A 10 11.453 11.102 -15.031 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.534 8.741 -15.110 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.385 9.494 -16.444 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.252 9.509 -13.306 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.480 10.924 -12.551 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.601 9.380 -12.654 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.419 7.314 -15.864 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.560 8.644 -15.555 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.696 7.879 -14.200 1.00 0.00 H new ATOM 141 N CYS A 11 9.227 12.574 -12.336 1.00 0.00 N ATOM 142 CA CYS A 11 9.418 13.819 -11.535 1.00 0.00 C ATOM 143 C CYS A 11 10.716 13.729 -10.740 1.00 0.00 C ATOM 144 O CYS A 11 11.490 12.801 -10.866 1.00 0.00 O ATOM 145 CB CYS A 11 8.247 13.973 -10.547 1.00 0.00 C ATOM 146 SG CYS A 11 6.981 15.049 -11.247 1.00 0.00 S ATOM 0 H CYS A 11 8.751 11.816 -11.846 1.00 0.00 H new ATOM 0 HA CYS A 11 9.458 14.674 -12.210 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.820 12.996 -10.322 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.608 14.388 -9.606 1.00 0.00 H new ATOM 151 N SER A 12 10.923 14.695 -9.897 1.00 0.00 N ATOM 152 CA SER A 12 12.124 14.723 -9.031 1.00 0.00 C ATOM 153 C SER A 12 11.673 15.164 -7.640 1.00 0.00 C ATOM 154 O SER A 12 10.676 15.834 -7.477 1.00 0.00 O ATOM 155 CB SER A 12 13.154 15.713 -9.611 1.00 0.00 C ATOM 156 OG SER A 12 12.765 16.067 -10.932 1.00 0.00 O ATOM 0 H SER A 12 10.292 15.486 -9.770 1.00 0.00 H new ATOM 0 HA SER A 12 12.596 13.742 -8.977 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.214 16.603 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.146 15.262 -9.619 1.00 0.00 H new ATOM 0 HG SER A 12 12.034 16.718 -10.894 1.00 0.00 H new ATOM 162 N LEU A 13 12.406 14.795 -6.646 1.00 0.00 N ATOM 163 CA LEU A 13 12.061 15.184 -5.254 1.00 0.00 C ATOM 164 C LEU A 13 11.667 16.654 -5.224 1.00 0.00 C ATOM 165 O LEU A 13 10.572 17.024 -4.862 1.00 0.00 O ATOM 166 CB LEU A 13 13.320 14.995 -4.412 1.00 0.00 C ATOM 167 CG LEU A 13 13.160 15.647 -3.037 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.830 15.218 -2.421 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.299 15.190 -2.138 1.00 0.00 C ATOM 0 H LEU A 13 13.249 14.228 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 13 11.234 14.583 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.526 13.931 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.176 15.430 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 13 13.179 16.732 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.716 15.682 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.011 15.531 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.812 14.134 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.194 15.650 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.269 14.105 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.251 15.487 -2.577 1.00 0.00 H new ATOM 181 N TYR A 14 12.581 17.475 -5.610 1.00 0.00 N ATOM 182 CA TYR A 14 12.346 18.947 -5.634 1.00 0.00 C ATOM 183 C TYR A 14 10.999 19.221 -6.279 1.00 0.00 C ATOM 184 O TYR A 14 10.199 19.989 -5.782 1.00 0.00 O ATOM 185 CB TYR A 14 13.469 19.603 -6.433 1.00 0.00 C ATOM 186 CG TYR A 14 14.748 18.852 -6.152 1.00 0.00 C ATOM 187 CD1 TYR A 14 15.358 18.936 -4.895 1.00 0.00 C ATOM 188 CD2 TYR A 14 15.308 18.062 -7.147 1.00 0.00 C ATOM 189 CE1 TYR A 14 16.539 18.225 -4.644 1.00 0.00 C ATOM 190 CE2 TYR A 14 16.483 17.351 -6.904 1.00 0.00 C ATOM 191 CZ TYR A 14 17.102 17.431 -5.651 1.00 0.00 C ATOM 192 OH TYR A 14 18.265 16.729 -5.408 1.00 0.00 O ATOM 0 H TYR A 14 13.510 17.190 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 14 12.339 19.356 -4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.241 19.580 -7.499 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.574 20.651 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.919 19.547 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.831 17.998 -8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.014 18.289 -3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.915 16.739 -7.682 1.00 0.00 H new ATOM 0 HH TYR A 14 18.519 16.228 -6.211 1.00 0.00 H new ATOM 202 N GLN A 15 10.728 18.570 -7.368 1.00 0.00 N ATOM 203 CA GLN A 15 9.413 18.769 -8.019 1.00 0.00 C ATOM 204 C GLN A 15 8.352 18.245 -7.066 1.00 0.00 C ATOM 205 O GLN A 15 7.268 18.773 -6.985 1.00 0.00 O ATOM 206 CB GLN A 15 9.355 18.011 -9.348 1.00 0.00 C ATOM 207 CG GLN A 15 10.216 18.729 -10.389 1.00 0.00 C ATOM 208 CD GLN A 15 9.914 18.158 -11.762 1.00 0.00 C ATOM 209 OE1 GLN A 15 10.807 17.781 -12.494 