USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 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 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.017) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 1:sc= 0.192 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.14) USER MOD Single : A 18 ASN : amide:sc= 0.00676 X(o=0.0068,f=0) USER MOD Single : A 19 TYR OH : rot -76:sc= 0.895 USER MOD Single : A 21 ASN : amide:sc= 0.797 K(o=0.8,f=-0.32) USER MOD Single : B 1 PHE N :NH3+ -178:sc= 0.374 (180deg=0.083) USER MOD Single : B 3 ASN : amide:sc= -0.611 X(o=-0.61,f=-1) USER MOD Single : B 4 GLN : amide:sc= -0.166 K(o=-0.17,f=-6.6!) USER MOD Single : B 5 HIS : no HE2:sc= -5.64! C(o=-5.6!,f=-15!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HE2:sc= 0.0323 F(o=-2.3!,f=0.032) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 21:sc= -5.15! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0289 USER MOD Single : B 28 LYS NZ :NH3+ -109:sc= -0.0881 (180deg=-1.34!) USER MOD Single : B 30 THR OG1 : rot -150:sc= -0.424 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.777 6.093 5.448 1.00 0.00 N ATOM 2 CA GLY A 1 -5.655 5.183 4.588 1.00 0.00 C ATOM 3 C GLY A 1 -5.042 4.422 3.463 1.00 0.00 C ATOM 4 O GLY A 1 -3.922 3.958 3.551 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.359 6.545 6.182 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.029 5.529 5.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.345 6.825 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.126 4.459 5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.452 5.798 4.170 1.00 0.00 H new ATOM 10 N ILE A 2 -5.755 4.275 2.380 1.00 0.00 N ATOM 11 CA ILE A 2 -5.197 3.524 1.218 1.00 0.00 C ATOM 12 C ILE A 2 -4.797 4.510 0.118 1.00 0.00 C ATOM 13 O ILE A 2 -3.690 5.007 0.089 1.00 0.00 O ATOM 14 CB ILE A 2 -6.245 2.545 0.678 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.655 3.069 0.975 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.061 1.183 1.350 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.679 2.250 0.188 1.00 0.00 C ATOM 0 H ILE A 2 -6.698 4.641 2.249 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.319 2.963 1.540 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.119 2.446 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.862 3.001 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.728 4.122 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.806 0.485 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.062 0.803 1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.184 1.290 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.682 2.622 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.475 2.341 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.611 1.203 0.483 1.00 0.00 H new ATOM 29 N VAL A 3 -5.691 4.794 -0.791 1.00 0.00 N ATOM 30 CA VAL A 3 -5.361 5.743 -1.887 1.00 0.00 C ATOM 31 C VAL A 3 -5.041 7.120 -1.300 1.00 0.00 C ATOM 32 O VAL A 3 -4.535 7.991 -1.980 1.00 0.00 O ATOM 33 CB VAL A 3 -6.563 5.859 -2.826 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.357 7.037 -3.773 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.698 4.571 -3.639 1.00 0.00 C ATOM 0 H VAL A 3 -6.635 4.409 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.494 5.377 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.468 6.018 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.213 7.120 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.258 7.956 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.452 6.878 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.554 4.652 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.792 4.414 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.844 3.728 -2.964 1.00 0.00 H new ATOM 45 N GLU A 4 -5.335 7.329 -0.047 1.00 0.00 N ATOM 46 CA GLU A 4 -5.051 8.655 0.574 1.00 0.00 C ATOM 47 C GLU A 4 -3.593 8.706 1.035 1.00 0.00 C ATOM 48 O GLU A 4 -2.961 9.743 1.008 1.00 0.00 O ATOM 49 CB GLU A 4 -5.974 8.863 1.776 1.00 0.00 C ATOM 50 CG GLU A 4 -6.011 10.349 2.141 1.00 0.00 C ATOM 51 CD GLU A 4 -6.423 10.505 3.607 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.638 10.137 4.464 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.517 10.990 3.846 1.00 0.00 O ATOM 0 H GLU A 4 -5.759 6.640 0.574 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.225 9.442 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.978 8.510 1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.620 8.278 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.032 10.799 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.715 10.875 1.496 1.00 0.00 H new ATOM 60 N GLN A 5 -3.053 7.597 1.460 1.00 0.00 N ATOM 61 CA GLN A 5 -1.637 7.592 1.923 1.00 0.00 C ATOM 62 C GLN A 5 -0.727 7.124 0.786 1.00 0.00 C ATOM 63 O GLN A 5 0.430 7.490 0.714 1.00 0.00 O ATOM 64 CB GLN A 5 -1.491 6.643 3.114 1.00 0.00 C ATOM 65 CG GLN A 5 -0.177 6.935 3.839 1.00 0.00 C ATOM 66 CD GLN A 5 -0.244 6.378 5.263 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.595 5.596 5.662 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.217 6.749 6.050 1.00 0.00 N ATOM 0 H GLN A 5 -3.530 6.696 1.507 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.353 8.600 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.331 6.767 3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.508 5.608 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.656 6.484 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.005 8.009 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.922 7.406 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.273 6.382 7.000 1.00 0.00 H new ATOM 77 N CYS A 6 -1.237 6.319 -0.106 1.00 0.00 N ATOM 78 CA CYS A 6 -0.396 5.833 -1.234 1.00 0.00 C ATOM 79 C CYS A 6 -0.600 6.733 -2.455 1.00 0.00 C ATOM 80 O CYS A 6 -0.028 6.510 -3.504 1.00 0.00 O ATOM 81 CB CYS A 6 -0.789 4.395 -1.585 1.00 0.00 C ATOM 82 SG CYS A 6 -0.626 3.337 -0.121 1.00 0.00 S ATOM 0 H CYS A 6 -2.198 5.978 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 6 0.653 5.860 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.815 