USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 27 THR OG1 : rot 180:sc= 0.0207 USER MOD Set 1.2: B 29 LYS NZ :NH3+ 171:sc= 0.356 (180deg=0.25) USER MOD Set 2.1: B 4 GLN : amide:sc= 0.385 K(o=0.9,f=-1.5) USER MOD Set 2.2: B 10 HIS : no HE2:sc= 0.511 K(o=0.9,f=-3.9!) USER MOD Set 3.1: A 1 GLY N :NH3+ -110:sc= 0.0909 (180deg=0) USER MOD Set 3.2: A 5 GLN : amide:sc= -0.104 K(o=-0.013,f=-1.1) USER MOD Single : A 8 THR OG1 : rot -46:sc= 0.00496 USER MOD Single : A 9 SER OG : rot 180:sc= 0.128 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 18 ASN : amide:sc= 0.465 X(o=0.47,f=0) USER MOD Single : A 19 TYR OH : rot -171:sc= 0.229 USER MOD Single : A 21 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.032) USER MOD Single : B 1 PHE N :NH3+ -111:sc= 0.141 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.4!) USER MOD Single : B 5 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-7.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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 30 THR OG1 : rot 180:sc= 0.0912 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.856 -1.847 -1.449 1.00 25.00 N ATOM 2 CA GLY A 1 0.829 -0.382 -1.623 1.00 25.00 C ATOM 3 C GLY A 1 0.625 -0.008 -3.065 1.00 25.00 C ATOM 4 O GLY A 1 0.893 -0.817 -3.948 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.003 -2.153 -0.950 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.897 -2.307 -2.381 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.693 -2.115 -0.893 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.029 0.044 -1.018 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.764 0.047 -1.262 1.00 25.00 H new ATOM 10 N ILE A 2 0.122 1.194 -3.318 1.00 25.00 N ATOM 11 CA ILE A 2 -0.293 1.590 -4.667 1.00 25.00 C ATOM 12 C ILE A 2 0.837 1.517 -5.700 1.00 25.00 C ATOM 13 O ILE A 2 0.620 1.090 -6.825 1.00 25.00 O ATOM 14 CB ILE A 2 -0.952 3.007 -4.637 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.695 3.258 -5.960 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.092 4.127 -4.315 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.507 4.542 -5.989 1.00 25.00 C ATOM 0 H ILE A 2 -0.010 1.915 -2.609 1.00 25.00 H new ATOM 0 HA ILE A 2 -1.034 0.861 -4.996 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.681 3.040 -3.827 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.968 3.284 -6.772 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.361 2.417 -6.154 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.406 5.096 -4.304 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.540 3.938 -3.339 1.00 25.00 H new ATOM 0 HG23 ILE A 2 0.871 4.128 -5.077 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.998 4.640 -6.957 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.260 4.514 -5.202 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.846 5.394 -5.829 1.00 25.00 H new ATOM 29 N VAL A 3 2.054 1.867 -5.312 1.00 25.00 N ATOM 30 CA VAL A 3 3.167 1.817 -6.252 1.00 25.00 C ATOM 31 C VAL A 3 3.493 0.370 -6.617 1.00 25.00 C ATOM 32 O VAL A 3 3.731 0.075 -7.775 1.00 25.00 O ATOM 33 CB VAL A 3 4.408 2.598 -5.718 1.00 25.00 C ATOM 34 CG1 VAL A 3 4.894 2.042 -4.367 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.538 2.598 -6.759 1.00 25.00 C ATOM 0 H VAL A 3 2.295 2.183 -4.373 1.00 25.00 H new ATOM 0 HA VAL A 3 2.866 2.323 -7.169 1.00 25.00 H new ATOM 0 HB VAL A 3 4.101 3.630 -5.548 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.759 2.612 -4.029 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.095 2.125 -3.631 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.173 0.995 -4.484 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.394 3.148 -6.367 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.834 1.571 -6.975 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.189 3.075 -7.675 1.00 25.00 H new ATOM 45 N GLU A 4 3.426 -0.554 -5.668 1.00 25.00 N ATOM 46 CA GLU A 4 3.680 -1.957 -5.987 1.00 25.00 C ATOM 47 C GLU A 4 2.590 -2.453 -6.916 1.00 25.00 C ATOM 48 O GLU A 4 2.870 -3.121 -7.893 1.00 25.00 O ATOM 49 CB GLU A 4 3.695 -2.840 -4.735 1.00 25.00 C ATOM 50 CG GLU A 4 4.911 -2.636 -3.841 1.00 25.00 C ATOM 51 CD GLU A 4 4.808 -1.402 -2.987 1.00 25.00 C ATOM 52 OE1 GLU A 4 3.756 -0.880 -2.681 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.954 -0.926 -2.626 1.00 25.00 O ATOM 0 H GLU A 4 3.203 -0.367 -4.690 1.00 25.00 H new ATOM 0 HA GLU A 4 4.662 -2.020 -6.457 1.00 25.00 H new ATOM 0 HB2 GLU A 4 2.794 -2.643 -4.154 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.654 -3.885 -5.041 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.034 -3.508 -3.198 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.805 -2.569 -4.461 1.00 25.00 H new ATOM 61 N GLN A 5 1.350 -2.104 -6.609 1.00 25.00 N ATOM 62 CA GLN A 5 0.207 -2.547 -7.403 1.00 25.00 C ATOM 63 C GLN A 5 0.309 -2.078 -8.855 1.00 25.00 C ATOM 64 O GLN A 5 -0.037 -2.822 -9.764 1.00 25.00 O ATOM 65 CB GLN A 5 -1.093 -2.041 -6.764 1.00 25.00 C ATOM 66 CG GLN A 5 -1.418 -2.744 -5.436 1.00 25.00 C ATOM 67 CD GLN A 5 -2.301 -1.914 -4.522 1.00 25.00 C ATOM 68 OE1 GLN A 5 -1.912 -1.581 -3.407 1.00 25.00 O ATOM 69 NE2 GLN A 5 -3.481 -1.585 -4.976 1.00 25.00 N ATOM 0 H GLN A 5 1.106 -1.514 -5.814 1.00 25.00 H new ATOM 0 HA GLN A 5 0.205 -3.637 -7.415 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.014 -0.968 -6.592 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.918 -2.192 -7.461 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.913 -3.692 -5.646 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.488 -2.977 -4.918 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.769 -1.880 -5.909 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.114 -1.033 -4.398 1.00 25.00 H new ATOM 78 N CYS A 6 0.816 -0.874 -9.087 1.00 25.00 N ATOM 79 CA CYS A 6 0.950 -0.375 -10.455 1.00 25.00 C ATOM 80 C CYS A 6 2.221 -0.876 -11.141 1.00 25.00 C ATOM 81 O CYS A 6 2.250 -1.018 -12.358 1.00 25.00 O ATOM 82 CB CYS A 6 0.928 1.157 -10.476 1.00 25.00 C ATOM 83 SG CYS A 6 -0.553 1.915 -9.713 1.00 25.00 S ATOM 0 H CYS A 6 1.137 -0.232 -8.362 1.00 25.00 H new ATOM 0 HA CYS A 6 0.097 -0.764 -11.011 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.814 1.526 -9.960 