USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 374 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DAL H2 : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DAL H : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.78) 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 158:sc= -0.0633! USER MOD Single : A 18 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0106 USER MOD Single : A 21 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.3!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.13 K(o=-1.1,f=-7.4!) USER MOD Single : B 4 GLN : amide:sc= -0.466 K(o=-0.47,f=-3.7!) USER MOD Single : B 5 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : B 9 SER OG : rot 180:sc= -0.171 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.492 3.873 3.644 1.00 0.00 N ATOM 2 CA GLY A 1 -8.472 2.755 3.859 1.00 0.00 C ATOM 3 C GLY A 1 -7.023 3.035 3.645 1.00 0.00 C ATOM 4 O GLY A 1 -6.473 3.967 4.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.448 3.512 3.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.285 4.661 4.290 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.438 4.208 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.589 2.398 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.747 1.931 3.201 1.00 0.00 H new ATOM 10 N ILE A 2 -6.369 2.239 2.843 1.00 0.00 N ATOM 11 CA ILE A 2 -4.919 2.464 2.587 1.00 0.00 C ATOM 12 C ILE A 2 -4.720 3.837 1.943 1.00 0.00 C ATOM 13 O ILE A 2 -3.911 4.629 2.384 1.00 0.00 O ATOM 14 CB ILE A 2 -4.399 1.380 1.641 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.541 0.011 2.309 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.927 1.639 1.326 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.073 -1.079 1.343 1.00 0.00 C ATOM 0 H ILE A 2 -6.777 1.442 2.354 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.372 2.423 3.529 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.977 1.398 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.951 -0.022 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.579 -0.161 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.558 0.866 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.823 2.615 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.349 1.621 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.174 -2.055 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.682 -1.051 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.029 -0.909 1.081 1.00 0.00 H new ATOM 29 N VAL A 3 -5.446 4.121 0.898 1.00 0.00 N ATOM 30 CA VAL A 3 -5.299 5.437 0.217 1.00 0.00 C ATOM 31 C VAL A 3 -5.193 6.553 1.257 1.00 0.00 C ATOM 32 O VAL A 3 -4.495 7.527 1.059 1.00 0.00 O ATOM 33 CB VAL A 3 -6.512 5.683 -0.675 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.355 4.886 -1.969 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.778 5.230 0.054 1.00 0.00 C ATOM 0 H VAL A 3 -6.138 3.495 0.485 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.394 5.429 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.588 6.745 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.220 5.059 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.450 5.206 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.283 3.824 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.646 5.405 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.705 4.167 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.887 5.795 0.980 1.00 0.00 H new ATOM 45 N GLU A 4 -5.882 6.420 2.360 1.00 0.00 N ATOM 46 CA GLU A 4 -5.824 7.475 3.412 1.00 0.00 C ATOM 47 C GLU A 4 -4.395 8.007 3.525 1.00 0.00 C ATOM 48 O GLU A 4 -4.148 9.183 3.357 1.00 0.00 O ATOM 49 CB GLU A 4 -6.253 6.879 4.754 1.00 0.00 C ATOM 50 CG GLU A 4 -6.501 8.005 5.759 1.00 0.00 C ATOM 51 CD GLU A 4 -7.239 7.447 6.976 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.454 7.350 6.914 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.577 7.125 7.949 1.00 0.00 O ATOM 0 H GLU A 4 -6.483 5.625 2.577 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.495 8.292 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.158 6.285 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.481 6.207 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.554 8.448 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.088 8.798 5.296 1.00 0.00 H new ATOM 60 N GLN A 5 -3.449 7.156 3.802 1.00 0.00 N ATOM 61 CA GLN A 5 -2.047 7.637 3.911 1.00 0.00 C ATOM 62 C GLN A 5 -1.239 7.192 2.689 1.00 0.00 C ATOM 63 O GLN A 5 -0.232 7.786 2.357 1.00 0.00 O ATOM 64 CB GLN A 5 -1.404 7.086 5.184 1.00 0.00 C ATOM 65 CG GLN A 5 -1.838 7.932 6.383 1.00 0.00 C ATOM 66 CD GLN A 5 -1.947 7.042 7.624 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.968 7.020 8.281 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.929 6.306 7.976 1.00 0.00 N ATOM 0 H GLN A 5 -3.584 6.157 3.956 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.053 8.726 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.699 6.047 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.318 7.099 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.117 8.731 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.797 8.407 6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.071 6.324 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.991 5.712 8.803 1.00 0.00 H new ATOM 77 N CYS A 6 -1.661 6.157 2.014 1.00 0.00 N ATOM 78 CA CYS A 6 -0.895 5.701 0.821 1.00 0.00 C ATOM 79 C CYS A 6 -1.459 6.380 -0.428 1.00 0.00 C ATOM 80 O CYS A 6 -1.159 6.009 -1.543 1.00 0.00 O ATOM 81 CB CYS A 6 -1.005 4.182 0.683 1.00 0.00 C ATOM 82 SG CYS A 6 -0.036 3.391 1.993 1.00 0.00 S ATOM 0 H CYS A 6 -2.495 5.613 2.235 1.00 0.00 H new ATOM 0 HA CYS A 6 0.155 5.968 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.048 3.874 0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.642 3.867 -0.295 1.00 0.00 H new ATOM 87 N CYS