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.679 18.082 -12.140 1.00 0.00 N ATOM 0 H GLN A 15 11.355 17.913 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 15 9.248 19.825 -8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.709 16.989 -9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.324 17.947 -9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.011 19.799 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.273 18.604 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.935 18.401 -11.519 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.449 17.703 -13.059 1.00 0.00 H new ATOM 219 N LEU A 16 8.667 17.231 -6.304 1.00 0.00 N ATOM 220 CA LEU A 16 7.658 16.718 -5.334 1.00 0.00 C ATOM 221 C LEU A 16 7.557 17.713 -4.188 1.00 0.00 C ATOM 222 O LEU A 16 6.509 17.916 -3.607 1.00 0.00 O ATOM 223 CB LEU A 16 8.082 15.341 -4.778 1.00 0.00 C ATOM 224 CG LEU A 16 7.260 14.217 -5.414 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.606 14.111 -6.891 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.578 12.894 -4.712 1.00 0.00 C ATOM 0 H LEU A 16 9.563 16.744 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 16 6.698 16.602 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.142 15.177 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.951 15.325 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 16 6.197 14.435 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.021 13.311 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.377 15.054 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.668 13.892 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.993 12.093 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.640 12.672 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.327 12.974 -3.654 1.00 0.00 H new ATOM 238 N GLU A 17 8.652 18.315 -3.850 1.00 0.00 N ATOM 239 CA GLU A 17 8.654 19.274 -2.737 1.00 0.00 C ATOM 240 C GLU A 17 7.796 20.480 -3.077 1.00 0.00 C ATOM 241 O GLU A 17 7.114 21.044 -2.244 1.00 0.00 O ATOM 242 CB GLU A 17 10.074 19.753 -2.504 1.00 0.00 C ATOM 243 CG GLU A 17 10.985 18.583 -2.088 1.00 0.00 C ATOM 244 CD GLU A 17 12.145 19.097 -1.230 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.975 19.818 -1.760 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.183 18.761 -0.057 1.00 0.00 O ATOM 0 H GLU A 17 9.554 18.179 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 17 8.257 18.783 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.460 20.215 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.081 20.519 -1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.409 17.845 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.373 18.081 -2.974 1.00 0.00 H new ATOM 253 N ASN A 18 7.854 20.881 -4.297 1.00 0.00 N ATOM 254 CA ASN A 18 7.079 22.067 -4.752 1.00 0.00 C ATOM 255 C ASN A 18 5.628 21.953 -4.292 1.00 0.00 C ATOM 256 O ASN A 18 4.975 22.929 -3.978 1.00 0.00 O ATOM 257 CB ASN A 18 7.116 22.093 -6.293 1.00 0.00 C ATOM 258 CG ASN A 18 8.169 23.089 -6.795 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.122 24.258 -6.467 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.121 22.668 -7.582 1.00 0.00 N ATOM 0 H ASN A 18 8.415 20.434 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 18 7.511 22.977 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.341 21.096 -6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.135 22.368 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.827 23.321 -7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.159 21.686 -7.856 1.00 0.00 H new ATOM 267 N TYR A 19 5.117 20.772 -4.317 1.00 0.00 N ATOM 268 CA TYR A 19 3.691 20.548 -3.959 1.00 0.00 C ATOM 269 C TYR A 19 3.487 20.328 -2.460 1.00 0.00 C ATOM 270 O TYR A 19 2.384 20.084 -2.026 1.00 0.00 O ATOM 271 CB TYR A 19 3.218 19.326 -4.730 1.00 0.00 C ATOM 272 CG TYR A 19 3.641 19.480 -6.174 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.137 20.532 -6.935 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.543 18.583 -6.742 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.533 20.693 -8.269 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.945 18.738 -8.077 1.00 0.00 C ATOM 277 CZ TYR A 19 4.440 19.796 -8.840 1.00 0.00 C ATOM 278 OH TYR A 19 4.833 19.951 -10.154 1.00 0.00 O ATOM 0 H TYR A 19 5.630 19.929 -4.574 1.00 0.00 H new ATOM 0 HA TYR A 19 3.117 21.438 -4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.647 18.419 -4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.135 19.229 -4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.437 21.227 -6.494 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.934 17.766 -6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.138 21.509 -8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.644 18.041 -8.515 1.00 0.00 H new ATOM 0 HH TYR A 19 5.467 19.243 -10.391 1.00 0.00 H new ATOM 288 N CYS A 20 4.501 20.403 -1.646 1.00 0.00 N ATOM 289 CA CYS A 20 4.246 20.191 -0.196 1.00 0.00 C ATOM 290 C CYS A 20 3.557 21.414 0.395 1.00 0.00 C ATOM 291 O CYS A 20 4.141 22.180 1.135 1.00 0.00 O ATOM 292 CB CYS A 20 5.534 19.962 0.546 1.00 0.00 C ATOM 293 SG CYS A 20 6.399 18.563 -0.181 1.00 0.00 S ATOM 0 H CYS A 20 5.467 20.596 -1.910 1.00 0.00 H new ATOM 0 HA CYS A 20 3.609 19.313 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.158 20.854 0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.331 19.771 1.600 1.00 0.00 H new ATOM 298 N ASN A 21 2.316 21.589 0.082 1.00 0.00 N ATOM 299 CA ASN A 21 1.560 22.746 0.626 1.00 0.00 C ATOM 300 C ASN A 21 2.342 24.037 0.365 1.00 0.00 C ATOM 301 O ASN A 21 2.311 24.911 1.215 1.00 0.00 O ATOM 302 CB ASN A 21 1.370 22.547 2.129 1.00 0.00 C ATOM 303 CG ASN A 21 0.543 23.698 2.704 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.092 24.559 1.975 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.324 23.750 3.989 1.00 0.00 N ATOM 306 OXT ASN A 21 2.961 24.128 -0.682 1.00 0.00 O ATOM 0 H ASN A 21 1.782 20.976 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 21 0.587 22.818 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.870 21.597 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.340 22.501 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.226 24.514 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.703 23.027 4.601 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 16.825 10.498 -4.378 1.00 0.00 N ATOM 315 CA PHE B 22 15.399 10.090 -4.525 1.00 0.00 C ATOM 316 C PHE B 22 15.300 9.007 -5.607 1.00 0.00 C ATOM 317 O PHE B 22 16.252 8.299 -5.867 1.00 0.00 O ATOM 318 CB PHE B 22 14.563 11.323 -4.912 1.00 0.00 C ATOM 319 CG PHE B 22 13.121 11.146 -4.471 1.00 0.00 C ATOM 320 CD1 PHE B 22 12.794 11.210 -3.111 1.00 0.00 C ATOM 321 CD2 PHE B 22 12.113 10.923 -5.420 1.00 0.00 C ATOM 322 CE1 PHE B 22 11.465 11.052 -2.701 1.00 0.00 C ATOM 323 CE2 PHE B 22 10.783 10.764 -5.009 1.00 0.00 C ATOM 324 CZ PHE B 22 10.458 10.829 -3.648 1.00 0.00 C ATOM 0 HA PHE B 22 15.017 9.687 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE B 22 14.984 12.215 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE B 22 14.604 11.474 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE B 22 13.568 11.381 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE B 22 12.362 10.874 -6.470 1.00 0.00 H new ATOM 0 HE1 PHE B 22 11.216 11.102 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE B 22 10.008 10.591 -5.742 1.00 0.00 H new ATOM 0 HZ PHE B 22 9.433 10.707 -3.330 1.00 0.00 H new ATOM 336 N VAL B 23 14.155 8.868 -6.232 1.00 0.00 N ATOM 337 CA VAL B 23 13.981 7.823 -7.294 1.00 0.00 C ATOM 338 C VAL B 23 13.560 8.476 -8.611 1.00 0.00 C ATOM 339 O VAL B 23 13.132 9.613 -8.651 1.00 0.00 O ATOM 340 CB VAL B 23 12.897 6.839 -6.858 1.00 0.00 C ATOM 341 CG1 VAL B 23 11.630 7.615 -6.522 1.00 0.00 C ATOM 342 CG2 VAL B 23 12.603 5.847 -7.992 1.00 0.00 C ATOM 0 H VAL B 23 13.328 9.437 -6.052 1.00 0.00 H new ATOM 0 HA VAL B 23 14.927 7.301 -7.438 1.00 0.00 H new ATOM 0 HB VAL B 23 13.239 6.286 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.850 6.921 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.837 8.316 -5.714 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.295 8.164 -7.402 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.829 5.149 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL B 23 12.260 6.391 -8.872 1.00 0.00 H new ATOM 0 HG23 VAL B 23 13.511 5.295 -8.237 1.00 0.00 H new ATOM 352 N ASN B 24 13.672 7.743 -9.687 1.00 0.00 N ATOM 353 CA ASN B 24 13.278 8.261 -11.031 1.00 0.00 C ATOM 354 C ASN B 24 12.222 7.320 -11.609 1.00 0.00 C ATOM 355 O ASN B 24 12.486 6.562 -12.521 1.00 0.00 O ATOM 356 CB ASN B 24 14.508 8.275 -11.941 1.00 0.00 C ATOM 357 CG ASN B 24 15.380 9.487 -11.608 1.00 0.00 C ATOM 358 OD1 ASN B 24 16.587 9.377 -11.519 1.00 0.00 O ATOM 359 ND2 ASN B 24 14.816 10.649 -11.418 1.00 0.00 N ATOM 0 H ASN B 24 14.027 6.787 -9.691 1.00 0.00 H new ATOM 0 HA ASN B 24 12.879 9.272 -10.954 1.00 0.00 H new ATOM 0 HB2 ASN B 24 15.080 7.356 -11.810 1.00 0.00 H new ATOM 0 HB3 ASN B 24 14.199 8.313 -12.986 1.00 0.00 H new ATOM 0 HD21 ASN B 24 15.388 11.463 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN B 24 13.803 10.743 -11.492 1.00 0.00 H new ATOM 366 N GLN B 25 11.033 7.344 -11.056 1.00 0.00 N ATOM 367 CA GLN B 25 9.943 6.437 -11.531 1.00 0.00 C ATOM 368 C GLN B 25 8.731 7.258 -11.979 1.00 0.00 C ATOM 369 O GLN B 25 8.632 8.443 -11.728 1.00 0.00 