USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 hydrogens (11 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: A 2 IIL H : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.124 (180deg=-0.124) 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= -1.97! 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 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.54 F(o=-4!,f=-1.5) USER MOD Single : B 1 PHE N :NH3+ -156:sc= 0.0197 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.679 K(o=-0.68,f=-2.3!) USER MOD Single : B 4 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -4.68 K(o=-4.7,f=-5.7!) 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 165:sc= -0.757 USER MOD Single : B 27 THR OG1 : rot 147:sc= -1.92 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 -7.258 2.857 -0.528 1.00 0.00 N ATOM 2 CA GLY A 1 -6.759 3.787 -1.635 1.00 0.00 C ATOM 3 C GLY A 1 -5.380 3.607 -2.172 1.00 0.00 C ATOM 4 O GLY A 1 -4.712 4.556 -2.529 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.232 3.116 -0.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.239 1.874 -0.866 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.643 2.948 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.451 3.700 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.835 4.809 -1.264 1.00 0.00 H new HETATM 10 N IIL A 2 -4.917 2.388 -2.243 1.00 0.00 N HETATM 11 CA IIL A 2 -3.545 2.145 -2.771 1.00 0.00 C HETATM 12 C IIL A 2 -3.359 2.922 -4.076 1.00 0.00 C HETATM 13 O IIL A 2 -2.305 3.462 -4.346 1.00 0.00 O HETATM 14 CB IIL A 2 -3.357 0.648 -3.034 1.00 0.00 C HETATM 15 CG2 IIL A 2 -2.106 0.428 -3.886 1.00 0.00 C HETATM 16 CG1 IIL A 2 -4.580 0.105 -3.773 1.00 0.00 C HETATM 17 CD1 IIL A 2 -4.308 -1.332 -4.221 1.00 0.00 C HETATM 0 HG23 IIL A 2 -2.216 0.951 -4.836 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -1.234 0.814 -3.358 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -1.975 -0.638 -4.071 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -5.454 0.135 -3.123 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -4.804 0.731 -4.637 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -3.445 -1.348 -4.886 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -4.106 -1.953 -3.348 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -5.180 -1.720 -4.748 1.00 0.00 H new HETATM 0 HB IIL A 2 -3.242 0.125 -2.084 1.00 0.00 H new HETATM 0 HA IIL A 2 -2.808 2.479 -2.041 1.00 0.00 H new HETATM 0 H2 IIL A 2 -5.215 1.945 -1.374 1.00 0.00 H new ATOM 29 N VAL A 3 -4.378 2.983 -4.890 1.00 0.00 N ATOM 30 CA VAL A 3 -4.262 3.723 -6.175 1.00 0.00 C ATOM 31 C VAL A 3 -4.354 5.226 -5.909 1.00 0.00 C ATOM 32 O VAL A 3 -3.627 6.014 -6.478 1.00 0.00 O ATOM 33 CB VAL A 3 -5.397 3.300 -7.106 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.196 3.940 -8.479 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.398 1.777 -7.250 1.00 0.00 C ATOM 0 H VAL A 3 -5.286 2.551 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.303 3.496 -6.641 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.349 3.627 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.006 3.638 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.195 5.025 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.244 3.614 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.208 1.475 -7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.445 1.450 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.542 1.319 -6.271 1.00 0.00 H new ATOM 45 N GLU A 4 -5.247 5.631 -5.047 1.00 0.00 N ATOM 46 CA GLU A 4 -5.385 7.083 -4.746 1.00 0.00 C ATOM 47 C GLU A 4 -4.197 7.546 -3.898 1.00 0.00 C ATOM 48 O GLU A 4 -4.054 8.715 -3.601 1.00 0.00 O ATOM 49 CB GLU A 4 -6.688 7.323 -3.978 1.00 0.00 C ATOM 50 CG GLU A 4 -7.842 7.483 -4.970 1.00 0.00 C ATOM 51 CD GLU A 4 -8.361 8.922 -4.926 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.544 9.825 -4.849 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.568 9.097 -4.969 1.00 0.00 O ATOM 0 H GLU A 4 -5.886 5.019 -4.539 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.404 7.647 -5.679 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.885 6.488 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.599 8.216 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.506 7.238 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.645 6.788 -4.724 1.00 0.00 H new ATOM 60 N GLN A 5 -3.340 6.641 -3.509 1.00 0.00 N ATOM 61 CA GLN A 5 -2.165 7.038 -2.684 1.00 0.00 C ATOM 62 C GLN A 5 -0.902 7.035 -3.552 1.00 0.00 C ATOM 63 O GLN A 5 -0.115 7.962 -3.516 1.00 0.00 O ATOM 64 CB GLN A 5 -1.996 6.057 -1.521 1.00 0.00 C ATOM 65 CG GLN A 5 -1.424 6.795 -0.310 1.00 0.00 C ATOM 66 CD GLN A 5 -0.309 5.957 0.317 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.546 5.194 1.233 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.909 6.068 -0.140 1.00 0.00 N ATOM 0 H GLN A 5 -3.403 5.646 -3.727 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.326 8.040 -2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.957 5.609 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.332 5.243 -1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.036 7.768 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.210 6.979 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.109 6.708 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.661 5.515 0.272 1.00 0.00 H new ATOM 77 N CYS A 6 -0.695 6.009 -4.337 1.00 0.00 N ATOM 78 CA CYS A 6 0.522 5.974 -5.197 1.00 0.00 C ATOM 79 C CYS A 6 0.273 6.800 -6.458 1.00 0.00 C ATOM 80 O CYS A 6 1.186 7.107 -7.201 1.00 0.00 O ATOM 81 CB CYS A 6 0.853 4.531 -5.584 1.00 0.00 C ATOM 82 SG CYS A 6 0.961 3.521 -4.087 1.00 0.00 S ATOM 0 H CYS A 6 -1.312 5.201 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 6 1.363 6.392 -4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.085 4.135 -6.249 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.796 4.496 -6.129 1.00 0.00 H new ATOM 87 N CYS A 7 -0.955 7.170 -6.700 1.00 0.00 N ATOM 88 CA CYS A 7 -1.255 7.986 -7.906 1.00 0.00 C ATOM 89 C CYS A 7 -1.289 9.465 -7.511 1.00 0.00 C ATOM 90 O CYS A 7 -1.280 10.343 -8.349 1.00 0.00 O ATOM 91 CB CYS A 7 -2.602 7.561 -8.499 1.00 0.00 C ATOM 92 SG CYS A 7 -2.855 8.381 -10.092 1.00 0.00 S ATOM 0 H CYS A 7 -1.760 6.943 -6.116 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.482 7.832 -8.659 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.628 6.479 -8.628 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.409 7.820 -7.814 1.00 0.00 H new ATOM 97 N THR A 8 -1.302 9.743 -6.235 1.00 0.00 N ATOM 98 CA THR A 8 -1.305 11.160 -5.778 1.00 0.00 C ATOM 99 C THR A 8 0.138 11.569 -5.474 1.00 0.00 C ATOM 100 O THR A 8 0.486 12.732 -5.487 1.00 0.00 O ATOM 101 CB THR A 8 -2.157 11.293 -4.511 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.405 12.667 -4.251 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.416 10.673 -3.323 1.00 0.00 C ATOM 0 H THR A 8 -1.311 9.047 -5.489 1.00 0.00 H new ATOM 0 HA THR A 8 -1.724 11.804 -6.552 1.00 0.00 H new ATOM 0 HB THR A 8 -3.104 10.772 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.951 12.753 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.025 10.769 -2.424 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.227 9.618 -3.522 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.468 11.190 -3.176 1.00 0.00 H new ATOM 111 N SER A 9 0.978 10.604 -5.211 1.00 0.00 N ATOM 112 CA SER A 9 2.408 10.903 -4.914 1.00 0.00 C ATOM 113 C SER A 9 3.288 9.921 -5.692 1.00 0.00 C ATOM 114 O SER A 9 2.923 9.461 -6.754 1.00 0.00 O ATOM 115 CB SER A 9 2.662 10.743 -3.415 1.00 0.00 C ATOM 116 OG SER A 9 1.560 11.276 -2.692 1.00 0.00 O ATOM 0 H SER A 9 0.732 9.614 -5.189 1.00 0.00 H new ATOM 0 HA SER A 9 2.644 11.925 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.799 9.690 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.580 11.258 -3.133 1.00 0.00 H new ATOM 0 HG SER A 9 1.719 11.173 -1.730 1.00 0.00 H new ATOM 122 N ILE A 10 4.441 9.591 -5.177 1.00 0.00 N ATOM 123 CA ILE A 10 5.328 8.637 -5.897 1.00 0.00 C ATOM 124 C ILE A 10 4.960 7.202 -5.513 1.00 0.00 C ATOM 125 O ILE A 10 4.465 6.440 -6.318 1.00 0.00 O ATOM 126 CB ILE A 10 6.787 8.914 -5.522 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.258 10.189 -6.260 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.655 7.702 -5.900 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.501 9.913 -7.118 1.00 0.00 C ATOM 0 H ILE A 10 4.806 9.940 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 10 5.201 8.764 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 10 6.880 9.074 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.453 10.563 -6.893 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.482 10.970 -5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.693 7.900 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.304 6.821 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.584 7.524 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.806 10.830 -7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.313 9.563 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.268 9.150 -7.861 1.00 0.00 H new ATOM 141 N CYS A 11 5.221 6.835 -4.292 1.00 0.00 N ATOM 142 CA CYS A 11 4.914 5.448 -3.831 1.00 0.00 C ATOM 143 C CYS A 11 6.026 4.508 -4.296 1.00 0.00 C ATOM 144 O CYS A 11 6.547 4.639 -5.387 1.00 0.00 O ATOM 145 CB CYS A 11 3.581 4.982 -4.419 1.00 0.00 C ATOM 146 SG CYS A 11 2.545 4.295 -3.102 1.00 0.00 S ATOM 0 H CYS A 11 5.638 7.440 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 11 4.847 5.438 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.071 5.818 -4.898 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.754 4.230 -5.189 1.00 0.00 H new ATOM 151 N SER A 12 6.400 3.561 -3.480 1.00 0.00 N ATOM 152 CA SER A 12 7.481 2.620 -3.883 1.00 0.00 C ATOM 153 C SER A 12 6.906 1.210 -4.041 1.00 0.00 C ATOM 154 O SER A 12 5.805 0.923 -3.614 1.00 0.00 O ATOM 155 CB SER A 12 8.572 2.608 -2.812 1.00 0.00 C ATOM 156 OG SER A 12 7.975 2.424 -1.535 1.00 0.00 O ATOM 0 H SER A 12 6.004 3.399 -2.554 1.00 0.00 H new ATOM 0 HA SER A 12 7.906 2.945 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.285 1.808 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.130 3.544 -2.834 1.00 0.00 H new ATOM 0 HG SER A 12 8.672 2.414 -0.846 1.00 0.00 H new ATOM 162 N LEU A 13 7.652 0.327 -4.646 1.00 0.00 N ATOM 163 CA LEU A 13 7.155 -1.069 -4.828 1.00 0.00 C ATOM 164 C LEU A 13 7.052 -1.737 -3.455 1.00 0.00 C ATOM 165 O LEU A 13 6.393 -2.746 -3.294 1.00 0.00 O ATOM 166 CB LEU A 13 8.125 -1.871 -5.708 1.00 0.00 C ATOM 167 CG LEU A 13 8.896 -0.933 -6.640 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.254 -0.596 -6.017 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.116 -1.622 -7.986 1.00 0.00 C ATOM 0 H LEU A 13 8.582 0.510 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 13 6.179 -1.043 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.823 -2.425 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.572 -2.605 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 13 8.324 -0.017 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.803 0.072 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.102 -0.107 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.825 -1.513 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.665 -0.955 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.688 -2.538 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.152 -1.866 -8.432 1.00 0.00 H new ATOM 181 N TYR A 14 7.692 -1.177 -2.462 1.00 0.00 N ATOM 182 CA TYR A 14 7.619 -1.777 -1.103 1.00 0.00 C ATOM 183 C TYR A 14 6.183 -1.678 -0.616 1.00 0.00 C ATOM 184 O TYR A 14 5.628 -2.610 -0.067 1.00 0.00 O ATOM 185 CB TYR A 14 8.547 -1.015 -0.152 1.00 0.00 C ATOM 186 CG TYR A 14 9.996 -1.339 -0.474 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.323 -2.076 -1.625 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.017 -0.897 0.381 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.661 -2.370 -1.916 