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.999 1.493 -11.510 1.00 25.00 H new ATOM 88 N CYS A 7 3.265 -1.147 -10.372 1.00 25.00 N ATOM 89 CA CYS A 7 4.514 -1.639 -10.945 1.00 25.00 C ATOM 90 C CYS A 7 4.440 -3.129 -11.300 1.00 25.00 C ATOM 91 O CYS A 7 4.856 -3.526 -12.381 1.00 25.00 O ATOM 92 CB CYS A 7 5.682 -1.403 -9.983 1.00 25.00 C ATOM 93 SG CYS A 7 6.134 0.358 -9.813 1.00 25.00 S ATOM 0 H CYS A 7 3.275 -1.037 -9.358 1.00 25.00 H new ATOM 0 HA CYS A 7 4.679 -1.079 -11.865 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.421 -1.800 -9.002 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.550 -1.962 -10.333 1.00 25.00 H new ATOM 98 N THR A 8 3.957 -3.957 -10.380 1.00 25.00 N ATOM 99 CA THR A 8 3.925 -5.411 -10.600 1.00 25.00 C ATOM 100 C THR A 8 2.655 -5.884 -11.303 1.00 25.00 C ATOM 101 O THR A 8 2.616 -6.982 -11.858 1.00 25.00 O ATOM 102 CB THR A 8 4.129 -6.196 -9.267 1.00 25.00 C ATOM 103 OG1 THR A 8 4.594 -7.514 -9.561 1.00 25.00 O ATOM 104 CG2 THR A 8 2.843 -6.324 -8.450 1.00 25.00 C ATOM 0 H THR A 8 3.584 -3.656 -9.480 1.00 25.00 H new ATOM 0 HA THR A 8 4.759 -5.627 -11.267 1.00 25.00 H new ATOM 0 HB THR A 8 4.853 -5.632 -8.678 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.057 -7.896 -10.287 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.047 -6.879 -7.535 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.472 -5.331 -8.197 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.091 -6.854 -9.035 1.00 25.00 H new ATOM 112 N SER A 9 1.616 -5.059 -11.295 1.00 25.00 N ATOM 113 CA SER A 9 0.359 -5.399 -11.956 1.00 25.00 C ATOM 114 C SER A 9 -0.117 -4.153 -12.689 1.00 25.00 C ATOM 115 O SER A 9 0.673 -3.248 -12.899 1.00 25.00 O ATOM 116 CB SER A 9 -0.681 -5.902 -10.950 1.00 25.00 C ATOM 117 OG SER A 9 -1.771 -6.517 -11.621 1.00 25.00 O ATOM 0 H SER A 9 1.617 -4.147 -10.838 1.00 25.00 H new ATOM 0 HA SER A 9 0.507 -6.215 -12.664 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.219 -6.615 -10.267 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.042 -5.070 -10.346 1.00 25.00 H new ATOM 0 HG SER A 9 -2.424 -6.833 -10.962 1.00 25.00 H new ATOM 123 N ILE A 10 -1.339 -4.133 -13.192 1.00 25.00 N ATOM 124 CA ILE A 10 -1.807 -2.996 -13.986 1.00 25.00 C ATOM 125 C ILE A 10 -2.865 -2.223 -13.212 1.00 25.00 C ATOM 126 O ILE A 10 -3.928 -2.746 -12.887 1.00 25.00 O ATOM 127 CB ILE A 10 -2.376 -3.443 -15.371 1.00 25.00 C ATOM 128 CG1 ILE A 10 -1.274 -4.101 -16.224 1.00 25.00 C ATOM 129 CG2 ILE A 10 -2.873 -2.236 -16.160 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.428 -5.602 -16.433 1.00 25.00 C ATOM 0 H ILE A 10 -2.023 -4.879 -13.070 1.00 25.00 H new ATOM 0 HA ILE A 10 -0.949 -2.352 -14.177 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.187 -4.143 -15.172 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.252 -3.615 -17.199 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -0.310 -3.913 -15.752 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -3.266 -2.566 -17.122 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -3.662 -1.734 -15.599 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.047 -1.543 -16.324 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.605 -5.971 -17.045 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.416 -6.107 -15.467 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -2.373 -5.804 -16.937 1.00 25.00 H new ATOM 142 N CYS A 11 -2.569 -0.964 -12.931 1.00 25.00 N ATOM 143 CA CYS A 11 -3.527 -0.079 -12.286 1.00 25.00 C ATOM 144 C CYS A 11 -4.477 0.474 -13.339 1.00 25.00 C ATOM 145 O CYS A 11 -4.045 0.968 -14.379 1.00 25.00 O ATOM 146 CB CYS A 11 -2.805 1.076 -11.591 1.00 25.00 C ATOM 147 SG CYS A 11 -2.067 0.589 -10.003 1.00 25.00 S ATOM 0 H CYS A 11 -1.670 -0.530 -13.140 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.085 -0.641 -11.537 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -2.024 1.458 -12.248 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.509 1.891 -11.425 1.00 25.00 H new ATOM 152 N SER A 12 -5.767 0.411 -13.051 1.00 25.00 N ATOM 153 CA SER A 12 -6.778 0.993 -13.922 1.00 25.00 C ATOM 154 C SER A 12 -6.735 2.502 -13.725 1.00 25.00 C ATOM 155 O SER A 12 -6.124 2.983 -12.770 1.00 25.00 O ATOM 156 CB SER A 12 -8.160 0.457 -13.547 1.00 25.00 C ATOM 157 OG SER A 12 -8.463 0.772 -12.197 1.00 25.00 O ATOM 0 H SER A 12 -6.141 -0.040 -12.216 1.00 25.00 H new ATOM 0 HA SER A 12 -6.584 0.735 -14.963 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.915 0.887 -14.206 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.189 -0.623 -13.691 1.00 25.00 H new ATOM 0 HG SER A 12 -9.351 0.424 -11.971 1.00 25.00 H new ATOM 163 N LEU A 13 -7.404 3.252 -14.590 1.00 25.00 N ATOM 164 CA LEU A 13 -7.410 4.711 -14.477 1.00 25.00 C ATOM 165 C LEU A 13 -7.950 5.176 -13.120 1.00 25.00 C ATOM 166 O LEU A 13 -7.483 6.159 -12.577 1.00 25.00 O ATOM 167 CB LEU A 13 -8.207 5.338 -15.633 1.00 25.00 C ATOM 168 CG LEU A 13 -9.735 5.142 -15.652 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.445 6.372 -15.084 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.212 4.884 -17.077 1.00 25.00 C ATOM 0 H LEU A 13 -7.946 2.883 -15.371 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.377 5.052 -14.544 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.008 6.410 -15.632 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.808 4.941 -16.567 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.978 4.281 -15.029 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.523 6.213 -15.107 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.124 6.535 -14.055 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.195 7.246 -15.685 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.293 4.747 -17.079 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.953 5.735 -17.707 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.731 3.986 -17.465 1.00 25.00 H new ATOM 182 N TYR A 14 -8.884 4.429 -12.547 1.00 25.00 N ATOM 183 CA TYR A 14 -9.463 4.778 -11.254 1.00 25.00 C ATOM 184 C TYR A 14 -8.432 4.669 -10.136 1.00 25.00 C ATOM 185 O TYR A 14 -8.374 5.498 -9.243 1.00 25.00 O ATOM 186 CB TYR A 14 -10.636 3.849 -10.958 1.00 25.00 C ATOM 187 CG TYR A 14 -11.544 3.666 -12.150 