O ATOM 370 CB GLN B 25 9.528 5.529 -10.352 1.00 0.00 C ATOM 371 CG GLN B 25 10.343 4.231 -10.365 1.00 0.00 C ATOM 372 CD GLN B 25 9.841 3.303 -9.258 1.00 0.00 C ATOM 373 OE1 GLN B 25 10.397 2.245 -9.036 1.00 0.00 O ATOM 374 NE2 GLN B 25 8.805 3.657 -8.548 1.00 0.00 N ATOM 0 H GLN B 25 10.770 7.961 -10.287 1.00 0.00 H new ATOM 0 HA GLN B 25 10.297 5.843 -12.374 1.00 0.00 H new ATOM 0 HB2 GLN B 25 9.682 6.053 -9.409 1.00 0.00 H new ATOM 0 HB3 GLN B 25 8.465 5.299 -10.419 1.00 0.00 H new ATOM 0 HG2 GLN B 25 10.251 3.741 -11.334 1.00 0.00 H new ATOM 0 HG3 GLN B 25 11.400 4.451 -10.218 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.338 4.545 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.462 3.046 -7.807 1.00 0.00 H new ATOM 383 N HIS B 26 7.793 6.608 -12.612 1.00 0.00 N ATOM 384 CA HIS B 26 6.554 7.300 -13.056 1.00 0.00 C ATOM 385 C HIS B 26 5.550 7.196 -11.913 1.00 0.00 C ATOM 386 O HIS B 26 4.820 6.231 -11.798 1.00 0.00 O ATOM 387 CB HIS B 26 5.998 6.603 -14.305 1.00 0.00 C ATOM 388 CG HIS B 26 6.715 7.104 -15.529 1.00 0.00 C ATOM 389 ND1 HIS B 26 6.145 8.032 -16.389 1.00 0.00 N ATOM 390 CD2 HIS B 26 7.956 6.822 -16.048 1.00 0.00 C ATOM 391 CE1 HIS B 26 7.031 8.273 -17.371 1.00 0.00 C ATOM 392 NE2 HIS B 26 8.147 7.562 -17.208 1.00 0.00 N ATOM 0 H HIS B 26 7.835 5.615 -12.842 1.00 0.00 H new ATOM 0 HA HIS B 26 6.752 8.343 -13.303 1.00 0.00 H new ATOM 0 HB2 HIS B 26 6.122 5.524 -14.216 1.00 0.00 H new ATOM 0 HB3 HIS B 26 4.929 6.795 -14.394 1.00 0.00 H new ATOM 0 HD1 HIS B 26 5.222 8.455 -16.293 1.00 0.00 H new ATOM 0 HD2 HIS B 26 8.670 6.133 -15.621 1.00 0.00 H new ATOM 0 HE1 HIS B 26 6.860 8.957 -18.189 1.00 0.00 H new ATOM 400 N LEU B 27 5.534 8.164 -11.045 1.00 0.00 N ATOM 401 CA LEU B 27 4.610 8.106 -9.882 1.00 0.00 C ATOM 402 C LEU B 27 3.212 8.566 -10.280 1.00 0.00 C ATOM 403 O LEU B 27 3.047 9.537 -10.988 1.00 0.00 O ATOM 404 CB LEU B 27 5.118 9.016 -8.765 1.00 0.00 C ATOM 405 CG LEU B 27 6.624 8.825 -8.530 1.00 0.00 C ATOM 406 CD1 LEU B 27 7.149 9.981 -7.676 1.00 0.00 C ATOM 407 CD2 LEU B 27 6.865 7.508 -7.789 1.00 0.00 C ATOM 0 H LEU B 27 6.123 8.996 -11.090 1.00 0.00 H new ATOM 0 HA LEU B 27 4.569 7.073 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU B 27 4.917 10.056 -9.021 1.00 0.00 H new ATOM 0 HB3 LEU B 27 4.574 8.803 -7.844 1.00 0.00 H new ATOM 0 HG LEU B 27 7.141 8.804 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU B 27 8.218 9.851 -7.506 1.00 0.00 H new ATOM 0 HD12 LEU B 27 6.976 10.924 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU B 27 6.628 9.992 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.934 7.374 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU B 27 6.349 7.531 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU B 27 6.484 6.680 -8.386 1.00 0.00 H new ATOM 419 N CYS B 28 2.198 7.890 -9.802 1.00 0.00 N ATOM 420 CA CYS B 28 0.801 8.297 -10.131 1.00 0.00 C ATOM 421 C CYS B 28 -0.076 8.162 -8.889 1.00 0.00 C ATOM 422 O CYS B 28 -0.184 7.105 -8.298 1.00 0.00 O ATOM 423 CB CYS B 28 0.259 7.398 -11.243 1.00 0.00 C ATOM 424 SG CYS B 28 1.417 7.402 -12.634 1.00 0.00 S ATOM 0 H CYS B 28 2.279 7.073 -9.197 1.00 0.00 H new ATOM 0 HA CYS B 28 0.793 9.334 -10.466 1.00 0.00 H new ATOM 0 HB2 CYS B 28 0.123 6.382 -10.871 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -0.719 7.752 -11.568 1.00 0.00 H new ATOM 429 N GLY B 29 -0.714 9.235 -8.508 1.00 0.00 N ATOM 430 CA GLY B 29 -1.613 9.220 -7.319 1.00 0.00 C ATOM 431 C GLY B 29 -1.039 8.355 -6.193 1.00 0.00 C ATOM 432 O GLY B 29 -0.068 8.705 -5.563 1.00 0.00 O ATOM 0 H GLY B 29 -0.649 10.137 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -1.759 10.238 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.593 8.840 -7.607 1.00 0.00 H new ATOM 436 N SER B 30 -1.659 7.238 -5.925 1.00 0.00 N ATOM 437 CA SER B 30 -1.191 6.346 -4.820 1.00 0.00 C ATOM 438 C SER B 30 0.340 6.292 -4.751 1.00 0.00 C ATOM 439 O SER B 30 0.929 6.534 -3.718 1.00 0.00 O ATOM 440 CB SER B 30 -1.737 4.936 -5.044 1.00 0.00 C ATOM 441 OG SER B 30 -3.149 4.997 -5.195 1.00 0.00 O ATOM 0 H SER B 30 -2.479 6.900 -6.429 1.00 0.00 H new ATOM 0 HA SER B 30 -1.559 6.751 -3.877 1.00 0.00 H new ATOM 0 HB2 SER B 30 -1.284 4.495 -5.932 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.477 4.295 -4.202 1.00 0.00 H new ATOM 0 HG SER B 30 -3.502 4.094 -5.341 1.00 0.00 H new ATOM 447 N ASP B 31 0.994 5.968 -5.826 1.00 0.00 N ATOM 448 CA ASP B 31 2.481 5.897 -5.784 1.00 0.00 C ATOM 449 C ASP B 31 3.059 7.305 -5.623 1.00 0.00 C ATOM 450 O ASP B 31 4.107 7.492 -5.046 1.00 0.00 O ATOM 451 CB ASP B 31 2.997 5.265 -7.082 1.00 0.00 C ATOM 452 CG ASP B 31 2.029 4.170 -7.534 1.00 0.00 C ATOM 453 OD1 ASP B 31 1.298 