USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.48 USER MOD Set 1.2: B 3 ASN : amide:sc= 0.517 X(o=1,f=0.71) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.488 K(o=2.3,f=1.1) USER MOD Set 2.2: A 9 SER OG : rot -38:sc= 1.78 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0445 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.00013) USER MOD Single : A 18 ASN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 143:sc= 0.0123 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.492 X(o=-0.49,f=-0.35) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 48:sc= 0.678 USER MOD Single : B 29 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 0.806 -3.130 -0.860 1.00 0.00 N ATOM 2 CA GLY A 1 0.814 -2.998 -2.336 1.00 0.00 C ATOM 3 C GLY A 1 0.937 -1.543 -2.767 1.00 0.00 C ATOM 4 O GLY A 1 1.483 -0.722 -2.031 1.00 0.00 O ATOM 0 H1 GLY A 1 1.546 -3.800 -0.567 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.989 -2.202 -0.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.122 -3.481 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.644 -3.572 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.103 -3.423 -2.745 1.00 0.00 H new ATOM 10 N ILE A 2 0.428 -1.209 -3.959 1.00 0.00 N ATOM 11 CA ILE A 2 0.471 0.157 -4.524 1.00 0.00 C ATOM 12 C ILE A 2 -0.451 1.142 -3.781 1.00 0.00 C ATOM 13 O ILE A 2 -0.083 2.297 -3.547 1.00 0.00 O ATOM 14 CB ILE A 2 0.168 0.099 -6.038 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.528 1.445 -6.700 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.276 -0.340 -6.351 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.213 1.513 -8.198 1.00 0.00 C ATOM 0 H ILE A 2 -0.032 -1.883 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 2 1.478 0.550 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 2 0.799 -0.678 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.011 2.243 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.591 1.635 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.424 -0.360 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.450 -1.335 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.976 0.365 -5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.496 2.492 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.773 0.739 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.855 1.357 -8.353 1.00 0.00 H new ATOM 29 N VAL A 3 -1.632 0.681 -3.358 1.00 0.00 N ATOM 30 CA VAL A 3 -2.546 1.450 -2.501 1.00 0.00 C ATOM 31 C VAL A 3 -1.941 1.606 -1.107 1.00 0.00 C ATOM 32 O VAL A 3 -1.350 0.678 -0.554 1.00 0.00 O ATOM 33 CB VAL A 3 -3.961 0.837 -2.494 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.869 1.351 -1.369 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.637 1.201 -3.820 1.00 0.00 C ATOM 0 H VAL A 3 -1.986 -0.244 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.669 2.453 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.834 -0.235 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.844 0.868 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.418 1.120 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.991 2.430 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.642 0.780 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.696 2.285 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.055 0.797 -4.648 1.00 0.00 H new ATOM 45 N GLU A 4 -2.052 2.823 -0.577 1.00 0.00 N ATOM 46 CA GLU A 4 -1.324 3.318 0.606 1.00 0.00 C ATOM 47 C GLU A 4 0.221 3.286 0.494 1.00 0.00 C ATOM 48 O GLU A 4 0.912 3.495 1.493 1.00 0.00 O ATOM 49 CB GLU A 4 -1.867 2.704 1.915 1.00 0.00 C ATOM 50 CG GLU A 4 -3.355 3.004 2.144 1.00 0.00 C ATOM 51 CD GLU A 4 -3.826 2.446 3.502 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.247 1.265 3.570 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.789 3.189 4.515 1.00 0.00 O1- ATOM 0 H GLU A 4 -2.676 3.526 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.539 4.386 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.719 1.624 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.291 3.088 2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.522 4.081 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.947 2.565 1.341 1.00 0.00 H new ATOM 60 N GLN A 5 0.780 3.123 -0.718 1.00 0.00 N ATOM 61 CA GLN A 5 2.137 3.591 -1.039 1.00 0.00 C ATOM 62 C GLN A 5 2.062 5.029 -1.573 1.00 0.00 C ATOM 63 O GLN A 5 2.401 5.982 -0.869 1.00 0.00 O ATOM 64 CB GLN A 5 2.870 2.634 -2.011 1.00 0.00 C ATOM 65 CG GLN A 5 4.363 2.974 -2.178 1.00 0.00 C ATOM 66 CD GLN A 5 5.181 2.709 -0.912 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.449 1.573 -0.541 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.607 3.724 -0.188 1.00 0.00 N ATOM 0 H GLN A 5 0.306 2.666 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 5 2.736 3.591 -0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.774 1.611 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.383 2.672 -2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.774 2.387 -2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.462 4.023 -2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.397 4.680 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.147 3.554 0.660 1.00 0.00 H new ATOM 77 N CYS A 6 1.585 5.210 -2.807 1.00 0.00 N ATOM 78 CA CYS A 6 1.794 6.465 -3.539 1.00 0.00 C ATOM 79 C CYS A 6 0.752 7.562 -3.235 1.00 0.00 C ATOM 80 O CYS A 6 0.949 8.729 -3.576 1.00 0.00 O ATOM 81 CB CYS A 6 1.980 6.175 -5.031 1.00 0.00 C ATOM 82 SG CYS A 6 2.980 7.433 -5.873 1.00 0.00 S ATOM 0 H CYS A 6 1.053 4.507 -3.320 1.00 0.00 H new ATOM 0 HA CYS A 6 2.719 6.908 -3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.454 5.201 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.002 6.115 -5.509 1.00 0.00 H new ATOM 87 N CYS A 7 -0.333 7.214 -2.531 1.00 0.00 N ATOM 88 CA CYS A 7 -1.330 8.180 -2.050 1.00 0.00 C ATOM 89 C CYS A 7 -0.839 8.982 -0.818 1.00 0.00 C ATOM 90 O CYS A 7 -1.435 9.998 -0.455 1.00 0.00 O ATOM 91 CB CYS A 7 -2.638 7.420 -1.768 1.00 0.00 C ATOM 92 SG CYS A 7 -4.128 8.453 -1.663 1.00 0.00 S ATOM 0 H CYS A 7 -0.545 6.249 -2.278 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.502 8.931 -2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.785 6.678 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.527 6.874 -0.831 1.00 0.00 H new ATOM 97 N THR A 8 0.250 8.533 -0.174 1.00 0.00 N ATOM 98 CA THR A 8 0.834 9.125 1.050 1.00 0.00 C ATOM 99 C THR A 8 2.344 9.423 0.942 1.00 0.00 C ATOM 100 O THR A 8 2.878 10.240 1.699 1.00 0.00 O ATOM 101 CB THR A 8 0.495 8.228 2.255 1.00 0.00 C ATOM 102 OG1 THR A 8 0.826 8.853 3.477 1.00 0.00 O ATOM 103 CG2 THR A 8 1.192 6.872 2.201 1.00 0.00 C ATOM 0 H THR A 8 0.770 7.718 -0.500 1.00 0.00 H new ATOM 0 HA THR A 8 0.382 10.106 1.193 1.00 0.00 H new ATOM 0 HB THR A 8 -0.582 8.067 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.597 8.258 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.914 6.285 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.888 6.343 1.298 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.272 7.018 2.190 1.00 0.00 H new ATOM 111 N SER A 9 3.038 8.813 -0.026 1.00 0.00 N ATOM 112 CA SER A 9 4.468 9.009 -0.318 1.00 0.00 C ATOM 113 C SER A 9 4.729 9.148 -1.825 1.00 0.00 C ATOM 114 O SER A 9 3.858 8.866 -2.647 1.00 0.00 O ATOM 115 CB SER A 9 5.288 7.854 0.280 1.00 0.00 C ATOM 116 OG SER A 9 5.010 6.619 -0.364 1.00 0.00 O ATOM 0 H SER A 9 2.602 8.140 -0.656 1.00 0.00 H new ATOM 0 HA SER A 9 4.783 9.944 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.351 8.079 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.069 7.766 1.344 1.00 0.00 H new ATOM 0 HG SER A 9 4.055 6.570 -0.580 1.00 0.00 H new ATOM 122 N ILE A 10 5.936 9.569 -2.213 1.00 0.00 N ATOM 123 CA ILE A 10 6.351 9.608 -3.624 1.00 0.00 C ATOM 124 C ILE A 10 6.725 8.200 -4.114 1.00 0.00 C ATOM 125 O ILE A 10 7.431 7.462 -3.421 1.00 0.00 O ATOM 126 CB ILE A 10 7.483 10.642 -3.826 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.907 12.051 -3.571 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.091 10.545 -5.233 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.849 13.229 -3.842 1.00 0.00 C ATOM 0 H ILE A 10 6.653 9.892 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 10 5.514 9.939 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 10 8.289 10.436 -3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.018 12.174 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.582 12.105 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.883 11.286 -5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.505 9.548 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.317 10.732 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.333 14.165 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.729 13.145 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.156 13.216 -4.888 1.00 0.00 H new ATOM 141 N CYS A 11 6.296 7.853 -5.331 1.00 0.00 N ATOM 142 CA CYS A 11 6.685 6.631 -6.040 1.00 0.00 C ATOM 143 C CYS A 11 7.405 6.926 -7.373 1.00 0.00 C ATOM 144 O CYS A 11 7.293 8.018 -7.941 1.00 0.00 O ATOM 145 CB CYS A 11 5.466 5.711 -6.217 1.00 0.00 C ATOM 146 SG CYS A 11 4.092 6.370 -7.202 1.00 0.00 S ATOM 0 H CYS A 11 5.649 8.432 -5.866 1.00 0.00 H new ATOM 0 HA CYS A 11 7.417 6.104 -5.428 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.803 4.783 -6.679 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.085 5.455 -5.228 1.00 0.00 H new ATOM 151 N SER A 12 8.143 5.925 -7.860 1.00 0.00 N ATOM 152 CA SER A 12 8.981 5.975 -9.070 1.00 0.00 C ATOM 153 C SER A 12 8.525 4.946 -10.108 1.00 0.00 C ATOM 154 O SER A 12 7.922 3.930 -9.755 1.00 0.00 O ATOM 155 CB SER A 12 10.448 5.692 -8.709 1.00 0.00 C ATOM 156 OG SER A 12 10.929 6.559 -7.694 1.00 0.00 O ATOM 0 H SER A 12 8.177 5.014 -7.403 1.00 0.00 H new ATOM 0 HA SER A 12 8.883 6.974 -9.495 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.545 4.658 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.067 5.800 -9.600 1.00 0.00 H new ATOM 0 HG SER A 12 11.864 6.343 -7.495 1.00 0.00 H new ATOM 162 N LEU A 13 8.903 5.132 -11.378 1.00 0.00 N ATOM 163 CA LEU A 13 8.701 4.139 -12.446 1.00 0.00 C ATOM 164 C LEU A 13 9.272 2.748 -12.103 1.00 0.00 C ATOM 165 O LEU A 13 8.636 1.731 -12.372 1.00 0.00 O ATOM 166 CB LEU A 13 9.237 4.675 -13.788 1.00 0.00 C ATOM 167 CG LEU A 13 10.761 4.812 -13.986 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.025 5.189 -15.444 1.00 0.00 C ATOM 169 CD2 LEU A 13 11.396 5.899 -13.116 1.00 0.00 C ATOM 0 H LEU A 13 9.363 5.984 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 