4.368 -1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.154 4.021 -2.388 1.00 0.00 H new ATOM 87 N CYS A 7 -1.409 7.749 -2.330 1.00 0.00 N ATOM 88 CA CYS A 7 -1.643 8.659 -3.483 1.00 0.00 C ATOM 89 C CYS A 7 -1.505 10.113 -3.026 1.00 0.00 C ATOM 90 O CYS A 7 -0.623 10.828 -3.455 1.00 0.00 O ATOM 91 CB CYS A 7 -3.049 8.435 -4.028 1.00 0.00 C ATOM 92 SG CYS A 7 -3.035 8.656 -5.821 1.00 0.00 S ATOM 0 H CYS A 7 -1.918 7.987 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.909 8.451 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.394 7.432 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.746 9.136 -3.569 1.00 0.00 H new ATOM 97 N THR A 8 -2.371 10.557 -2.156 1.00 0.00 N ATOM 98 CA THR A 8 -2.285 11.962 -1.674 1.00 0.00 C ATOM 99 C THR A 8 -1.006 12.139 -0.855 1.00 0.00 C ATOM 100 O THR A 8 -0.346 13.157 -0.925 1.00 0.00 O ATOM 101 CB THR A 8 -3.501 12.278 -0.800 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.689 11.928 -1.498 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.519 13.771 -0.475 1.00 0.00 C ATOM 0 H THR A 8 -3.133 10.007 -1.759 1.00 0.00 H new ATOM 0 HA THR A 8 -2.268 12.640 -2.527 1.00 0.00 H new ATOM 0 HB THR A 8 -3.443 11.706 0.126 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.468 12.128 -0.938 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.385 13.997 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.608 14.038 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.578 14.344 -1.400 1.00 0.00 H new ATOM 111 N SER A 9 -0.648 11.150 -0.082 1.00 0.00 N ATOM 112 CA SER A 9 0.590 11.254 0.737 1.00 0.00 C ATOM 113 C SER A 9 1.616 10.241 0.227 1.00 0.00 C ATOM 114 O SER A 9 1.581 9.833 -0.917 1.00 0.00 O ATOM 115 CB SER A 9 0.262 10.955 2.200 1.00 0.00 C ATOM 116 OG SER A 9 1.284 11.493 3.032 1.00 0.00 O ATOM 0 H SER A 9 -1.161 10.274 0.017 1.00 0.00 H new ATOM 0 HA SER A 9 0.998 12.262 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.703 11.388 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.181 9.879 2.354 1.00 0.00 H new ATOM 0 HG SER A 9 1.955 11.943 2.477 1.00 0.00 H new ATOM 122 N ILE A 10 2.528 9.827 1.064 1.00 0.00 N ATOM 123 CA ILE A 10 3.545 8.838 0.620 1.00 0.00 C ATOM 124 C ILE A 10 3.260 7.487 1.278 1.00 0.00 C ATOM 125 O ILE A 10 2.834 7.417 2.413 1.00 0.00 O ATOM 126 CB ILE A 10 4.936 9.319 1.033 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.316 10.552 0.210 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.951 8.207 0.779 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.525 11.762 0.710 1.00 0.00 C ATOM 0 H ILE A 10 2.611 10.132 2.034 1.00 0.00 H new ATOM 0 HA ILE A 10 3.502 8.733 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 10 4.933 9.577 2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.386 10.743 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.106 10.377 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.944 8.547 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.681 7.327 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.953 7.952 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.795 12.641 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.458 11.569 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.758 11.940 1.760 1.00 0.00 H new ATOM 141 N CYS A 11 3.491 6.413 0.576 1.00 0.00 N ATOM 142 CA CYS A 11 3.233 5.069 1.165 1.00 0.00 C ATOM 143 C CYS A 11 4.537 4.274 1.214 1.00 0.00 C ATOM 144 O CYS A 11 5.058 3.855 0.200 1.00 0.00 O ATOM 145 CB CYS A 11 2.211 4.320 0.307 1.00 0.00 C ATOM 146 SG CYS A 11 0.597 4.357 1.126 1.00 0.00 S ATOM 0 H CYS A 11 3.847 6.407 -0.380 1.00 0.00 H new ATOM 0 HA CYS A 11 2.841 5.187 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.141 4.779 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.531 3.289 0.157 1.00 0.00 H new ATOM 151 N SER A 12 5.068 4.061 2.387 1.00 0.00 N ATOM 152 CA SER A 12 6.336 3.291 2.498 1.00 0.00 C ATOM 153 C SER A 12 6.026 1.797 2.395 1.00 0.00 C ATOM 154 O SER A 12 5.167 1.285 3.085 1.00 0.00 O ATOM 155 CB SER A 12 6.993 3.586 3.848 1.00 0.00 C ATOM 156 OG SER A 12 6.474 2.697 4.828 1.00 0.00 O ATOM 0 H SER A 12 4.678 4.387 3.271 1.00 0.00 H new ATOM 0 HA SER A 12 7.014 3.580 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.074 3.471 3.772 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.802 4.619 4.140 1.00 0.00 H new ATOM 0 HG SER A 12 6.894 2.883 5.694 1.00 0.00 H new ATOM 162 N LEU A 13 6.714 1.096 1.534 1.00 0.00 N ATOM 163 CA LEU A 13 6.455 -0.364 1.381 1.00 0.00 C ATOM 164 C LEU A 13 6.253 -0.997 2.754 1.00 0.00 C ATOM 165 O LEU A 13 5.497 -1.935 2.911 1.00 0.00 O ATOM 166 CB LEU A 13 7.643 -1.025 0.687 1.00 0.00 C ATOM 167 CG LEU A 13 8.933 -0.618 1.397 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.398 -1.757 2.306 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.009 -0.326 0.353 1.00 0.00 C ATOM 0 H LEU A 13 7.445 1.472 0.930 1.00 0.00 H new ATOM 0 HA LEU A 13 5.557 -0.508 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.532 -2.109 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.680 -0.725 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 13 8.755 0.273 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.318 -1.466 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.627 -1.969 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.580 -2.649 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.932 -0.035 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.187 -1.219 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.677 0.485 -0.295 1.00 0.00 H new ATOM 181 N TYR A 14 6.919 -0.490 3.751 1.00 0.00 N ATOM 182 CA TYR A 14 6.756 -1.062 5.112 1.00 0.00 C ATOM 183 C TYR A 14 5.286 -0.964 5.517 1.00 0.00 C ATOM 184 O TYR A 14 4.667 -1.937 5.893 1.00 0.00 O ATOM 185 CB TYR A 14 7.614 -0.275 6.105 1.00 0.00 C ATOM 186 CG TYR A 14 8.161 -1.211 7.154 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.805 -2.396 6.771 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.027 -0.894 8.511 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.314 -3.263 7.747 