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.451 4.677 -12.532 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.498 2.482 -12.914 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.296 4.507 -13.664 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.333 2.315 -14.052 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.222 3.330 -14.414 1.00 25.00 C ATOM 193 OH TYR A 14 -14.024 3.162 -15.512 1.00 25.00 O ATOM 0 H TYR A 14 -9.259 3.574 -12.958 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.805 5.812 -11.300 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.255 2.877 -10.643 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.212 4.251 -10.125 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.504 5.591 -11.958 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.819 1.691 -12.631 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.992 5.284 -13.943 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.280 1.407 -14.635 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.844 2.288 -15.918 1.00 25.00 H new ATOM 203 N GLN A 15 -7.587 3.652 -10.217 1.00 25.00 N ATOM 204 CA GLN A 15 -6.520 3.473 -9.236 1.00 25.00 C ATOM 205 C GLN A 15 -5.494 4.584 -9.420 1.00 25.00 C ATOM 206 O GLN A 15 -4.981 5.142 -8.457 1.00 25.00 O ATOM 207 CB GLN A 15 -5.847 2.108 -9.424 1.00 25.00 C ATOM 208 CG GLN A 15 -6.756 0.904 -9.138 1.00 25.00 C ATOM 209 CD GLN A 15 -6.924 0.623 -7.649 1.00 25.00 C ATOM 210 OE1 GLN A 15 -6.482 1.382 -6.804 1.00 25.00 O ATOM 211 NE2 GLN A 15 -7.543 -0.485 -7.333 1.00 25.00 N ATOM 0 H GLN A 15 -7.616 2.940 -10.947 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.939 3.515 -8.231 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.481 2.036 -10.448 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.977 2.053 -8.770 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.736 1.083 -9.581 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -6.343 0.020 -9.624 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.900 -1.097 -8.067 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -7.669 -0.737 -6.353 1.00 25.00 H new ATOM 220 N LEU A 16 -5.223 4.924 -10.672 1.00 25.00 N ATOM 221 CA LEU A 16 -4.269 5.979 -11.003 1.00 25.00 C ATOM 222 C LEU A 16 -4.722 7.351 -10.486 1.00 25.00 C ATOM 223 O LEU A 16 -3.890 8.155 -10.085 1.00 25.00 O ATOM 224 CB LEU A 16 -4.012 6.010 -12.515 1.00 25.00 C ATOM 225 CG LEU A 16 -3.212 4.808 -13.055 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.208 4.798 -14.578 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.768 4.826 -12.553 1.00 25.00 C ATOM 0 H LEU A 16 -5.654 4.481 -11.484 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.332 5.749 -10.496 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.970 6.054 -13.032 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.475 6.926 -12.760 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.703 3.907 -12.686 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.637 3.941 -14.935 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.232 4.730 -14.944 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.751 5.717 -14.947 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.233 3.965 -12.953 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.279 5.742 -12.884 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.761 4.784 -11.464 1.00 25.00 H new ATOM 239 N GLU A 17 -6.023 7.615 -10.467 1.00 25.00 N ATOM 240 CA GLU A 17 -6.548 8.889 -9.947 1.00 25.00 C ATOM 241 C GLU A 17 -6.126 9.183 -8.499 1.00 25.00 C ATOM 242 O GLU A 17 -6.090 10.333 -8.101 1.00 25.00 O ATOM 243 CB GLU A 17 -8.081 8.913 -10.020 1.00 25.00 C ATOM 244 CG GLU A 17 -8.628 9.136 -11.420 1.00 25.00 C ATOM 245 CD GLU A 17 -10.127 9.086 -11.467 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.760 8.077 -11.610 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.685 10.242 -11.360 1.00 25.00 O ATOM 0 H GLU A 17 -6.739 6.971 -10.803 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.116 9.662 -10.583 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.468 7.969 -9.636 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.454 9.701 -9.365 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.288 10.104 -11.789 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.221 8.379 -12.090 1.00 25.00 H new ATOM 255 N ASN A 18 -5.759 8.167 -7.730 1.00 25.00 N ATOM 256 CA ASN A 18 -5.294 8.380 -6.350 1.00 25.00 C ATOM 257 C ASN A 18 -3.970 9.162 -6.291 1.00 25.00 C ATOM 258 O ASN A 18 -3.675 9.814 -5.301 1.00 25.00 O ATOM 259 CB ASN A 18 -5.134 7.050 -5.619 1.00 25.00 C ATOM 260 CG ASN A 18 -6.454 6.393 -5.321 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.165 6.793 -4.421 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.781 5.376 -6.065 1.00 25.00 N ATOM 0 H ASN A 18 -5.771 7.191 -8.027 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.059 8.978 -5.855 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.526 6.378 -6.224 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.595 7.215 -4.686 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.661 4.886 -5.901 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.158 5.069 -6.812 1.00 25.00 H new ATOM 269 N TYR A 19 -3.159 9.065 -7.341 1.00 25.00 N ATOM 270 CA TYR A 19 -1.890 9.805 -7.410 1.00 25.00 C ATOM 271 C TYR A 19 -2.149 11.280 -7.753 1.00 25.00 C ATOM 272 O TYR A 19 -1.239 12.110 -7.736 1.00 25.00 O ATOM 273 CB TYR A 19 -1.011 9.239 -8.526 1.00 25.00 C ATOM 274 CG TYR A 19 -0.429 7.868 -8.281 1.00 25.00 C ATOM 275 CD1 TYR A 19 0.781 7.717 -7.578 1.00 25.00 C ATOM 276 CD2 TYR A 19 -1.059 6.714 -8.788 1.00 25.00 C ATOM 277 CE1 TYR A 19 1.356 6.434 -7.392 1.00 25.00 C ATOM 278 CE2 TYR A 19 -0.486 5.435 -8.606 1.00 25.00 C ATOM 279 CZ TYR A 19 0.719 5.307 -7.915 1.00 25.00 C ATOM 280 OH TYR A 19 1.282 4.070 -7.751 1.00 25.00 O ATOM 0 H TYR A 19 -3.352 8.484 -8.157 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.401 9.712 -6.440 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.600 9.203 -9.442 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.190 9.934 -8.702 1.00 25.00 H new ATOM 0 HD1 TYR A 19 1.277 8.588 -7.176 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -1.992 6.808 -9.323 