13 7.626 3.988 -12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.861 4.023 -14.576 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.795 5.658 -13.949 1.00 0.00 H new ATOM 0 HG LEU A 13 11.202 3.856 -13.703 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.098 5.291 -15.605 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.632 4.410 -16.098 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.533 6.135 -15.670 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.468 5.938 -13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.949 6.864 -13.355 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.224 5.670 -12.064 1.00 0.00 H new ATOM 181 N TYR A 14 10.407 2.713 -11.394 1.00 0.00 N ATOM 182 CA TYR A 14 11.066 1.498 -10.889 1.00 0.00 C ATOM 183 C TYR A 14 10.214 0.684 -9.898 1.00 0.00 C ATOM 184 O TYR A 14 10.509 -0.480 -9.625 1.00 0.00 O ATOM 185 CB TYR A 14 12.372 1.908 -10.198 1.00 0.00 C ATOM 186 CG TYR A 14 13.262 2.832 -11.011 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.788 2.405 -12.245 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.541 4.128 -10.537 1.00 0.00 C ATOM 189 CE1 TYR A 14 14.595 3.272 -13.008 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.351 4.997 -11.294 1.00 0.00 C ATOM 191 CZ TYR A 14 14.881 4.572 -12.532 1.00 0.00 C ATOM 192 OH TYR A 14 15.661 5.419 -13.260 1.00 0.00 O ATOM 0 H TYR A 14 10.913 3.563 -11.146 1.00 0.00 H new ATOM 0 HA TYR A 14 11.237 0.851 -11.750 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.129 2.398 -9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.935 1.007 -9.953 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.572 1.411 -12.608 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.134 4.456 -9.592 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.995 2.944 -13.956 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.567 5.990 -10.927 1.00 0.00 H new ATOM 0 HH TYR A 14 15.753 6.270 -12.783 1.00 0.00 H new ATOM 202 N GLN A 15 9.167 1.295 -9.340 1.00 0.00 N ATOM 203 CA GLN A 15 8.131 0.632 -8.540 1.00 0.00 C ATOM 204 C GLN A 15 6.839 0.425 -9.345 1.00 0.00 C ATOM 205 O GLN A 15 6.348 -0.704 -9.412 1.00 0.00 O ATOM 206 CB GLN A 15 7.887 1.401 -7.228 1.00 0.00 C ATOM 207 CG GLN A 15 9.142 1.659 -6.376 1.00 0.00 C ATOM 208 CD GLN A 15 9.616 0.385 -5.684 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.410 0.176 -4.494 1.00 0.00 O ATOM 210 NE2 GLN A 15 10.222 -0.542 -6.393 1.00 0.00 N ATOM 0 H GLN A 15 9.010 2.298 -9.435 1.00 0.00 H new ATOM 0 HA GLN A 15 8.489 -0.363 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.427 2.360 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.168 0.844 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.939 2.049 -7.009 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.926 2.422 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.403 -0.388 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.511 -1.415 -5.951 1.00 0.00 H new ATOM 219 N LEU A 16 6.329 1.466 -10.016 1.00 0.00 N ATOM 220 CA LEU A 16 5.049 1.437 -10.738 1.00 0.00 C ATOM 221 C LEU A 16 4.984 0.407 -11.879 1.00 0.00 C ATOM 222 O LEU A 16 3.926 -0.176 -12.116 1.00 0.00 O ATOM 223 CB LEU A 16 4.731 2.834 -11.286 1.00 0.00 C ATOM 224 CG LEU A 16 4.386 3.923 -10.256 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.233 5.254 -10.989 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.076 3.628 -9.525 1.00 0.00 C ATOM 0 H LEU A 16 6.802 2.368 -10.074 1.00 0.00 H new ATOM 0 HA LEU A 16 4.303 1.124 -10.008 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.589 3.175 -11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.894 2.744 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 16 5.189 3.955 -9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.988 6.038 -10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.168 5.502 -11.492 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.434 5.174 -11.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.873 4.423 -8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.261 3.573 -10.247 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.159 2.677 -8.999 1.00 0.00 H new ATOM 238 N GLU A 17 6.099 0.134 -12.561 1.00 0.00 N ATOM 239 CA GLU A 17 6.149 -0.857 -13.647 1.00 0.00 C ATOM 240 C GLU A 17 5.916 -2.303 -13.161 1.00 0.00 C ATOM 241 O GLU A 17 5.448 -3.138 -13.936 1.00 0.00 O ATOM 242 CB GLU A 17 7.483 -0.754 -14.403 1.00 0.00 C ATOM 243 CG GLU A 17 7.541 0.474 -15.324 1.00 0.00 C ATOM 244 CD GLU A 17 8.865 0.505 -16.115 1.00 0.00 C ATOM 245 OE1 GLU A 17 9.000 -0.255 -17.106 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 9.783 1.282 -15.754 1.00 0.00 O ATOM 0 H GLU A 17 6.993 0.591 -12.379 1.00 0.00 H new ATOM 0 HA GLU A 17 5.327 -0.621 -14.323 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.302 -0.705 -13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.632 -1.657 -14.996 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.699 0.455 -16.016 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.445 1.384 -14.731 1.00 0.00 H new ATOM 253 N ASN A 18 6.172 -2.608 -11.882 1.00 0.00 N ATOM 254 CA ASN A 18 5.884 -3.927 -11.293 1.00 0.00 C ATOM 255 C ASN A 18 4.378 -4.111 -11.039 1.00 0.00 C ATOM 256 O ASN A 18 3.823 -5.183 -11.286 1.00 0.00 O ATOM 257 CB ASN