USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 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 8 DSN H : B 8 DSN N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.166 X(o=-0.17,f=0.31) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -33:sc= 0.548 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= -0.0351 X(o=-0.035,f=-0.47) USER MOD Single : A 18 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 19 TYR OH : rot -76:sc= -0.224 USER MOD Single : A 21 ASN : amide:sc= -0.058 X(o=-0.058,f=-0.34) USER MOD Single : B 1 PHE N :NH3+ -150:sc= -0.326 (180deg=-0.526) USER MOD Single : B 3 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 5 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : B 8 DSN OG : rot 180:sc= 0 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 3:sc= -16.8! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00256 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.043 3.160 5.235 1.00 0.00 N ATOM 2 CA GLY A 1 -8.394 3.549 3.953 1.00 0.00 C ATOM 3 C GLY A 1 -6.880 3.491 4.026 1.00 0.00 C ATOM 4 O GLY A 1 -6.230 4.485 4.346 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.076 3.216 5.132 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.772 2.186 5.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.735 3.805 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.742 2.888 3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.703 4.559 3.685 1.00 0.00 H new ATOM 10 N ILE A 2 -6.318 2.323 3.727 1.00 0.00 N ATOM 11 CA ILE A 2 -4.871 2.144 3.761 1.00 0.00 C ATOM 12 C ILE A 2 -4.183 3.040 2.732 1.00 0.00 C ATOM 13 O ILE A 2 -3.132 3.619 3.002 1.00 0.00 O ATOM 14 CB ILE A 2 -4.481 0.674 3.509 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.980 0.482 3.724 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.885 0.241 2.107 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.599 0.287 5.174 1.00 0.00 C ATOM 0 H ILE A 2 -6.841 1.489 3.459 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.536 2.428 4.759 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.016 0.046 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.646 -0.382 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.451 1.350 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.600 -0.800 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.964 0.343 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.381 0.869 1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.520 0.157 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.902 1.161 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.100 -0.598 5.566 1.00 0.00 H new ATOM 29 N VAL A 3 -4.793 3.154 1.557 1.00 0.00 N ATOM 30 CA VAL A 3 -4.255 3.988 0.486 1.00 0.00 C ATOM 31 C VAL A 3 -4.473 5.470 0.802 1.00 0.00 C ATOM 32 O VAL A 3 -5.215 6.164 0.106 1.00 0.00 O ATOM 33 CB VAL A 3 -4.918 3.651 -0.866 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.413 3.933 -0.820 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.254 4.429 -1.989 1.00 0.00 C ATOM 0 H VAL A 3 -5.664 2.678 1.321 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.186 3.785 0.414 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.784 2.587 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.859 3.688 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.874 3.325 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.578 4.988 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.733 4.181 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.355 5.498 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.197 4.168 -2.037 1.00 0.00 H new ATOM 45 N GLU A 4 -3.835 5.944 1.869 1.00 0.00 N ATOM 46 CA GLU A 4 -3.978 7.340 2.287 1.00 0.00 C ATOM 47 C GLU A 4 -3.039 8.268 1.511 1.00 0.00 C ATOM 48 O GLU A 4 -3.438 8.866 0.513 1.00 0.00 O ATOM 49 CB GLU A 4 -3.741 7.489 3.799 1.00 0.00 C ATOM 50 CG GLU A 4 -2.756 6.486 4.385 1.00 0.00 C ATOM 51 CD GLU A 4 -2.009 7.036 5.585 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.958 8.276 5.735 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.475 6.229 6.373 1.00 0.00 O ATOM 0 H GLU A 4 -3.217 5.387 2.459 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.002 7.637 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.377 8.497 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.695 7.386 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.293 5.584 4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.039 6.195 3.617 1.00 0.00 H new ATOM 60 N GLN A 5 -1.799 8.392 1.980 1.00 0.00 N ATOM 61 CA GLN A 5 -0.811 9.259 1.338 1.00 0.00 C ATOM 62 C GLN A 5 -0.557 8.871 -0.122 1.00 0.00 C ATOM 63 O GLN A 5 0.116 9.598 -0.853 1.00 0.00 O ATOM 64 CB GLN A 5 0.505 9.221 2.120 1.00 0.00 C ATOM 65 CG GLN A 5 1.080 10.599 2.405 1.00 0.00 C ATOM 66 CD GLN A 5 2.460 10.541 3.029 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.372 9.915 2.491 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.618 11.198 4.172 1.00 0.00 N ATOM 0 H GLN A 5 -1.453 7.902 2.805 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.217 10.270 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.343 8.701 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.236 8.640 1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.130 11.166 1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.407 11.138 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.833 11.704 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.524 11.197 4.640 1.00 0.00 H new ATOM 77 N CYS A 6 -1.079 7.722 -0.538 1.00 0.00 N ATOM 78 CA CYS A 6 -0.886 7.239 -1.901 1.00 0.00 C ATOM 79 C CYS A 6 -1.705 8.026 -2.921 1.00 0.00 C ATOM 80 O CYS A 6 -1.171 8.884 -3.622 1.00 0.00 O ATOM 81 CB CYS A 6 -1.217 5.746 -1.969 1.00 0.00 C ATOM 82 SG CYS A 6 0.100 4.660 -1.318 1.00 0.00 S ATOM 0 H CYS A 6 -1.640 7.106 0.051 1.00 0.00 H new ATOM 0 HA CYS A 6 0.161 7.391 -2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.134 5.562 -1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.417 5.476 -3.006 1.00 0.00 H new ATOM 87 N CYS A 7 -2.990 7.714 -3.028 1.00 0.00 N ATOM 88 CA CYS A 7 -3.854 8.382 -3.997 1.00 0.00 C ATOM 89 C CYS A 7 -4.171 9.832 -3.617 1.00 0.00 C ATOM 90 O CYS A 7 -4.935 10.501 -4.313 1.00 0.00 O ATOM 91 CB CYS A 7 -5.146 7.585 -4.184 1.00 0.00 C ATOM 92 SG CYS A 7 -6.095 8.036 -5.674 1.00 0.00 S ATOM 0 H CYS A 7 -3.457 7.007 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.306 8.420 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.901 6.524 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.778 7.728 -3.308 1.00 0.00 H new ATOM 97 N THR A 8 -3.580 10.327 -2.531 1.00 0.00 N ATOM 98 CA THR A 8 -3.810 11.703 -2.110 1.00 0.00 C ATOM 99 C THR A 8 -2.605 12.574 -2.454 1.00 0.00 C ATOM 100 O THR A 8 -2.751 13.720 -2.878 1.00 0.00 O ATOM 101 CB THR A 8 -4.085 11.757 -0.608 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.586 13.029 -0.233 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.857 11.484 0.229 1.00 0.00 C ATOM 0 H THR A 8 -2.944 9.799 -1.933 1.00 0.00 H new ATOM 0 HA THR A 8 -4.681 12.087 -2.642 1.00 0.00 H new ATOM 0 HB THR A 8 -4.820 10.974 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.757 13.042 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.118 11.537 1.286 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.474 10.490 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.092 12.228 0.007 1.00 0.00 H new ATOM 111 N SER A 9 -1.412 12.015 -2.263 1.00 0.00 N ATOM 112 CA SER A 9 -0.174 12.729 -2.548 1.00 0.00 C ATOM 113 C SER A 9 1.000 11.745 -2.650 1.00 0.00 C ATOM 114 O SER A 9 0.906 10.741 -3.357 1.00 0.00 O ATOM 115 CB SER A 9 0.080 13.781 -1.463 1.00 0.00 C ATOM 116 OG SER A 9 -1.046 14.628 -1.302 1.00 0.00 O ATOM 0 H SER A 9 -1.279 11.067 -1.911 1.00 0.00 H new ATOM 0 HA SER A 9 -0.267 13.238 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.306 13.287 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.953 14.377 -1.727 1.00 0.00 H new ATOM 0 HG SER A 9 -1.489 14.751 -2.167 1.00 0.00 H new ATOM 122 N ILE A 10 2.101 12.024 -1.949 1.00 0.00 N ATOM 123 CA ILE A 10 3.263 11.145 -1.981 1.00 0.00 C ATOM 124 C ILE A 10 3.059 9.946 -1.060 1.00 0.00 C ATOM 125 O ILE A 10 2.432 10.062 -0.007 1.00 0.00 O ATOM 126 CB ILE A 10 4.547 11.891 -1.569 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.638 13.237 -2.290 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.772 11.041 -1.869 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.762 13.110 -3.794 1.00 0.00 C ATOM 0 H ILE A 10 2.209 12.847 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 10 3.376 10.798 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 10 4.511 12.078 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.752 13.827 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.498 13.787 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.671 11.581 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.711 10.106 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.813 10.826 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.822 14.103 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.663 12.548 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.890 12.588 -4.188 1.00 0.00 H new ATOM 141 N CYS A 11 3.575 8.790 -1.469 1.00 0.00 N ATOM 142 CA CYS A 11 3.431 7.569 -0.682 1.00 0.00 C ATOM 143 C CYS A 11 4.753 6.825 -0.546 1.00 0.00 C ATOM 144 O CYS A 11 5.810 7.323 -0.933 1.00 0.00 O ATOM 145 CB CYS A 11 2.396 6.649 -1.330 1.00 0.00 C ATOM 146 SG CYS A 11 1.238 5.876 -0.153 1.00 0.00 S ATOM 0 H CYS A 11 4.095 8.673 -2.339 1.00 0.00 H new ATOM 0 HA CYS A 11 3.100 7.859 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.825 7.222 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.917 5.864 -1.878 1.00 0.00 H new ATOM 151 N SER A 12 4.670 5.615 -0.001 1.00 0.00 N ATOM 152 CA SER A 12 5.837 4.768 0.188 1.00 0.00 C ATOM 153 C SER A 12 5.500 3.328 -0.184 1.00 0.00 C ATOM 154 O SER A 12 4.679 2.685 0.468 1.00 0.00 O ATOM 155 CB SER A 12 6.317 4.837 1.639 1.00 0.00 C ATOM 156 OG SER A 12 7.329 5.816 1.797 1.00 0.00 O ATOM 0 H SER A 12 3.796 5.198 0.320 1.00 0.00 H new ATOM 0 HA SER A 12 6.637 5.125 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.476 5.070 2.292 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.698 3.863 1.946 1.00 0.00 H new ATOM 0 HG SER A 12 7.617 5.841 2.733 1.00 0.00 H new ATOM 162 N LEU A 13 6.131 2.830 -1.244 1.00 0.00 N ATOM 163 CA LEU A 13 5.890 1.468 -1.713 1.00 0.00 C ATOM 164 C LEU A 13 5.894 0.472 -0.558 1.00 0.00 C ATOM 165 O LEU A 13 5.092 -0.460 -0.530 1.00 0.00 O ATOM 166 CB LEU A 13 6.942 1.072 -2.744 1.00 0.00 C ATOM 167 CG LEU A 13 6.908 -0.399 -3.170 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.565 -0.528 -4.645 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.237 -1.073 -2.868 1.00 0.00 C ATOM 0 H LEU A 13 6.814 3.350 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 13 4.904 1.445 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.814 1.694 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.929 1.295 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 13 6.129 -0.901 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.547 -1.582 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.586 -0.087 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.316 -0.008 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.194 -2.117 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.034 -0.566 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.437 -1.020 -1.798 1.00 0.00 H new ATOM 181 N TYR A 14 6.792 0.677 0.398 1.00 0.00 N ATOM 182 CA TYR A 14 6.883 -0.207 1.554 1.00 0.00 C ATOM 183 C TYR A 14 5.506 -0.356 2.195 1.00 0.00 C ATOM 184 O TYR A 14 5.164 -1.408 2.735 1.00 0.00 O ATOM 185 CB TYR A 14 7.908 0.344 2.559 1.00 0.00 C ATOM 186 CG TYR A 14 7.423 0.394 3.995 