A 7 -2.268 7.382 -0.241 1.00 0.00 N ATOM 88 CA CYS A 7 -2.851 8.105 -1.405 1.00 0.00 C ATOM 89 C CYS A 7 -3.097 9.561 -1.007 1.00 0.00 C ATOM 90 O CYS A 7 -2.908 10.470 -1.792 1.00 0.00 O ATOM 91 CB CYS A 7 -4.171 7.448 -1.815 1.00 0.00 C ATOM 92 SG CYS A 7 -4.931 8.403 -3.150 1.00 0.00 S ATOM 0 H CYS A 7 -2.553 7.734 0.673 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.162 8.064 -2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.993 6.423 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.845 7.397 -0.960 1.00 0.00 H new ATOM 97 N THR A 8 -3.496 9.792 0.216 1.00 0.00 N ATOM 98 CA THR A 8 -3.727 11.186 0.673 1.00 0.00 C ATOM 99 C THR A 8 -2.486 11.632 1.455 1.00 0.00 C ATOM 100 O THR A 8 -2.219 12.806 1.613 1.00 0.00 O ATOM 101 CB THR A 8 -4.994 11.221 1.552 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.088 11.677 0.768 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.813 12.157 2.752 1.00 0.00 C ATOM 0 H THR A 8 -3.671 9.071 0.916 1.00 0.00 H new ATOM 0 HA THR A 8 -3.883 11.865 -0.166 1.00 0.00 H new ATOM 0 HB THR A 8 -5.182 10.215 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.898 11.701 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.723 12.160 3.352 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.978 11.810 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.609 13.167 2.398 1.00 0.00 H new ATOM 111 N SER A 9 -1.723 10.685 1.929 1.00 0.00 N ATOM 112 CA SER A 9 -0.487 11.012 2.689 1.00 0.00 C ATOM 113 C SER A 9 0.693 10.282 2.038 1.00 0.00 C ATOM 114 O SER A 9 0.759 10.155 0.832 1.00 0.00 O ATOM 115 CB SER A 9 -0.657 10.548 4.134 1.00 0.00 C ATOM 116 OG SER A 9 0.063 11.417 4.998 1.00 0.00 O ATOM 0 H SER A 9 -1.907 9.688 1.820 1.00 0.00 H new ATOM 0 HA SER A 9 -0.302 12.086 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.713 10.543 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.295 9.526 4.244 1.00 0.00 H new ATOM 0 HG SER A 9 -0.047 11.121 5.926 1.00 0.00 H new ATOM 122 N ILE A 10 1.623 9.795 2.815 1.00 0.00 N ATOM 123 CA ILE A 10 2.779 9.073 2.216 1.00 0.00 C ATOM 124 C ILE A 10 2.664 7.579 2.544 1.00 0.00 C ATOM 125 O ILE A 10 2.231 7.198 3.614 1.00 0.00 O ATOM 126 CB ILE A 10 4.092 9.672 2.767 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.841 10.364 1.626 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.998 8.590 3.373 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.951 11.441 1.006 1.00 0.00 C ATOM 0 H ILE A 10 1.632 9.866 3.833 1.00 0.00 H new ATOM 0 HA ILE A 10 2.781 9.186 1.132 1.00 0.00 H new ATOM 0 HB ILE A 10 3.837 10.383 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.762 10.811 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.126 9.633 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.912 9.050 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.476 8.095 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.250 7.856 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.487 11.932 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.042 10.982 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.688 12.178 1.765 1.00 0.00 H new ATOM 141 N CYS A 11 3.057 6.733 1.632 1.00 0.00 N ATOM 142 CA CYS A 11 2.980 5.266 1.888 1.00 0.00 C ATOM 143 C CYS A 11 4.385 4.739 2.193 1.00 0.00 C ATOM 144 O CYS A 11 5.323 4.992 1.463 1.00 0.00 O ATOM 145 CB CYS A 11 2.423 4.560 0.648 1.00 0.00 C ATOM 146 SG CYS A 11 1.733 2.952 1.119 1.00 0.00 S ATOM 0 H CYS A 11 3.429 6.994 0.719 1.00 0.00 H new ATOM 0 HA CYS A 11 2.323 5.072 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.653 5.175 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.213 4.425 -0.091 1.00 0.00 H new ATOM 151 N SER A 12 4.543 4.018 3.271 1.00 0.00 N ATOM 152 CA SER A 12 5.892 3.491 3.621 1.00 0.00 C ATOM 153 C SER A 12 5.958 1.987 3.340 1.00 0.00 C ATOM 154 O SER A 12 4.948 1.328 3.187 1.00 0.00 O ATOM 155 CB SER A 12 6.155 3.739 5.103 1.00 0.00 C ATOM 156 OG SER A 12 4.919 3.953 5.770 1.00 0.00 O ATOM 0 H SER A 12 3.798 3.772 3.922 1.00 0.00 H new ATOM 0 HA SER A 12 6.644 3.999 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.674 2.886 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.804 4.606 5.229 1.00 0.00 H new ATOM 0 HG SER A 12 5.027 3.769 6.727 1.00 0.00 H new ATOM 162 N LEU A 13 7.143 1.441 3.274 1.00 0.00 N ATOM 163 CA LEU A 13 7.282 -0.018 3.006 1.00 0.00 C ATOM 164 C LEU A 13 6.818 -0.812 4.230 1.00 0.00 C ATOM 165 O LEU A 13 6.402 -1.948 4.123 1.00 0.00 O ATOM 166 CB LEU A 13 8.746 -0.346 2.711 1.00 0.00 C ATOM 167 CG LEU A 13 8.835 -1.150 1.412 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.226 -2.537 1.625 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.070 -0.425 0.303 1.00 0.00 C ATOM 0 H LEU A 13 8.022 1.944 3.395 1.00 0.00 H new ATOM 0 HA LEU A 13 6.669 -0.287 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.325 0.573 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.176 -0.916 3.535 1.00 0.00 H new ATOM 0 HG LEU A 13 9.881 -1.251 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.290 -3.109 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.773 -3.058 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.181 -2.435 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.136 -1.000 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.024 -0.320 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.504 0.562 0.147 1.00 0.00 H new ATOM 181 N TYR A 14 6.880 -0.226 5.393 1.00 0.00 N ATOM 182 CA TYR A 14 6.434 -0.958 6.611 1.00 0.00 C ATOM 183 C TYR A 14 4.919 -0.808 6.759 1.00 0.00 C ATOM 184 O TYR A 14 4.249 -1.667 7.298 1.00 0.00 O ATOM 185 CB TYR A 14 7.139 -0.386 7.847 1.00 0.00 C ATOM 186 CG TYR A 14 6.506 0.928 8.241 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.428 0.947 9.135 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.996 2.129 7.710 