A 18 6.672 -4.124 -9.985 1.00 0.00 C ATOM 258 CG ASN A 18 8.154 -3.826 -10.119 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.958 -4.650 -10.532 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.540 -2.619 -9.780 1.00 0.00 N ATOM 0 H ASN A 18 6.585 -1.948 -11.224 1.00 0.00 H new ATOM 0 HA ASN A 18 6.201 -4.683 -12.011 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.248 -3.480 -9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.546 -5.152 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.523 -2.357 -9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.858 -1.943 -9.437 1.00 0.00 H new ATOM 267 N TYR A 19 3.699 -3.044 -10.598 1.00 0.00 N ATOM 268 CA TYR A 19 2.257 -3.031 -10.324 1.00 0.00 C ATOM 269 C TYR A 19 1.387 -3.129 -11.594 1.00 0.00 C ATOM 270 O TYR A 19 0.180 -3.349 -11.500 1.00 0.00 O ATOM 271 CB TYR A 19 1.905 -1.772 -9.519 1.00 0.00 C ATOM 272 CG TYR A 19 2.678 -1.557 -8.225 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.796 -2.587 -7.269 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.204 -0.283 -7.934 1.00 0.00 C ATOM 275 CE1 TYR A 19 3.436 -2.343 -6.038 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.837 -0.030 -6.704 1.00 0.00 C ATOM 277 CZ TYR A 19 3.960 -1.062 -5.751 1.00 0.00 C ATOM 278 OH TYR A 19 4.560 -0.808 -4.557 1.00 0.00 O ATOM 0 H TYR A 19 4.148 -2.146 -10.418 1.00 0.00 H new ATOM 0 HA TYR A 19 2.031 -3.925 -9.743 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.061 -0.903 -10.158 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.842 -1.805 -9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.394 -3.567 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.120 0.509 -8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.527 -3.137 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.228 0.953 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 19 4.861 0.124 -4.534 1.00 0.00 H new ATOM 288 N CYS A 20 1.993 -3.024 -12.783 1.00 0.00 N ATOM 289 CA CYS A 20 1.355 -3.297 -14.074 1.00 0.00 C ATOM 290 C CYS A 20 0.895 -4.762 -14.228 1.00 0.00 C ATOM 291 O CYS A 20 -0.046 -5.040 -14.969 1.00 0.00 O ATOM 292 CB CYS A 20 2.359 -2.933 -15.169 1.00 0.00 C ATOM 293 SG CYS A 20 1.695 -2.930 -16.856 1.00 0.00 S ATOM 0 H CYS A 20 2.968 -2.739 -12.875 1.00 0.00 H new ATOM 0 HA CYS A 20 0.448 -2.697 -14.148 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.765 -1.944 -14.954 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.191 -3.636 -15.125 1.00 0.00 H new ATOM 298 N ASN A 21 1.531 -5.707 -13.523 1.00 0.00 N ATOM 299 CA ASN A 21 1.176 -7.129 -13.560 1.00 0.00 C ATOM 300 C ASN A 21 -0.245 -7.390 -13.015 1.00 0.00 C ATOM 301 O ASN A 21 -0.536 -7.149 -11.834 1.00 0.00 O ATOM 302 CB ASN A 21 2.261 -7.927 -12.812 1.00 0.00 C ATOM 303 CG ASN A 21 2.028 -9.426 -12.901 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.464 -10.050 -12.013 1.00 0.00 O ATOM 305 ND2 ASN A 21 2.421 -10.051 -13.988 1.00 0.00 N ATOM 0 H ASN A 21 2.315 -5.502 -12.904 1.00 0.00 H new ATOM 0 HA ASN A 21 1.145 -7.468 -14.595 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.239 -7.687 -13.228 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.277 -7.624 -11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.255 -11.052 -14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.892 -9.535 -14.731 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 8.823 9.628 -17.545 1.00 0.00 N ATOM 314 CA PHE B 1 8.185 9.752 -16.234 1.00 0.00 C ATOM 315 C PHE B 1 8.884 10.795 -15.341 1.00 0.00 C ATOM 316 O PHE B 1 10.103 10.976 -15.421 1.00 0.00 O ATOM 317 CB PHE B 1 8.170 8.375 -15.551 1.00 0.00 C ATOM 318 CG PHE B 1 7.367 8.310 -14.263 1.00 0.00 C ATOM 319 CD1 PHE B 1 5.967 8.161 -14.311 1.00 0.00 C ATOM 320 CD2 PHE B 1 8.015 8.405 -13.016 1.00 0.00 C ATOM 321 CE1 PHE B 1 5.221 8.118 -13.120 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.267 8.355 -11.828 1.00 0.00 C ATOM 323 CZ PHE B 1 5.870 8.221 -11.878 1.00 0.00 C ATOM 0 H1 PHE B 1 8.806 8.633 -17.847 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.308 10.208 -18.238 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.809 9.954 -17.484 1.00 0.00 H new ATOM 0 HA PHE B 1 7.164 10.104 -16.382 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.767 7.643 -16.251 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.197 8.080 -15.337 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.466 8.080 -15.264 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.088 8.516 -12.973 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.148 8.006 -13.160 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.768 8.420 -10.873 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.296 8.197 -10.964 1.00 0.00 H new ATOM 333 N VAL B 2 8.119 11.441 -14.454 1.00 0.00 N ATOM 334 CA VAL B 2 8.623 12.300 -13.365 1.00 0.00 C ATOM 335 C VAL B 2 7.903 11.978 -12.052 1.00 0.00 C ATOM 336 O VAL B 2 6.677 11.833 -12.024 1.00 0.00 O ATOM 337 CB VAL B 2 8.534 13.809 -13.692 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.513 14.196 -14.807 1.00 0.00 C ATOM 339 CG2 VAL B 2 7.133 14.288 -14.098 1.00 0.00 C ATOM 0 H VAL B 2 7.101 11.382 -14.471 1.00 0.00 H new ATOM 0 HA VAL B 2 9.684 12.076 -13.253 1.00 0.00 H new ATOM 0 HB VAL B 2 8.794 14.303 -12.756 