3.670 -6.696 1.00 0.00 O ATOM 454 OD2 ASP B 31 2.035 3.851 -8.712 1.00 0.00 O ATOM 0 H ASP B 31 0.570 5.750 -6.728 1.00 0.00 H new ATOM 0 HA ASP B 31 2.794 5.286 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP B 31 3.091 6.025 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP B 31 3.991 4.845 -6.925 1.00 0.00 H new ATOM 459 N LEU B 32 2.381 8.285 -6.144 1.00 0.00 N ATOM 460 CA LEU B 32 2.867 9.695 -6.055 1.00 0.00 C ATOM 461 C LEU B 32 2.478 10.297 -4.716 1.00 0.00 C ATOM 462 O LEU B 32 3.321 10.671 -3.932 1.00 0.00 O ATOM 463 CB LEU B 32 2.226 10.462 -7.211 1.00 0.00 C ATOM 464 CG LEU B 32 2.391 11.981 -7.067 1.00 0.00 C ATOM 465 CD1 LEU B 32 3.891 12.356 -6.937 1.00 0.00 C ATOM 466 CD2 LEU B 32 1.757 12.637 -8.316 1.00 0.00 C ATOM 0 H LEU B 32 1.495 8.171 -6.637 1.00 0.00 H new ATOM 0 HA LEU B 32 3.954 9.744 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.673 10.138 -8.151 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.165 10.218 -7.262 1.00 0.00 H new ATOM 0 HG LEU B 32 1.895 12.339 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.988 13.437 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.313 11.870 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.427 12.025 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.856 13.720 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU B 32 2.266 12.282 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.701 12.372 -8.370 1.00 0.00 H new ATOM 478 N VAL B 33 1.211 10.384 -4.446 1.00 0.00 N ATOM 479 CA VAL B 33 0.742 10.941 -3.149 1.00 0.00 C ATOM 480 C VAL B 33 1.657 10.437 -2.040 1.00 0.00 C ATOM 481 O VAL B 33 2.327 11.191 -1.366 1.00 0.00 O ATOM 482 CB VAL B 33 -0.680 10.440 -2.890 1.00 0.00 C ATOM 483 CG1 VAL B 33 -1.065 10.672 -1.417 1.00 0.00 C ATOM 484 CG2 VAL B 33 -1.639 11.179 -3.820 1.00 0.00 C ATOM 0 H VAL B 33 0.467 10.089 -5.078 1.00 0.00 H new ATOM 0 HA VAL B 33 0.756 12.031 -3.176 1.00 0.00 H new ATOM 0 HB VAL B 33 -0.737 9.370 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.079 10.311 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.373 10.132 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.016 11.737 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -2.657 10.830 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.583 12.250 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.362 10.985 -4.856 1.00 0.00 H new ATOM 494 N GLU B 34 1.708 9.152 -1.877 1.00 0.00 N ATOM 495 CA GLU B 34 2.604 8.578 -0.845 1.00 0.00 C ATOM 496 C GLU B 34 3.993 9.186 -1.041 1.00 0.00 C ATOM 497 O GLU B 34 4.662 9.560 -0.098 1.00 0.00 O ATOM 498 CB GLU B 34 2.653 7.059 -1.025 1.00 0.00 C ATOM 499 CG GLU B 34 1.422 6.412 -0.374 1.00 0.00 C ATOM 500 CD GLU B 34 0.151 7.215 -0.685 1.00 0.00 C ATOM 501 OE1 GLU B 34 -0.074 7.509 -1.845 1.00 0.00 O ATOM 502 OE2 GLU B 34 -0.573 7.521 0.248 1.00 0.00 O ATOM 0 H GLU B 34 1.168 8.473 -2.413 1.00 0.00 H new ATOM 0 HA GLU B 34 2.245 8.800 0.160 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.686 6.811 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.563 6.661 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU B 34 1.309 5.390 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.565 6.354 0.705 1.00 0.00 H new ATOM 509 N ALA B 35 4.409 9.326 -2.272 1.00 0.00 N ATOM 510 CA ALA B 35 5.730 9.956 -2.539 1.00 0.00 C ATOM 511 C ALA B 35 5.706 11.345 -1.916 1.00 0.00 C ATOM 512 O ALA B 35 6.685 11.806 -1.387 1.00 0.00 O ATOM 513 CB ALA B 35 5.986 10.060 -4.058 1.00 0.00 C ATOM 0 H ALA B 35 3.891 9.032 -3.100 1.00 0.00 H new ATOM 0 HA ALA B 35 6.530 9.353 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA B 35 6.957 10.523 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA B 35 5.976 9.063 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA B 35 5.206 10.667 -4.518 1.00 0.00 H new ATOM 519 N LEU B 36 4.590 12.020 -1.950 1.00 0.00 N ATOM 520 CA LEU B 36 4.556 13.362 -1.329 1.00 0.00 C ATOM 521 C LEU B 36 4.515 13.199 0.188 1.00 0.00 C ATOM 522 O LEU B 36 5.373 13.688 0.893 1.00 0.00 O ATOM 523 CB LEU B 36 3.337 14.118 -1.805 1.00 0.00 C ATOM 524 CG LEU B 36 3.530 14.521 -3.279 1.00 0.00 C ATOM 525 CD1 LEU B 36 2.159 14.879 -3.884 1.00 0.00 C ATOM 526 CD2 LEU B 36 4.524 15.716 -3.386 1.00 0.00 C ATOM 0 H LEU B 36 3.718 11.703 -2.374 1.00 0.00 H new ATOM 0 HA LEU B 36 5.445 13.925 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.447 13.498 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.183 15.005 -1.191 1.00 0.00 H new ATOM 0 HG LEU B 36 3.956 13.688 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.286 15.166 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.497 14.015 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.723 