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.283 6.329 -6.848 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -0.980 4.559 -9.001 1.00 25.00 H new ATOM 0 HH TYR A 19 0.794 3.414 -8.291 1.00 25.00 H new ATOM 290 N CYS A 20 -3.376 11.578 -8.151 1.00 25.00 N ATOM 291 CA CYS A 20 -3.730 12.902 -8.637 1.00 25.00 C ATOM 292 C CYS A 20 -4.190 13.790 -7.478 1.00 25.00 C ATOM 293 O CYS A 20 -5.314 13.679 -7.000 1.00 25.00 O ATOM 294 CB CYS A 20 -4.841 12.769 -9.683 1.00 25.00 C ATOM 295 SG CYS A 20 -4.706 13.955 -11.049 1.00 25.00 S ATOM 0 H CYS A 20 -4.150 10.914 -8.146 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.856 13.368 -9.093 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -4.826 11.758 -10.089 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.806 12.901 -9.193 1.00 25.00 H new ATOM 300 N ASN A 21 -3.286 14.673 -7.025 1.00 25.00 N ATOM 301 CA ASN A 21 -3.515 15.591 -5.890 1.00 25.00 C ATOM 302 C ASN A 21 -3.904 14.833 -4.607 1.00 25.00 C ATOM 303 O ASN A 21 -4.978 14.870 -4.044 1.00 25.00 O ATOM 304 CB ASN A 21 -4.523 16.692 -6.275 1.00 25.00 C ATOM 305 CG ASN A 21 -4.717 17.651 -5.135 1.00 25.00 C ATOM 306 OD1 ASN A 21 -3.806 18.230 -4.598 1.00 25.00 O ATOM 307 ND2 ASN A 21 -5.965 17.849 -4.741 1.00 25.00 N ATOM 308 OXT ASN A 21 -2.941 14.110 -4.141 1.00 25.00 O ATOM 0 H ASN A 21 -2.360 14.773 -7.441 1.00 25.00 H new ATOM 0 HA ASN A 21 -2.574 16.091 -5.659 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -4.165 17.230 -7.153 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -5.478 16.241 -6.545 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -6.162 18.496 -3.977 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -6.730 17.355 -5.201 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -7.824 3.069 -22.964 1.00 25.00 N ATOM 318 CA PHE B 1 -6.646 2.699 -22.131 1.00 25.00 C ATOM 319 C PHE B 1 -6.006 1.442 -22.684 1.00 25.00 C ATOM 320 O PHE B 1 -6.667 0.705 -23.394 1.00 25.00 O ATOM 321 CB PHE B 1 -7.097 2.474 -20.679 1.00 25.00 C ATOM 322 CG PHE B 1 -5.974 2.541 -19.672 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.498 3.788 -19.217 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.399 1.361 -19.155 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.452 3.861 -18.262 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.354 1.424 -18.199 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.881 2.676 -17.754 1.00 25.00 C ATOM 0 H1 PHE B 1 -7.618 3.944 -23.488 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.028 2.303 -23.637 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.650 3.220 -22.350 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.913 3.505 -22.154 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.847 3.222 -20.422 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.580 1.500 -20.606 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.935 4.698 -19.600 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.759 0.400 -19.491 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.094 4.822 -17.925 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.920 0.514 -17.812 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.084 2.727 -17.027 1.00 25.00 H new ATOM 339 N VAL B 2 -4.738 1.199 -22.381 1.00 25.00 N ATOM 340 CA VAL B 2 -4.047 -0.004 -22.844 1.00 25.00 C ATOM 341 C VAL B 2 -3.329 -0.559 -21.621 1.00 25.00 C ATOM 342 O VAL B 2 -2.725 0.193 -20.859 1.00 25.00 O ATOM 343 CB VAL B 2 -3.057 0.311 -24.029 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.115 1.491 -23.697 1.00 25.00 C ATOM 345 CG2 VAL B 2 -2.241 -0.932 -24.412 1.00 25.00 C ATOM 0 H VAL B 2 -4.162 1.821 -21.814 1.00 25.00 H new ATOM 0 HA VAL B 2 -4.744 -0.735 -23.253 1.00 25.00 H new ATOM 0 HB VAL B 2 -3.667 0.604 -24.883 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.450 1.674 -24.541 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.707 2.385 -23.501 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -1.523 1.247 -22.815 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -1.566 -0.686 -25.232 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -1.660 -1.265 -23.552 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -2.916 -1.729 -24.724 1.00 25.00 H new ATOM 355 N ASN B 3 -3.457 -1.855 -21.380 1.00 25.00 N ATOM 356 CA ASN B 3 -2.860 -2.437 -20.188 1.00 25.00 C ATOM 357 C ASN B 3 -1.391 -2.680 -20.388 1.00 25.00 C ATOM 358 O ASN B 3 -0.978 -3.363 -21.317 1.00 25.00 O ATOM 359 CB ASN B 3 -3.501 -3.768 -19.811 1.00 25.00 C ATOM 360 CG ASN B 3 -4.914 -3.611 -19.310 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.298 -2.552 -18.836 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.695 -4.649 -19.418 1.00 25.00 N ATOM 0 H ASN B 3 -3.957 -2.511 -21.979 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.027 -1.717 -19.387 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.499 -4.427 -20.679 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -2.899 -4.252 -19.042 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -6.663 -4.594 -19.101 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -5.338 -5.516 -19.819 1.00 25.00 H new ATOM 369 N GLN B 4 -0.615 -2.159 -19.463 1.00 25.00 N ATOM 370 CA GLN B 4 0.807 -2.395 -19.406 1.00 25.00 C ATOM 371 C GLN B 4 1.151 -2.048 -17.977 1.00 25.00 C ATOM 372 O GLN B 4 0.469 -1.242 -17.355 1.00 25.00 O ATOM 373 CB GLN B 4 1.569 -1.502 -20.395 1.00 25.00 C ATOM 374 CG GLN B 4 1.121 -0.048 -20.385 1.00 25.00 C ATOM 375 CD GLN B 4 1.918 0.805 -21.335 1.00 25.00 C ATOM 376 OE1 GLN B 4 3.016 1.237 -21.020 1.00 25.00 O ATOM 377 NE2 GLN B 4 1.378 1.052 -22.498 1.00 25.00 N ATOM 0 H GLN B 4 -0.961 -1.552 -18.720 1.00 25.00 H new ATOM 0 HA GLN B 4 1.080 -3.414 -19.680 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.633 -1.546 -20.163 1.00 25.00 H new ATOM 0 HB3 GLN B 4 1.445 -1.903 -21.401 1.00 25.00 H new ATOM 0 HG2 GLN B 4 0.065 0.006 -20.651 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.216 0.352 -19.375 1.00 25.00 H new ATOM 0 HE21 GLN B 4 0.458 0.673 -22.724 1.00 25.00 H new ATOM 0 HE22 GLN B 4 1.876 1.624 -23.180 1.00 25.00 H new ATOM 386 N HIS B 5 2.168 -2.687 -17.442 1.00 25.00 N ATOM 387 CA HIS B 5 2.618 -2.387 -16.082 1.00 25.00 C ATOM 388 C HIS B 5 3.229 -0.985 -16.049 1.00 25.00 C ATOM 389 O HIS B 5 3.899 -0.571 -16.995 1.00 25.00 O ATOM 390 CB HIS B 5 3.601 -3.457 -15.612 1.00 25.00 C ATOM 391 CG HIS B 5 2.967 -4.807 -15.503 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.781 -5.018 -14.831 1.00 25.00 N ATOM 393 CD2 HIS B 5 3.299 -6.025 -15.993 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.429 -6.288 -14.956 1.00 25.00 C ATOM 395 NE2 HIS B 5 2.339 -6.915 -15.635 1.00 25.00 N ATOM 0 H HIS B 5 2.702 -3.415 -17.917 1.00 25.00 H new ATOM 0 HA HIS B 5 1.773 -2.399 -15.393 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.439 -3.507 -16.308 1.00 25.00 H new ATOM 0 HB3 HIS B 5 4.009 -3.171 -14.642 1.00 25.00 H new ATOM 0 HD2 HIS B 5 4.182 -6.251 -16.573 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.529 -6.731 -14.557 1.00 25.00 H new ATOM 0 HE2 HIS B 5 2.334 -7.909 -15.862 1.00 25.00 H new ATOM 404 N LEU B 6 2.928 -0.241 -14.993 1.00 25.00 N ATOM 405 CA LEU B 6 3.309 1.167 -14.893 1.00 25.00 C ATOM 406 C LEU B 6 4.241 1.408 -13.718 1.00 25.00 C ATOM 407 O LEU B 6 3.816 1.466 -12.569 1.00 25.00 O ATOM 408 CB LEU B 6 2.064 2.039 -14.690 1.00 25.00 C ATOM 409 CG LEU B 6 1.112 2.380 -15.852 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.700 2.168 -17.259 1.00 25.00 C ATOM 411 CD2 LEU B 6 -0.188 1.595 -15.699 1.00 25.00 C ATOM 0 H LEU B 6 2.415 -0.592 -14.184 1.00 25.00 H new ATOM 0 HA LEU B 6 3.818 1.428 -15.821 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.462 1.554 -13.921 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.407 2.987 -14.276 1.00 25.00 H new ATOM 0 HG LEU B 6 0.930 3.452 -15.779 1.00 25.00 H new ATOM 0 HD11 LEU B 6 0.955 2.435 -18.009 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.582 2.797 -17.383 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.980 1.122 -17.382 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -0.859 1.839 -16.523 1.00 25.00 H new ATOM 0 HD22 LEU B 6 0.028 0.527 -15.711 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.663 1.858 -14.754 1.00 25.00 H new ATOM 423 N CYS B 7 5.509 1.608 -14.023 1.00 25.00 N ATOM 424 CA CYS B 7 6.507 1.890 -13.000 1.00 25.00 C ATOM 425 C CYS B 7 7.477 2.914 -13.567 1.00 25.00 C ATOM 426 O CYS B 7 7.642 2.997 -14.786 1.00 25.00 O ATOM 427 CB CYS B 7 7.244 0.601 -12.631 1.00 25.00 C ATOM 428 SG CYS B 7 7.834 0.555 -10.908 1.00 25.00 S ATOM 0 H CYS B 7 5.877 1.581 -14.974 1.00 25.00 H new ATOM 0 HA CYS B 7 6.037 2.282 -12.098 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.580 -0.247 -12.800 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.096 0.477 -13.300 1.00 25.00 H new ATOM 433 N GLY B 8 8.106 3.700 -12.707 1.00 25.00 N ATOM 434 CA GLY B 8 9.050 4.702 -13.177 1.00 25.00 C ATOM 435 C GLY B 8 8.391 5.701 -14.111 1.00 25.00 C ATOM 436 O GLY B 8 7.278 6.162 -13.861 1.00 25.00 O ATOM 0 H GLY B 8 7.983 3.665 -11.695 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.476 5.229 -12.323 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.875 4.211 -13.693 1.00 25.00 H new ATOM 440 N SER B 9 9.054 5.997 -15.220 1.00 25.00 N ATOM 441 CA SER B 9 8.530 6.936 -16.212 1.00 25.00 C ATOM 442 C SER B 9 7.197 6.486 -16.804 1.00 25.00 C ATOM 443 O SER B 9 6.369 7.312 -17.152 1.00 25.00 O ATOM 444 CB SER B 9 9.544 7.093 -17.342 1.00 25.00 C ATOM 445 OG SER B 9 9.915 5.819 -17.849 1.00 25.00 O ATOM 0 H SER B 9 9.962 5.599 -15.460 1.00 25.00 H new ATOM 0 HA SER B 9 8.360 7.883 -15.701 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.118 7.700 -18.141 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.427 7.619 -16.978 1.00 25.00 H new ATOM 0 HG SER B 9 10.564 5.932 -18.574 1.00 25.00 H new ATOM 451 N HIS B 10 6.962 5.184 -16.892 1.00 25.00 N ATOM 452 CA HIS B 10 5.699 4.688 -17.442 1.00 25.00 C ATOM 453 C HIS B 10 4.514 5.065 -16.565 1.00 25.00 C ATOM 454 O HIS B 10 3.425 5.308 -17.065 1.00 25.00 O ATOM 455 CB HIS B 10 5.746 3.172 -17.625 1.00 25.00 C ATOM 456 CG HIS B 10 6.247 2.754 -18.969 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.434 2.172 -19.940 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.476 2.832 -19.548 1.00 25.00 C ATOM 459 CE1 HIS B 10 6.160 1.927 -21.017 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.390 2.313 -20.804 1.00 25.00 N ATOM 0 H HIS B 10 7.615 4.459 -16.596 1.00 25.00 H new ATOM 0 HA HIS B 10 5.565 5.162 -18.414 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.386 2.740 -16.856 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.747 2.764 -17.474 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.440 1.968 -19.836 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.367 3.236 -19.090 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.794 1.479 -21.929 1.00 25.00 H new ATOM 469 N LEU B 11 4.730 5.142 -15.261 1.00 25.00 N ATOM 470 CA LEU B 11 3.665 5.539 -14.346 1.00 25.00 C ATOM 471 C LEU B 11 3.330 7.007 -14.571 1.00 25.00 C ATOM 472 O LEU B 11 2.170 7.381 -14.647 1.00 25.00 O ATOM 473 CB LEU B 11 4.100 5.288 -12.896 1.00 25.00 C ATOM 474 CG LEU B 11 3.076 5.572 -11.782 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.769 4.820 -11.977 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.695 5.166 -10.451 1.00 25.00 C ATOM 0 H LEU B 11 5.623 4.938 -14.813 1.00 25.00 H new ATOM 0 HA LEU B 11 2.772 4.944 -14.537 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.405 4.245 -12.813 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.984 5.895 -12.701 1.00 25.00 H new ATOM 0 HG LEU B 11 2.838 6.635 -11.807 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.086 5.059 -11.162 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.319 5.113 -12.925 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.964 3.748 -11.984 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.986 5.359 -9.646 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.940 4.104 -10.472 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.603 5.744 -10.281 1.00 25.00 H new ATOM 488 N VAL B 12 4.361 7.819 -14.746 1.00 25.00 N ATOM 489 CA VAL B 12 4.190 9.249 -15.005 1.00 25.00 C ATOM 490 C VAL B 12 3.463 9.469 -16.338 1.00 25.00 C ATOM 491 O VAL B 12 2.555 10.288 -16.436 1.00 25.00 O ATOM 492 CB VAL B 12 5.586 9.948 -15.037 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.462 