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.426 15.263 -15.013 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.531 13.969 -14.492 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.278 13.631 -15.709 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.161 15.357 -14.310 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.809 13.750 -14.989 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.433 14.097 -13.284 1.00 0.00 H new ATOM 349 N ASN B 3 8.663 11.858 -10.961 1.00 0.00 N ATOM 350 CA ASN B 3 8.133 11.461 -9.655 1.00 0.00 C ATOM 351 C ASN B 3 7.118 12.458 -9.082 1.00 0.00 C ATOM 352 O ASN B 3 7.255 13.676 -9.221 1.00 0.00 O ATOM 353 CB ASN B 3 9.268 11.252 -8.646 1.00 0.00 C ATOM 354 CG ASN B 3 10.001 9.928 -8.810 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.047 9.319 -9.869 1.00 0.00 O ATOM 356 ND2 ASN B 3 10.601 9.439 -7.752 1.00 0.00 N ATOM 0 H ASN B 3 9.668 12.034 -10.959 1.00 0.00 H new ATOM 0 HA ASN B 3 7.606 10.522 -9.822 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.984 12.068 -8.745 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.859 11.308 -7.637 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.104 8.554 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.565 9.944 -6.866 1.00 0.00 H new ATOM 363 N GLN B 4 6.115 11.904 -8.400 1.00 0.00 N ATOM 364 CA GLN B 4 4.985 12.592 -7.791 1.00 0.00 C ATOM 365 C GLN B 4 4.198 11.602 -6.913 1.00 0.00 C ATOM 366 O GLN B 4 4.293 10.383 -7.075 1.00 0.00 O ATOM 367 CB GLN B 4 4.088 13.200 -8.894 1.00 0.00 C ATOM 368 CG GLN B 4 3.515 12.182 -9.896 1.00 0.00 C ATOM 369 CD GLN B 4 3.098 12.845 -11.205 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.993 13.353 -11.359 1.00 0.00 O ATOM 371 NE2 GLN B 4 3.964 12.883 -12.196 1.00 0.00 N ATOM 0 H GLN B 4 6.071 10.896 -8.251 1.00 0.00 H new ATOM 0 HA GLN B 4 5.340 13.406 -7.159 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.260 13.727 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.666 13.943 -9.443 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.261 11.414 -10.100 1.00 0.00 H new ATOM 0 HG3 GLN B 4 2.654 11.681 -9.453 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.887 12.465 -12.083 1.00 0.00 H new ATOM 0 HE22 GLN B 4 3.712 13.331 -13.077 1.00 0.00 H new ATOM 380 N HIS B 5 3.401 12.139 -5.996 1.00 0.00 N ATOM 381 CA HIS B 5 2.318 11.416 -5.309 1.00 0.00 C ATOM 382 C HIS B 5 1.170 11.109 -6.294 1.00 0.00 C ATOM 383 O HIS B 5 0.851 11.940 -7.148 1.00 0.00 O ATOM 384 CB HIS B 5 1.789 12.247 -4.130 1.00 0.00 C ATOM 385 CG HIS B 5 2.815 12.627 -3.083 1.00 0.00 C ATOM 386 ND1 HIS B 5 2.854 12.150 -1.769 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.802 13.558 -3.241 1.00 0.00 C ATOM 388 CE1 HIS B 5 3.868 12.799 -1.170 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.444 13.659 -2.027 1.00 0.00 N ATOM 0 H HIS B 5 3.485 13.111 -5.697 1.00 0.00 H new ATOM 0 HA HIS B 5 2.716 10.475 -4.928 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.343 13.160 -4.524 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.991 11.687 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.033 14.107 -4.142 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.176 12.650 -0.146 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.224 14.281 -1.814 1.00 0.00 H new ATOM 397 N LEU B 6 0.537 9.939 -6.176 1.00 0.00 N ATOM 398 CA LEU B 6 -0.516 9.441 -7.078 1.00 0.00 C ATOM 399 C LEU B 6 -1.592 8.667 -6.305 1.00 0.00 C ATOM 400 O LEU B 6 -1.273 7.838 -5.453 1.00 0.00 O ATOM 401 CB LEU B 6 0.104 8.516 -8.144 1.00 0.00 C ATOM 402 CG LEU B 6 0.966 9.218 -9.203 1.00 0.00 C ATOM 403 CD1 LEU B 6 1.826 8.193 -9.938 1.00 0.00 C ATOM 404 CD2 LEU B 6 0.107 9.971 -10.220 1.00 0.00 C ATOM 0 H LEU B 6 0.749 9.285 -5.423 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.983 10.302 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.715 7.767 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.700 7.982 -8.650 1.00 0.00 H new ATOM 0 HG LEU B 6 1.600 9.938 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.434 8.699 -10.688 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.476 7.685 -9.225 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.182 7.462 -10.427 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.752 10.455 -10.953 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.556 9.270 -10.726 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.488 10.726 -9.706 1.00 0.00 H new ATOM 416 N CYS B 7 -2.868 8.898 -6.621 1.00 0.00 N ATOM 417 CA CYS B 7 -3.994 8.239 -5.941 1.00 0.00 C ATOM 418 C CYS B 7 -5.238 8.101 -6.840 1.00 0.00 C ATOM 419 O CYS B 7 -5.377 8.819 -7.832 1.00 0.00 O ATOM 420 CB CYS B 7 -4.303 9.009 -4.649 1.00 0.00 C ATOM 421 SG CYS B 7 -5.145 8.028 -3.379 1.00 0.00 S ATOM 0 H CYS B 7 -3.154 9.546 -7.355 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.705 7.216 -5.698 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.370 9.392 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.921 9.873 -4.894 1.00 0.00 H new ATOM 426 N GLY B 8 -6.148 7.177 -6.507 1.00 0.00 N ATOM 427 CA GLY B 8 -7.405 6.959 -7.234 1.00 0.00 C ATOM 428 C GLY B 8 -7.197 6.630 -8.718 1.00 0.00 C ATOM 429 O GLY B 8 -6.295 5.872 -9.082 1.00 0.00 O ATOM 0 H GLY B 8 -6.030 6.549 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -7.954 