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.740 1.503 4.479 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.651 -0.668 4.863 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.297 1.552 5.788 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.210 -0.625 6.173 1.00 0.00 C ATOM 191 CZ TYR A 14 6.535 0.487 6.630 1.00 0.00 C ATOM 192 OH TYR A 14 6.094 0.533 7.933 1.00 0.00 O ATOM 0 H TYR A 14 7.465 1.444 0.396 1.00 0.00 H new ATOM 0 HA TYR A 14 7.222 -1.193 1.235 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.807 -0.271 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.194 1.350 2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.552 2.340 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.181 -1.540 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.767 2.421 6.149 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.393 -1.458 6.835 1.00 0.00 H new ATOM 0 HH TYR A 14 6.342 -0.297 8.392 1.00 0.00 H new ATOM 202 N GLN A 15 4.725 0.713 2.118 1.00 0.00 N ATOM 203 CA GLN A 15 3.383 0.729 2.675 1.00 0.00 C ATOM 204 C GLN A 15 2.421 -0.090 1.819 1.00 0.00 C ATOM 205 O GLN A 15 1.433 -0.619 2.324 1.00 0.00 O ATOM 206 CB GLN A 15 2.885 2.169 2.786 1.00 0.00 C ATOM 207 CG GLN A 15 3.739 3.041 3.691 1.00 0.00 C ATOM 208 CD GLN A 15 3.196 4.450 3.821 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.928 5.119 2.823 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.030 4.909 5.056 1.00 0.00 N ATOM 0 H GLN A 15 5.003 1.587 1.671 1.00 0.00 H new ATOM 0 HA GLN A 15 3.420 0.279 3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.856 2.612 1.791 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.862 2.163 3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.798 2.585 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.755 3.081 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.265 4.320 5.855 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.667 5.851 5.206 1.00 0.00 H new ATOM 219 N LEU A 16 2.712 -0.191 0.522 1.00 0.00 N ATOM 220 CA LEU A 16 1.856 -0.949 -0.391 1.00 0.00 C ATOM 221 C LEU A 16 1.791 -2.417 0.019 1.00 0.00 C ATOM 222 O LEU A 16 0.758 -3.067 -0.134 1.00 0.00 O ATOM 223 CB LEU A 16 2.365 -0.822 -1.831 1.00 0.00 C ATOM 224 CG LEU A 16 2.152 0.544 -2.497 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.786 0.618 -3.149 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.298 1.673 -1.499 1.00 0.00 C ATOM 0 H LEU A 16 3.526 0.238 0.083 1.00 0.00 H new ATOM 0 HA LEU A 16 0.850 -0.533 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.431 -1.047 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.873 -1.582 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 16 2.921 0.654 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.657 1.595 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.703 -0.160 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.014 0.472 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.141 2.627 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.559 1.556 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.299 1.651 -1.068 1.00 0.00 H new ATOM 238 N GLU A 17 2.898 -2.934 0.543 1.00 0.00 N ATOM 239 CA GLU A 17 2.958 -4.329 0.976 1.00 0.00 C ATOM 240 C GLU A 17 1.841 -4.636 1.968 1.00 0.00 C ATOM 241 O GLU A 17 1.346 -5.761 2.032 1.00 0.00 O ATOM 242 CB GLU A 17 4.320 -4.627 1.609 1.00 0.00 C ATOM 243 CG GLU A 17 4.945 -5.924 1.126 1.00 0.00 C ATOM 244 CD GLU A 17 5.580 -6.718 2.251 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.553 -6.218 2.855 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.104 -7.839 2.529 1.00 0.00 O ATOM 0 H GLU A 17 3.764 -2.412 0.678 1.00 0.00 H new ATOM 0 HA GLU A 17 2.826 -4.965 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.000 -3.803 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.206 -4.670 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.182 -6.533 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.700 -5.701 0.372 1.00 0.00 H new ATOM 253 N ASN A 18 1.443 -3.625 2.735 1.00 0.00 N ATOM 254 CA ASN A 18 0.378 -3.783 3.719 1.00 0.00 C ATOM 255 C ASN A 18 -0.995 -3.783 3.045 1.00 0.00 C ATOM 256 O ASN A 18 -2.008 -4.078 3.682 1.00 0.00 O ATOM 257 CB ASN A 18 0.450 -2.662 4.760 1.00 0.00 C ATOM 258 CG ASN A 18 0.650 -3.190 6.167 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.132 -2.897 7.071 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.706 -3.972 6.360 1.00 0.00 N ATOM 0 H ASN A 18 1.843 -2.687 2.694 1.00 0.00 H new ATOM 0 HA ASN A 18 0.516 -4.743 4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.269 -1.988 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.468 -2.076 4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.894 -4.355 7.286 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.329 -4.189 5.582 1.00 0.00 H new ATOM 267 N TYR A 19 -1.023 -3.453 1.757 1.00 0.00 N ATOM 268 CA TYR A 19 -2.266 -3.417 1.000 1.00 0.00 C ATOM 269 C TYR A 19 -2.604 -4.808 0.469 1.00 0.00 C ATOM 270 O TYR A 19 -3.774 -5.165 0.324 1.00 0.00 O ATOM 271 CB TYR A 19 -2.151 -2.430 -0.168 1.00 0.00 C ATOM 272 CG TYR A 19 -1.949 -0.985 0.240 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.070 -0.636 1.260 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.630 0.036 -0.411 1.00 0.00 C ATOM 275 CE1 TYR A 19 -0.877 0.684 1.617 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.443 1.358 -0.057 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.566 1.676 0.956 1.00 0.00 C ATOM 278 OH TYR A 19 -1.374 2.993 1.311 1.00 0.00 O ATOM 0 H TYR A 19 -0.194 -3.206 1.216 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.064 -3.087 1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.318 -2.734 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.054 -2.499 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.529 -1.411 1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.317 -0.208 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.189 