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.535 -1.762 9.488 1.00 0.00 C ATOM 191 CZ TYR A 14 9.178 -2.946 9.105 1.00 0.00 C ATOM 192 OH TYR A 14 9.680 -3.800 10.067 1.00 0.00 O ATOM 0 H TYR A 14 7.568 0.294 3.682 1.00 0.00 H new ATOM 0 HA TYR A 14 7.072 -2.105 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.433 0.219 5.582 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.018 0.507 6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.909 -2.640 5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.532 0.020 8.805 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.811 -4.175 7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.431 -1.518 10.535 1.00 0.00 H new ATOM 0 HH TYR A 14 9.503 -3.431 10.957 1.00 0.00 H new ATOM 202 N GLN A 15 4.717 0.206 5.425 1.00 0.00 N ATOM 203 CA GLN A 15 3.284 0.364 5.795 1.00 0.00 C ATOM 204 C GLN A 15 2.428 -0.374 4.770 1.00 0.00 C ATOM 205 O GLN A 15 1.409 -0.954 5.094 1.00 0.00 O ATOM 206 CB GLN A 15 2.916 1.849 5.793 1.00 0.00 C ATOM 207 CG GLN A 15 3.801 2.594 6.794 1.00 0.00 C ATOM 208 CD GLN A 15 3.401 2.204 8.218 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.268 2.389 8.615 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.291 1.669 9.010 1.00 0.00 N ATOM 0 H GLN A 15 5.182 1.058 5.110 1.00 0.00 H new ATOM 0 HA GLN A 15 3.110 -0.047 6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.047 2.266 4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.866 1.975 6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.849 2.351 6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.696 3.670 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.242 1.514 8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.035 1.407 9.962 1.00 0.00 H new ATOM 219 N LEU A 16 2.839 -0.359 3.534 1.00 0.00 N ATOM 220 CA LEU A 16 2.063 -1.056 2.478 1.00 0.00 C ATOM 221 C LEU A 16 1.887 -2.525 2.847 1.00 0.00 C ATOM 222 O LEU A 16 0.838 -3.104 2.646 1.00 0.00 O ATOM 223 CB LEU A 16 2.838 -0.988 1.171 1.00 0.00 C ATOM 224 CG LEU A 16 2.563 0.339 0.482 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.317 0.359 -0.840 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.063 0.480 0.221 1.00 0.00 C ATOM 0 H LEU A 16 3.685 0.110 3.210 1.00 0.00 H new ATOM 0 HA LEU A 16 1.088 -0.579 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.906 -1.095 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.548 -1.813 0.521 1.00 0.00 H new ATOM 0 HG LEU A 16 2.891 1.165 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.132 1.304 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.385 0.251 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.974 -0.464 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.868 1.432 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.727 -0.336 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.524 0.445 1.168 1.00 0.00 H new ATOM 238 N GLU A 17 2.915 -3.140 3.358 1.00 0.00 N ATOM 239 CA GLU A 17 2.807 -4.578 3.705 1.00 0.00 C ATOM 240 C GLU A 17 1.582 -4.804 4.593 1.00 0.00 C ATOM 241 O GLU A 17 1.031 -5.887 4.645 1.00 0.00 O ATOM 242 CB GLU A 17 4.074 -5.034 4.437 1.00 0.00 C ATOM 243 CG GLU A 17 4.034 -4.564 5.894 1.00 0.00 C ATOM 244 CD GLU A 17 5.460 -4.325 6.393 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.382 -4.578 5.636 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.605 -3.891 7.524 1.00 0.00 O ATOM 0 H GLU A 17 3.820 -2.710 3.549 1.00 0.00 H new ATOM 0 HA GLU A 17 2.697 -5.160 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.155 -6.120 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.956 -4.631 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.451 -3.647 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.541 -5.312 6.515 1.00 0.00 H new ATOM 253 N ASN A 18 1.150 -3.792 5.293 1.00 0.00 N ATOM 254 CA ASN A 18 -0.039 -3.950 6.176 1.00 0.00 C ATOM 255 C ASN A 18 -1.264 -4.286 5.324 1.00 0.00 C ATOM 256 O ASN A 18 -2.295 -4.678 5.832 1.00 0.00 O ATOM 257 CB ASN A 18 -0.285 -2.646 6.937 1.00 0.00 C ATOM 258 CG ASN A 18 -0.823 -2.963 8.334 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.085 -2.947 9.299 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.086 -3.254 8.483 1.00 0.00 N ATOM 0 H ASN A 18 1.569 -2.862 5.292 1.00 0.00 H new ATOM 0 HA ASN A 18 0.139 -4.756 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.641 -2.077 7.013 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.997 -2.025 6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.454 -3.468 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.705 -3.267 7.673 1.00 0.00 H new ATOM 267 N TYR A 19 -1.160 -4.138 4.031 1.00 0.00 N ATOM 268 CA TYR A 19 -2.318 -4.453 3.150 1.00 0.00 C ATOM 269 C TYR A 19 -2.216 -5.903 2.671 1.00 0.00 C ATOM 270 O TYR A 19 -3.103 -6.416 2.019 1.00 0.00 O ATOM 271 CB TYR A 19 -2.312 -3.509 1.946 1.00 0.00 C ATOM 272 CG TYR A 19 -2.412 -2.082 2.427 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.201 -1.771 3.542 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.714 -1.065 1.761 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.294 -0.447 3.992 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.806 0.259 2.209 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.595 0.568 3.325 1.00 0.00 C ATOM 278 OH TYR A 19 -2.685 1.872 3.765 1.00 0.00 O ATOM 0 H TYR A 19 -0.323 -3.813 3.548 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.246 -4.323 3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.399 -3.646 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.147 -3.741 1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.739 -2.554 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.105 -1.303 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.903 -0.209 4.851 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.269 1.042 1.694 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.548 2.250 3.494 1.00 0.00 H new ATOM 288 N CYS A 20 -1.139 -6.568 2.990 1.00 0.00 N ATOM 289 CA CYS A 20 -0.979 -7.984 2.557 1.00 0.00 C ATOM 290 C CYS A 20 -2.129 -8.824 3.113 1.00 0.00 C ATOM 291 O CYS A 20 -2.702 -8.510 4.137 1.00 0.00 O ATOM 292 CB CYS A 20 0.350 -8.527 3.086 1.00 0.00 C ATOM 293 SG CYS A 20 1.127 -9.563 1.824 1.00 0.00 S ATOM 0 H CYS A 20 -0.362 -6.190 3.533 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.989 -8.035 1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.011 -7.702 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.182 -9.106 3.994 1.00 0.00 H new ATOM 298 N ASN A 21 -2.473 -9.891 2.444 1.00 0.00 N ATOM 299 CA ASN A 21 -3.585 -10.751 2.935 1.00 0.00 C ATOM 300 C ASN A 21 -3.199 -11.361 4.284 1.00 0.00 C ATOM 301 O ASN A 21 -3.509 -10.754 5.297 1.00 0.00 O ATOM 302 CB ASN A 21 -3.847 -11.870 1.926 1.00 0.00 C ATOM 303 CG ASN A 21 -5.351 -11.986 1.667 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.022 -12.803 2.265 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.914 -11.195 0.795 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.600 -12.424 4.282 1.00 0.00 O ATOM 0 H ASN A 21 -2.032 -10.203 1.579 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.486 -10.149 3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.322 -11.663 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.459 -12.815 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.916 -11.263 0.617 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.352 -10.508 0.292 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.553 3.940 1.104 1.00 0.00 N ATOM 315 CA PHE B 1 11.706 4.765 0.199 1.00 0.00 C ATOM 316 C PHE B 1 11.194 5.991 0.951 1.00 0.00 C ATOM 317 O PHE B 1 10.946 5.946 2.139 1.00 0.00 O ATOM 318 CB PHE B 1 10.518 3.933 -0.290 1.00 0.00 C ATOM 319 CG PHE B 1 10.995 2.923 -1.305 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.799 1.849 -0.900 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.635 3.060 -2.652 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.243 0.911 -1.842 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.078 2.122 -3.594 1.00 0.00 C ATOM 324 CZ PHE B 1 11.881 1.048 -3.189 1.00 0.00 C ATOM 0 H1 PHE B 1 12.928 3.124 0.580 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.343 4.515 1.460 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.981 3.604 1.905 1.00 0.00 H new ATOM 0 HA PHE B 1 12.300 5.088 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.046 3.425 0.551 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.764 4.582 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.077 1.744 0.138 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.016 3.888 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE B 1 12.863 0.084 -1.530 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.800 2.227 -4.632 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.221 0.325 -3.915 1.00 0.00 H new ATOM 336 N VAL B 2 11.040 7.088 0.267 1.00 0.00 N ATOM 337 CA VAL B 2 10.550 8.322 0.940 1.00 0.00 C ATOM 338 C VAL B 2 9.601 9.077 0.024 1.00 0.00 C ATOM 339 O VAL B 2 9.253 10.217 0.256 1.00 0.00 O ATOM 340 CB VAL B 2 11.738 9.209 1.254 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.338 10.259 2.286 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.885 8.357 1.802 1.00 0.00 C ATOM 0 H VAL B 2 11.232 7.184 -0.730 1.00 0.00 H new ATOM 0 HA VAL B 2 10.023 8.049 1.854 1.00 0.00 H new ATOM 0 HB VAL B 2 12.065 9.709 0.342 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.195 10.895 2.509 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.527 10.869 1.889 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.006 9.764 3.199 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.738 8.997 2.027 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.560 7.852 2.712 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.174 7.615 1.058 1.00 0.00 H new ATOM 352 N ASN B 3 9.189 8.438 -1.007 1.00 0.00 N ATOM 353 CA ASN B 3 8.258 9.075 -1.977 1.00 0.00 C ATOM 354 C ASN B 3 7.617 8.001 -2.853 1.00 0.00 C ATOM 355 O ASN B 3 8.290 7.297 -3.580 1.00 0.00 O ATOM 356 CB ASN B 3 9.031 10.057 -2.861 1.00 0.00 C ATOM 357 CG ASN B 3 10.323 9.397 -3.345 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.318 8.666 -4.316 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.437 9.624 -2.707 1.00 0.00 N ATOM 0 H ASN B 3 9.456 7.480 -1.236 1.00 0.00 H new ATOM 0 HA ASN B 3 7.481 9.611 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.420 10.354 -3.713 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.260 10.964 -2.302 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.303 9.188 -3.023 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.442 10.237 -1.892 1.00 0.00 H new ATOM 366 N GLN B 4 6.322 7.867 -2.792 1.00 0.00 N ATOM 367 CA GLN B 4 5.645 6.837 -3.624 1.00 0.00 C ATOM 368 C GLN B 4 4.163 7.186 -3.767 1.00 0.00 C ATOM 369 O GLN B 4 3.297 6.358 -3.566 1.00 0.00 O ATOM 370 CB GLN B 4 5.785 5.472 -2.952 1.00 0.00 C ATOM 371 CG GLN B 4 6.071 4.416 -4.019 1.00 0.00 C ATOM 372 CD GLN B 4 5.028 3.301 -3.927 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.363 2.134 -3.994 1.00 0.00 O ATOM 374 NE2 GLN B 4 3.770 3.611 -3.776 1.00 0.00 N ATOM 0 H GLN B 4 5.705 8.426 -2.203 1.00 0.00 H new ATOM 0 HA GLN B 4 6.105 6.807 -4.612 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.592 5.495 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.871 5.223 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.047 4.869 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.071 4.005 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN B 4 3.489 4.590 -3.720 1.00 0.00 H new ATOM 0 HE22 GLN B 4 3.067 2.874 -3.714 1.00 0.00 H new ATOM 383 N HIS B 5 3.869 8.404 -4.119 1.00 0.00 N ATOM 384 CA HIS B 5 2.442 8.808 -4.285 1.00 0.00 C ATOM 385 C HIS B 5 1.898 8.183 -5.570 1.00 0.00 C ATOM 386 O HIS B 5 2.042 8.733 -6.644 1.00 0.00 O ATOM 387 CB HIS B 5 2.338 10.334 -4.382 1.00 0.00 C ATOM 388 CG HIS B 5 3.454 10.979 -3.605 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.764 10.890 -4.021 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.438 11.719 -2.455 1.00 0.00 C ATOM 391 CE1 HIS B 5 5.498 11.570 -3.128 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.729 12.096 -2.152 