15.710 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.651 15.991 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.129 16.568 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.488 15.426 -2.967 1.00 0.00 H new ATOM 538 N TYR B 37 3.538 12.489 0.697 1.00 0.00 N ATOM 539 CA TYR B 37 3.462 12.264 2.171 1.00 0.00 C ATOM 540 C TYR B 37 4.850 11.868 2.667 1.00 0.00 C ATOM 541 O TYR B 37 5.252 12.176 3.770 1.00 0.00 O ATOM 542 CB TYR B 37 2.480 11.133 2.457 1.00 0.00 C ATOM 543 CG TYR B 37 2.396 10.938 3.944 1.00 0.00 C ATOM 544 CD1 TYR B 37 3.363 10.176 4.604 1.00 0.00 C ATOM 545 CD2 TYR B 37 1.358 11.531 4.662 1.00 0.00 C ATOM 546 CE1 TYR B 37 3.291 10.005 5.990 1.00 0.00 C ATOM 547 CE2 TYR B 37 1.283 11.364 6.047 1.00 0.00 C ATOM 548 CZ TYR B 37 2.249 10.599 6.713 1.00 0.00 C ATOM 549 OH TYR B 37 2.176 10.433 8.081 1.00 0.00 O ATOM 0 H TYR B 37 2.791 12.056 0.154 1.00 0.00 H new ATOM 0 HA TYR B 37 3.125 13.169 2.676 1.00 0.00 H new ATOM 0 HB2 TYR B 37 1.497 11.373 2.051 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.810 10.214 1.973 1.00 0.00 H new ATOM 0 HD1 TYR B 37 4.166 9.719 4.044 1.00 0.00 H new ATOM 0 HD2 TYR B 37 0.612 12.119 4.148 1.00 0.00 H new ATOM 0 HE1 TYR B 37 4.038 9.416 6.502 1.00 0.00 H new ATOM 0 HE2 TYR B 37 0.480 11.825 6.604 1.00 0.00 H new ATOM 0 HH TYR B 37 1.394 10.911 8.427 1.00 0.00 H new ATOM 559 N LEU B 38 5.587 11.206 1.827 1.00 0.00 N ATOM 560 CA LEU B 38 6.960 10.793 2.176 1.00 0.00 C ATOM 561 C LEU B 38 7.854 12.032 2.121 1.00 0.00 C ATOM 562 O LEU B 38 8.629 12.305 3.017 1.00 0.00 O ATOM 563 CB LEU B 38 7.405 9.768 1.125 1.00 0.00 C ATOM 564 CG LEU B 38 8.822 9.234 1.432 1.00 0.00 C ATOM 565 CD1 LEU B 38 8.956 7.800 0.905 1.00 0.00 C ATOM 566 CD2 LEU B 38 9.895 10.106 0.754 1.00 0.00 C ATOM 0 H LEU B 38 5.284 10.930 0.893 1.00 0.00 H new ATOM 0 HA LEU B 38 7.018 10.354 3.172 1.00 0.00 H new ATOM 0 HB2 LEU B 38 6.698 8.939 1.100 1.00 0.00 H new ATOM 0 HB3 LEU B 38 7.393 10.227 0.137 1.00 0.00 H new ATOM 0 HG LEU B 38 8.968 9.259 2.512 1.00 0.00 H new ATOM 0 HD11 LEU B 38 9.956 7.425 1.122 1.00 0.00 H new ATOM 0 HD12 LEU B 38 8.216 7.163 1.390 1.00 0.00 H new ATOM 0 HD13 LEU B 38 8.791 7.791 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU B 38 10.884 9.711 0.985 1.00 0.00 H new ATOM 0 HD22 LEU B 38 9.743 10.097 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU B 38 9.818 11.129 1.122 1.00 0.00 H new ATOM 578 N VAL B 39 7.739 12.778 1.060 1.00 0.00 N ATOM 579 CA VAL B 39 8.555 14.013 0.887 1.00 0.00 C ATOM 580 C VAL B 39 8.018 15.128 1.796 1.00 0.00 C ATOM 581 O VAL B 39 8.714 15.654 2.642 1.00 0.00 O ATOM 582 CB VAL B 39 8.439 14.452 -0.586 1.00 0.00 C ATOM 583 CG1 VAL B 39 8.921 15.887 -0.771 1.00 0.00 C ATOM 584 CG2 VAL B 39 9.268 13.520 -1.469 1.00 0.00 C ATOM 0 H VAL B 39 7.101 12.581 0.289 1.00 0.00 H new ATOM 0 HA VAL B 39 9.594 13.818 1.152 1.00 0.00 H new ATOM 0 HB VAL B 39 7.389 14.400 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.828 16.170 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.315 16.556 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.965 15.962 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL B 39 9.183 13.834 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.313 13.561 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL B 39 8.900 12.499 -1.367 1.00 0.00 H new ATOM 594 N CYS B 40 6.793 15.509 1.584 1.00 0.00 N ATOM 595 CA CYS B 40 6.177 16.614 2.370 1.00 0.00 C ATOM 596 C CYS B 40 5.969 16.227 3.837 1.00 0.00 C ATOM 597 O CYS B 40 6.295 16.976 4.735 1.00 0.00 O ATOM 598 CB CYS B 40 4.827 16.895 1.739 1.00 0.00 C ATOM 599 SG CYS B 40 5.064 17.063 -0.043 1.00 0.00 S ATOM 0 H CYS B 40 6.178 15.093 0.884 1.00 0.00 H new ATOM 0 HA CYS B 40 6.835 17.483 2.355 1.00 0.00 H new ATOM 0 HB2 CYS B 40 4.130 16.086 1.955 1.00 0.00 H new ATOM 0 HB3 CYS B 40 4.396 17.806 2.153 1.00 0.00 H new ATOM 604 N GLY B 41 5.426 15.074 4.090 1.00 0.00 N ATOM 605 CA GLY B 41 5.198 14.657 5.502 1.00 0.00 C ATOM 606 C GLY B 41 4.208 15.602 6.192 1.00 0.00 C ATOM 607 O GLY B 41 3.055 15.693 5.819 1.00 0.00 O ATOM 0 H GLY B 41 5.129 14.401 3.383 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.814 13.637 5.528 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.144 14.655 6.043 1.00 0.00 H new ATOM 611 N GLU B 42 4.644 16.281 7.219 1.00 0.00 N ATOM 612 CA GLU B 42 3.731 17.195 7.967 1.00 0.00 C ATOM 613 C GLU B 42 3.260 18.357 7.087 1.00 0.00 C ATOM 614 O GLU B 42 2.106 18.736 7.118 1.00 0.00 O ATOM 615 CB GLU B 42 4.470 17.752 9.187 1.00 0.00 C ATOM 616 CG GLU B 42 3.592 18.790 9.894 1.00 0.00 C ATOM 617 CD GLU B 42 4.149 19.064 11.293 1.00 0.00 C ATOM 618 OE1 GLU B 