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.840 2.165 9.501 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.409 3.348 8.075 1.00 0.00 C ATOM 191 CZ TYR A 14 5.330 3.365 8.971 1.00 0.00 C ATOM 192 OH TYR A 14 4.751 4.566 9.330 1.00 0.00 O ATOM 0 H TYR A 14 7.218 0.723 5.553 1.00 0.00 H new ATOM 0 HA TYR A 14 6.688 -2.014 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.073 -1.093 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.198 -0.240 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.049 0.021 9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.826 2.115 7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.010 2.178 10.191 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.787 4.274 7.667 1.00 0.00 H new ATOM 0 HH TYR A 14 5.211 5.301 8.873 1.00 0.00 H new ATOM 202 N GLN A 15 4.375 0.280 6.286 1.00 0.00 N ATOM 203 CA GLN A 15 2.905 0.488 6.400 1.00 0.00 C ATOM 204 C GLN A 15 2.175 -0.494 5.488 1.00 0.00 C ATOM 205 O GLN A 15 1.235 -1.146 5.897 1.00 0.00 O ATOM 206 CB GLN A 15 2.555 1.923 6.002 1.00 0.00 C ATOM 207 CG GLN A 15 1.202 2.303 6.606 1.00 0.00 C ATOM 208 CD GLN A 15 1.263 2.154 8.128 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.861 2.965 8.805 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.664 1.144 8.696 1.00 0.00 N ATOM 0 H GLN A 15 4.886 1.033 5.826 1.00 0.00 H new ATOM 0 HA GLN A 15 2.596 0.317 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.327 2.608 6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.519 2.012 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.948 3.329 6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.418 1.665 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.162 0.463 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.698 1.035 9.710 1.00 0.00 H new ATOM 219 N LEU A 16 2.592 -0.615 4.258 1.00 0.00 N ATOM 220 CA LEU A 16 1.906 -1.562 3.354 1.00 0.00 C ATOM 221 C LEU A 16 2.292 -2.988 3.755 1.00 0.00 C ATOM 222 O LEU A 16 1.597 -3.936 3.452 1.00 0.00 O ATOM 223 CB LEU A 16 2.283 -1.228 1.898 1.00 0.00 C ATOM 224 CG LEU A 16 3.405 -2.130 1.362 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.572 -2.133 2.345 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.883 -3.557 1.167 1.00 0.00 C ATOM 0 H LEU A 16 3.372 -0.101 3.848 1.00 0.00 H new ATOM 0 HA LEU A 16 0.822 -1.478 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.402 -1.333 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.598 -0.186 1.837 1.00 0.00 H new ATOM 0 HG LEU A 16 3.745 -1.745 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.367 -2.773 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.950 -1.118 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.234 -2.510 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.685 -4.189 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.533 -3.950 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.059 -3.549 0.454 1.00 0.00 H new ATOM 238 N GLU A 17 3.379 -3.146 4.462 1.00 0.00 N ATOM 239 CA GLU A 17 3.773 -4.507 4.904 1.00 0.00 C ATOM 240 C GLU A 17 2.731 -4.959 5.912 1.00 0.00 C ATOM 241 O GLU A 17 2.305 -6.097 5.938 1.00 0.00 O ATOM 242 CB GLU A 17 5.154 -4.459 5.559 1.00 0.00 C ATOM 243 CG GLU A 17 6.211 -4.929 4.558 1.00 0.00 C ATOM 244 CD GLU A 17 6.307 -6.455 4.595 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.044 -6.963 5.424 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.642 -7.090 3.794 1.00 0.00 O ATOM 0 H GLU A 17 4.005 -2.394 4.749 1.00 0.00 H new ATOM 0 HA GLU A 17 3.824 -5.197 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.376 -3.444 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.170 -5.093 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.950 -4.595 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.178 -4.487 4.800 1.00 0.00 H new ATOM 253 N ASN A 18 2.292 -4.038 6.714 1.00 0.00 N ATOM 254 CA ASN A 18 1.240 -4.338 7.711 1.00 0.00 C ATOM 255 C ASN A 18 -0.092 -4.456 6.974 1.00 0.00 C ATOM 256 O ASN A 18 -1.014 -5.109 7.420 1.00 0.00 O ATOM 257 CB ASN A 18 1.170 -3.190 8.719 1.00 0.00 C ATOM 258 CG ASN A 18 1.887 -3.592 10.009 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.714 -4.481 10.007 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.602 -2.968 11.120 1.00 0.00 N ATOM 0 H ASN A 18 2.624 -3.074 6.720 1.00 0.00 H new ATOM 0 HA ASN A 18 1.460 -5.267 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.631 -2.296 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.130 -2.943 8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.074 -3.227 11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.907 -2.221 11.122 1.00 0.00 H new ATOM 267 N TYR A 19 -0.185 -3.821 5.836 1.00 0.00 N ATOM 268 CA TYR A 19 -1.438 -3.878 5.041 1.00 0.00 C ATOM 269 C TYR A 19 -1.624 -5.291 4.485 1.00 0.00 C ATOM 270 O TYR A 19 -2.731 -5.747 4.282 1.00 0.00 O ATOM 271 CB TYR A 19 -1.339 -2.877 3.885 1.00 0.00 C ATOM 272 CG TYR A 19 -1.494 -1.461 4.404 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.675 -1.220 5.775 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.454 -0.386 3.507 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.816 0.093 6.244 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.594 0.927 3.977 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.775 1.166 5.345 1.00 0.00 C ATOM 278 OH TYR A 19 -1.913 2.459 5.807 1.00 0.00 O ATOM 0 H TYR A 19 0.562 -3.262 5.423 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.290 -3.627 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.378 -2.985 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.111 -3.087 3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.706 -2.047 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.315 -0.569 2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.956 0.277 7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.562 