1.00 0.00 N ATOM 0 H HIS B 5 4.553 9.139 -4.300 1.00 0.00 H new ATOM 0 HA HIS B 5 1.865 8.465 -3.426 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.385 10.644 -5.426 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.375 10.666 -3.994 1.00 0.00 H new ATOM 0 HD1 HIS B 5 5.109 10.402 -4.848 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.559 11.967 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.571 11.683 -3.183 1.00 0.00 H new ATOM 400 N LEU B 6 1.290 7.030 -5.480 1.00 0.00 N ATOM 401 CA LEU B 6 0.765 6.373 -6.711 1.00 0.00 C ATOM 402 C LEU B 6 -0.734 6.081 -6.573 1.00 0.00 C ATOM 403 O LEU B 6 -1.310 6.195 -5.509 1.00 0.00 O ATOM 404 CB LEU B 6 1.513 5.058 -6.934 1.00 0.00 C ATOM 405 CG LEU B 6 2.670 5.279 -7.911 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.422 6.562 -7.553 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.631 4.095 -7.829 1.00 0.00 C ATOM 0 H LEU B 6 1.135 6.517 -4.612 1.00 0.00 H new ATOM 0 HA LEU B 6 0.915 7.043 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.893 4.680 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.832 4.304 -7.328 1.00 0.00 H new ATOM 0 HG LEU B 6 2.272 5.367 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.243 6.710 -8.254 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.740 7.411 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.819 6.481 -6.541 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.457 4.248 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.021 4.012 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.102 3.178 -8.091 1.00 0.00 H new ATOM 419 N CYS B 7 -1.356 5.693 -7.653 1.00 0.00 N ATOM 420 CA CYS B 7 -2.813 5.368 -7.629 1.00 0.00 C ATOM 421 C CYS B 7 -3.109 4.272 -8.650 1.00 0.00 C ATOM 422 O CYS B 7 -2.213 3.666 -9.204 1.00 0.00 O ATOM 423 CB CYS B 7 -3.635 6.612 -7.975 1.00 0.00 C ATOM 424 SG CYS B 7 -4.370 7.295 -6.471 1.00 0.00 S ATOM 0 H CYS B 7 -0.911 5.586 -8.564 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.082 5.025 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.000 7.358 -8.452 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.417 6.356 -8.689 1.00 0.00 H new ATOM 429 N GLY B 8 -4.363 4.014 -8.902 1.00 0.00 N ATOM 430 CA GLY B 8 -4.727 2.958 -9.888 1.00 0.00 C ATOM 431 C GLY B 8 -3.835 1.733 -9.681 1.00 0.00 C ATOM 432 O GLY B 8 -3.231 1.559 -8.640 1.00 0.00 O ATOM 0 H GLY B 8 -5.153 4.490 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.775 2.682 -9.770 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.610 3.338 -10.903 1.00 0.00 H new ATOM 436 N SER B 9 -3.749 0.882 -10.664 1.00 0.00 N ATOM 437 CA SER B 9 -2.898 -0.331 -10.524 1.00 0.00 C ATOM 438 C SER B 9 -1.485 0.083 -10.100 1.00 0.00 C ATOM 439 O SER B 9 -0.743 -0.693 -9.533 1.00 0.00 O ATOM 440 CB SER B 9 -2.830 -1.065 -11.861 1.00 0.00 C ATOM 441 OG SER B 9 -2.578 -0.130 -12.900 1.00 0.00 O ATOM 0 H SER B 9 -4.231 0.974 -11.558 1.00 0.00 H new ATOM 0 HA SER B 9 -3.328 -0.989 -9.769 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.042 -1.818 -11.835 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.767 -1.590 -12.048 1.00 0.00 H new ATOM 0 HG SER B 9 -2.532 -0.600 -13.759 1.00 0.00 H new ATOM 447 N HIS B 10 -1.106 1.301 -10.373 1.00 0.00 N ATOM 448 CA HIS B 10 0.261 1.759 -9.993 1.00 0.00 C ATOM 449 C HIS B 10 0.455 1.637 -8.481 1.00 0.00 C ATOM 450 O HIS B 10 1.334 0.940 -8.017 1.00 0.00 O ATOM 451 CB HIS B 10 0.453 3.221 -10.409 1.00 0.00 C ATOM 452 CG HIS B 10 -0.246 3.478 -11.715 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.515 3.914 -11.985 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.391 3.286 -12.923 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.673 3.996 -13.352 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.494 3.606 -13.878 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.683 1.999 -10.842 1.00 0.00 H new ATOM 0 HA HIS B 10 0.994 1.134 -10.503 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.057 3.882 -9.638 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.516 3.444 -10.505 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -2.226 4.141 -11.290 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.405 2.945 -13.071 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.556 4.308 -13.889 1.00 0.00 H new ATOM 464 N LEU B 11 -0.345 2.319 -7.707 1.00 0.00 N ATOM 465 CA LEU B 11 -0.182 2.244 -6.230 1.00 0.00 C ATOM 466 C LEU B 11 -0.228 0.783 -5.772 1.00 0.00 C ATOM 467 O LEU B 11 0.446 0.397 -4.838 1.00 0.00 O ATOM 468 CB LEU B 11 -1.286 3.047 -5.546 1.00 0.00 C ATOM 469 CG LEU B 11 -2.542 2.198 -5.402 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.529 1.498 -4.044 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.753 3.105 -5.492 1.00 0.00 C ATOM 0 H LEU B 11 -1.101 2.922 -8.033 1.00 0.00 H new ATOM 0 HA LEU B 11 0.784 2.667 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.949 3.380 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.508 3.942 -6.127 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.579 1.448 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.428 0.890 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.648 0.860 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.502 2.244 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.661 2.511 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.713 3.846 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.757 3.612 -6.457 1.00 0.00 H new ATOM 483 N VAL B 12 -1.008 -0.038 -6.423 1.00 0.00 N ATOM 484 CA VAL B 12 -1.064 -1.468 -6.005 1.00 0.00 C ATOM 485 C VAL B 12 0.114 -2.206 -6.619 1.00 0.00 C ATOM 486 O VAL B 12 0.692 -3.071 -6.004 1.00 0.00 O ATOM 487 CB VAL B 12 -2.376 -2.141 -6.426 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.304 -2.223 -5.224 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.069 -1.338 -7.519 1.00 0.00 C ATOM 0 H VAL B 12 -1.600 0.214 -7.214 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.015 -1.507 -4.917 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.147 -3.137 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.239 -2.701 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.829 -2.808 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.511 -1.219 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.997 -1.834 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.291 -0.337 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.416 -1.268 -8.389 1.00 0.00 H new ATOM 499 N GLU B 13 0.503 -1.856 -7.815 1.00 0.00 N ATOM 500 CA GLU B 13 1.677 -2.536 -8.424 1.00 0.00 C ATOM 501 C GLU B 13 2.779 -2.551 -7.370 1.00 0.00 C ATOM 502 O GLU B 13 3.578 -3.463 -7.289 1.00 0.00 O ATOM 503 CB GLU B 13 2.145 -1.771 -9.661 1.00 0.00 C ATOM 504 CG GLU B 13 1.355 -2.243 -10.883 1.00 0.00 C ATOM 505 CD GLU B 13 1.604 -3.736 -11.108 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.750 -4.100 -11.315 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.646 -4.489 -11.068 1.00 0.00 O ATOM 0 H GLU B 13 0.063 -1.137 -8.390 1.00 0.00 H new ATOM 0 HA GLU B 13 1.421 -3.549 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.003 -0.700 -9.515 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.211 -1.933 -9.820 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.291 -2.060 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.656 -1.677 -11.764 1.00 0.00 H new ATOM 514 N ALA B 14 2.783 -1.551 -6.529 1.00 0.00 N ATOM 515 CA ALA B 14 3.781 -1.496 -5.433 1.00 0.00 C ATOM 516 C ALA B 14 3.364 -2.534 -4.394 1.00 0.00 C ATOM 517 O ALA B 14 4.150 -3.361 -3.975 1.00 0.00 O ATOM 518 CB ALA B 14 3.779 -0.100 -4.805 1.00 0.00 C ATOM 0 H ALA B 14 2.131 -0.767 -6.558 1.00 0.00 H new ATOM 0 HA ALA B 14 4.784 -1.703 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.513 -0.062 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.033 0.640 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.789 0.117 -4.404 1.00 0.00 H new ATOM 524 N LEU B 15 2.114 -2.520 -4.003 1.00 0.00 N ATOM 525 CA LEU B 15 1.639 -3.535 -3.021 1.00 0.00 C ATOM 526 C LEU B 15 1.794 -4.913 -3.658 1.00 0.00 C ATOM 527 O LEU B 15 2.299 -5.843 -3.063 1.00 0.00 O ATOM 528 CB LEU B 15 0.166 -3.286 -2.703 1.00 0.00 C ATOM 529 CG LEU B 15 0.066 -2.300 -1.545 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.392 -1.890 -1.353 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.581 -2.966 -0.266 1.00 0.00 C ATOM 0 H LEU B 15 1.409 -1.854 -4.320 1.00 0.00 H new ATOM 0 HA LEU B 15 2.217 -3.473 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.346 -2.890 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.326 -4.223 -2.443 1.00 0.00 H new ATOM 0 HG LEU B 15 0.666 -1.417 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.466 -1.185 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.761 -1.419 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.992 -2.773 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.511 -2.263 0.564 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.021 -3.848 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.621 -3.262 -0.403 1.00 0.00 H new ATOM 543 N TYR B 16 1.373 -5.028 -4.884 1.00 0.00 N ATOM 544 CA TYR B 16 1.489 -6.314 -5.618 1.00 0.00 C ATOM 545 C TYR B 16 2.891 -6.885 -5.406 1.00 0.00 C ATOM 546 O TYR B 16 3.093 -8.083 -5.397 1.00 0.00 O ATOM 547 CB TYR B 16 1.262 -6.040 -7.107 1.00 0.00 C ATOM 548 CG TYR B 16 0.287 -7.041 -7.668 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.480 -8.407 -7.441 1.00 0.00 C ATOM 550 CD2 TYR B 16 -0.813 -6.601 -8.417 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.426 -9.339 -7.964 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.720 -7.532 -8.940 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.527 -8.901 -8.713 1.00 0.00 C ATOM 554 OH TYR B 16 -2.420 -9.818 -9.228 1.00 0.00 O ATOM 0 H TYR B 16 0.946 -4.271 -5.417 1.00 0.00 H new ATOM 0 HA TYR B 16 0.752 -7.030 -5.255 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.879 -5.029 -7.246 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.208 -6.099 -7.645 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.328 -8.744 -6.862 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.961 -5.545 -8.591 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.276 -10.394 -7.790 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.568 -7.194 -9.518 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.125 -9.347 -9.720 1.00 0.00 H new ATOM 564 N LEU B 17 3.864 -6.032 -5.235 1.00 0.00 N ATOM 565 CA LEU B 17 5.255 -6.514 -5.021 1.00 0.00 C ATOM 566 C LEU B 17 5.476 -6.788 -3.532 1.00 0.00 C ATOM 567 O LEU B 17 6.024 -7.804 -3.153 1.00 0.00 O ATOM 568 CB LEU B 17 6.241 -5.444 -5.493 1.00 0.00 C ATOM 569 CG LEU B 17 7.523 -6.117 -5.977 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.760 -5.768 -7.447 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.705 -5.625 -5.138 1.00 0.00 C ATOM 0 H LEU B 17 3.753 -5.018 -5.235 1.00 0.00 H new ATOM 0 HA LEU B 17 5.414 -7.432 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.799 -4.856 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.464 -4.754 -4.679 1.00 0.00 H new ATOM 0 HG LEU B 17 7.428 -7.198 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.675 -6.249 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.919 -6.119 -8.044 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.855 -4.687 -7.554 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.621 -6.105 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.800 -4.544 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.537 -5.875 -4.090 1.00 0.00 H new ATOM 583 N VAL B 18 5.051 -5.890 -2.684 1.00 0.00 N ATOM 584 CA VAL B 18 5.235 -6.102 -1.221 1.00 0.00 C ATOM 585 C VAL B 18 4.868 -7.549 -0.874 1.00 0.00 C ATOM 586 O VAL B 18 5.591 -8.238 -0.183 1.00 0.00 O ATOM 587 CB VAL B 18 4.343 -5.110 -0.450 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.999 -5.750 -0.077 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.064 -4.672 0.827 1.00 0.00 C ATOM 0 H VAL B 18 4.585 -5.020 -2.942 1.00 0.00 H new ATOM 0 HA VAL B 18 6.274 -5.928 -0.940 1.00 0.00 H new ATOM 0 HB VAL B 18 4.150 -4.250 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.390 -5.027 0.466 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.477 -6.055 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.174 -6.623 0.552 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.437 -3.970 1.376 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.263 -5.544 1.450 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.006 -4.190 0.566 1.00 0.00 H new ATOM 599 N CYS B 19 3.747 -8.008 -1.355 1.00 0.00 N ATOM 600 CA CYS B 19 3.323 -9.405 -1.065 1.00 0.00 C ATOM 601 C CYS B 19 3.929 -10.347 -2.109 1.00 0.00 C ATOM 602 O CYS B 19 4.834 -11.106 -1.823 1.00 0.00 O ATOM 603 CB CYS B 19 1.798 -9.490 -1.119 1.00 0.00 C ATOM 604 SG CYS B 19 1.096 -8.420 0.158 1.00 0.00 S ATOM 0 H CYS B 19 3.104 -7.473 -1.939 1.00 0.00 H new ATOM 0 HA CYS B 19 3.668 -9.696 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.440 -9.186 -2.102 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.474 -10.519 -0.966 1.00 0.00 H new HETATM 609 N DAL B 20 3.444 -10.299 -3.319 1.00 0.00 N HETATM 610 CA DAL B 20 3.999 -11.182 -4.381 1.00 0.00 C HETATM 611 CB DAL B 20 3.778 -10.535 -5.749 1.00 0.00 C HETATM 612 C DAL B 20 3.307 -12.548 -4.347 1.00 0.00 C HETATM 613 O DAL B 20 2.805 -13.020 -5.346 1.00 0.00 O HETATM 0 HB3 DAL B 20 2.710 -10.393 -5.916 1.00 0.00 H new HETATM 0 HB2 DAL B 20 4.282 -9.569 -5.780 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.184 -11.181 -6.527 1.00 0.00 H new HETATM 0 HA DAL B 20 5.066 -11.319 -4.206 1.00 0.00 H new HETATM 0 H DAL B 20 3.002 -9.415 -3.570 1.00 0.00 H new ATOM 619 N GLU B 21 3.283 -13.191 -3.210 1.00 0.00 N ATOM 620 CA GLU B 21 2.630 -14.530 -3.133 1.00 0.00 C ATOM 621 C GLU B 21 1.553 -14.529 -2.046 1.00 0.00 C ATOM 622 O GLU B 21 0.776 -15.455 -1.933 1.00 0.00 O ATOM 623 CB GLU B 21 3.684 -15.589 -2.803 1.00 0.00 C ATOM 624 CG GLU B 21 3.021 -16.967 -2.739 1.00 0.00 C ATOM 625 CD GLU B 21 3.968 -18.018 -3.320 1.00 0.00 C ATOM 626 OE1 GLU B 21 4.922 -17.631 -3.973 1.00 0.00 O ATOM 627 OE2 GLU B 21 3.723 -19.193 -3.102 1.00 0.00 O ATOM 0 H GLU B 21 3.684 -12.850 -2.337 1.00 0.00 H new ATOM 0 HA GLU B 21 2.166 -14.756 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.468 -15.586 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.161 -15.358 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.774 -17.216 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.085 -16.958 -3.297 1.00 0.00 H new ATOM 634 N ARG B 22 1.498 -13.503 -1.241 1.00 0.00 N ATOM 635 CA ARG B 22 0.467 -13.460 -0.168 1.00 0.00 C ATOM 636 C ARG B 22 -0.901 -13.175 -0.783 1.00 0.00 C ATOM 637 O ARG B 22 -1.842 -13.924 -0.607 1.00 0.00 O ATOM 638 CB ARG B 22 0.814 -12.356 0.833 1.00 0.00 C ATOM 639 CG ARG B 22 0.869 -12.945 2.244 1.00 0.00 C ATOM 640 CD ARG B 22 2.079 -12.376 2.988 1.00 0.00 C ATOM 641 NE ARG B 22 2.977 -13.492 3.398 1.00 0.00 N ATOM 642 CZ ARG B 22 4.018 -13.792 2.670 1.00 0.00 C ATOM 643 NH1 ARG B 22 4.922 -12.885 2.420 1.00 0.00 N ATOM 644 NH2 ARG B 22 4.152 -14.999 2.192 1.00 0.00 N ATOM 0 H ARG B 22 2.120 -12.696 -1.280 1.00 0.00 H new ATOM 0 HA ARG B 22 0.442 -14.421 0.345 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.774 -11.907 0.577 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.069 -11.562 0.788 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.048 -12.708 2.784 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.938 -14.032 2.193 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.618 -11.677 2.348 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.751 -11.817 3.865 1.00 0.00 H new ATOM 0 HE ARG B 22 2.778 -14.021 4.247 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.815 -11.942 2.793 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.736 -13.119 1.851 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.444 -15.706 2.387 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.965 -15.235 1.623 1.00 0.00 H new HETATM 658 N DAL B 23 -1.022 -12.096 -1.507 1.00 0.00 N HETATM 659 CA DAL B 23 -2.331 -11.763 -2.135 1.00 0.00 C HETATM 660 CB DAL B 23 -2.125 -11.479 -3.624 1.00 0.00 C HETATM 661 C DAL B 23 -2.919 -10.524 -1.455 1.00 0.00 C HETATM 662 O DAL B 23 -3.969 -10.579 -0.849 1.00 0.00 O HETATM 0 HB3 DAL B 23 -1.441 -10.639 -3.743 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -1.704 -12.360 -4.108 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.083 -11.235 -4.084 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.016 -12.603 -2.018 1.00 0.00 H new HETATM 0 H DAL B 23 -0.173 -12.106 -2.072 1.00 0.00 H new ATOM 668 N PHE B 24 -2.252 -9.407 -1.555 1.00 0.00 N ATOM 669 CA PHE B 24 -2.776 -8.167 -0.918 1.00 0.00 C ATOM 670 C PHE B 24 -4.220 -7.934 -1.374 1.00 0.00 C ATOM 671 O PHE B 24 -4.811 -8.761 -2.039 1.00 0.00 O ATOM 672 CB PHE B 24 -1.905 -6.974 -1.332 1.00 0.00 C ATOM 673 CG PHE B 24 -2.248 -6.563 -2.745 1.00 0.00 C ATOM 674 CD1 PHE B 24 -3.264 -5.627 -2.971 1.00 0.00 C ATOM 675 CD2 PHE B 24 -1.556 -7.123 -3.827 1.00 0.00 C ATOM 676 CE1 PHE B 24 -3.590 -5.249 -4.280 1.00 0.00 C ATOM 677 CE2 PHE B 24 -1.883 -6.747 -5.136 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.901 -5.810 -5.363 1.00 0.00 C ATOM 0 H PHE B 24 -1.367 -9.300 -2.050 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.751 -8.273 0.167 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.066 -6.139 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.850 -7.240 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.797 -5.196 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.771 -7.844 -3.652 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.372 -4.525 -4.454 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.351 -7.179 -5.971 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.154 -5.521 -6.372 1.00 0.00 H new ATOM 688 N PHE B 25 -4.790 -6.812 -1.029 1.00 0.00 N ATOM 689 CA PHE B 25 -6.190 -6.532 -1.452 1.00 0.00 C ATOM 690 C PHE B 25 -6.441 -5.025 -1.436 1.00 0.00 C ATOM 691 O PHE B 25 -6.547 -4.412 -0.394 1.00 0.00 O ATOM 692 CB PHE B 25 -7.159 -7.225 -0.497 1.00 0.00 C ATOM 693 CG PHE B 25 -6.803 -6.874 0.929 1.00 0.00 C ATOM 694 CD1 PHE