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.356 -1.192 0.088 1.00 0.00 C ATOM 191 CZ TYR A 14 12.677 -1.928 -1.059 1.00 0.00 C ATOM 192 OH TYR A 14 13.995 -2.217 -1.346 1.00 0.00 O ATOM 0 H TYR A 14 8.260 -0.333 -2.536 1.00 0.00 H new ATOM 0 HA TYR A 14 7.932 -2.821 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.376 0.057 -0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.326 -1.285 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.540 -2.417 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.771 -0.329 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.909 -2.937 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.140 -0.851 0.748 1.00 0.00 H new ATOM 0 HH TYR A 14 14.572 -1.836 -0.651 1.00 0.00 H new ATOM 202 N GLN A 15 5.569 -0.558 -0.844 1.00 0.00 N ATOM 203 CA GLN A 15 4.154 -0.391 -0.430 1.00 0.00 C ATOM 204 C GLN A 15 3.283 -1.187 -1.401 1.00 0.00 C ATOM 205 O GLN A 15 2.140 -1.495 -1.129 1.00 0.00 O ATOM 206 CB GLN A 15 3.775 1.090 -0.488 1.00 0.00 C ATOM 207 CG GLN A 15 4.603 1.871 0.534 1.00 0.00 C ATOM 208 CD GLN A 15 3.986 3.256 0.738 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.146 4.133 -0.087 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.286 3.493 1.813 1.00 0.00 N ATOM 0 H GLN A 15 5.987 0.253 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 15 4.009 -0.749 0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.951 1.482 -1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.712 1.212 -0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.634 1.332 1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.632 1.967 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.151 2.757 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.874 4.414 1.960 1.00 0.00 H new ATOM 219 N LEU A 16 3.833 -1.526 -2.538 1.00 0.00 N ATOM 220 CA LEU A 16 3.072 -2.305 -3.547 1.00 0.00 C ATOM 221 C LEU A 16 2.926 -3.749 -3.068 1.00 0.00 C ATOM 222 O LEU A 16 1.961 -4.422 -3.371 1.00 0.00 O ATOM 223 CB LEU A 16 3.851 -2.284 -4.863 1.00 0.00 C ATOM 224 CG LEU A 16 3.372 -1.121 -5.732 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.081 -1.175 -7.087 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.862 -1.233 -5.944 1.00 0.00 C ATOM 0 H LEU A 16 4.788 -1.291 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 16 2.082 -1.871 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.918 -2.185 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.713 -3.226 -5.393 1.00 0.00 H new ATOM 0 HG LEU A 16 3.601 -0.177 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.741 -0.347 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.158 -1.098 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.850 -2.118 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.519 -0.404 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.633 -2.176 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.356 -1.199 -4.979 1.00 0.00 H new ATOM 238 N GLU A 17 3.882 -4.224 -2.323 1.00 0.00 N ATOM 239 CA GLU A 17 3.814 -5.625 -1.818 1.00 0.00 C ATOM 240 C GLU A 17 2.655 -5.755 -0.832 1.00 0.00 C ATOM 241 O GLU A 17 2.110 -6.824 -0.635 1.00 0.00 O ATOM 242 CB GLU A 17 5.127 -5.980 -1.114 1.00 0.00 C ATOM 243 CG GLU A 17 6.245 -6.107 -2.149 1.00 0.00 C ATOM 244 CD GLU A 17 7.596 -5.860 -1.476 1.00 0.00 C ATOM 245 OE1 GLU A 17 8.024 -6.716 -0.718 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.181 -4.820 -1.728 1.00 0.00 O ATOM 0 H GLU A 17 4.711 -3.702 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 17 3.657 -6.305 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.379 -5.211 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.016 -6.916 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.227 -7.100 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.092 -5.389 -2.955 1.00 0.00 H new ATOM 253 N ASN A 18 2.272 -4.675 -0.216 1.00 0.00 N ATOM 254 CA ASN A 18 1.145 -4.728 0.755 1.00 0.00 C ATOM 255 C ASN A 18 -0.176 -4.871 -0.005 1.00 0.00 C ATOM 256 O ASN A 18 -1.236 -4.959 0.585 1.00 0.00 O ATOM 257 CB ASN A 18 1.126 -3.440 1.579 1.00 0.00 C ATOM 258 CG ASN A 18 1.773 -3.693 2.942 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.936 -4.034 3.023 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.061 -3.541 4.026 1.00 0.00 N ATOM 0 H ASN A 18 2.692 -3.754 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 18 1.274 -5.582 1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.662 -2.651 1.052 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.100 -3.096 1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.482 -3.709 4.940 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.084 -3.255 3.959 1.00 0.00 H new ATOM 267 N TYR A 19 -0.124 -4.894 -1.309 1.00 0.00 N ATOM 268 CA TYR A 19 -1.368 -5.029 -2.105 1.00 0.00 C ATOM 269 C TYR A 19 -1.260 -6.262 -3.005 1.00 0.00 C ATOM 270 O TYR A 19 -1.802 -6.300 -4.092 1.00 0.00 O ATOM 271 CB TYR A 19 -1.543 -3.779 -2.967 1.00 0.00 C ATOM 272 CG TYR A 19 -1.522 -2.556 -2.083 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.412 -2.455 -1.006 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.610 -1.523 -2.337 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.391 -1.323 -0.182 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.588 -0.389 -1.513 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.479 -0.290 -0.436 1.00 0.00 C ATOM 278 OH TYR A 19 -1.459 0.826 0.376 1.00 0.00 O ATOM 0 H TYR A 19 0.734 -4.824 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.225 -5.140 -1.441 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.746 -3.720 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.484 -3.830 -3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.115 -3.251 -0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.076 -1.600 -3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.077 -1.246 0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.115 0.407 -1.708 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.767 1.446 0.063 1.00 0.00 H new ATOM 288 N CYS A 20 -0.560 -7.270 -2.560 1.00 0.00 N ATOM 289 CA CYS A 20 -0.414 -8.499 -3.388 1.00 0.00 C ATOM 290 C CYS A 20 -1.577 -9.452 -3.104 1.00 0.00 C ATOM 291 O CYS A 20 -2.639 -9.339 -3.681 1.00 0.00 O ATOM 292 CB CYS A 20 0.912 -9.186 -3.052 1.00 0.00 C ATOM 293 SG CYS A 20 2.251 -8.410 -3.991 1.00 0.00 S ATOM 0 H CYS A 20 -0.083 -7.295 -1.659 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.423 -8.228 -4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.112 -9.110 -1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.854 -10.248 -3.291 1.00 0.00 H new ATOM 298 N ASN A 21 -1.386 -10.391 -2.220 1.00 0.00 N ATOM 299 CA ASN A 21 -2.480 -11.350 -1.901 1.00 0.00 C ATOM 300 C ASN A 21 -2.596 -11.503 -0.383 1.00 0.00 C ATOM 301 O ASN A 21 -1.567 -11.521 0.271 1.00 0.00 O ATOM 302 CB ASN A 21 -2.166 -12.709 -2.529 1.00 0.00 C ATOM 303 CG ASN A 21 -2.904 -12.841 -3.862 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.429 -12.241 -4.918 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -3.924 -13.496 -3.943 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -3.712 -11.601 0.098 1.00 0.00 O ATOM 0 H ASN A 21 -0.518 -10.536 -1.704 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.422 -10.974 -2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.092 -12.809 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.466 -13.511 -1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.296 -13.965 -3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.409 -13.577 -4.837 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 17.068 1.457 -5.504 1.00 0.00 N ATOM 315 CA PHE B 1 15.846 1.552 -6.350 1.00 0.00 C ATOM 316 C PHE B 1 15.636 3.004 -6.788 1.00 0.00 C ATOM 317 O PHE B 1 16.542 3.814 -6.739 1.00 0.00 O ATOM 318 CB PHE B 1 14.630 1.081 -5.549 1.00 0.00 C ATOM 319 CG PHE B 1 14.033 -0.139 -6.218 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.822 -0.146 -7.605 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.691 -1.266 -5.454 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.272 -1.276 -8.224 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.142 -2.395 -6.076 1.00 0.00 C ATOM 324 CZ PHE B 1 12.932 -2.399 -7.461 1.00 0.00 C ATOM 0 H1 PHE B 1 17.442 0.487 -5.542 1.00 0.00 H new ATOM 0 H2 PHE B 1 17.787 2.119 -5.858 1.00 0.00 H new ATOM 0 H3 PHE B 1 16.829 1.698 -4.521 1.00 0.00 H new ATOM 0 HA PHE B 1 15.968 0.921 -7.231 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.924 0.842 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.888 1.877 -5.490 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.084 0.720 -8.195 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.851 -1.263 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.110 -1.281 -9.292 1.00 0.00 H new ATOM 0 HE2 PHE B 1 12.881 -3.262 -5.488 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.508 -3.269 -7.940 1.00 0.00 H new ATOM 336 N VAL B 2 14.450 3.340 -7.220 1.00 0.00 N ATOM 337 CA VAL B 2 14.187 4.738 -7.663 1.00 0.00 C ATOM 338 C VAL B 2 12.766 5.146 -7.260 1.00 0.00 C ATOM 339 O VAL B 2 11.891 4.317 -7.110 1.00 0.00 O ATOM 340 CB VAL B 2 14.329 4.823 -9.183 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.493 3.723 -9.836 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.838 6.190 -9.665 1.00 0.00 C ATOM 0 H VAL B 2 13.653 2.707 -7.285 1.00 0.00 H new ATOM 0 HA VAL B 2 14.904 5.410 -7.190 1.00 0.00 H new ATOM 0 HB VAL B 2 15.376 4.695 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.594 3.784 -10.920 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.842 2.749 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.446 3.851 -9.562 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.939 6.252 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.791 6.318 -9.390 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.434 6.975 -9.200 1.00 0.00 H new ATOM 352 N ASN B 3 12.533 6.419 -7.087 1.00 0.00 N ATOM 353 CA ASN B 3 11.174 6.886 -6.699 1.00 0.00 C ATOM 354 C ASN B 3 10.342 7.111 -7.965 1.00 0.00 C ATOM 355 O ASN B 3 10.383 8.167 -8.565 1.00 0.00 O ATOM 356 CB ASN B 3 11.300 8.198 -5.920 1.00 0.00 C ATOM 357 CG ASN B 3 12.524 8.131 -5.004 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.963 7.060 -4.636 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.099 9.238 -4.620 1.00 0.00 N ATOM 0 H ASN B 3 13.228 7.157 -7.198 1.00 0.00 H new ATOM 0 HA ASN B 3 10.685 6.139 -6.073 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.395 9.036 -6.611 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.400 8.371 -5.330 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.917 9.203 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.731 10.138 -4.929 1.00 0.00 H new ATOM 366 N GLN B 4 9.599 6.123 -8.382 1.00 0.00 N ATOM 367 CA GLN B 4 8.780 6.274 -9.616 1.00 0.00 C ATOM 368 C GLN B 4 7.325 6.572 -9.254 1.00 0.00 C ATOM 369 O GLN B 4 6.820 6.132 -8.240 1.00 0.00 O ATOM 370 CB GLN B 4 8.842 4.978 -10.421 1.00 0.00 C ATOM 371 CG GLN B 4 9.846 5.133 -11.564 1.00 0.00 C ATOM 372 CD GLN B 4 9.502 4.145 -12.680 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.214 3.184 -12.896 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.432 4.340 -13.401 1.00 0.00 N ATOM 0 H GLN B 4 9.524 5.217 -7.920 1.00 0.00 H new ATOM 0 HA GLN B 4 9.175 7.101 -10.206 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.135 4.150 -9.775 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.856 4.738 -10.819 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.823 6.153 -11.947 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.858 4.951 -11.201 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.835 5.147 -13.219 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.193 3.686 -14.146 1.00 0.00 H new ATOM 383 N HIS B 5 6.646 7.310 -10.088 1.00 0.00 N ATOM 384 CA HIS B 5 5.220 7.640 -9.816 1.00 0.00 C ATOM 385 C HIS B 5 4.337 6.492 -10.320 1.00 0.00 C ATOM 386 O HIS B 5 4.563 5.947 -11.383 1.00 0.00 O ATOM 387 CB HIS B 5 4.862 8.933 -10.551 1.00 0.00 C ATOM 388 CG HIS B 5 