6.144 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -8.025 7.852 -7.150 1.00 0.00 H new ATOM 433 N SER B 9 -8.006 7.233 -9.592 1.00 0.00 N ATOM 434 CA SER B 9 -7.906 7.064 -11.051 1.00 0.00 C ATOM 435 C SER B 9 -6.537 7.483 -11.606 1.00 0.00 C ATOM 436 O SER B 9 -6.018 6.823 -12.507 1.00 0.00 O ATOM 437 CB SER B 9 -8.998 7.878 -11.756 1.00 0.00 C ATOM 438 OG SER B 9 -10.285 7.565 -11.240 1.00 0.00 O ATOM 0 H SER B 9 -8.759 7.860 -9.308 1.00 0.00 H new ATOM 0 HA SER B 9 -8.035 6.000 -11.248 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.801 8.943 -11.629 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.973 7.675 -12.827 1.00 0.00 H new ATOM 0 HG SER B 9 -10.963 8.099 -11.705 1.00 0.00 H new ATOM 444 N HIS B 10 -5.904 8.517 -11.036 1.00 0.00 N ATOM 445 CA HIS B 10 -4.576 8.991 -11.458 1.00 0.00 C ATOM 446 C HIS B 10 -3.484 7.940 -11.238 1.00 0.00 C ATOM 447 O HIS B 10 -2.588 7.814 -12.068 1.00 0.00 O ATOM 448 CB HIS B 10 -4.223 10.292 -10.718 1.00 0.00 C ATOM 449 CG HIS B 10 -5.203 11.422 -10.939 1.00 0.00 C ATOM 450 ND1 HIS B 10 -5.737 12.238 -9.937 1.00 0.00 N ATOM 451 CD2 HIS B 10 -5.719 11.813 -12.142 1.00 0.00 C ATOM 452 CE1 HIS B 10 -6.561 13.100 -10.558 1.00 0.00 C ATOM 453 NE2 HIS B 10 -6.568 12.867 -11.882 1.00 0.00 N ATOM 0 H HIS B 10 -6.300 9.053 -10.264 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.623 9.182 -12.530 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.163 10.083 -9.650 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -3.233 10.619 -11.035 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -5.504 11.381 -13.108 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -7.135 13.870 -10.064 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -7.109 13.382 -12.576 1.00 0.00 H new ATOM 461 N LEU B 11 -3.580 7.144 -10.169 1.00 0.00 N ATOM 462 CA LEU B 11 -2.665 6.031 -9.886 1.00 0.00 C ATOM 463 C LEU B 11 -2.802 4.896 -10.916 1.00 0.00 C ATOM 464 O LEU B 11 -1.797 4.386 -11.414 1.00 0.00 O ATOM 465 CB LEU B 11 -2.958 5.553 -8.452 1.00 0.00 C ATOM 466 CG LEU B 11 -2.019 4.485 -7.872 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.586 5.004 -7.756 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.522 4.118 -6.474 1.00 0.00 C ATOM 0 H LEU B 11 -4.308 7.256 -9.463 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.630 6.364 -9.965 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.933 6.421 -7.793 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.975 5.162 -8.426 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.016 3.621 -8.537 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.052 4.223 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.220 5.286 -8.743 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.566 5.874 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.870 3.360 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.517 5.005 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.537 3.727 -6.544 1.00 0.00 H new ATOM 480 N VAL B 12 -4.041 4.543 -11.275 1.00 0.00 N ATOM 481 CA VAL B 12 -4.348 3.501 -12.274 1.00 0.00 C ATOM 482 C VAL B 12 -3.920 3.936 -13.680 1.00 0.00 C ATOM 483 O VAL B 12 -3.322 3.151 -14.414 1.00 0.00 O ATOM 484 CB VAL B 12 -5.845 3.124 -12.238 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.191 2.027 -13.254 1.00 0.00 C ATOM 486 CG2 VAL B 12 -6.250 2.603 -10.851 1.00 0.00 C ATOM 0 H VAL B 12 -4.874 4.976 -10.877 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.773 2.612 -12.015 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.387 4.037 -12.484 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.254 1.796 -13.192 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.954 2.374 -14.260 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.611 1.131 -13.033 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.309 2.345 -10.854 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.662 1.718 -10.609 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.067 3.376 -10.104 1.00 0.00 H new ATOM 496 N GLU B 13 -4.153 5.196 -14.051 1.00 0.00 N ATOM 497 CA GLU B 13 -3.684 5.762 -15.321 1.00 0.00 C ATOM 498 C GLU B 13 -2.153 5.857 -15.376 1.00 0.00 C ATOM 499 O GLU B 13 -1.555 5.456 -16.373 1.00 0.00 O ATOM 500 CB GLU B 13 -4.310 7.145 -15.558 1.00 0.00 C ATOM 501 CG GLU B 13 -5.799 7.061 -15.921 1.00 0.00 C ATOM 502 CD GLU B 13 -6.388 8.468 -16.146 1.00 0.00 C ATOM 503 OE1 GLU B 13 -6.847 9.108 -15.169 1.00 0.00 O ATOM 504 OE2 GLU B 13 -6.400 8.944 -17.308 1.00 0.00 O1- ATOM 0 H GLU B 13 -4.675 5.858 -13.477 1.00 0.00 H new ATOM 0 HA GLU B 13 -4.002 5.085 -16.114 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.192 7.753 -14.661 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.772 7.652 -16.359 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.925 6.461 -16.822 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.345 6.557 -15.123 1.00 0.00 H new ATOM 511 N ALA B 14 -1.492 6.323 -14.311 1.00 0.00 N ATOM 512 CA ALA B 14 -0.039 6.494 -14.296 1.00 0.00 C ATOM 513 C ALA B 14 0.724 5.165 -14.430 1.00 0.00 C ATOM 514 O ALA B 14 1.721 5.115 -15.152 1.00 0.00 O ATOM 515 CB ALA B 14 0.358 7.231 -13.016 1.00 0.00 C ATOM 0 H ALA B 14 -1.949 6.591 -13.439 1.00 0.00 H new ATOM 0 HA ALA B 14 0.241 7.083 -15.169 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.440 7.364 -12.994 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -0.128 8.206 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.046 6.648 -12.149 1.00 0.00 H new ATOM 521 N LEU B 15 0.250 4.079 -13.801 1.00 0.00 N ATOM 522 CA LEU B 15 0.913 2.772 -13.915 1.00 0.00 C ATOM 523 C LEU B 15 0.689 2.139 -15.297 1.00 0.00 C ATOM 524 O LEU B 15 1.599 1.522 -15.846 1.00 0.00 O ATOM 525 CB LEU B 15 0.563 1.853 -12.728 1.00 0.00 C ATOM 526 CG LEU B 15 -0.855 1.245 -12.696 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.979 -0.050 -13.504 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.243 0.895 -11.260 1.00 0.00 C ATOM 0 H LEU B 15 -0.583 4.079 -13.213 1.00 0.00 H new ATOM 0 HA LEU B 15 1.990 2.928 -13.847 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.282 1.033 -12.713 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.707 2.420 -11.809 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.506 2.003 -13.132 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.001 -0.423 -13.439 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.731 0.147 -14.547 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.294 -0.796 -13.102 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.245 0.467 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.534 0.171 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.227 1.797 -10.649 1.00 0.00 H new ATOM 540 N TYR B 16 -0.484 2.359 -15.899 1.00 0.00 N ATOM 541 CA TYR B 16 -0.783 1.968 -17.280 1.00 0.00 C ATOM 542 C TYR B 16 0.112 2.725 -18.277 1.00 0.00 C ATOM 543 O TYR B 16 0.701 2.117 -19.172 1.00 0.00 O ATOM 544 CB TYR B 16 -2.285 2.205 -17.529 1.00 0.00 C ATOM 545 CG TYR B 16 -2.663 2.578 -18.948 1.00 0.00 C ATOM 546 CD1 TYR B 16 -2.685 1.604 -19.962 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.966 3.919 -19.251 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.026 1.964 -21.280 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.307 4.287 -20.568 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.341 3.307 -21.586 1.00 0.00 C ATOM 551 OH TYR B 16 -3.669 3.649 -22.863 1.00 0.00 O ATOM 0 H TYR B 16 -1.265 2.821 -15.433 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.564 0.911 -17.433 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.828 1.301 -17.253 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.625 2.997 -16.862 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.440 0.578 -19.730 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.937 4.667 -18.473 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.047 1.214 -22.057 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.542 5.316 -20.799 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.859 4.609 -22.906 1.00 0.00 H new ATOM 561 N LEU B 17 0.280 4.037 -18.081 1.00 0.00 N ATOM 562 CA LEU B 17 1.075 4.905 -18.955 1.00 0.00 C ATOM 563 C LEU B 17 2.580 4.617 -18.867 1.00 0.00 C ATOM 564 O LEU B 17 3.249 4.550 -19.899 1.00 0.00 O ATOM 565 CB LEU B 17 0.801 6.375 -18.594 1.00 0.00 C ATOM 566 CG LEU B 17 -0.542 6.936 -19.099 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.793 8.310 -18.476 1.00 0.00 C ATOM 568 CD2 LEU B 17 -0.572 7.092 -20.622 1.00 0.00 C ATOM 0 H LEU B 17 -0.141 4.534 -17.296 1.00 0.00 H new ATOM 0 HA LEU B 17 0.774 4.701 -19.983 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.835 6.478 -17.509 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.607 6.988 -18.998 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.313 6.223 -18.808 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.744 8.704 -18.835 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.826 8.217 -17.390 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.011 8.990 -18.758 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.539 7.491 -20.928 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.217 7.776 -20.933 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.415 6.120 -21.090 1.00 0.00 H new ATOM 580 N VAL B 18 3.118 4.420 -17.657 1.00 0.00 N ATOM 581 CA VAL B 18 4.556 4.167 -17.449 1.00 0.00 C ATOM 582 C VAL B 18 4.963 2.751 -17.878 1.00 0.00 C ATOM 583 O VAL B 18 6.086 2.534 -18.338 1.00 0.00 O ATOM 584 CB VAL B 18 4.940 4.485 -15.993 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.563 3.392 -14.994 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.433 4.736 -15.840 1.00 0.00 C ATOM 0 H VAL B 18 2.574 4.431 -16.794 1.00 0.00 H new ATOM 0 HA VAL B 18 5.122 4.837 -18.096 1.00 0.00 H new ATOM 0 HB VAL B 18 4.365 5.383 -15.766 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.868 3.694 -13.992 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.484 3.237 -15.014 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.068 2.464 -15.262 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.660 4.957 -14.797 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.985 3.849 -16.152 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.725 5.582 -16.462 1.00 0.00 H new ATOM 596 N CYS B 19 4.029 1.799 -17.796 1.00 0.00 N ATOM 597 CA CYS B 19 4.184 0.440 -18.325 1.00 0.00 C ATOM 598 C CYS B 19 4.018 0.374 -19.855 1.00 0.00 C ATOM 599 O CYS B 19 4.679 -0.423 -20.526 1.00 0.00 O ATOM 600 CB CYS B 19 3.142 -0.438 -17.631 1.00 0.00 