0.937 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.982 2.139 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.841 3.176 2.153 1.00 0.00 H new ATOM 288 N CYS A 20 -1.563 -5.589 0.185 1.00 0.00 N ATOM 289 CA CYS A 20 -1.723 -6.948 -0.328 1.00 0.00 C ATOM 290 C CYS A 20 -2.683 -7.753 0.546 1.00 0.00 C ATOM 291 O CYS A 20 -2.798 -7.504 1.746 1.00 0.00 O ATOM 292 CB CYS A 20 -0.353 -7.635 -0.389 1.00 0.00 C ATOM 293 SG CYS A 20 -0.407 -9.431 -0.718 1.00 0.00 S ATOM 0 H CYS A 20 -0.592 -5.300 0.303 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.148 -6.897 -1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.243 -7.156 -1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.163 -7.469 0.557 1.00 0.00 H new ATOM 298 N ASN A 21 -3.369 -8.719 -0.062 1.00 0.00 N ATOM 299 CA ASN A 21 -4.318 -9.558 0.667 1.00 0.00 C ATOM 300 C ASN A 21 -5.032 -10.522 -0.275 1.00 0.00 C ATOM 301 O ASN A 21 -4.677 -10.637 -1.447 1.00 0.00 O ATOM 302 CB ASN A 21 -5.346 -8.693 1.404 1.00 0.00 C ATOM 303 CG ASN A 21 -5.566 -9.150 2.834 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.613 -9.394 3.573 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.829 -9.269 3.230 1.00 0.00 N ATOM 0 H ASN A 21 -3.286 -8.940 -1.054 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.755 -10.140 1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.011 -7.656 1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.294 -8.722 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.039 -9.573 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.588 -9.056 2.583 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 10.932 2.510 -2.589 1.00 0.00 N ATOM 314 CA PHE B 1 11.606 2.629 -3.876 1.00 0.00 C ATOM 315 C PHE B 1 11.064 3.810 -4.684 1.00 0.00 C ATOM 316 O PHE B 1 11.723 4.298 -5.601 1.00 0.00 O ATOM 317 CB PHE B 1 11.472 1.324 -4.656 1.00 0.00 C ATOM 318 CG PHE B 1 10.329 1.337 -5.602 1.00 0.00 C ATOM 319 CD1 PHE B 1 9.066 1.648 -5.149 1.00 0.00 C ATOM 320 CD2 PHE B 1 10.520 1.069 -6.938 1.00 0.00 C ATOM 321 CE1 PHE B 1 8.004 1.688 -6.012 1.00 0.00 C ATOM 322 CE2 PHE B 1 9.465 1.108 -7.816 1.00 0.00 C ATOM 323 CZ PHE B 1 8.196 1.418 -7.354 1.00 0.00 C ATOM 0 H1 PHE B 1 11.585 2.098 -1.892 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.630 3.452 -2.267 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.099 1.895 -2.689 1.00 0.00 H new ATOM 0 HA PHE B 1 12.663 2.822 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.393 1.139 -5.208 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.349 0.498 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.912 1.863 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.508 0.826 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.018 1.930 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.624 0.898 -8.863 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.361 1.449 -8.039 1.00 0.00 H new ATOM 333 N VAL B 2 9.863 4.267 -4.338 1.00 0.00 N ATOM 334 CA VAL B 2 9.248 5.390 -5.036 1.00 0.00 C ATOM 335 C VAL B 2 8.851 6.492 -4.058 1.00 0.00 C ATOM 336 O VAL B 2 8.650 6.242 -2.868 1.00 0.00 O ATOM 337 CB VAL B 2 8.017 4.934 -5.857 1.00 0.00 C ATOM 338 CG1 VAL B 2 6.918 5.991 -5.879 1.00 0.00 C ATOM 339 CG2 VAL B 2 8.440 4.581 -7.272 1.00 0.00 C ATOM 0 H VAL B 2 9.299 3.878 -3.582 1.00 0.00 H new ATOM 0 HA VAL B 2 9.990 5.791 -5.726 1.00 0.00 H new ATOM 0 HB VAL B 2 7.604 4.050 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.075 5.627 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL B 2 6.589 6.195 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.303 6.907 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.568 4.261 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.885 5.455 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.171 3.773 -7.242 1.00 0.00 H new ATOM 349 N ASN B 3 8.742 7.712 -4.571 1.00 0.00 N ATOM 350 CA ASN B 3 8.372 8.859 -3.752 1.00 0.00 C ATOM 351 C ASN B 3 7.526 9.847 -4.550 1.00 0.00 C ATOM 352 O ASN B 3 7.833 11.038 -4.611 1.00 0.00 O ATOM 353 CB ASN B 3 9.625 9.555 -3.216 1.00 0.00 C ATOM 354 CG ASN B 3 9.426 10.105 -1.817 1.00 0.00 C ATOM 355 OD1 ASN B 3 9.431 11.318 -1.608 1.00 0.00 O ATOM 356 ND2 ASN B 3 9.250 9.213 -0.849 1.00 0.00 N ATOM 0 H ASN B 3 8.905 7.932 -5.553 1.00 0.00 H new ATOM 0 HA ASN B 3 7.779 8.499 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.456 8.849 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.901 10.368 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.112 9.524 0.112 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.253 8.217 -1.067 1.00 0.00 H new ATOM 363 N GLN B 4 6.458 9.344 -5.159 1.00 0.00 N ATOM 364 CA GLN B 4 5.565 10.179 -5.953 1.00 0.00 C ATOM 365 C GLN B 4 4.115 9.725 -5.789 1.00 0.00 C ATOM 366 O GLN B 4 3.791 8.979 -4.864 1.00 0.00 O ATOM 367 CB GLN B 4 5.972 10.133 -7.430 1.00 0.00 C ATOM 368 CG GLN B 4 5.740 8.782 -8.088 1.00 0.00 C ATOM 369 CD GLN B 4 6.269 8.724 -9.507 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.231 9.410 -9.852 1.00 0.00 O ATOM 371 NE2 GLN B 4 5.640 7.902 -10.340 1.00 0.00 N ATOM 0 H GLN B 4 6.190 8.361 -5.118 1.00 0.00 H new ATOM 0 HA GLN B 4 5.646 11.206 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.413 10.893 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.027 10.392 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.221 8.005 -7.493 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.672 8.564 -8.094 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.847 7.352 -10.011 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.951 7.821 -11.308 1.00 0.00 H new ATOM 380 N HIS B 5 3.246 10.181 -6.686 1.00 0.00 N ATOM 381 CA HIS B 5 1.833 9.820 -6.634 1.00 0.00 C ATOM 382 C HIS B 5 1.654 8.307 -6.678 1.00 0.00 C ATOM 383 O HIS B 5 2.304 7.619 -7.464 1.00 0.00 O ATOM 384 CB HIS B 5 1.077 10.461 -7.795 1.00 0.00 C ATOM 385 CG HIS B 5 0.763 11.909 -7.578 1.00 0.00 C ATOM 386 ND1 