3.628 9.540 -9.947 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.503 8.785 -9.696 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.356 10.823 -9.557 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.592 9.617 -9.172 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.068 10.874 -9.069 1.00 0.00 N ATOM 0 H HIS B 5 7.021 7.701 -10.952 1.00 0.00 H new ATOM 0 HA HIS B 5 5.060 7.775 -8.746 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.691 9.638 -10.490 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.696 8.726 -11.608 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.038 11.658 -9.621 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.599 9.317 -8.870 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.578 11.691 -8.706 1.00 0.00 H new ATOM 400 N LEU B 6 3.338 6.112 -9.567 1.00 0.00 N ATOM 401 CA LEU B 6 2.458 4.991 -10.012 1.00 0.00 C ATOM 402 C LEU B 6 1.007 5.469 -10.099 1.00 0.00 C ATOM 403 O LEU B 6 0.519 6.146 -9.221 1.00 0.00 O ATOM 404 CB LEU B 6 2.547 3.846 -8.999 1.00 0.00 C ATOM 405 CG LEU B 6 3.796 3.011 -9.271 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.659 2.318 -10.626 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.021 3.924 -9.287 1.00 0.00 C ATOM 0 H LEU B 6 3.094 6.527 -8.668 1.00 0.00 H new ATOM 0 HA LEU B 6 2.785 4.648 -10.994 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.580 4.246 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.658 3.219 -9.066 1.00 0.00 H new ATOM 0 HG LEU B 6 3.911 2.260 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.550 1.722 -10.821 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.783 1.669 -10.616 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.546 3.068 -11.409 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.915 3.331 -9.481 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.906 4.673 -10.070 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.118 4.420 -8.321 1.00 0.00 H new ATOM 419 N CYS B 7 0.309 5.115 -11.148 1.00 0.00 N ATOM 420 CA CYS B 7 -1.113 5.550 -11.276 1.00 0.00 C ATOM 421 C CYS B 7 -1.935 4.443 -11.967 1.00 0.00 C ATOM 422 O CYS B 7 -2.238 3.429 -11.373 1.00 0.00 O ATOM 423 CB CYS B 7 -1.179 6.849 -12.091 1.00 0.00 C ATOM 424 SG CYS B 7 -1.051 8.279 -10.993 1.00 0.00 S ATOM 0 H CYS B 7 0.661 4.546 -11.918 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.531 5.731 -10.286 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.372 6.869 -12.823 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.115 6.891 -12.648 1.00 0.00 H new ATOM 429 N GLY B 8 -2.302 4.618 -13.213 1.00 0.00 N ATOM 430 CA GLY B 8 -3.101 3.567 -13.903 1.00 0.00 C ATOM 431 C GLY B 8 -2.208 2.369 -14.220 1.00 0.00 C ATOM 432 O GLY B 8 -1.617 1.774 -13.341 1.00 0.00 O ATOM 0 H GLY B 8 -2.083 5.439 -13.777 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.933 3.256 -13.272 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.530 3.967 -14.822 1.00 0.00 H new ATOM 436 N SER B 9 -2.103 2.011 -15.471 1.00 0.00 N ATOM 437 CA SER B 9 -1.248 0.851 -15.847 1.00 0.00 C ATOM 438 C SER B 9 0.066 0.918 -15.070 1.00 0.00 C ATOM 439 O SER B 9 0.624 -0.090 -14.685 1.00 0.00 O ATOM 440 CB SER B 9 -0.958 0.896 -17.347 1.00 0.00 C ATOM 441 OG SER B 9 -1.301 -0.355 -17.928 1.00 0.00 O ATOM 0 H SER B 9 -2.573 2.473 -16.249 1.00 0.00 H new ATOM 0 HA SER B 9 -1.766 -0.077 -15.607 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.529 1.697 -17.816 1.00 0.00 H new ATOM 0 HB3 SER B 9 0.096 1.113 -17.519 1.00 0.00 H new ATOM 0 HG SER B 9 -1.118 -0.330 -18.890 1.00 0.00 H new ATOM 447 N ASP B 10 0.562 2.101 -14.831 1.00 0.00 N ATOM 448 CA ASP B 10 1.836 2.230 -14.074 1.00 0.00 C ATOM 449 C ASP B 10 1.691 1.533 -12.720 1.00 0.00 C ATOM 450 O ASP B 10 2.481 0.680 -12.365 1.00 0.00 O ATOM 451 CB ASP B 10 2.155 3.710 -13.858 1.00 0.00 C ATOM 452 CG ASP B 10 2.759 4.292 -15.138 1.00 0.00 C ATOM 453 OD1 ASP B 10 3.535 3.596 -15.773 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.435 5.422 -15.462 1.00 0.00 O ATOM 0 H ASP B 10 0.140 2.981 -15.127 1.00 0.00 H new ATOM 0 HA ASP B 10 2.645 1.766 -14.638 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.249 4.253 -13.591 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.852 3.826 -13.028 1.00 0.00 H new ATOM 459 N LEU B 11 0.690 1.885 -11.958 1.00 0.00 N ATOM 460 CA LEU B 11 0.508 1.235 -10.629 1.00 0.00 C ATOM 461 C LEU B 11 0.041 -0.209 -10.840 1.00 0.00 C ATOM 462 O LEU B 11 0.318 -1.088 -10.047 1.00 0.00 O ATOM 463 CB LEU B 11 -0.547 2.011 -9.818 1.00 0.00 C ATOM 464 CG LEU B 11 -0.199 2.088 -8.312 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.449 1.783 -7.489 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.890 1.081 -7.932 1.00 0.00 C ATOM 0 H LEU B 11 -0.006 2.591 -12.197 1.00 0.00 H new ATOM 0 HA LEU B 11 1.451 1.238 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.638 3.021 -10.219 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.518 1.531 -9.939 1.00 0.00 H new ATOM 0 HG LEU B 11 0.169 3.093 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.208 1.836 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.225 2.512 -7.722 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.808 0.782 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.107 1.165 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.545 0.071 -8.154 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.794 1.289 -8.504 1.00 0.00 H new ATOM 478 N VAL B 12 -0.661 -0.462 -11.913 1.00 0.00 N ATOM 479 CA VAL B 12 -1.138 -1.847 -12.181 1.00 0.00 C ATOM 480 C VAL B 12 0.041 -2.697 -12.659 1.00 0.00 C ATOM 481 O VAL B 12 0.447 -3.634 -12.000 1.00 0.00 O ATOM 482 CB VAL B 12 -2.231 -1.805 -13.258 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.383 -3.183 -13.912 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.559 -1.406 -12.615 1.00 0.00 C ATOM 0 H VAL B 12 -0.924 0.231 -12.614 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.551 -2.285 -11.272 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.951 -1.077 -14.019 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.161 -3.140 -14.674 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.439 -3.473 -14.373 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.657 -3.917 -13.154 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.338 -1.375 -13.377 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.827 -2.136 -11.851 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.460 -0.422 -12.157 1.00 0.00 H new ATOM 494 N GLU B 13 0.597 -2.376 -13.796 1.00 0.00 N ATOM 495 CA GLU B 13 1.753 -3.167 -14.302 1.00 0.00 C ATOM 496 C GLU B 13 2.728 -3.404 -13.148 1.00 0.00 C ATOM 497 O GLU B 13 3.452 -4.380 -13.123 1.00 0.00 O ATOM 498 CB GLU B 13 2.454 -2.396 -15.422 1.00 0.00 C ATOM 499 CG GLU B 13 1.718 -2.638 -16.743 1.00 0.00 C ATOM 500 CD GLU B 13 2.693 -2.471 -17.910 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.664 -1.752 -17.747 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.449 -3.064 -18.948 1.00 0.00 O ATOM 0 H GLU B 13 0.302 -1.604 -14.393 1.00 0.00 H new ATOM 0 HA GLU B 13 1.406 -4.123 -14.695 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.469 -1.331 -15.191 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.492 -2.719 -15.507 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.289 -3.640 -16.754 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.890 -1.936 -16.844 1.00 0.00 H new ATOM 509 N ALA B 14 2.740 -2.522 -12.186 1.00 0.00 N ATOM 510 CA ALA B 14 3.654 -2.699 -11.025 1.00 0.00 C ATOM 511 C ALA B 14 3.221 -3.938 -10.242 1.00 0.00 C ATOM 512 O ALA B 14 3.957 -4.898 -10.124 1.00 0.00 O ATOM 513 CB ALA B 14 3.578 -1.468 -10.118 1.00 0.00 C ATOM 0 H ALA B 14 2.156 -1.687 -12.155 1.00 0.00 H new ATOM 0 HA ALA B 14 4.679 -2.821 -11.376 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.248 -1.600 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.875 -0.583 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.557 -1.344 -9.758 1.00 0.00 H new ATOM 519 N LEU B 15 2.027 -3.931 -9.714 1.00 0.00 N ATOM 520 CA LEU B 15 1.547 -5.115 -8.950 1.00 0.00 C ATOM 521 C LEU B 15 1.769 -6.375 -9.787 1.00 0.00 C ATOM 522 O LEU B 15 2.282 -7.370 -9.314 1.00 0.00 O ATOM 523 CB LEU B 15 0.055 -4.955 -8.657 1.00 0.00 C ATOM 524 CG LEU B 15 -0.149 -3.802 -7.674 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.502 -3.138 -7.935 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.115 -4.342 -6.243 1.00 0.00 C ATOM 0 H LEU B 15 1.365 -3.158 -9.779 1.00 0.00 H new ATOM 0 HA LEU B 15 2.096 -5.197 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.489 -4.760 -9.581 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.346 -5.879 -8.239 1.00 0.00 H new ATOM 0 HG LEU B 15 0.646 -3.068 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.645 -2.316 -7.233 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.528 -2.753 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.298 -3.871 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.260 -3.521 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.910 -5.076 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.849 -4.814 -6.055 1.00 0.00 H new ATOM 538 N TYR B 16 1.384 -6.335 -11.032 1.00 0.00 N ATOM 539 CA TYR B 16 1.563 -7.521 -11.918 1.00 0.00 C ATOM 540 C TYR B 16 2.999 -8.042 -11.807 1.00 0.00 C ATOM 541 O TYR B 16 3.227 -9.219 -11.611 1.00 0.00 O ATOM 542 CB TYR B 16 1.283 -7.111 -13.366 1.00 0.00 C ATOM 543 CG TYR B 16 0.099 -7.894 -13.895 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.220 -9.269 -14.141 1.00 0.00 C ATOM 545 CD2 TYR B 16 -1.120 -7.245 -14.140 1.00 0.00 C ATOM 546 CE1 TYR B 16 -0.875 -9.994 -14.631 1.00 0.00 C ATOM 547 CE2 TYR B 16 -2.214 -7.970 -14.630 1.00 0.00 C ATOM 548 CZ TYR B 16 -2.091 -9.344 -14.875 1.00 0.00 C ATOM 549 OH TYR B 16 -3.170 -10.057 -15.358 1.00 0.00 O ATOM 0 H TYR B 16 0.950 -5.527 -11.477 1.00 0.00 H new ATOM 0 HA TYR B 16 0.872 -8.308 -11.614 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.078 -6.042 -13.419 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.161 -7.298 -13.984 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.158 -9.770 -13.953 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.215 -6.186 -13.951 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.781 -11.053 -14.820 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.152 -7.470 -14.819 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.936 -9.456 -15.471 1.00 0.00 H new ATOM 559 N LEU B 17 3.969 -7.178 -11.938 1.00 0.00 N ATOM 560 CA LEU B 17 5.386 -7.633 -11.846 1.00 0.00 C ATOM 561 C LEU B 17 5.825 -7.673 -10.380 1.00 0.00 C ATOM 562 O LEU B 17 6.844 -8.244 -10.045 1.00 0.00 O ATOM 563 CB LEU B 17 6.284 -6.667 -12.623 1.00 0.00 C ATOM 564 CG LEU B 17 6.910 -7.400 -13.812 1.00 0.00 C ATOM 565 CD1 LEU B 17 6.704 -6.576 -15.085 1.00 0.00 C ATOM 566 CD2 LEU B 17 8.408 -7.588 -13.562 1.00 0.00 C ATOM 0 H LEU B 17 3.842 -6.180 -12.104 1.00 0.00 H new ATOM 0 HA LEU B 17 5.470 -8.633 -12.273 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.702 -5.814 -12.973 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.065 -6.275 -11.971 1.00 0.00 H new ATOM 0 HG LEU B 17 6.436 -8.374 -13.930 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.150 -7.098 -15.932 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.637 -6.441 -15.262 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.178 -5.602 -14.968 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.855 -8.110 -14.408 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.882 -6.614 -13.445 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.555 -8.175 -12.655 1.00 0.00 H new ATOM 578 N VAL B 18 5.067 -7.074 -9.505 1.00 0.00 N ATOM 579 CA VAL B 18 5.447 -7.083 -8.065 1.00 0.00 C ATOM 580 C VAL B 18 5.109 -8.444 -7.459 1.00 0.00 C ATOM 581 O VAL B 18 5.962 -9.135 -6.940 1.00 0.00 O ATOM 582 CB VAL B 18 4.672 -5.995 -7.325 1.00 0.00 C ATOM 583 CG1 VAL B 18 4.967 -6.086 -5.828 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.101 -4.623 -7.844 1.00 0.00 C ATOM 0 H VAL B 18 4.202 -6.579 -9.724 1.00 0.00 H new ATOM 0 HA VAL B 18 6.517 -6.896 -7.972 1.00 0.00 H new ATOM 0 HB VAL B 18 3.604 -6.132 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.414 -5.309 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.663 -7.064 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.035 -5.949 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.548 -3.845 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.169 -4.488 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.892 -4.556 -8.912 1.00 0.00 H new ATOM 594 N CYS B 19 3.865 -8.830 -7.516 1.00 0.00 N ATOM 595 CA CYS B 19 3.466 -10.145 -6.938 1.00 0.00 C ATOM 596 C CYS B 19 3.637 -11.242 -7.990 1.00 0.00 C ATOM 597 O CYS B 19 4.427 -12.151 -7.827 1.00 0.00 O ATOM 598 CB CYS B 19 1.999 -10.091 -6.497 1.00 0.00 C ATOM 599 SG CYS B 19 1.594 -8.429 -5.902 1.00 0.00 S ATOM 0 H CYS B 19 3.107 -8.293 -7.937 1.00 0.00 H new ATOM 0 HA CYS B 19 4.097 -10.364 -6.077 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.350 -10.356 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.820 -10.822 -5.709 1.00 0.00 H new ATOM 604 N GLY B 20 2.903 -11.168 -9.067 1.00 0.00 N ATOM 605 CA GLY B 20 3.026 -12.214 -10.121 1.00 0.00 C ATOM 606 C GLY B 20 2.454 -13.532 -9.594 1.00 0.00 C ATOM 607 O GLY B 20 1.263 -13.765 -9.640 1.00 0.00 O ATOM 0 H GLY B 20 2.226 -10.431 -9.262 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.492 -11.906 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.072 -12.344 -10.401 1.00 0.00 H new ATOM 611 N GLU B 21 3.295 -14.392 -9.088 1.00 0.00 N ATOM 612 CA GLU B 21 2.800 -15.692 -8.552 1.00 0.00 C ATOM 613 C GLU B 21 1.539 -15.455 -7.720 1.00 0.00 C ATOM 614 O GLU B 21 0.431 -15.601 -8.197 1.00 0.00 O ATOM 615 CB GLU B 21 3.873 -16.329 -7.662 1.00 0.00 C ATOM 616 CG GLU B 21 4.748 -15.239 -7.038 1.00 0.00 C ATOM 617 CD GLU B 21 5.167 -15.666 -5.631 1.00 0.00 C ATOM 618 OE1 GLU B 21 5.991 -16.558 -5.525 1.00 0.00 O ATOM 619 OE2 GLU B 21 4.654 -15.095 -4.682 1.00 0.00 O ATOM 0 H GLU B 21 4.303 -14.251 -9.022 1.00 0.00 H new ATOM 0 HA GLU B 21 2.574 -16.358 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.402 -16.922 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.489 -17.009 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.630 -15.068 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.200 -14.298 -6.996 1.00 0.00 H new ATOM 626 N ARG B 22 1.710 -15.090 -6.478 1.00 0.00 N ATOM 627 CA ARG B 22 0.537 -14.838 -5.589 1.00 0.00 C ATOM 628 C ARG B 22 -0.575 -14.138 -6.374 1.00 0.00 C ATOM 629 O ARG B 22 -1.746 -14.317 -6.103 1.00 0.00 O ATOM 630 CB ARG B 22 0.968 -13.946 -4.423 1.00 0.00 C ATOM 631 CG ARG B 22 2.026 -14.670 -3.589 1.00 0.00 C ATOM 632 CD ARG B 22 3.117 -13.679 -3.179 1.00 0.00 C ATOM 633 NE ARG B 22 2.503 -12.545 -2.432 1.00 0.00 N ATOM 634 CZ ARG B 22 2.972 -12.203 -1.264 1.00 0.00 C ATOM 635 NH1 ARG B 22 4.198 -11.766 -1.157 1.00 0.00 N ATOM 636 NH2 ARG B 22 2.218 -12.299 -0.204 1.00 0.00 N ATOM 0 H ARG B 22 2.620 -14.954 -6.037 1.00 0.00 H new ATOM 0 HA ARG B 22 0.165 -15.790 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.369 -13.005 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.107 -13.700 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.568 -15.110 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.460 -15.488 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.861 -14.177 -2.558 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.637 -13.308 -4.062 1.00 0.00 H new ATOM 0 HE ARG B 22 1.716 -12.036 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.787 -11.692 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.566 -11.498 -0.244 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.261 -12.642 -0.288 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.585 -12.031 0.709 1.00 0.00 H new ATOM 650 N GLY B 23 -0.219 -13.339 -7.341 1.00 0.00 N ATOM 651 CA GLY B 23 -1.257 -12.627 -8.138 1.00 0.00 C ATOM 652 C GLY B 23 -1.522 -11.256 -7.515 1.00 0.00 C ATOM 653 O GLY B 23 -0.662 -10.676 -6.885 1.00 0.00 O ATOM 0 H GLY B 23 0.745 -13.148 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.924 -12.512 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.177 -13.211 -8.163 1.00 0.00 H new ATOM 657 N PHE B 24 -2.709 -10.738 -7.678 1.00 0.00 N ATOM 658 CA PHE B 24 -3.027 -9.403 -7.086 1.00 0.00 C ATOM 659 C PHE B 24 -4.445 -8.985 -7.492 1.00 0.00 C ATOM 660 O PHE B 24 -4.955 -9.393 -8.515 1.00 0.00 O ATOM 661 CB PHE B 24 -1.990 -8.359 -7.561 1.00 0.00 C ATOM 662 CG PHE B 24 -2.499 -7.581 -8.771 1.00 0.00 C ATOM 663 CD1 PHE B 24 -2.467 -8.160 -10.049 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.004 -6.274 -8.614 1.00 0.00 C ATOM 665 CE1 PHE B 24 -2.934 -7.444 -11.159 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.469 -5.563 -9.728 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.434 -6.148 -10.999 1.00 0.00 C ATOM 0 H PHE B 24 -3.471 -11.178 -8.193 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.980 -9.464 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.769 -7.667 -6.748 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.056 -8.861 -7.815 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.081 -9.161 -10.177 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.032 -5.821 -7.634 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.908 -7.894 -12.140 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.855 -4.562 -9.606 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.793 -5.598 -11.856 1.00 0.00 H new ATOM 677 N PHE B 25 -5.082 -8.169 -6.695 1.00 0.00 N ATOM 678 CA PHE B 25 -6.462 -7.719 -7.035 1.00 0.00 C ATOM 679 C PHE B 25 -6.554 -6.201 -6.864 1.00 0.00 C ATOM 680 O PHE B 25 -6.644 -5.692 -5.765 1.00 0.00 O ATOM 681 CB PHE B 25 -7.475 -8.403 -6.109 1.00 0.00 C ATOM 682 CG PHE B 25 -6.824 -8.720 -4.783 1.00 0.00 C ATOM 683 CD1 PHE B 25 -6.750 -7.739 -3.786 1.00 0.00 C ATOM 684 CD2 PHE B 25 -6.295 -9.997 -4.550 1.00 0.00 C ATOM 685 CE1 