11.433 -15.337 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.308 9.746 -13.692 1.00 25.00 C ATOM 0 H VAL B 12 5.334 7.514 -14.714 1.00 25.00 H new ATOM 0 HA VAL B 12 3.588 9.682 -14.206 1.00 25.00 H new ATOM 0 HB VAL B 12 6.168 9.491 -15.837 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.454 11.885 -15.351 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.987 11.570 -16.309 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.856 11.910 -14.567 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.281 10.237 -13.724 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.710 10.178 -12.890 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.445 8.680 -13.509 1.00 25.00 H new ATOM 504 N GLU B 13 3.839 8.705 -17.352 1.00 25.00 N ATOM 505 CA GLU B 13 3.235 8.821 -18.679 1.00 25.00 C ATOM 506 C GLU B 13 1.751 8.471 -18.638 1.00 25.00 C ATOM 507 O GLU B 13 0.940 9.067 -19.338 1.00 25.00 O ATOM 508 CB GLU B 13 3.952 7.877 -19.649 1.00 25.00 C ATOM 509 CG GLU B 13 5.351 8.357 -20.044 1.00 25.00 C ATOM 510 CD GLU B 13 6.196 7.261 -20.638 1.00 25.00 C ATOM 511 OE1 GLU B 13 5.852 6.111 -20.733 1.00 25.00 O ATOM 512 OE2 GLU B 13 7.356 7.662 -21.015 1.00 25.00 O ATOM 0 H GLU B 13 4.565 7.992 -17.284 1.00 25.00 H new ATOM 0 HA GLU B 13 3.337 9.853 -19.015 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.030 6.890 -19.193 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.347 7.765 -20.549 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.262 9.171 -20.763 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.853 8.762 -19.165 1.00 25.00 H new ATOM 520 N ALA B 14 1.395 7.513 -17.797 1.00 25.00 N ATOM 521 CA ALA B 14 0.005 7.105 -17.667 1.00 25.00 C ATOM 522 C ALA B 14 -0.785 8.171 -16.914 1.00 25.00 C ATOM 523 O ALA B 14 -1.929 8.465 -17.251 1.00 25.00 O ATOM 524 CB ALA B 14 -0.067 5.779 -16.938 1.00 25.00 C ATOM 0 H ALA B 14 2.045 7.006 -17.197 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.432 6.989 -18.659 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.109 5.473 -16.841 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.482 5.024 -17.501 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.374 5.884 -15.947 1.00 25.00 H new ATOM 530 N LEU B 15 -0.169 8.749 -15.894 1.00 25.00 N ATOM 531 CA LEU B 15 -0.827 9.765 -15.082 1.00 25.00 C ATOM 532 C LEU B 15 -1.135 11.024 -15.873 1.00 25.00 C ATOM 533 O LEU B 15 -2.155 11.656 -15.633 1.00 25.00 O ATOM 534 CB LEU B 15 0.034 10.111 -13.864 1.00 25.00 C ATOM 535 CG LEU B 15 0.012 9.072 -12.732 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.063 9.403 -11.675 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.363 9.014 -12.099 1.00 25.00 C ATOM 0 H LEU B 15 0.786 8.533 -15.608 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.777 9.345 -14.751 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.064 10.244 -14.193 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.299 11.068 -13.464 1.00 25.00 H new ATOM 0 HG LEU B 15 0.246 8.097 -13.158 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.030 8.655 -10.883 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.052 9.404 -12.133 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.858 10.387 -11.254 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.364 8.274 -11.299 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.617 9.992 -11.689 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.099 8.734 -12.853 1.00 25.00 H new ATOM 549 N TYR B 16 -0.316 11.345 -16.866 1.00 25.00 N ATOM 550 CA TYR B 16 -0.606 12.485 -17.743 1.00 25.00 C ATOM 551 C TYR B 16 -1.960 12.319 -18.417 1.00 25.00 C ATOM 552 O TYR B 16 -2.713 13.272 -18.546 1.00 25.00 O ATOM 553 CB TYR B 16 0.466 12.637 -18.825 1.00 25.00 C ATOM 554 CG TYR B 16 1.623 13.517 -18.415 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.445 14.909 -18.261 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.905 12.978 -18.189 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.527 15.745 -17.879 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.994 13.815 -17.817 1.00 25.00 C ATOM 559 CZ TYR B 16 3.788 15.189 -17.659 1.00 25.00 C ATOM 560 OH TYR B 16 4.828 16.000 -17.290 1.00 25.00 O ATOM 0 H TYR B 16 0.544 10.844 -17.087 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.615 13.377 -17.117 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.847 11.650 -19.087 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.007 13.051 -19.723 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.472 15.344 -18.436 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.063 11.915 -18.300 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.375 16.807 -17.759 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.975 13.391 -17.658 1.00 25.00 H new ATOM 0 HH TYR B 16 5.638 15.461 -17.174 1.00 25.00 H new ATOM 570 N LEU B 17 -2.282 11.104 -18.832 1.00 25.00 N ATOM 571 CA LEU B 17 -3.563 10.853 -19.488 1.00 25.00 C ATOM 572 C LEU B 17 -4.734 10.916 -18.516 1.00 25.00 C ATOM 573 O LEU B 17 -5.800 11.415 -18.846 1.00 25.00 O ATOM 574 CB LEU B 17 -3.566 9.467 -20.127 1.00 25.00 C ATOM 575 CG LEU B 17 -2.499 9.180 -21.196 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.541 7.694 -21.558 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.713 10.030 -22.450 1.00 25.00 C ATOM 0 H LEU B 17 -1.685 10.283 -18.730 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.682 11.634 -20.239 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.454 8.729 -19.332 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.546 9.305 -20.577 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.523 9.440 -20.787 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.787 7.483 -22.316 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.339 7.097 -20.669 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.527 7.442 -21.948 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.940 9.799 -23.182 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.692 9.811 -22.875 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.660 11.086 -22.187 1.00 25.00 H new ATOM 589 N VAL B 18 -4.546 10.346 -17.335 1.00 25.00 N ATOM 590 CA VAL B 18 -5.633 10.224 -16.359 1.00 25.00 