HIS B 5 0.031 12.662 -8.471 1.00 0.00 N ATOM 387 CD2 HIS B 5 1.084 12.742 -6.560 1.00 0.00 C ATOM 388 CE1 HIS B 5 -0.083 13.896 -8.014 1.00 0.00 C ATOM 389 NE2 HIS B 5 0.546 13.971 -6.855 1.00 0.00 N ATOM 0 H HIS B 5 3.495 10.801 -7.457 1.00 0.00 H new ATOM 0 HA HIS B 5 1.427 10.191 -5.693 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.669 10.358 -8.704 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.147 9.916 -7.957 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.656 12.488 -5.680 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.602 14.706 -8.505 1.00 0.00 H new ATOM 0 HE2 HIS B 5 0.620 14.806 -6.274 1.00 0.00 H new ATOM 398 N LEU B 6 0.768 7.799 -5.830 1.00 0.00 N ATOM 399 CA LEU B 6 0.503 6.367 -5.770 1.00 0.00 C ATOM 400 C LEU B 6 -0.998 6.091 -5.788 1.00 0.00 C ATOM 401 O LEU B 6 -1.667 6.164 -4.763 1.00 0.00 O ATOM 402 CB LEU B 6 1.140 5.769 -4.513 1.00 0.00 C ATOM 403 CG LEU B 6 2.468 5.045 -4.741 1.00 0.00 C ATOM 404 CD1 LEU B 6 2.222 3.649 -5.280 1.00 0.00 C ATOM 405 CD2 LEU B 6 3.356 5.830 -5.695 1.00 0.00 C ATOM 0 H LEU B 6 0.221 8.357 -5.175 1.00 0.00 H new ATOM 0 HA LEU B 6 0.944 5.897 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.299 6.569 -3.790 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.435 5.069 -4.065 1.00 0.00 H new ATOM 0 HG LEU B 6 2.982 4.966 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.176 3.146 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.627 3.082 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.686 3.714 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.295 5.295 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.849 5.943 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.561 6.814 -5.274 1.00 0.00 H new ATOM 417 N CYS B 7 -1.522 5.784 -6.961 1.00 0.00 N ATOM 418 CA CYS B 7 -2.943 5.510 -7.109 1.00 0.00 C ATOM 419 C CYS B 7 -3.208 4.730 -8.393 1.00 0.00 C ATOM 420 O CYS B 7 -2.367 4.698 -9.292 1.00 0.00 O ATOM 421 CB CYS B 7 -3.714 6.828 -7.107 1.00 0.00 C ATOM 422 SG CYS B 7 -5.526 6.651 -7.046 1.00 0.00 S ATOM 0 H CYS B 7 -0.986 5.718 -7.826 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.281 4.898 -6.272 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.392 7.420 -6.251 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.448 7.390 -8.002 1.00 0.00 H new HETATM 427 N DSN B 8 -4.379 4.107 -8.478 1.00 0.00 N HETATM 428 CA DSN B 8 -4.749 3.339 -9.651 1.00 0.00 C HETATM 429 C DSN B 8 -3.629 2.376 -10.061 1.00 0.00 C HETATM 430 O DSN B 8 -2.855 1.928 -9.215 1.00 0.00 O HETATM 431 CB DSN B 8 -5.974 2.456 -9.305 1.00 0.00 C HETATM 432 OG DSN B 8 -7.202 2.976 -9.826 1.00 0.00 O HETATM 0 HG DSN B 8 -7.940 2.380 -9.580 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -5.815 1.452 -9.699 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -6.055 2.364 -8.222 1.00 0.00 H new HETATM 0 HA DSN B 8 -4.955 4.043 -10.457 1.00 0.00 H new HETATM 0 H2 DSN B 8 -5.029 4.791 -8.090 1.00 0.00 H new ATOM 438 N SER B 9 -3.551 2.051 -11.353 1.00 0.00 N ATOM 439 CA SER B 9 -2.537 1.128 -11.876 1.00 0.00 C ATOM 440 C SER B 9 -1.100 1.504 -11.473 1.00 0.00 C ATOM 441 O SER B 9 -0.148 0.845 -11.892 1.00 0.00 O ATOM 442 CB SER B 9 -2.634 1.069 -13.400 1.00 0.00 C ATOM 443 OG SER B 9 -2.053 2.217 -13.993 1.00 0.00 O ATOM 0 H SER B 9 -4.184 2.417 -12.064 1.00 0.00 H new ATOM 0 HA SER B 9 -2.746 0.154 -11.434 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.131 0.173 -13.765 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.680 0.992 -13.698 1.00 0.00 H new ATOM 0 HG SER B 9 -2.126 2.154 -14.968 1.00 0.00 H new ATOM 449 N ASP B 10 -0.941 2.537 -10.652 1.00 0.00 N ATOM 450 CA ASP B 10 0.382 2.958 -10.204 1.00 0.00 C ATOM 451 C ASP B 10 0.735 2.232 -8.925 1.00 0.00 C ATOM 452 O ASP B 10 1.715 1.489 -8.869 1.00 0.00 O ATOM 453 CB ASP B 10 0.429 4.470 -9.982 1.00 0.00 C ATOM 454 CG ASP B 10 -0.157 5.243 -11.147 1.00 0.00 C ATOM 455 OD1 ASP B 10 -1.311 4.955 -11.530 1.00 0.00 O ATOM 456 OD2 ASP B 10 0.537 6.136 -11.676 1.00 0.00 O ATOM 0 H ASP B 10 -1.710 3.097 -10.284 1.00 0.00 H new ATOM 0 HA ASP B 10 1.109 2.709 -10.977 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.118 4.718 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.462 4.780 -9.827 1.00 0.00 H new ATOM 461 N LEU B 11 -0.102 2.406 -7.911 1.00 0.00 N ATOM 462 CA LEU B 11 0.098 1.721 -6.663 1.00 0.00 C ATOM 463 C LEU B 11 -0.217 0.253 -6.892 1.00 0.00 C ATOM 464 O LEU B 11 0.230 -0.621 -6.149 1.00 0.00 O ATOM 465 CB LEU B 11 -0.770 2.346 -5.570 1.00 0.00 C ATOM 466 CG LEU B 11 -1.903 1.476 -5.029 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.005 1.587 -3.524 1.00 0.00 C ATOM 468 CD2 LEU B 11 -3.200 1.885 -5.673 1.00 0.00 C ATOM 0 H LEU B 11 -0.920 3.015 -7.938 1.00 0.00 H new ATOM 0 HA LEU B 11 1.129 1.813 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.124 2.625 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.202 3.267 -5.961 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.689 0.435 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.820 0.957 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.069 1.261 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.200 2.623 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.009 1.265 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.405 2.931 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.127 1.756 -6.753 1.00 0.00 H new ATOM 480 N VAL B 12 -0.961 -0.003 -7.970 1.00 0.00 N ATOM 481 CA VAL B 12 -1.305 -1.352 -8.354 1.00 0.00 C ATOM 482 C VAL B 12 -0.016 -2.120 -8.599 1.00 0.00 C ATOM 483 O VAL B 12 0.166 -3.234 -8.109 1.00 0.00 O ATOM 484 CB VAL B 12 -2.179 -1.374 -9.627 1.00 0.00 C ATOM 485 CG1 VAL B 12 -2.174 -2.738 -10.272 1.00 0.00 C ATOM 486 CG2 VAL B 12 -3.604 -0.964 -9.319 1.00 0.00 C ATOM 0 H VAL B 12 -1.333 0.718 -8.588 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.884 -1.813 -7.554 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.748 -0.655 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.798 -2.720 -11.165 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.154 -3.007 -10.547 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.566 -3.474 -9.570 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.196 -0.989 -10.234 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.032 -1.654 -8.591 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.612 0.046 -8.909 1.00 0.00 H new ATOM 496 N GLU B 13 0.899 -1.486 -9.338 1.00 0.00 N ATOM 497 CA GLU B 13 2.198 -2.082 -9.616 1.00 0.00 C ATOM 498 C GLU B 13 2.842 -2.478 -8.295 1.00 0.00 C ATOM 499 O GLU B 13 3.066 -3.658 -8.030 1.00 0.00 O ATOM 500 CB GLU B 13 3.093 -1.097 -10.370 1.00 0.00 C ATOM 501 CG GLU B 13 3.978 -1.756 -11.415 1.00 0.00 C ATOM 502 CD GLU B 13 3.185 -2.352 -12.562 1.00 0.00 C ATOM 503 OE1 GLU B 13 2.393 -1.612 -13.184 1.00 0.00 O ATOM 504 OE2 GLU B 13 3.356 -3.558 -12.837 1.00 0.00 O ATOM 0 H GLU B 13 0.760 -0.564 -9.751 1.00 0.00 H new ATOM 0 HA GLU B 13 2.069 -2.963 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.467 -0.349 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.722 -0.569 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.679 -1.020 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.570 -2.540 -10.942 1.00 0.00 H new ATOM 511 N ALA B 14 3.091 -1.478 -7.447 1.00 0.00 N ATOM 512 CA ALA B 14 3.659 -1.719 -6.127 1.00 0.00 C ATOM 513 C ALA B 14 2.891 -2.848 -5.453 1.00 0.00 C ATOM 514 O ALA B 14 3.445 -3.904 -5.195 1.00 0.00 O ATOM 515 CB ALA B 14 3.615 -0.449 -5.291 1.00 0.00 C ATOM 0 H ALA B 14 2.907 -0.496 -7.654 1.00 0.00 H new ATOM 0 HA ALA B 14 4.704 -2.012 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.043 -0.646 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.190 0.333 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.581 -0.123 -5.178 1.00 0.00 H new ATOM 521 N LEU B 15 1.593 -2.628 -5.220 1.00 0.00 N ATOM 522 CA LEU B 15 0.723 -3.645 -4.624 1.00 0.00 C ATOM 523 C LEU B 15 1.101 -5.021 -5.154 1.00 0.00 C ATOM 524 O LEU B 15 1.455 -5.918 -4.397 1.00 0.00 O ATOM 525 CB LEU B 15 -0.730 -3.362 -5.005 1.00 0.00 C ATOM 526 CG LEU B 15 -1.623 -2.877 -3.869 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.825 -3.956 -2.832 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.038 -1.654 -3.233 1.00 0.00 C ATOM 0 H LEU B 15 1.121 -1.750 -5.437 1.00 0.00 H new ATOM 0 HA LEU B 15 0.840 -3.618 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.741 -2.613 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.162 -4.272 -5.421 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.596 -2.628 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.466 -3.579 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.295 -4.823 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.860 -4.245 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.687 -1.319 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.051 -1.888 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.950 -0.863 -3.978 1.00 0.00 H new ATOM 540 N TYR B 16 1.052 -5.155 -6.473 1.00 0.00 N ATOM 541 CA TYR B 16 1.420 -6.397 -7.134 1.00 0.00 C ATOM 542 C TYR B 16 2.825 -6.806 -6.712 1.00 0.00 C ATOM 543 O TYR B 16 3.073 -7.935 -6.286 1.00 0.00 O ATOM 544 CB TYR B 16 1.381 -6.195 -8.649 1.00 0.00 C ATOM 545 CG TYR B 16 0.058 -6.525 -9.285 1.00 0.00 C ATOM 546 CD1 TYR B 16 -0.668 -7.637 -8.890 1.00 0.00 C ATOM 547 CD2 TYR B 16 -0.462 -5.716 -10.286 1.00 0.00 C ATOM 548 CE1 TYR B 16 -1.883 -7.937 -9.476 1.00 0.00 C ATOM 549 CE2 TYR B 16 -1.676 -6.007 -10.878 1.00 0.00 C ATOM 550 CZ TYR B 16 -2.384 -7.120 -10.469 1.00 0.00 C ATOM 551 OH TYR B 16 -3.593 -7.415 -11.055 1.00 0.00 O ATOM 0 H TYR B 16 0.759 -4.413 -7.108 1.00 0.00 H new ATOM 0 HA TYR B 16 0.717 -7.180 -6.851 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.629 -5.157 -8.872 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.154 -6.812 -9.106 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.279 -8.278 -8.113 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.091 -4.846 -10.607 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.438 -8.807 -9.158 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.069 -5.368 -11.655 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.801 -6.740 -11.734 1.00 0.00 H new ATOM 561 N LEU B 17 3.736 -5.851 -6.833 1.00 0.00 N ATOM 562 CA LEU B 17 5.131 -6.040 -6.474 1.00 0.00 C ATOM 563 C LEU B 17 5.270 -6.371 -4.990 1.00 0.00 C ATOM 564 O LEU B 17 5.666 -7.474 -4.615 1.00 0.00 O ATOM 565 CB LEU B 17 5.900 -4.757 -6.787 1.00 0.00 C ATOM 566 CG LEU B 17 6.410 -4.610 -8.224 1.00 0.00 C ATOM 567 CD1 LEU B 17 5.272 -4.752 -9.225 1.00 0.00 C ATOM 568 CD2 LEU B 17 7.097 -3.265 -8.399 1.00 0.00 C ATOM 0 H LEU B 17 3.525 -4.917 -7.186 1.00 0.00 H new ATOM 0 HA LEU B 17 5.536 -6.873 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.255 -3.907 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.754 -4.695 -6.112 1.00 0.00 H new ATOM 0 HG LEU B 17 7.130 -5.406 -8.413 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.662 -4.643 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.813 -5.734 -9.117 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.525 -3.980 -9.039 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.456 -3.170 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.388 -2.464 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.940 -3.195 -7.711 1.00 0.00 H new ATOM 580 N VAL B 18 4.933 -5.391 -4.159 1.00 0.00 N ATOM 581 CA VAL B 18 5.001 -5.526 -2.710 1.00 0.00 C ATOM 582 C VAL B 18 4.281 -6.779 -2.232 1.00 0.00 C ATOM 583 O VAL B 18 4.835 -7.565 -1.464 1.00 0.00 O ATOM 584 CB VAL B 18 4.387 -4.297 -2.015 1.00 0.00 C ATOM 585 CG1 VAL B 18 5.079 -3.026 -2.476 1.00 0.00 C ATOM 586 CG2 VAL B 18 2.891 -4.215 -2.281 1.00 0.00 C ATOM 0 H VAL B 18 4.604 -4.478 -4.473 1.00 0.00 H new ATOM 0 HA VAL B 18 6.056 -5.604 -2.447 1.00 0.00 H new ATOM 0 HB VAL B 18 4.536 -4.404 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.633 -2.167 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.139 -3.079 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.962 -2.919 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.480 -3.339 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.716 -4.135 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.404 -5.113 -1.900 1.00 0.00 H new ATOM 596 N CYS B 19 3.042 -6.961 -2.688 1.00 0.00 N ATOM 597 CA CYS B 19 2.257 -8.129 -2.294 1.00 0.00 C ATOM 598 C CYS B 19 3.093 -9.406 -2.403 1.00 0.00 C ATOM 599 O CYS B 19 2.875 -10.366 -1.665 1.00 0.00 O ATOM 600 CB CYS B 19 0.999 -8.231 -3.156 1.00 0.00 C ATOM 601 SG CYS B 19 -0.112 -9.610 -2.722 1.00 0.00 S ATOM 0 H CYS B 19 2.565 -6.322 -3.324 1.00 0.00 H new ATOM 0 HA CYS B 19 1.957 -8.012 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.444 -7.296 -3.077 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.297 -8.337 -4.199 1.00 0.00 H new ATOM 606 N GLY B 20 4.063 -9.399 -3.317 1.00 0.00 N ATOM 607 CA GLY B 20 4.932 -10.551 -3.490 1.00 0.00 C ATOM 608 C GLY B 20 4.376 -11.566 -4.464 1.00 0.00 C ATOM 609 O GLY B 20 4.435 -12.771 -4.216 1.00 0.00 O ATOM 0 H GLY B 20 4.262 -8.616 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.908 -10.215 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.089 -11.030 -2.524 1.00 0.00 H new ATOM 613 N GLU B 21 3.831 -11.082 -5.575 1.00 0.00 N ATOM 614 CA GLU B 21 3.261 -11.959 -6.591 1.00 0.00 C ATOM 615 C GLU B 21 2.296 -12.965 -5.967 1.00 0.00 C ATOM 616 O GLU B 21 2.050 -14.034 -6.528 1.00 0.00 O ATOM 617 CB GLU B 21 4.373 -12.696 -7.338 1.00 0.00 C ATOM 618 CG GLU B 21 5.074 -11.840 -8.379 1.00 0.00 C ATOM 619 CD GLU B 21 4.230 -11.621 -9.620 1.00 0.00 C ATOM 620 OE1 GLU B 21 4.052 -12.585 -10.395 1.00 0.00 O ATOM 621 OE2 GLU B 21 3.746 -10.486 -9.816 1.00 0.00 O ATOM 0 H GLU B 21 3.772 -10.088 -5.795 1.00 0.00 H new ATOM 0 HA GLU B 21 2.705 -11.342 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.109 -13.053 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.952 -13.575 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.325 -10.874 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.013 -12.316 -8.662 1.00 0.00 H new ATOM 628 N ARG B 22 1.747 -12.614 -4.808 1.00 0.00 N ATOM 629 CA ARG B 22 0.807 -13.480 -4.114 1.00 0.00 C ATOM 630 C ARG B 22 -0.622 -13.144 -4.521 1.00 0.00 C ATOM 631 O ARG B 22 -1.496 -14.009 -4.536 1.00 0.00 O ATOM 632 CB ARG B 22 0.969 -13.342 -2.598 1.00 0.00 C ATOM 633 CG ARG B 22 1.991 -14.298 -2.003 1.00 0.00 C ATOM 634 CD ARG B 22 1.682 -15.744 -2.361 1.00 0.00 C ATOM 635 NE ARG B 22 0.258 -16.049 -2.235 1.00 0.00 N ATOM 636 CZ ARG B 22 -0.334 -17.085 -2.825 1.00 0.00 C ATOM 637 NH1 ARG B 22 0.372 -17.921 -3.577 1.00 0.00 N ATOM 638 NH2 ARG B 22 -1.634 -17.285 -2.661 1.00 0.00 N ATOM 0 H ARG B 22 1.939 -11.733 -4.331 1.00 0.00 H new ATOM 0 HA ARG B 22 1.019 -14.512 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.263 -12.319 -2.365 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.004 -13.513 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.986 -14.038 -2.364 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.006 -14.186 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.006 -15.941 -3.383 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.253 -16.408 -1.712 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.316 -15.431 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.373 -17.771 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.086 -18.713 -4.027 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.180 -16.645 -2.083 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.089 -18.078 -3.113 1.00 0.00 H new ATOM 652 N GLY B 23 -0.846 -11.877 -4.862 1.00 0.00 N ATOM 653 CA GLY B 23 -2.166 -11.447 -5.278 1.00 0.00 C ATOM 654 C GLY B 23 -2.763 -10.391 -4.367 1.00 0.00 C ATOM 655 O GLY B 23 -2.910 -10.602 -3.162 1.00 0.00 O ATOM 0 H GLY B 23 -0.137 -11.144 -4.857 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.110 -11.053 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.830 -12.311 -5.307 1.00 0.00 H new ATOM 659 N PHE B 24 -3.127 -9.259 -4.954 1.00 0.00 N ATOM 660 CA PHE B 24 -3.737 -8.170 -4.204 1.00 0.00 C ATOM 661 C PHE B 24 -5.015 -7.718 -4.893 1.00 0.00 C ATOM 662 O PHE B 24 -5.478 -8.330 -5.855 1.00 0.00 O ATOM 663 CB PHE B 24 -2.779 -6.966 -4.073 1.00 0.00 C ATOM 664 CG PHE B 24 -2.884 -5.981 -5.208 1.00 0.00 C ATOM 665 CD1 PHE B 24 -2.363 -6.287 -6.449 1.00 0.00 C ATOM 666 CD2 PHE B 24 -3.506 -4.751 -5.036 1.00 0.00 C ATOM 667 CE1 PHE B 24 -2.456 -5.396 -7.493 1.00 0.00 C ATOM 668 CE2 PHE B 24 -3.595 -3.856 -6.080 1.00 0.00 C ATOM 669 CZ PHE B 24 -3.069 -4.181 -7.311 1.00 0.00 C ATOM 0 H PHE B 24 -3.010 -9.071 -5.950 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.962 -8.542 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.985 -6.450 -3.135 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.754 -7.333 -4.016 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.876 -7.239 -6.602 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.924 -4.493 -4.074 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.046 -5.653 -8.458 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.077 -2.901 -5.933 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.139 -3.482 -8.131 1.00 0.00 H new ATOM 679 N PHE B 25 -5.543 -6.616 -4.408 1.00 0.00 N ATOM 680 CA PHE B 25 -6.733 -6.008 -4.960 1.00 0.00 C ATOM 681 C PHE B 25 -6.641 -4.514 -4.698 1.00 0.00 C ATOM 682 O PHE B 25 -6.010 -3.789 -5.453 1.00 0.00 O ATOM 683 CB PHE B 25 -7.999 -6.610 -4.340 1.00 0.00 C ATOM 684 CG PHE B 25 -8.607 -7.712 -5.162 1.00 0.00 C ATOM 685 CD1 PHE B 25 -8.816 -7.547 -6.521 1.00 0.00 C ATOM 686 CD2 PHE B 25 -8.970 -8.913 -4.572 1.00 0.00 C ATOM 687 CE1 PHE B 25 -9.375 -8.558 -7.278 1.00 0.00 C