42 5.297 19.464 11.384 1.00 0.00 O ATOM 619 OE2 GLU B 42 3.416 18.868 12.249 1.00 0.00 O ATOM 0 H GLU B 42 5.599 16.242 7.574 1.00 0.00 H new ATOM 0 HA GLU B 42 2.854 16.627 8.278 1.00 0.00 H new ATOM 0 HB2 GLU B 42 4.718 16.943 9.874 1.00 0.00 H new ATOM 0 HB3 GLU B 42 5.411 18.208 8.878 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.564 19.713 9.315 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.567 18.427 9.964 1.00 0.00 H new ATOM 626 N ARG B 43 4.136 18.946 6.325 1.00 0.00 N ATOM 627 CA ARG B 43 3.714 20.100 5.481 1.00 0.00 C ATOM 628 C ARG B 43 2.439 19.758 4.708 1.00 0.00 C ATOM 629 O ARG B 43 1.764 20.634 4.211 1.00 0.00 O ATOM 630 CB ARG B 43 4.822 20.464 4.482 1.00 0.00 C ATOM 631 CG ARG B 43 6.190 20.303 5.131 1.00 0.00 C ATOM 632 CD ARG B 43 7.276 20.912 4.220 1.00 0.00 C ATOM 633 NE ARG B 43 8.050 19.807 3.586 1.00 0.00 N ATOM 634 CZ ARG B 43 8.901 20.067 2.632 1.00 0.00 C ATOM 635 NH1 ARG B 43 9.095 21.299 2.248 1.00 0.00 N ATOM 636 NH2 ARG B 43 9.557 19.094 2.061 1.00 0.00 N ATOM 0 H ARG B 43 5.118 18.683 6.249 1.00 0.00 H new ATOM 0 HA ARG B 43 3.523 20.948 6.138 1.00 0.00 H new ATOM 0 HB2 ARG B 43 4.752 19.825 3.602 1.00 0.00 H new ATOM 0 HB3 ARG B 43 4.692 21.491 4.142 1.00 0.00 H new ATOM 0 HG2 ARG B 43 6.201 20.794 6.104 1.00 0.00 H new ATOM 0 HG3 ARG B 43 6.398 19.247 5.305 1.00 0.00 H new ATOM 0 HD2 ARG B 43 6.818 21.539 3.455 1.00 0.00 H new ATOM 0 HD3 ARG B 43 7.940 21.552 4.801 1.00 0.00 H new ATOM 0 HE ARG B 43 7.914 18.846 3.899 1.00 0.00 H new ATOM 0 HH11 ARG B 43 8.581 22.059 2.694 1.00 0.00 H new ATOM 0 HH12 ARG B 43 9.760 21.502 1.502 1.00 0.00 H new ATOM 0 HH21 ARG B 43 9.404 18.131 2.361 1.00 0.00 H new ATOM 0 HH22 ARG B 43 10.223 19.296 1.315 1.00 0.00 H new ATOM 650 N GLY B 44 2.108 18.503 4.571 1.00 0.00 N ATOM 651 CA GLY B 44 0.886 18.163 3.788 1.00 0.00 C ATOM 652 C GLY B 44 1.208 18.402 2.314 1.00 0.00 C ATOM 653 O GLY B 44 2.320 18.745 1.978 1.00 0.00 O ATOM 0 H GLY B 44 2.620 17.711 4.959 1.00 0.00 H new ATOM 0 HA2 GLY B 44 0.599 17.125 3.955 1.00 0.00 H new ATOM 0 HA3 GLY B 44 0.044 18.780 4.102 1.00 0.00 H new ATOM 657 N PHE B 45 0.278 18.226 1.418 1.00 0.00 N ATOM 658 CA PHE B 45 0.631 18.452 -0.013 1.00 0.00 C ATOM 659 C PHE B 45 -0.633 18.525 -0.895 1.00 0.00 C ATOM 660 O PHE B 45 -1.724 18.233 -0.433 1.00 0.00 O ATOM 661 CB PHE B 45 1.496 17.286 -0.468 1.00 0.00 C ATOM 662 CG PHE B 45 0.850 15.986 -0.068 1.00 0.00 C ATOM 663 CD1 PHE B 45 -0.074 15.376 -0.911 1.00 0.00 C ATOM 664 CD2 PHE B 45 1.193 15.388 1.145 1.00 0.00 C ATOM 665 CE1 PHE B 45 -0.657 14.157 -0.543 1.00 0.00 C ATOM 666 CE2 PHE B 45 0.611 14.175 1.518 1.00 0.00 C ATOM 667 CZ PHE B 45 -0.312 13.557 0.674 1.00 0.00 C ATOM 0 H PHE B 45 -0.684 17.944 1.604 1.00 0.00 H new ATOM 0 HA PHE B 45 1.161 19.399 -0.110 1.00 0.00 H new ATOM 0 HB2 PHE B 45 1.628 17.319 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE B 45 2.488 17.362 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.341 15.842 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE B 45 1.910 15.864 1.797 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -1.372 13.680 -1.197 1.00 0.00 H new ATOM 0 HE2 PHE B 45 0.875 13.716 2.459 1.00 0.00 H new ATOM 0 HZ PHE B 45 -0.760 12.617 0.959 1.00 0.00 H new HETATM 677 N 23F B 46 -0.512 18.921 -2.255 1.00 0.00 N HETATM 678 CA 23F B 46 -1.638 18.989 -3.106 1.00 0.00 C HETATM 679 C 23F B 46 -2.343 17.716 -3.484 1.00 0.00 C HETATM 680 CB 23F B 46 -2.108 20.205 -3.624 1.00 0.00 C HETATM 681 CG 23F B 46 -1.471 21.565 -3.429 1.00 0.00 C HETATM 682 CD1 23F B 46 -0.199 21.818 -2.702 1.00 0.00 C HETATM 683 CD2 23F B 46 -2.145 22.711 -4.064 1.00 0.00 C HETATM 684 CE1 23F B 46 0.345 23.152 -2.643 1.00 0.00 C HETATM 685 CE2 23F B 46 -1.591 24.011 -3.989 1.00 0.00 C HETATM 686 CZ 23F B 46 -0.347 24.249 -3.285 1.00 0.00 C HETATM 687 O 23F B 46 -2.005 17.115 -4.486 1.00 0.00 O HETATM 0 HZ 23F B 46 0.068 25.256 -3.239 1.00 0.00 H new HETATM 0 HE2 23F B 46 -2.107 24.844 -4.467 1.00 0.00 H new HETATM 0 HE1 23F B 46 1.280 23.335 -2.113 1.00 0.00 H new HETATM 0 HD2 23F B 46 -3.082 22.556 -4.598 1.00 0.00 H new HETATM 0 HD1 23F B 46 0.322 20.995 -2.214 1.00 0.00 H new HETATM 0 HB 23F B 46 -3.018 20.167 -4.223 1.00 0.00 H new ATOM 695 N TYR B 47 -3.400 17.230 -2.705 1.00 0.00 N ATOM 696 CA TYR B 47 -4.133 15.968 -3.088 1.00 0.00 C ATOM 697 C TYR B 47 -5.236 15.722 -2.046 1.00 0.00 C ATOM 698 O TYR B 47 -5.017 15.081 -1.037 1.00 0.00 O ATOM 699 CB TYR B 47 -3.162 14.744 -3.138 1.00 0.00 C ATOM 700 CG TYR B 47 -3.098 14.149 -4.535 1.00 0.00 C ATOM 701 CD1 TYR B 47 -4.250 13.593 -5.104 1.00 0.00 C ATOM 702 CD2 TYR B 47 -1.885 14.128 -5.250 1.00 0.00 C ATOM 703 CE1 TYR B 47 -4.199 13.025 -6.382 1.00 0.00 C ATOM 704 CE2 TYR B 47 -1.837 13.554 -6.525 1.00 0.00 C ATOM 705 CZ TYR B 47 -2.993 13.005 -7.092 1.00 0.00 C ATOM 706 OH TYR B 47 -2.942 12.439 -8.350 1.00 0.00 O ATOM 0 H TYR B 47 -3.739 17.678 -1.853 1.00 0.00 H new ATOM 0 HA TYR B 47 -4.563 16.086 -4.082 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.165 15.055 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.494 13.984 -2.431 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.180 13.602 -4.555 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.993 14.554 -4.815 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.091 12.602 -6.821 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.906 13.534 -7.073 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.813 12.537 -8.788 1.00 0.00 H new ATOM 716 N THR B 48 -6.417 16.227 -2.282 1.00 0.00 N ATOM 717 CA THR B 48 -7.523 16.020 -1.303 1.00 0.00 C ATOM 718 C THR B 48 -8.869 16.258 -1.989 1.00 0.00 C ATOM 719 O THR B 48 -9.876 15.694 -1.610 1.00 0.00 O ATOM 720 CB THR B 48 -7.364 17.000 -0.137 1.00 0.00 C ATOM 721 OG1 THR B 48 -8.619 17.173 0.507 1.00 0.00 O ATOM 722 CG2 THR B 48 -6.867 18.348 -0.663 1.00 0.00 C ATOM 0 H THR B 48 -6.663 16.772 -3.108 1.00 0.00 H new ATOM 0 HA THR B 48 -7.485 14.998 -0.927 1.00 0.00 H new ATOM 0 HB THR B 48 -6.641 16.604 0.575 1.00 0.00 H new ATOM 0 HG1 THR B 48 -8.520 17.799 1.255 1.00 0.00 H new ATOM 0 HG21 THR B 48 -6.755 19.044 0.168 1.00 0.00 H new ATOM 0 HG22 THR B 48 -5.904 18.214 -1.156 1.00 0.00 H new ATOM 0 HG23 THR B 48 -7.588 18.748 -1.376 1.00 0.00 H new ATOM 730 N LYS B 49 -8.894 17.091 -3.000 1.00 0.00 N ATOM 731 CA LYS B 49 -10.176 17.373 -3.722 1.00 0.00 C ATOM 732 C LYS B 49 -9.906 17.456 -5.229 1.00 0.00 C ATOM 733 O LYS B 49 -9.940 18.529 -5.796 1.00 0.00 O ATOM 734 CB LYS B 49 -10.743 18.713 -3.263 1.00 0.00 C ATOM 735 CG LYS B 49 -10.750 18.791 -1.733 1.00 0.00 C ATOM 736 CD LYS B 49 -11.217 20.183 -1.289 1.00 0.00 C ATOM 737 CE LYS B 49 -12.634 20.457 -1.811 1.00 0.00 C ATOM 738 NZ LYS B 49 -13.290 21.477 -0.944 1.00 0.00 N ATOM 0 H LYS B 49 -8.080 17.590 -3.358 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.885 16.574 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -10.146 19.528 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -11.756 18.837 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.411 18.027 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -9.752 18.591 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.203 20.250 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.530 20.942 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -12.592 20.811 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -13.217 19.536 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -14.251 21.665 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -13.341 21.122 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -12.736 22.357 -0.963 1.00 0.00 H new ATOM 752 N PRO B 50 -9.634 16.330 -5.837 1.00 0.00 N ATOM 753 CA PRO B 50 -9.345 16.282 -7.274 1.00 0.00 C ATOM 754 C PRO B 50 -10.506 16.890 -8.074 1.00 0.00 C ATOM 755 O PRO B 50 -10.379 17.939 -8.673 1.00 0.00 O ATOM 756 CB PRO B 50 -9.154 14.784 -7.582 1.00 0.00 C ATOM 757 CG PRO B 50 -9.019 14.067 -6.219 1.00 0.00 C ATOM 758 CD PRO B 50 -9.582 15.027 -5.157 1.00 0.00 C ATOM 0 HA PRO B 50 -8.463 16.860 -7.550 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -10.002 14.393 -8.143 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -8.266 14.624 -8.194 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -9.569 13.126 -6.221 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -7.977 13.827 -6.010 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -10.571 14.714 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -8.943 15.064 -4.275 1.00 0.00 H new ATOM 766 N THR B 51 -11.632 16.234 -8.086 1.00 0.00 N ATOM 767 CA THR B 51 -12.799 16.768 -8.843 1.00 0.00 C ATOM 768 C THR B 51 -13.331 18.021 -8.144 1.00 0.00 C ATOM 769 O THR B 51 -12.760 18.399 -7.135 1.00 0.00 O ATOM 770 CB THR B 51 -13.903 15.709 -8.897 1.00 0.00 C ATOM 771 OG1 THR B 51 -14.280 15.355 -7.574 1.00 0.00 O ATOM 772 CG2 THR B 51 -13.389 14.470 -9.632 1.00 0.00 C ATOM 773 OXT THR B 51 -14.300 18.580 -8.630 1.00 0.00 O ATOM 0 H THR B 51 -11.795 15.350 -7.604 1.00 0.00 H new ATOM 0 HA THR B 51 -12.488 17.020 -9.857 1.00 0.00 H new ATOM 0 HB THR B 51 -14.767 16.110 -9.427 1.00 0.00 H new ATOM 0 HG1 THR B 51 -14.988 14.678 -7.606 1.00 0.00 H new ATOM 0 HG21 THR B 51 -14.176 13.717 -9.670 1.00 0.00 H new ATOM 0 HG22 THR B 51 -13.099 14.743 -10.647 1.00 0.00 H new ATOM 0 HG23 THR B 51 -12.525 14.066 -9.104 1.00 0.00 H new TER 781 THR B 51