C ATOM 591 C VAL B 18 -5.944 11.568 -15.707 1.00 25.00 C ATOM 592 O VAL B 18 -7.108 11.933 -15.522 1.00 25.00 O ATOM 593 CB VAL B 18 -5.261 9.173 -15.272 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.353 9.060 -14.210 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.047 7.803 -15.927 1.00 25.00 C ATOM 0 H VAL B 18 -3.655 9.959 -17.024 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.526 9.891 -16.888 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.342 9.503 -14.787 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.062 8.318 -13.466 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.490 10.026 -13.724 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.288 8.755 -14.680 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.787 7.071 -15.163 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.963 7.493 -16.430 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.239 7.870 -16.655 1.00 25.00 H new ATOM 605 N CYS B 19 -4.909 12.313 -15.370 1.00 25.00 N ATOM 606 CA CYS B 19 -5.090 13.617 -14.754 1.00 25.00 C ATOM 607 C CYS B 19 -5.363 14.686 -15.800 1.00 25.00 C ATOM 608 O CYS B 19 -5.952 15.732 -15.494 1.00 25.00 O ATOM 609 CB CYS B 19 -3.854 13.980 -13.941 1.00 25.00 C ATOM 610 SG CYS B 19 -3.684 12.925 -12.471 1.00 25.00 S ATOM 0 H CYS B 19 -3.936 12.041 -15.511 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.955 13.566 -14.093 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -2.966 13.881 -14.565 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.913 15.024 -13.635 1.00 25.00 H new ATOM 615 N GLY B 20 -4.965 14.432 -17.038 1.00 25.00 N ATOM 616 CA GLY B 20 -5.161 15.418 -18.082 1.00 25.00 C ATOM 617 C GLY B 20 -4.457 16.718 -17.741 1.00 25.00 C ATOM 618 O GLY B 20 -3.365 16.738 -17.175 1.00 25.00 O ATOM 0 H GLY B 20 -4.513 13.568 -17.337 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.781 15.032 -19.028 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.227 15.602 -18.218 1.00 25.00 H new ATOM 622 N GLU B 21 -5.110 17.821 -18.069 1.00 25.00 N ATOM 623 CA GLU B 21 -4.549 19.155 -17.863 1.00 25.00 C ATOM 624 C GLU B 21 -4.415 19.597 -16.399 1.00 25.00 C ATOM 625 O GLU B 21 -3.782 20.609 -16.131 1.00 25.00 O ATOM 626 CB GLU B 21 -5.423 20.181 -18.597 1.00 25.00 C ATOM 627 CG GLU B 21 -5.463 19.986 -20.116 1.00 25.00 C ATOM 628 CD GLU B 21 -6.334 21.000 -20.803 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.002 21.808 -20.228 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.312 20.912 -22.085 1.00 25.00 O ATOM 0 H GLU B 21 -6.041 17.822 -18.485 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.533 19.104 -18.255 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.439 20.125 -18.206 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.052 21.182 -18.378 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.451 20.052 -20.514 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.830 18.985 -20.341 1.00 25.00 H new ATOM 638 N ARG B 22 -5.019 18.881 -15.451 1.00 25.00 N ATOM 639 CA ARG B 22 -4.985 19.329 -14.052 1.00 25.00 C ATOM 640 C ARG B 22 -3.625 19.108 -13.382 1.00 25.00 C ATOM 641 O ARG B 22 -3.338 19.695 -12.343 1.00 25.00 O ATOM 642 CB ARG B 22 -6.114 18.669 -13.249 1.00 25.00 C ATOM 643 CG ARG B 22 -5.708 17.437 -12.457 1.00 25.00 C ATOM 644 CD ARG B 22 -6.922 16.677 -11.996 1.00 25.00 C ATOM 645 NE ARG B 22 -7.444 15.835 -13.077 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.386 14.908 -12.950 1.00 25.00 C ATOM 647 NH1 ARG B 22 -8.973 14.660 -11.804 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.734 14.213 -13.993 1.00 25.00 N ATOM 0 H ARG B 22 -5.526 18.011 -15.615 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.143 20.407 -14.062 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.527 19.405 -12.559 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.914 18.393 -13.936 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -5.082 16.792 -13.074 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -5.110 17.733 -11.596 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.665 16.058 -11.137 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.692 17.375 -11.667 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.049 15.973 -14.007 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.710 15.187 -10.972 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.693 13.940 -11.745 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.285 14.384 -14.893 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.456 13.497 -13.911 1.00 25.00 H new ATOM 662 N GLY B 23 -2.789 18.273 -13.986 1.00 25.00 N ATOM 663 CA GLY B 23 -1.477 17.987 -13.428 1.00 25.00 C ATOM 664 C GLY B 23 -1.520 16.965 -12.301 1.00 25.00 C ATOM 665 O GLY B 23 -2.588 16.519 -11.894 1.00 25.00 O ATOM 0 H GLY B 23 -2.996 17.785 -14.858 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.824 17.620 -14.220 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.037 18.912 -13.056 1.00 25.00 H new ATOM 669 N PHE B 24 -0.344 16.565 -11.835 1.00 25.00 N ATOM 670 CA PHE B 24 -0.194 15.554 -10.785 1.00 25.00 C ATOM 671 C PHE B 24 1.254 15.632 -10.333 1.00 25.00 C ATOM 672 O PHE B 24 2.027 16.405 -10.891 1.00 25.00 O ATOM 673 CB PHE B 24 -0.480 14.150 -11.333 1.00 25.00 C ATOM 674 CG PHE B 24 0.443 13.735 -12.438 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.192 14.134 -13.760 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.579 12.953 -12.165 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.064 13.769 -14.800 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.455 12.570 -13.200 1.00 25.00 C ATOM 679 CZ PHE B 24 2.198 12.985 -14.525 1.00 25.00 C ATOM 0 H PHE B 24 0.544 16.934 -12.176 1.00 25.00 H new ATOM 0 HA PHE B 24 -0.893 15.737 -9.969 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.404 13.429 -10.519 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.507 14.114 -11.696 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.682 14.729 -13.981 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.782 12.642 -11.151 1.00 25.00 H new ATOM 0 HE1 PHE B 24 0.863 14.091 -15.811 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.320 11.961 -12.981 1.00 25.00 H new ATOM 0 HZ PHE B 24 2.869 