1.755 3.284 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.860 3.083 5.053 1.00 0.00 H new ATOM 288 N CYS A 20 -0.548 -5.991 4.239 1.00 0.00 N ATOM 289 CA CYS A 20 -0.675 -7.374 3.702 1.00 0.00 C ATOM 290 C CYS A 20 -1.091 -8.318 4.831 1.00 0.00 C ATOM 291 O CYS A 20 -0.291 -8.693 5.666 1.00 0.00 O ATOM 292 CB CYS A 20 0.665 -7.834 3.121 1.00 0.00 C ATOM 293 SG CYS A 20 0.553 -9.590 2.691 1.00 0.00 S ATOM 0 H CYS A 20 0.407 -5.666 4.386 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.429 -7.386 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.914 -7.246 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.464 -7.674 3.845 1.00 0.00 H new ATOM 298 N ASN A 21 -2.337 -8.705 4.865 1.00 0.00 N ATOM 299 CA ASN A 21 -2.803 -9.624 5.941 1.00 0.00 C ATOM 300 C ASN A 21 -2.388 -9.068 7.305 1.00 0.00 C ATOM 301 O ASN A 21 -2.634 -9.737 8.295 1.00 0.00 O ATOM 302 CB ASN A 21 -2.173 -11.004 5.740 1.00 0.00 C ATOM 303 CG ASN A 21 -2.089 -11.312 4.244 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.069 -11.762 3.760 1.00 0.00 O ATOM 305 ND2 ASN A 21 -3.127 -11.084 3.485 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.835 -7.982 7.337 1.00 0.00 O ATOM 0 H ASN A 21 -3.052 -8.424 4.194 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.889 -9.709 5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.178 -11.030 6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.768 -11.764 6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.082 -11.284 2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.983 -10.706 3.891 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.008 4.185 0.085 1.00 0.00 N ATOM 315 CA PHE B 1 12.411 3.081 -0.717 1.00 0.00 C ATOM 316 C PHE B 1 11.210 3.616 -1.498 1.00 0.00 C ATOM 317 O PHE B 1 11.239 3.716 -2.709 1.00 0.00 O ATOM 318 CB PHE B 1 11.955 1.960 0.219 1.00 0.00 C ATOM 319 CG PHE B 1 12.046 0.606 -0.527 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.107 0.267 -1.534 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.074 -0.321 -0.225 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.199 -0.958 -2.205 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.150 -1.542 -0.905 1.00 0.00 C ATOM 324 CZ PHE B 1 12.216 -1.860 -1.891 1.00 0.00 C ATOM 0 H1 PHE B 1 13.825 3.824 0.618 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.318 4.948 -0.551 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.298 4.555 0.749 1.00 0.00 H new ATOM 0 HA PHE B 1 13.154 2.691 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.579 1.939 1.112 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.932 2.139 0.549 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.316 0.958 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.804 -0.084 0.535 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.479 -1.206 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.936 -2.242 -0.665 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.280 -2.804 -2.411 1.00 0.00 H new ATOM 336 N VAL B 2 10.154 3.967 -0.816 1.00 0.00 N ATOM 337 CA VAL B 2 8.955 4.500 -1.521 1.00 0.00 C ATOM 338 C VAL B 2 8.096 5.298 -0.539 1.00 0.00 C ATOM 339 O VAL B 2 7.204 4.767 0.094 1.00 0.00 O ATOM 340 CB VAL B 2 8.139 3.340 -2.087 1.00 0.00 C ATOM 341 CG1 VAL B 2 7.760 2.388 -0.956 1.00 0.00 C ATOM 342 CG2 VAL B 2 6.867 3.885 -2.743 1.00 0.00 C ATOM 0 H VAL B 2 10.070 3.908 0.199 1.00 0.00 H new ATOM 0 HA VAL B 2 9.273 5.151 -2.335 1.00 0.00 H new ATOM 0 HB VAL B 2 8.731 2.805 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.177 1.559 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.665 2.002 -0.487 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.167 2.922 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.283 3.058 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.274 4.418 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.137 4.567 -3.549 1.00 0.00 H new ATOM 352 N ASN B 3 8.357 6.570 -0.405 1.00 0.00 N ATOM 353 CA ASN B 3 7.556 7.401 0.535 1.00 0.00 C ATOM 354 C ASN B 3 6.811 8.485 -0.248 1.00 0.00 C ATOM 355 O ASN B 3 6.994 9.664 -0.021 1.00 0.00 O ATOM 356 CB ASN B 3 8.487 8.059 1.557 1.00 0.00 C ATOM 357 CG ASN B 3 9.443 9.012 0.837 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.502 9.030 -0.376 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.200 9.810 1.539 1.00 0.00 N ATOM 0 H ASN B 3 9.091 7.069 -0.907 1.00 0.00 H new ATOM 0 HA ASN B 3 6.836 6.768 1.054 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.903 8.604 2.299 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.052 7.297 2.094 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.841 10.449 1.069 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.150 9.795 2.558 1.00 0.00 H new ATOM 366 N GLN B 4 5.979 8.094 -1.176 1.00 0.00 N ATOM 367 CA GLN B 4 5.232 9.095 -1.976 1.00 0.00 C ATOM 368 C GLN B 4 3.771 8.658 -2.118 1.00 0.00 C ATOM 369 O GLN B 4 3.356 7.651 -1.573 1.00 0.00 O ATOM 370 CB GLN B 4 5.867 9.190 -3.360 1.00 0.00 C ATOM 371 CG GLN B 4 6.756 10.433 -3.437 1.00 0.00 C ATOM 372 CD GLN B 4 6.134 11.450 -4.395 1.00 0.00 C ATOM 373 OE1 GLN B 4 4.984 11.324 -4.770 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.848 12.459 -4.812 1.00 0.00 N ATOM 0 H GLN B 4 5.787 7.120 -1.412 1.00 0.00 H new ATOM 0 HA GLN B 4 5.269 10.064 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.457 8.296 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.091 9.239 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.869 10.873 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.754 10.158 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.813 12.566 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.442 13.141 -5.452 1.00 0.00 H new ATOM 383 N HIS B 5 2.988 9.408 -2.849 1.00 0.00 N ATOM 384 CA HIS B 5 1.563 9.047 -3.037 1.00 0.00 C ATOM 385 C HIS B 5 1.447 8.020 -4.165 