PHE B 25 -6.146 -8.033 -2.557 1.00 0.00 C ATOM 686 CE2 PHE B 25 -5.691 -10.292 -3.320 1.00 0.00 C ATOM 687 CZ PHE B 25 -5.617 -9.309 -2.323 1.00 0.00 C ATOM 0 H PHE B 25 -4.706 -7.795 -5.824 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.686 -7.986 -8.068 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.337 -7.754 -5.955 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.844 -9.319 -6.571 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.159 -6.756 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.353 -10.754 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.088 -7.276 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.283 -11.276 -3.140 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.152 -9.535 -1.375 1.00 0.00 H new ATOM 697 N TYR B 26 -6.526 -5.474 -7.949 1.00 0.00 N ATOM 698 CA TYR B 26 -6.604 -3.989 -7.855 1.00 0.00 C ATOM 699 C TYR B 26 -7.729 -3.588 -6.899 1.00 0.00 C ATOM 700 O TYR B 26 -8.704 -4.294 -6.738 1.00 0.00 O ATOM 701 CB TYR B 26 -6.885 -3.405 -9.241 1.00 0.00 C ATOM 702 CG TYR B 26 -6.107 -2.123 -9.413 1.00 0.00 C ATOM 703 CD1 TYR B 26 -4.749 -2.078 -9.071 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.742 -0.979 -9.913 1.00 0.00 C ATOM 705 CE1 TYR B 26 -4.026 -0.888 -9.229 1.00 0.00 C ATOM 706 CE2 TYR B 26 -6.019 0.211 -10.072 1.00 0.00 C ATOM 707 CZ TYR B 26 -4.661 0.257 -9.729 1.00 0.00 C ATOM 708 OH TYR B 26 -3.949 1.428 -9.885 1.00 0.00 O ATOM 0 H TYR B 26 -6.452 -5.845 -8.896 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.656 -3.603 -7.479 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.603 -4.121 -10.013 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.952 -3.214 -9.358 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.260 -2.960 -8.686 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.789 -1.014 -10.176 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.979 -0.853 -8.965 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.508 1.093 -10.459 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.454 2.045 -10.455 1.00 0.00 H new ATOM 718 N THR B 27 -7.601 -2.453 -6.267 1.00 0.00 N ATOM 719 CA THR B 27 -8.661 -1.998 -5.324 1.00 0.00 C ATOM 720 C THR B 27 -9.010 -0.539 -5.622 1.00 0.00 C ATOM 721 O THR B 27 -8.207 0.206 -6.146 1.00 0.00 O ATOM 722 CB THR B 27 -8.149 -2.115 -3.886 1.00 0.00 C ATOM 723 OG1 THR B 27 -7.196 -1.089 -3.641 1.00 0.00 O ATOM 724 CG2 THR B 27 -7.495 -3.483 -3.684 1.00 0.00 C ATOM 0 H THR B 27 -6.807 -1.821 -6.364 1.00 0.00 H new ATOM 0 HA THR B 27 -9.549 -2.619 -5.445 1.00 0.00 H new ATOM 0 HB THR B 27 -8.983 -2.010 -3.192 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.254 -0.806 -2.705 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.131 -3.565 -2.660 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.228 -4.268 -3.872 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.660 -3.593 -4.376 1.00 0.00 H new ATOM 732 N LYS B 28 -10.202 -0.124 -5.295 1.00 0.00 N ATOM 733 CA LYS B 28 -10.596 1.287 -5.564 1.00 0.00 C ATOM 734 C LYS B 28 -10.553 1.543 -7.073 1.00 0.00 C ATOM 735 O LYS B 28 -9.683 2.241 -7.557 1.00 0.00 O ATOM 736 CB LYS B 28 -9.622 2.233 -4.858 1.00 0.00 C ATOM 737 CG LYS B 28 -10.005 3.683 -5.163 1.00 0.00 C ATOM 738 CD LYS B 28 -11.080 4.146 -4.179 1.00 0.00 C ATOM 739 CE LYS B 28 -10.444 4.423 -2.815 1.00 0.00 C ATOM 740 NZ LYS B 28 -11.087 3.562 -1.782 1.00 0.00 N ATOM 0 H LYS B 28 -10.919 -0.700 -4.854 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.605 1.463 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.645 2.059 -3.782 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.603 2.037 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.128 4.325 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.374 3.765 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.567 5.046 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.852 3.383 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.373 4.224 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.563 5.474 -2.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.655 3.750 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.105 3.773 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.951 2.561 -2.030 1.00 0.00 H new ATOM 754 N PRO B 29 -11.497 0.965 -7.772 1.00 0.00 N ATOM 755 CA PRO B 29 -11.599 1.106 -9.235 1.00 0.00 C ATOM 756 C PRO B 29 -12.198 2.467 -9.602 1.00 0.00 C ATOM 757 O PRO B 29 -13.169 2.907 -9.019 1.00 0.00 O ATOM 758 CB PRO B 29 -12.538 -0.034 -9.640 1.00 0.00 C ATOM 759 CG PRO B 29 -13.354 -0.397 -8.376 1.00 0.00 C ATOM 760 CD PRO B 29 -12.548 0.119 -7.169 1.00 0.00 C ATOM 0 HA PRO B 29 -10.634 1.056 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.196 0.275 -10.452 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.973 -0.894 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.342 0.063 -8.407 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.506 -1.474 -8.309 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.176 0.690 -6.485 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.118 -0.703 -6.596 1.00 0.00 H new ATOM 768 N THR B 30 -11.625 3.138 -10.564 1.00 0.00 N ATOM 769 CA THR B 30 -12.161 4.468 -10.966 1.00 0.00 C ATOM 770 C THR B 30 -13.654 4.346 -11.279 1.00 0.00 C ATOM 771 O THR B 30 -14.348 5.342 -11.159 1.00 0.00 O ATOM 772 CB THR B 30 -11.420 4.960 -12.212 1.00 0.00 C ATOM 773 OG1 THR B 30 -12.129 6.051 -12.784 1.00 0.00 O ATOM 774 CG2 THR B 30 -11.320 3.824 -13.230 1.00 0.00 C ATOM 775 OXT THR B 30 -14.077 3.259 -11.635 1.00 0.00 O ATOM 0 H THR B 30 -10.809 2.822 -11.088 1.00 0.00 H new ATOM 0 HA THR B 30 -12.018 5.177 -10.151 1.00 0.00 H new ATOM 0 HB THR B 30 -10.417 5.285 -11.934 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.655 6.368 -13.581 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.792 4.175 -14.117 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.775 2.989 -12.791 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.321 3.497 -13.510 1.00 0.00 H new TER 783 THR B 30