ATOM 688 CE2 PHE B 25 -9.530 -9.927 -5.324 1.00 0.00 C ATOM 689 CZ PHE B 25 -9.733 -9.750 -6.679 1.00 0.00 C ATOM 0 H PHE B 25 -5.154 -6.112 -3.611 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.797 -6.198 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.760 -6.997 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.738 -5.820 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.539 -6.617 -6.995 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.813 -9.057 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.532 -8.417 -8.337 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.809 -10.858 -4.853 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.171 -10.542 -7.269 1.00 0.00 H new ATOM 699 N TYR B 26 -7.232 -4.069 -3.606 1.00 0.00 N ATOM 700 CA TYR B 26 -7.156 -2.674 -3.218 1.00 0.00 C ATOM 701 C TYR B 26 -7.582 -2.491 -1.757 1.00 0.00 C ATOM 702 O TYR B 26 -7.276 -3.337 -0.916 1.00 0.00 O ATOM 703 CB TYR B 26 -7.930 -1.804 -4.209 1.00 0.00 C ATOM 704 CG TYR B 26 -7.032 -1.074 -5.201 1.00 0.00 C ATOM 705 CD1 TYR B 26 -5.640 -1.241 -5.206 1.00 0.00 C ATOM 706 CD2 TYR B 26 -7.578 -0.205 -6.126 1.00 0.00 C ATOM 707 CE1 TYR B 26 -4.843 -0.564 -6.102 1.00 0.00 C ATOM 708 CE2 TYR B 26 -6.784 0.479 -7.019 1.00 0.00 C ATOM 709 CZ TYR B 26 -5.425 0.302 -7.008 1.00 0.00 C ATOM 710 OH TYR B 26 -4.653 0.998 -7.905 1.00 0.00 O ATOM 0 H TYR B 26 -7.772 -4.656 -2.970 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.121 -2.335 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.633 -2.430 -4.759 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.519 -1.072 -3.656 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.184 -1.913 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.648 -0.059 -6.149 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.773 -0.709 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.233 1.157 -7.730 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.716 0.728 -7.809 1.00 0.00 H new ATOM 720 N THR B 27 -8.283 -1.402 -1.444 1.00 0.00 N ATOM 721 CA THR B 27 -8.726 -1.159 -0.077 1.00 0.00 C ATOM 722 C THR B 27 -9.966 -1.983 0.241 1.00 0.00 C ATOM 723 O THR B 27 -9.934 -2.875 1.090 1.00 0.00 O ATOM 724 CB THR B 27 -9.020 0.327 0.132 1.00 0.00 C ATOM 725 OG1 THR B 27 -9.577 0.898 -1.038 1.00 0.00 O ATOM 726 CG2 THR B 27 -7.793 1.134 0.500 1.00 0.00 C ATOM 0 H THR B 27 -8.553 -0.681 -2.114 1.00 0.00 H new ATOM 0 HA THR B 27 -7.925 -1.460 0.598 1.00 0.00 H new ATOM 0 HB THR B 27 -9.724 0.368 0.963 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.759 1.848 -0.883 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.072 2.179 0.634 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.370 0.750 1.428 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.053 1.055 -0.297 1.00 0.00 H new ATOM 734 N LYS B 28 -11.058 -1.683 -0.452 1.00 0.00 N ATOM 735 CA LYS B 28 -12.316 -2.396 -0.257 1.00 0.00 C ATOM 736 C LYS B 28 -12.724 -2.412 1.217 1.00 0.00 C ATOM 737 O LYS B 28 -12.216 -3.216 1.999 1.00 0.00 O ATOM 738 CB LYS B 28 -12.191 -3.829 -0.779 1.00 0.00 C ATOM 739 CG LYS B 28 -12.773 -4.024 -2.169 1.00 0.00 C ATOM 740 CD LYS B 28 -12.118 -5.191 -2.889 1.00 0.00 C ATOM 741 CE LYS B 28 -12.916 -5.610 -4.116 1.00 0.00 C ATOM 742 NZ LYS B 28 -13.815 -6.762 -3.827 1.00 0.00 N ATOM 0 H LYS B 28 -11.098 -0.947 -1.157 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.091 -1.872 -0.816 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.138 -4.111 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.693 -4.504 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.846 -4.198 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.638 -3.113 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.107 -4.914 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.028 -6.036 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.509 -4.766 -4.469 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.231 -5.877 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.341 -7.017 -4.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.247 -7.575 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.486 -6.499 -3.077 1.00 0.00 H new ATOM 756 N PRO B 29 -13.652 -1.524 1.618 1.00 0.00 N ATOM 757 CA PRO B 29 -14.122 -1.450 3.007 1.00 0.00 C ATOM 758 C PRO B 29 -14.959 -2.663 3.400 1.00 0.00 C ATOM 759 O PRO B 29 -15.413 -3.420 2.544 1.00 0.00 O ATOM 760 CB PRO B 29 -14.979 -0.182 3.026 1.00 0.00 C ATOM 761 CG PRO B 29 -15.434 -0.010 1.618 1.00 0.00 C ATOM 762 CD PRO B 29 -14.316 -0.529 0.756 1.00 0.00 C ATOM 0 HA PRO B 29 -13.295 -1.432 3.716 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.825 -0.286 3.705 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.403 0.680 3.364 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -16.356 -0.562 1.436 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.641 1.038 1.400 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.693 -0.980 -0.162 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.633 0.268 0.462 1.00 0.00 H new ATOM 770 N THR B 30 -15.160 -2.839 4.703 1.00 0.00 N ATOM 771 CA THR B 30 -15.943 -3.959 5.212 1.00 0.00 C ATOM 772 C THR B 30 -17.390 -3.544 5.461 1.00 0.00 C ATOM 773 O THR B 30 -17.642 -2.327 5.584 1.00 0.00 O ATOM 774 CB THR B 30 -15.326 -4.493 6.505 1.00 0.00 C ATOM 775 OG1 THR B 30 -15.118 -3.443 7.432 1.00 0.00 O ATOM 776 CG2 THR B 30 -13.998 -5.188 6.293 1.00 0.00 C ATOM 777 OXT THR B 30 -18.257 -4.440 5.531 1.00 0.00 O ATOM 0 H THR B 30 -14.791 -2.220 5.425 1.00 0.00 H new ATOM 0 HA THR B 30 -15.934 -4.747 4.459 1.00 0.00 H new ATOM 0 HB THR B 30 -16.042 -5.221 6.887 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.724 -3.805 8.253 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.616 -5.542 7.250 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.134 -6.035 5.620 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.287 -4.488 5.855 1.00 0.00 H new TER 785 THR B 30