1.00 0.00 C ATOM 386 O HIS B 5 1.718 8.312 -5.313 1.00 0.00 O ATOM 387 CB HIS B 5 0.763 10.298 -3.400 1.00 0.00 C ATOM 388 CG HIS B 5 1.078 11.396 -2.422 1.00 0.00 C ATOM 389 ND1 HIS B 5 0.247 11.669 -1.355 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.126 12.271 -2.359 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.806 12.686 -0.684 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.958 13.088 -1.261 1.00 0.00 N ATOM 0 H HIS B 5 3.283 10.261 -3.325 1.00 0.00 H new ATOM 0 HA HIS B 5 1.169 8.622 -2.114 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.007 10.618 -4.413 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.304 10.077 -3.384 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.951 12.315 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.387 13.129 0.207 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.575 13.839 -0.950 1.00 0.00 H new ATOM 400 N LEU B 6 1.059 6.815 -3.849 1.00 0.00 N ATOM 401 CA LEU B 6 0.941 5.767 -4.899 1.00 0.00 C ATOM 402 C LEU B 6 -0.527 5.376 -5.086 1.00 0.00 C ATOM 403 O LEU B 6 -0.819 4.320 -5.572 1.00 0.00 O ATOM 404 CB LEU B 6 1.738 4.532 -4.474 1.00 0.00 C ATOM 405 CG LEU B 6 1.951 4.536 -2.958 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.614 4.314 -2.252 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.916 3.415 -2.580 1.00 0.00 C ATOM 0 H LEU B 6 0.818 6.511 -2.906 1.00 0.00 H new ATOM 0 HA LEU B 6 1.332 6.158 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.207 3.628 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.701 4.519 -4.984 1.00 0.00 H new ATOM 0 HG LEU B 6 2.367 5.496 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.767 4.317 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.077 5.112 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.197 3.354 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.070 3.416 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.498 2.456 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.871 3.572 -3.082 1.00 0.00 H new ATOM 419 N CYS B 7 -1.427 6.235 -4.690 1.00 0.00 N ATOM 420 CA CYS B 7 -2.911 5.982 -4.805 1.00 0.00 C ATOM 421 C CYS B 7 -3.282 4.686 -5.558 1.00 0.00 C ATOM 422 O CYS B 7 -2.757 4.374 -6.609 1.00 0.00 O ATOM 423 CB CYS B 7 -3.550 7.163 -5.532 1.00 0.00 C ATOM 424 SG CYS B 7 -3.445 8.641 -4.495 1.00 0.00 S ATOM 0 H CYS B 7 -1.195 7.137 -4.275 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.283 5.865 -3.787 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.044 7.336 -6.482 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.592 6.941 -5.762 1.00 0.00 H new ATOM 429 N GLY B 8 -4.238 3.969 -5.016 1.00 0.00 N ATOM 430 CA GLY B 8 -4.755 2.704 -5.636 1.00 0.00 C ATOM 431 C GLY B 8 -3.754 2.065 -6.603 1.00 0.00 C ATOM 432 O GLY B 8 -2.737 1.548 -6.205 1.00 0.00 O ATOM 0 H GLY B 8 -4.697 4.217 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.998 1.991 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.682 2.918 -6.168 1.00 0.00 H new ATOM 436 N SER B 9 -4.079 2.071 -7.871 1.00 0.00 N ATOM 437 CA SER B 9 -3.206 1.443 -8.915 1.00 0.00 C ATOM 438 C SER B 9 -1.731 1.416 -8.496 1.00 0.00 C ATOM 439 O SER B 9 -1.038 0.444 -8.726 1.00 0.00 O ATOM 440 CB SER B 9 -3.340 2.233 -10.217 1.00 0.00 C ATOM 441 OG SER B 9 -2.534 3.403 -10.141 1.00 0.00 O ATOM 0 H SER B 9 -4.932 2.494 -8.236 1.00 0.00 H new ATOM 0 HA SER B 9 -3.534 0.412 -9.048 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.031 1.618 -11.062 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.382 2.505 -10.385 1.00 0.00 H new ATOM 0 HG SER B 9 -2.616 3.911 -10.975 1.00 0.00 H new ATOM 447 N ASP B 10 -1.234 2.466 -7.908 1.00 0.00 N ATOM 448 CA ASP B 10 0.202 2.475 -7.514 1.00 0.00 C ATOM 449 C ASP B 10 0.377 1.913 -6.098 1.00 0.00 C ATOM 450 O ASP B 10 1.401 1.344 -5.774 1.00 0.00 O ATOM 451 CB ASP B 10 0.729 3.908 -7.569 1.00 0.00 C ATOM 452 CG ASP B 10 1.505 4.117 -8.870 1.00 0.00 C ATOM 453 OD1 ASP B 10 0.906 3.970 -9.923 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.684 4.417 -8.792 1.00 0.00 O ATOM 0 H ASP B 10 -1.755 3.314 -7.684 1.00 0.00 H new ATOM 0 HA ASP B 10 0.763 1.847 -8.206 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.099 4.614 -7.510 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.375 4.102 -6.713 1.00 0.00 H new ATOM 459 N LEU B 11 -0.603 2.067 -5.250 1.00 0.00 N ATOM 460 CA LEU B 11 -0.468 1.541 -3.863 1.00 0.00 C ATOM 461 C LEU B 11 -0.746 0.037 -3.871 1.00 0.00 C ATOM 462 O LEU B 11 -0.094 -0.726 -3.185 1.00 0.00 O ATOM 463 CB LEU B 11 -1.444 2.275 -2.934 1.00 0.00 C ATOM 464 CG LEU B 11 -2.854 1.701 -3.077 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.984 0.447 -2.214 1.00 0.00 C ATOM 466 CD2 LEU B 11 -3.869 2.745 -2.607 1.00 0.00 C ATOM 0 H LEU B 11 -1.487 2.532 -5.457 1.00 0.00 H new ATOM 0 HA LEU B 11 0.544 1.710 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.111 2.183 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.452 3.339 -3.172 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.042 1.445 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.989 0.038 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.255 -0.296 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.801 0.703 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.877 2.343 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.678 2.993 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.775 3.644 -3.217 1.00 0.00 H new ATOM 478 N VAL B 12 -1.682 -0.402 -4.666 1.00 0.00 N ATOM 479 CA VAL B 12 -1.965 -1.860 -4.739 1.00 0.00 C ATOM 480 C VAL B 12 -0.846 -2.507 -5.557 1.00 0.00 C ATOM 481 O VAL B 12 -0.549 -3.676 -5.416 1.00 0.00 O ATOM 482 CB VAL B 12 -3.319 -2.097 -5.410 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.470 -1.152 -6.601 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.410 -3.547 -5.896 1.00 