12.702 -15.323 1.00 25.00 H new ATOM 689 N PHE B 25 1.637 14.790 -9.383 1.00 25.00 N ATOM 690 CA PHE B 25 3.025 14.699 -8.952 1.00 25.00 C ATOM 691 C PHE B 25 3.379 13.226 -8.792 1.00 25.00 C ATOM 692 O PHE B 25 2.497 12.373 -8.724 1.00 25.00 O ATOM 693 CB PHE B 25 3.228 15.446 -7.626 1.00 25.00 C ATOM 694 CG PHE B 25 2.473 14.843 -6.469 1.00 25.00 C ATOM 695 CD1 PHE B 25 1.139 15.216 -6.212 1.00 25.00 C ATOM 696 CD2 PHE B 25 3.092 13.897 -5.628 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.421 14.644 -5.133 1.00 25.00 C ATOM 698 CE2 PHE B 25 2.385 13.318 -4.545 1.00 25.00 C ATOM 699 CZ PHE B 25 1.045 13.689 -4.303 1.00 25.00 C ATOM 0 H PHE B 25 1.003 14.158 -8.894 1.00 25.00 H new ATOM 0 HA PHE B 25 3.675 15.161 -9.695 1.00 25.00 H new ATOM 0 HB2 PHE B 25 4.291 15.460 -7.386 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.915 16.483 -7.752 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.658 15.947 -6.845 1.00 25.00 H new ATOM 0 HD2 PHE B 25 4.117 13.610 -5.811 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -0.601 14.938 -4.946 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.870 12.595 -3.906 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.499 13.243 -3.485 1.00 25.00 H new ATOM 709 N TYR B 26 4.666 12.931 -8.719 1.00 25.00 N ATOM 710 CA TYR B 26 5.141 11.571 -8.495 1.00 25.00 C ATOM 711 C TYR B 26 6.399 11.677 -7.655 1.00 25.00 C ATOM 712 O TYR B 26 7.176 12.609 -7.827 1.00 25.00 O ATOM 713 CB TYR B 26 5.456 10.872 -9.822 1.00 25.00 C ATOM 714 CG TYR B 26 6.142 9.541 -9.611 1.00 25.00 C ATOM 715 CD1 TYR B 26 5.455 8.463 -9.015 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.495 9.360 -9.965 1.00 25.00 C ATOM 717 CE1 TYR B 26 6.111 7.229 -8.769 1.00 25.00 C ATOM 718 CE2 TYR B 26 8.151 8.122 -9.729 1.00 25.00 C ATOM 719 CZ TYR B 26 7.451 7.072 -9.128 1.00 25.00 C ATOM 720 OH TYR B 26 8.084 5.879 -8.882 1.00 25.00 O ATOM 0 H TYR B 26 5.410 13.622 -8.813 1.00 25.00 H new ATOM 0 HA TYR B 26 4.375 10.981 -7.992 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.532 10.719 -10.380 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.092 11.516 -10.429 1.00 25.00 H new ATOM 0 HD1 TYR B 26 4.416 8.578 -8.742 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.040 10.173 -10.422 1.00 25.00 H new ATOM 0 HE1 TYR B 26 5.575 6.414 -8.305 1.00 25.00 H new ATOM 0 HE2 TYR B 26 9.185 7.993 -10.012 1.00 25.00 H new ATOM 0 HH TYR B 26 9.012 5.931 -9.192 1.00 25.00 H new ATOM 730 N THR B 27 6.597 10.735 -6.746 1.00 25.00 N ATOM 731 CA THR B 27 7.775 10.729 -5.888 1.00 25.00 C ATOM 732 C THR B 27 8.846 9.773 -6.432 1.00 25.00 C ATOM 733 O THR B 27 8.693 8.542 -6.351 1.00 25.00 O ATOM 734 CB THR B 27 7.392 10.305 -4.451 1.00 25.00 C ATOM 735 OG1 THR B 27 6.497 9.186 -4.499 1.00 25.00 O ATOM 736 CG2 THR B 27 6.665 11.433 -3.737 1.00 25.00 C ATOM 0 H THR B 27 5.954 9.960 -6.582 1.00 25.00 H new ATOM 0 HA THR B 27 8.181 11.740 -5.872 1.00 25.00 H new ATOM 0 HB THR B 27 8.310 10.052 -3.921 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.258 8.919 -3.587 1.00 25.00 H new ATOM 0 HG21 THR B 27 6.404 11.116 -2.727 1.00 25.00 H new ATOM 0 HG22 THR B 27 7.312 12.308 -3.686 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.757 11.685 -4.285 1.00 25.00 H new ATOM 744 N PRO B 28 9.945 10.314 -6.998 1.00 25.00 N ATOM 745 CA PRO B 28 10.998 9.394 -7.440 1.00 25.00 C ATOM 746 C PRO B 28 11.699 8.772 -6.239 1.00 25.00 C ATOM 747 O PRO B 28 11.630 9.298 -5.130 1.00 25.00 O ATOM 748 CB PRO B 28 11.937 10.303 -8.233 1.00 25.00 C ATOM 749 CG PRO B 28 11.797 11.620 -7.577 1.00 25.00 C ATOM 750 CD PRO B 28 10.333 11.720 -7.233 1.00 25.00 C ATOM 0 HA PRO B 28 10.630 8.554 -8.029 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.966 9.945 -8.195 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.655 10.349 -9.285 1.00 25.00 H new ATOM 0 HG2 PRO B 28 12.419 11.686 -6.685 1.00 25.00 H new ATOM 0 HG3 PRO B 28 12.104 12.428 -8.241 1.00 25.00 H new ATOM 0 HD2 PRO B 28 10.168 12.336 -6.349 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.758 12.166 -8.045 1.00 25.00 H new ATOM 758 N LYS B 29 12.331 7.624 -6.442 1.00 25.00 N ATOM 759 CA LYS B 29 12.963 6.883 -5.345 1.00 25.00 C ATOM 760 C LYS B 29 14.332 6.399 -5.787 1.00 25.00 C ATOM 761 O LYS B 29 14.454 5.440 -6.536 1.00 25.00 O ATOM 762 CB LYS B 29 12.071 5.702 -4.937 1.00 25.00 C ATOM 763 CG LYS B 29 10.713 6.161 -4.406 1.00 25.00 C ATOM 764 CD LYS B 29 9.772 5.012 -4.111 1.00 25.00 C ATOM 765 CE LYS B 29 8.417 5.555 -3.642 1.00 25.00 C ATOM 766 NZ LYS B 29 7.731 6.375 -4.712 1.00 25.00 N ATOM 0 H LYS B 29 12.423 7.180 -7.356 1.00 25.00 H new ATOM 0 HA LYS B 29 13.086 7.535 -4.480 1.00 25.00 H new ATOM 0 HB2 LYS B 29 11.921 5.048 -5.796 1.00 25.00 H new ATOM 0 HB3 LYS B 29 12.578 5.113 -4.173 1.00 25.00 H new ATOM 0 HG2 LYS B 29 10.863 6.743 -3.497 1.00 25.00 H new ATOM 0 HG3 LYS B 29 10.249 6.824 -5.136 1.00 25.00 H new ATOM 0 HD2 LYS B 29 9.639 4.401 -5.004 1.00 25.00 H new ATOM 0 HD3 LYS B 29 10.201 4.367 -3.344 1.00 25.00 H new ATOM 0 HE2 LYS B 29 7.773 4.723 -3.355 1.00 25.00 H new ATOM 0 HE3 LYS B 29 8.561 6.168 -2.753 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 6.759 6.594 -4.412 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 8.255 7.261 -4.860 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 7.706 5.835 -5.600 1.00 25.00 H new ATOM 780 N THR B 30 15.357 7.122 -5.354 1.00 25.00 N ATOM 781 CA THR B 30 16.755 6.837 -5.698 1.00 25.00 C ATOM 782 C THR B 30 17.445 5.892 -4.715 1.00 25.00 C ATOM 783 O THR B 30 18.417 5.236 -4.991 1.00 25.00 O ATOM 784 CB THR B 30 17.520 8.164 -5.788 1.00 25.00 C ATOM 785 OG1 THR B 30 17.018 9.018 -4.763 1.00 25.00 O ATOM 786 CG2 THR B 30 17.254 8.865 -7.131 1.00 25.00 C ATOM 787 OXT THR B 30 16.935 5.860 -3.524 1.00 25.00 O ATOM 0 H THR B 30 15.246 7.934 -4.746 1.00 25.00 H new ATOM 0 HA THR B 30 16.758 6.321 -6.658 1.00 25.00 H new ATOM 0 HB THR B 30 18.587 7.966 -5.689 1.00 25.00 H new ATOM 0 HG1 THR B 30 17.489 9.877 -4.793 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.808 9.803 -7.168 1.00 25.00 H new ATOM 0 HG22 THR B 30 17.577 8.220 -7.948 1.00 25.00 H new ATOM 0 HG23 THR B 30 16.188 9.070 -7.230 1.00 25.00 H new TER 796 THR B 30