B 25 -5.736 -7.522 1.565 1.00 0.00 C ATOM 695 CD2 PHE B 25 -7.541 -5.901 1.616 1.00 0.00 C ATOM 696 CE1 PHE B 25 -5.406 -7.197 2.888 1.00 0.00 C ATOM 697 CE2 PHE B 25 -7.213 -5.576 2.939 1.00 0.00 C ATOM 698 CZ PHE B 25 -6.145 -6.223 3.575 1.00 0.00 C ATOM 0 H PHE B 25 -4.348 -6.079 -0.474 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.345 -6.910 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.182 -6.917 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.115 -8.305 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.167 -8.272 1.036 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.363 -5.401 1.126 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.583 -7.696 3.378 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.783 -4.827 3.468 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.891 -5.972 4.594 1.00 0.00 H new ATOM 708 N TYR B 26 -6.543 -4.426 -2.590 1.00 0.00 N ATOM 709 CA TYR B 26 -6.792 -2.960 -2.651 1.00 0.00 C ATOM 710 C TYR B 26 -8.258 -2.712 -3.001 1.00 0.00 C ATOM 711 O TYR B 26 -8.817 -3.354 -3.868 1.00 0.00 O ATOM 712 CB TYR B 26 -5.905 -2.335 -3.721 1.00 0.00 C ATOM 713 CG TYR B 26 -5.596 -0.908 -3.339 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.619 -0.636 -2.373 1.00 0.00 C ATOM 715 CD2 TYR B 26 -6.293 0.144 -3.948 1.00 0.00 C ATOM 716 CE1 TYR B 26 -4.338 0.689 -2.016 1.00 0.00 C ATOM 717 CE2 TYR B 26 -6.010 1.470 -3.591 1.00 0.00 C ATOM 718 CZ TYR B 26 -5.034 1.742 -2.625 1.00 0.00 C ATOM 719 OH TYR B 26 -4.756 3.048 -2.273 1.00 0.00 O ATOM 0 H TYR B 26 -6.464 -4.890 -3.495 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.563 -2.512 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.981 -2.905 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.406 -2.365 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.083 -1.447 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.047 -0.066 -4.692 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.585 0.899 -1.271 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.545 2.282 -4.061 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.866 3.095 -1.866 1.00 0.00 H new ATOM 729 N THR B 27 -8.884 -1.787 -2.334 1.00 0.00 N ATOM 730 CA THR B 27 -10.313 -1.502 -2.626 1.00 0.00 C ATOM 731 C THR B 27 -10.427 -0.212 -3.438 1.00 0.00 C ATOM 732 O THR B 27 -10.761 0.835 -2.919 1.00 0.00 O ATOM 733 CB THR B 27 -11.067 -1.350 -1.308 1.00 0.00 C ATOM 734 OG1 THR B 27 -10.154 -0.993 -0.279 1.00 0.00 O ATOM 735 CG2 THR B 27 -11.739 -2.675 -0.958 1.00 0.00 C ATOM 0 H THR B 27 -8.468 -1.216 -1.599 1.00 0.00 H new ATOM 0 HA THR B 27 -10.741 -2.322 -3.203 1.00 0.00 H new ATOM 0 HB THR B 27 -11.824 -0.571 -1.405 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.638 -0.893 0.567 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.279 -2.572 -0.017 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.437 -2.949 -1.749 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.981 -3.452 -0.858 1.00 0.00 H new ATOM 743 N LYS B 28 -10.152 -0.281 -4.710 1.00 0.00 N ATOM 744 CA LYS B 28 -10.245 0.938 -5.561 1.00 0.00 C ATOM 745 C LYS B 28 -11.702 1.172 -6.000 1.00 0.00 C ATOM 746 O LYS B 28 -12.180 2.288 -5.936 1.00 0.00 O ATOM 747 CB LYS B 28 -9.341 0.779 -6.792 1.00 0.00 C ATOM 748 CG LYS B 28 -9.728 1.805 -7.861 1.00 0.00 C ATOM 749 CD LYS B 28 -8.475 2.250 -8.619 1.00 0.00 C ATOM 750 CE LYS B 28 -8.778 2.309 -10.117 1.00 0.00 C ATOM 751 NZ LYS B 28 -8.145 3.525 -10.702 1.00 0.00 N ATOM 0 H LYS B 28 -9.866 -1.130 -5.198 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.914 1.801 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -8.298 0.914 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.434 -0.230 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.449 1.370 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.210 2.665 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.151 3.228 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.657 1.555 -8.430 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.399 1.415 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.855 2.332 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.883 4.215 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.496 3.947 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.614 3.263 -11.557 1.00 0.00 H new ATOM 765 N PRO B 29 -12.373 0.128 -6.431 1.00 0.00 N ATOM 766 CA PRO B 29 -13.773 0.230 -6.878 1.00 0.00 C ATOM 767 C PRO B 29 -14.713 0.279 -5.670 1.00 0.00 C ATOM 768 O PRO B 29 -15.900 0.503 -5.802 1.00 0.00 O ATOM 769 CB PRO B 29 -13.989 -1.050 -7.690 1.00 0.00 C ATOM 770 CG PRO B 29 -12.923 -2.060 -7.203 1.00 0.00 C ATOM 771 CD PRO B 29 -11.816 -1.240 -6.516 1.00 0.00 C ATOM 0 HA PRO B 29 -13.975 1.131 -7.458 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.994 -1.442 -7.537 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -13.882 -0.856 -8.757 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.359 -2.778 -6.509 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.519 -2.630 -8.040 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.583 -1.636 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.892 -1.258 -7.093 1.00 0.00 H new ATOM 779 N THR B 30 -14.191 0.071 -4.492 1.00 0.00 N ATOM 780 CA THR B 30 -15.050 0.106 -3.277 1.00 0.00 C ATOM 781 C THR B 30 -14.675 1.318 -2.423 1.00 0.00 C ATOM 782 O THR B 30 -15.213 1.441 -1.334 1.00 0.00 O ATOM 783 CB THR B 30 -14.837 -1.173 -2.466 1.00 0.00 C ATOM 784 OG1 THR B 30 -14.054 -2.086 -3.223 1.00 0.00 O ATOM 785 CG2 THR B 30 -16.190 -1.805 -2.143 1.00 0.00 C ATOM 786 OXT THR B 30 -13.854 2.103 -2.870 1.00 0.00 O ATOM 0 H THR B 30 -13.204 -0.122 -4.320 1.00 0.00 H new ATOM 0 HA THR B 30 -16.096 0.179 -3.573 1.00 0.00 H new ATOM 0 HB THR B 30 -14.320 -0.933 -1.537 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.294 -3.004 -2.978 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.037 -2.716 -1.565 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.790 -1.104 -1.563 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.710 -2.046 -3.070 1.00 0.00 H new TER 794 THR B 30