0.00 C ATOM 0 H VAL B 12 -2.261 0.185 -5.266 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.005 -2.295 -3.740 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.115 -1.908 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.435 -1.321 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.412 -0.120 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.671 -1.340 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.376 -3.711 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.613 -3.741 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.305 -4.223 -5.047 1.00 0.00 H new ATOM 494 N GLU B 13 -0.206 -1.735 -6.395 1.00 0.00 N ATOM 495 CA GLU B 13 0.917 -2.280 -7.201 1.00 0.00 C ATOM 496 C GLU B 13 2.071 -2.574 -6.248 1.00 0.00 C ATOM 497 O GLU B 13 2.679 -3.625 -6.290 1.00 0.00 O ATOM 498 CB GLU B 13 1.351 -1.243 -8.239 1.00 0.00 C ATOM 499 CG GLU B 13 0.751 -1.600 -9.600 1.00 0.00 C ATOM 500 CD GLU B 13 1.155 -0.542 -10.629 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.268 -0.620 -11.122 1.00 0.00 O ATOM 502 OE2 GLU B 13 0.345 0.327 -10.906 1.00 0.00 O ATOM 0 H GLU B 13 -0.415 -0.749 -6.554 1.00 0.00 H new ATOM 0 HA GLU B 13 0.614 -3.188 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.023 -0.249 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.439 -1.213 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.100 -2.583 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.335 -1.656 -9.527 1.00 0.00 H new ATOM 509 N ALA B 14 2.351 -1.657 -5.361 1.00 0.00 N ATOM 510 CA ALA B 14 3.436 -1.885 -4.373 1.00 0.00 C ATOM 511 C ALA B 14 3.017 -3.058 -3.492 1.00 0.00 C ATOM 512 O ALA B 14 3.822 -3.867 -3.075 1.00 0.00 O ATOM 513 CB ALA B 14 3.618 -0.631 -3.515 1.00 0.00 C ATOM 0 H ALA B 14 1.873 -0.760 -5.281 1.00 0.00 H new ATOM 0 HA ALA B 14 4.378 -2.102 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.414 -0.799 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.881 0.212 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.689 -0.412 -2.989 1.00 0.00 H new ATOM 519 N LEU B 15 1.743 -3.158 -3.228 1.00 0.00 N ATOM 520 CA LEU B 15 1.220 -4.274 -2.403 1.00 0.00 C ATOM 521 C LEU B 15 1.661 -5.597 -3.030 1.00 0.00 C ATOM 522 O LEU B 15 1.821 -6.596 -2.357 1.00 0.00 O ATOM 523 CB LEU B 15 -0.311 -4.184 -2.409 1.00 0.00 C ATOM 524 CG LEU B 15 -0.842 -3.353 -1.226 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.355 -4.294 -0.138 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.256 -2.456 -0.635 1.00 0.00 C ATOM 0 H LEU B 15 1.035 -2.501 -3.556 1.00 0.00 H new ATOM 0 HA LEU B 15 1.596 -4.217 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.645 -3.737 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.734 -5.188 -2.366 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.648 -2.717 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.732 -3.709 0.701 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.159 -4.911 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.541 -4.934 0.202 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.151 -1.883 0.198 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.080 -3.075 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.620 -1.773 -1.402 1.00 0.00 H new ATOM 538 N TYR B 16 1.863 -5.603 -4.320 1.00 0.00 N ATOM 539 CA TYR B 16 2.301 -6.849 -5.006 1.00 0.00 C ATOM 540 C TYR B 16 3.812 -7.006 -4.826 1.00 0.00 C ATOM 541 O TYR B 16 4.272 -7.825 -4.055 1.00 0.00 O ATOM 542 CB TYR B 16 1.962 -6.747 -6.500 1.00 0.00 C ATOM 543 CG TYR B 16 2.777 -7.747 -7.289 1.00 0.00 C ATOM 544 CD1 TYR B 16 3.025 -9.021 -6.762 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.282 -7.399 -8.548 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.779 -9.947 -7.495 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.035 -8.326 -9.281 1.00 0.00 C ATOM 548 CZ TYR B 16 4.284 -9.600 -8.754 1.00 0.00 C ATOM 549 OH TYR B 16 5.025 -10.512 -9.477 1.00 0.00 O ATOM 0 H TYR B 16 1.742 -4.794 -4.929 1.00 0.00 H new ATOM 0 HA TYR B 16 1.791 -7.713 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.899 -6.932 -6.653 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.165 -5.738 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.635 -9.289 -5.791 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.091 -6.417 -8.954 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.971 -10.929 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.424 -8.058 -10.252 1.00 0.00 H new ATOM 0 HH TYR B 16 5.297 -10.111 -10.328 1.00 0.00 H new ATOM 559 N LEU B 17 4.584 -6.228 -5.530 1.00 0.00 N ATOM 560 CA LEU B 17 6.054 -6.331 -5.401 1.00 0.00 C ATOM 561 C LEU B 17 6.436 -6.370 -3.917 1.00 0.00 C ATOM 562 O LEU B 17 7.454 -6.919 -3.544 1.00 0.00 O ATOM 563 CB LEU B 17 6.700 -5.129 -6.094 1.00 0.00 C ATOM 564 CG LEU B 17 6.681 -3.918 -5.164 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.051 -3.758 -4.503 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.351 -2.660 -5.969 1.00 0.00 C ATOM 0 H LEU B 17 4.254 -5.524 -6.190 1.00 0.00 H new ATOM 0 HA LEU B 17 6.410 -7.247 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.726 -5.368 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.165 -4.899 -7.015 1.00 0.00 H new ATOM 0 HG LEU B 17 5.923 -4.065 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.036 -2.893 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.284 -4.654 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.811 -3.613 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.338 -1.796 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.107 -2.513 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.373 -2.773 -6.437 1.00 0.00 H new ATOM 578 N VAL B 18 5.624 -5.800 -3.067 1.00 0.00 N ATOM 579 CA VAL B 18 5.945 -5.817 -1.612 1.00 0.00 C ATOM 580 C VAL B 18 5.573 -7.185 -1.030 1.00 0.00 C ATOM 581 O VAL B 18 6.356 -8.114 -1.060 1.00 0.00 O ATOM 582 CB VAL B 18 5.150 -4.728 -0.893 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.253 -4.942 0.616 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.716 -3.351 -1.248 1.00 0.00 C ATOM 0 H VAL B 18 4.756 -5.326 -3.317 1.00 0.00 H new ATOM 0 HA VAL B 18 7.011 -5.633 -1.475 1.00 0.00 H new ATOM 0 HB VAL B 18 4.107 -4.779 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.687 -4.167 1.133 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.847 -5.920 0.873 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.299 -4.892 0.920 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.145 -2.579 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.760 -3.296 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.646 -3.196 -2.325 1.00 0.00 H new ATOM 594 N CYS B 19 4.385 -7.317 -0.503 1.00 0.00 N ATOM 595 CA CYS B 19 3.968 -8.625 0.076 1.00 0.00 C ATOM 596 C CYS B 19 3.808 -9.650 -1.048 1.00 0.00 C ATOM 597 O CYS B 19 4.482 -10.660 -1.085 1.00 0.00 O ATOM 598 CB CYS B 19 2.636 -8.467 0.808 1.00 0.00 C ATOM 599 SG CYS B 19 2.288 -9.980 1.739 1.00 0.00 S ATOM 0 H CYS B 19 3.686 -6.576 -0.449 1.00 0.00 H new ATOM 0 HA CYS B 19 4.728 -8.965 0.779 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.677 -7.612 1.482 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.836 -8.272 0.094 1.00 0.00 H new ATOM 604 N GLY B 20 2.916 -9.396 -1.967 1.00 0.00 N ATOM 605 CA GLY B 20 2.706 -10.351 -3.091 1.00 0.00 C ATOM 606 C GLY B 20 1.865 -11.532 -2.607 1.00 0.00 C ATOM 607 O GLY B 20 1.731 -12.529 -3.289 1.00 0.00 O ATOM 0 H GLY B 20 2.323 -8.566 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.205 -9.850 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.666 -10.704 -3.466 1.00 0.00 H new ATOM 611 N GLU B 21 1.304 -11.430 -1.430 1.00 0.00 N ATOM 612 CA GLU B 21 0.475 -12.543 -0.891 1.00 0.00 C ATOM 613 C GLU B 21 1.179 -13.865 -1.164 1.00 0.00 C ATOM 614 O GLU B 21 0.562 -14.903 -1.304 1.00 0.00 O ATOM 615 CB GLU B 21 -0.893 -12.534 -1.562 1.00 0.00 C ATOM 616 CG GLU B 21 -0.767 -12.971 -3.023 1.00 0.00 C ATOM 617 CD GLU B 21 -2.154 -13.293 -3.580 1.00 0.00 C ATOM 618 OE1 GLU B 21 -2.886 -12.361 -3.868 1.00 0.00 O ATOM 619 OE2 GLU B 21 -2.461 -14.467 -3.708 1.00 0.00 O ATOM 0 H GLU B 21 1.386 -10.618 -0.818 1.00 0.00 H new ATOM 0 HA GLU B 21 0.342 -12.417 0.184 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.571 -13.203 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.325 -11.535 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.302 -12.180 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.121 -13.846 -3.098 1.00 0.00 H new ATOM 626 N ARG B 22 2.471 -13.823 -1.241 1.00 0.00 N ATOM 627 CA ARG B 22 3.252 -15.063 -1.506 1.00 0.00 C ATOM 628 C ARG B 22 2.730 -15.726 -2.783 1.00 0.00 C ATOM 629 O ARG B 22 2.923 -16.904 -3.006 1.00 0.00 O ATOM 630 CB ARG B 22 3.095 -16.027 -0.328 1.00 0.00 C ATOM 631 CG ARG B 22 3.592 -15.353 0.953 1.00 0.00 C ATOM 632 CD ARG B 22 2.406 -15.071 1.878 1.00 0.00 C ATOM 633 NE ARG B 22 2.816 -15.293 3.293 1.00 0.00 N ATOM 634 CZ ARG B 22 2.310 -16.287 3.971 1.00 0.00 C ATOM 635 NH1 ARG B 22 1.060 -16.624 3.802 1.00 0.00 N ATOM 636 NH2 ARG B 22 3.053 -16.943 4.819 1.00 0.00 N ATOM 0 H ARG B 22 3.030 -12.977 -1.131 1.00 0.00 H new ATOM 0 HA ARG B 22 4.306 -14.812 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.050 -16.316 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG B 22 3.660 -16.940 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG B 22 4.315 -15.995 1.457 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.106 -14.423 0.711 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.063 -14.045 1.744 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.570 -15.723 1.624 1.00 0.00 H new ATOM 0 HE ARG B 22 3.492 -14.668 3.732 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.478 -16.110 3.140 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.665 -17.401 4.332 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.029 -16.679 4.952 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.658 -17.720 5.349 1.00 0.00 H new ATOM 650 N GLY B 23 2.071 -14.976 -3.622 1.00 0.00 N ATOM 651 CA GLY B 23 1.537 -15.560 -4.885 1.00 0.00 C ATOM 652 C GLY B 23 1.452 -14.471 -5.957 1.00 0.00 C ATOM 653 O GLY B 23 2.383 -14.248 -6.705 1.00 0.00 O ATOM 0 H GLY B 23 1.879 -13.983 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.183 -16.370 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY B 23 0.551 -15.991 -4.710 1.00 0.00 H new HETATM 657 N DAL B 24 0.341 -13.790 -6.037 1.00 0.00 N HETATM 658 CA DAL B 24 0.193 -12.718 -7.057 1.00 0.00 C HETATM 659 CB DAL B 24 1.139 -11.561 -6.726 1.00 0.00 C HETATM 660 C DAL B 24 -1.251 -12.216 -7.052 1.00 0.00 C HETATM 661 O DAL B 24 -2.107 -12.761 -6.386 1.00 0.00 O HETATM 0 HB3 DAL B 24 0.894 -11.161 -5.742 1.00 0.00 H new HETATM 0 HB2 DAL B 24 2.168 -11.921 -6.726 1.00 0.00 H new HETATM 0 HB1 DAL B 24 1.030 -10.776 -7.474 1.00 0.00 H new HETATM 0 HA DAL B 24 0.440 -13.113 -8.042 1.00 0.00 H new ATOM 667 N PHE B 25 -1.526 -11.178 -7.791 1.00 0.00 N ATOM 668 CA PHE B 25 -2.914 -10.637 -7.832 1.00 0.00 C ATOM 669 C PHE B 25 -3.674 -11.264 -9.002 1.00 0.00 C ATOM 670 O PHE B 25 -4.777 -10.868 -9.320 1.00 0.00 O ATOM 671 CB PHE B 25 -2.864 -9.119 -8.012 1.00 0.00 C ATOM 672 CG PHE B 25 -3.202 -8.438 -6.663 1.00 0.00 C ATOM 673 CD1 PHE B 25 -4.496 -8.556 -6.095 1.00 0.00 C ATOM 674 CD2 PHE B 25 -2.225 -7.688 -5.966 1.00 0.00 C ATOM 675 CE1 PHE B 25 -4.791 -7.939 -4.872 1.00 0.00 C ATOM 676 CE2 PHE B 25 -2.537 -7.077 -4.745 1.00 0.00 C ATOM 677 CZ PHE B 25 -3.816 -7.201 -4.201 1.00 0.00 C ATOM 0 H PHE B 25 -0.849 -10.680 -8.369 1.00 0.00 H new ATOM 0 HA PHE B 25 -3.424 -10.877 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.874 -8.813 -8.350 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -3.573 -8.808 -8.779 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.258 -9.124 -6.608 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.232 -7.586 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.779 -8.035 -4.446 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.784 -6.507 -4.222 1.00 0.00 H new ATOM 0 HZ PHE B 25 -4.051 -6.725 -3.260 1.00 0.00 H new ATOM 687 N TYR B 26 -3.091 -12.238 -9.650 1.00 0.00 N ATOM 688 CA TYR B 26 -3.778 -12.887 -10.801 1.00 0.00 C ATOM 689 C TYR B 26 -5.252 -13.116 -10.462 1.00 0.00 C ATOM 690 O TYR B 26 -5.586 -13.616 -9.407 1.00 0.00 O ATOM 691 CB TYR B 26 -3.113 -14.232 -11.099 1.00 0.00 C ATOM 692 CG TYR B 26 -3.897 -14.955 -12.168 1.00 0.00 C ATOM 693 CD1 TYR B 26 -3.683 -14.653 -13.520 1.00 0.00 C ATOM 694 CD2 TYR B 26 -4.840 -15.927 -11.809 1.00 0.00 C ATOM 695 CE1 TYR B 26 -4.411 -15.323 -14.512 1.00 0.00 C ATOM 696 CE2 TYR B 26 -5.569 -16.597 -12.801 1.00 0.00 C ATOM 697 CZ TYR B 26 -5.354 -16.295 -14.152 1.00 0.00 C ATOM 698 OH TYR B 26 -6.072 -16.955 -15.129 1.00 0.00 O ATOM 0 H TYR B 26 -2.168 -12.611 -9.430 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.704 -12.239 -11.674 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.086 -14.077 -11.429 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.069 -14.837 -10.193 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -2.957 -13.903 -13.797 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.005 -16.160 -10.767 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.245 -15.090 -15.554 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.296 -17.346 -12.524 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.682 -17.597 -14.709 1.00 0.00 H new ATOM 708 N THR B 27 -6.136 -12.755 -11.352 1.00 0.00 N ATOM 709 CA THR B 27 -7.587 -12.954 -11.082 1.00 0.00 C ATOM 710 C THR B 27 -8.182 -13.875 -12.150 1.00 0.00 C ATOM 711 O THR B 27 -7.533 -14.217 -13.118 1.00 0.00 O ATOM 712 CB THR B 27 -8.303 -11.601 -11.120 1.00 0.00 C ATOM 713 OG1 THR B 27 -8.500 -11.209 -12.471 1.00 0.00 O ATOM 714 CG2 THR B 27 -7.452 -10.553 -10.401 1.00 0.00 C ATOM 0 H THR B 27 -5.916 -12.331 -12.253 1.00 0.00 H new ATOM 0 HA THR B 27 -7.715 -13.406 -10.099 1.00 0.00 H new ATOM 0 HB THR B 27 -9.269 -11.686 -10.622 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.960 -10.344 -12.497 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.961 -9.590 -10.428 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.302 -10.855 -9.365 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.485 -10.466 -10.897 1.00 0.00 H new ATOM 722 N LYS B 28 -9.410 -14.279 -11.982 1.00 0.00 N ATOM 723 CA LYS B 28 -10.045 -15.177 -12.988 1.00 0.00 C ATOM 724 C LYS B 28 -11.567 -15.029 -12.910 1.00 0.00 C ATOM 725 O LYS B 28 -12.222 -15.753 -12.186 1.00 0.00 O ATOM 726 CB LYS B 28 -9.657 -16.628 -12.697 1.00 0.00 C ATOM 727 CG LYS B 28 -9.800 -16.906 -11.200 1.00 0.00 C ATOM 728 CD LYS B 28 -8.413 -16.988 -10.560 1.00 0.00 C ATOM 729 CE LYS B 28 -8.545 -17.463 -9.113 1.00 0.00 C ATOM 730 NZ LYS B 28 -7.188 -17.684 -8.537 1.00 0.00 N ATOM 0 H LYS B 28 -10.002 -14.026 -11.191 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.702 -14.905 -13.986 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.293 -17.306 -13.266 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.631 -16.812 -13.015 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.384 -16.116 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.340 -17.840 -11.043 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.781 -17.675 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.929 -16.012 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.086 -16.722 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.123 -18.386 -9.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.277 -18.007 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.688 -18.406 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.651 -16.794 -8.562 1.00 0.00 H new ATOM 744 N PRO B 29 -12.083 -14.089 -13.660 1.00 0.00 N ATOM 745 CA PRO B 29 -13.528 -13.811 -13.703 1.00 0.00 C ATOM 746 C PRO B 29 -14.249 -14.842 -14.577 1.00 0.00 C ATOM 747 O PRO B 29 -13.631 -15.666 -15.221 1.00 0.00 O ATOM 748 CB PRO B 29 -13.606 -12.416 -14.330 1.00 0.00 C ATOM 749 CG PRO B 29 -12.288 -12.218 -15.117 1.00 0.00 C ATOM 750 CD PRO B 29 -11.272 -13.218 -14.536 1.00 0.00 C ATOM 0 HA PRO B 29 -14.002 -13.862 -12.723 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.469 -12.335 -14.991 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -13.719 -11.651 -13.562 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.442 -12.397 -16.181 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.926 -11.195 -15.015 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.781 -13.790 -15.323 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.488 -12.709 -13.976 1.00 0.00 H new ATOM 758 N THR B 30 -15.554 -14.801 -14.602 1.00 0.00 N ATOM 759 CA THR B 30 -16.316 -15.776 -15.433 1.00 0.00 C ATOM 760 C THR B 30 -17.816 -15.550 -15.232 1.00 0.00 C ATOM 761 O THR B 30 -18.240 -15.501 -14.090 1.00 0.00 O ATOM 762 CB THR B 30 -15.953 -17.201 -15.011 1.00 0.00 C ATOM 763 OG1 THR B 30 -17.033 -18.072 -15.317 1.00 0.00 O ATOM 764 CG2 THR B 30 -15.677 -17.237 -13.508 1.00 0.00 C ATOM 765 OXT THR B 30 -18.514 -15.429 -16.225 1.00 0.00 O ATOM 0 H THR B 30 -16.125 -14.134 -14.083 1.00 0.00 H new ATOM 0 HA THR B 30 -16.064 -15.635 -16.484 1.00 0.00 H new ATOM 0 HB THR B 30 -15.061 -17.523 -15.548 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.802 -18.986 -15.049 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.419 -18.253 -13.210 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.849 -16.568 -13.274 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.567 -16.915 -12.967 1.00 0.00 H new TER 773 THR B 30