C ATOM 601 SG CYS B 19 3.247 -2.213 -17.956 1.00 0.00 S ATOM 0 H CYS B 19 3.125 1.955 -17.351 1.00 0.00 H new ATOM 0 HA CYS B 19 5.196 0.090 -18.123 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.224 -0.282 -16.555 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.152 -0.094 -17.928 1.00 0.00 H new ATOM 606 N GLY B 20 3.135 1.211 -20.413 1.00 0.00 N ATOM 607 CA GLY B 20 2.753 1.204 -21.829 1.00 0.00 C ATOM 608 C GLY B 20 1.775 0.079 -22.210 1.00 0.00 C ATOM 609 O GLY B 20 1.612 -0.220 -23.394 1.00 0.00 O ATOM 0 H GLY B 20 2.653 1.932 -19.876 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.300 2.164 -22.077 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.653 1.110 -22.437 1.00 0.00 H new ATOM 613 N GLU B 21 1.148 -0.569 -21.223 1.00 0.00 N ATOM 614 CA GLU B 21 0.242 -1.714 -21.388 1.00 0.00 C ATOM 615 C GLU B 21 -0.816 -1.747 -20.268 1.00 0.00 C ATOM 616 O GLU B 21 -0.549 -1.337 -19.135 1.00 0.00 O ATOM 617 CB GLU B 21 1.075 -3.013 -21.415 1.00 0.00 C ATOM 618 CG GLU B 21 0.266 -4.241 -21.853 1.00 0.00 C ATOM 619 CD GLU B 21 1.175 -5.476 -22.014 1.00 0.00 C ATOM 620 OE1 GLU B 21 1.729 -5.689 -23.120 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 1.328 -6.252 -21.039 1.00 0.00 O ATOM 0 H GLU B 21 1.262 -0.300 -20.246 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.297 -1.618 -22.331 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.919 -2.882 -22.092 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.488 -3.193 -20.422 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.510 -4.450 -21.117 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.238 -4.031 -22.796 1.00 0.00 H new ATOM 628 N ARG B 22 -2.025 -2.242 -20.575 1.00 0.00 N ATOM 629 CA ARG B 22 -3.161 -2.314 -19.629 1.00 0.00 C ATOM 630 C ARG B 22 -3.074 -3.457 -18.607 1.00 0.00 C ATOM 631 O ARG B 22 -3.697 -3.374 -17.552 1.00 0.00 O ATOM 632 CB ARG B 22 -4.482 -2.291 -20.419 1.00 0.00 C ATOM 633 CG ARG B 22 -4.789 -3.580 -21.202 1.00 0.00 C ATOM 634 CD ARG B 22 -5.736 -3.333 -22.386 1.00 0.00 C ATOM 635 NE ARG B 22 -7.004 -2.692 -21.978 1.00 0.00 N ATOM 636 CZ ARG B 22 -8.238 -3.082 -22.235 1.00 0.00 C ATOM 637 NH1 ARG B 22 -8.519 -4.149 -22.930 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 -9.227 -2.370 -21.790 1.00 0.00 N ATOM 0 H ARG B 22 -2.249 -2.610 -21.499 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.117 -1.428 -18.995 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.301 -2.101 -19.725 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -4.456 -1.455 -21.118 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.857 -4.010 -21.569 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -5.235 -4.313 -20.530 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.235 -2.703 -23.121 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -5.954 -4.282 -22.875 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.913 -1.838 -21.427 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.766 -4.727 -23.304 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -9.491 -4.406 -23.100 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -9.044 -1.524 -21.251 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.187 -2.657 -21.979 1.00 0.00 H new ATOM 652 N GLY B 23 -2.287 -4.498 -18.892 1.00 0.00 N ATOM 653 CA GLY B 23 -1.784 -5.481 -17.914 1.00 0.00 C ATOM 654 C GLY B 23 -2.819 -6.304 -17.132 1.00 0.00 C ATOM 655 O GLY B 23 -2.503 -6.852 -16.073 1.00 0.00 O ATOM 0 H GLY B 23 -1.968 -4.691 -19.842 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.132 -6.177 -18.443 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.164 -4.949 -17.192 1.00 0.00 H new HETATM 659 N DHI B 24 -4.052 -6.393 -17.637 1.00 0.00 N HETATM 660 CA DHI B 24 -5.187 -7.080 -16.999 1.00 0.00 C HETATM 661 C DHI B 24 -6.250 -6.134 -16.407 1.00 0.00 C HETATM 662 O DHI B 24 -7.274 -6.600 -15.904 1.00 0.00 O HETATM 663 CB DHI B 24 -5.783 -8.092 -17.989 1.00 0.00 C HETATM 664 CG DHI B 24 -6.281 -7.483 -19.279 1.00 0.00 C HETATM 665 ND1 DHI B 24 -5.681 -7.640 -20.532 1.00 0.00 N HETATM 666 CD2 DHI B 24 -7.388 -6.698 -19.418 1.00 0.00 C HETATM 667 CE1 DHI B 24 -6.449 -6.958 -21.398 1.00 0.00 C HETATM 668 NE2 DHI B 24 -7.478 -6.378 -20.754 1.00 0.00 N HETATM 0 HE2 DHI B 24 -8.201 -5.800 -21.182 1.00 0.00 H new HETATM 0 HE1 DHI B 24 -6.265 -6.885 -22.470 1.00 0.00 H new HETATM 0 HD2 DHI B 24 -8.068 -6.385 -18.626 1.00 0.00 H new HETATM 0 HD1 DHI B 24 -4.833 -8.165 -20.745 1.00 0.00 H new HETATM 0 HB3 DHI B 24 -5.027 -8.841 -18.223 1.00 0.00 H new HETATM 0 HB2 DHI B 24 -6.609 -8.613 -17.505 1.00 0.00 H new HETATM 0 HA DHI B 24 -4.802 -7.610 -16.128 1.00 0.00 H new ATOM 676 N PHE B 25 -6.028 -4.817 -16.459 1.00 0.00 N ATOM 677 CA PHE B 25 -6.913 -3.791 -15.892 1.00 0.00 C ATOM 678 C PHE B 25 -7.786 -3.100 -16.955 1.00 0.00 C ATOM 679 O PHE B 25 -7.462 -3.089 -18.147 1.00 0.00 O ATOM 680 CB PHE B 25 -6.074 -2.768 -15.109 1.00 0.00 C ATOM 681 CG PHE B 25 -5.077 -3.364 -14.127 1.00 0.00 C ATOM 682 CD1 PHE B 25 -5.501 -4.277 -13.139 1.00 0.00 C ATOM 683 CD2 PHE B 25 -3.714 -3.016 -14.210 1.00 0.00 C ATOM 684 CE1 PHE B 25 -4.571 -4.832 -12.241 1.00 0.00 C ATOM 685 CE2 PHE B 25 -2.787 -3.569 -13.309 1.00 0.00 C ATOM 686 CZ PHE B 25 -3.213 -4.477 -12.326 1.00 0.00 C ATOM 0 H PHE B 25 -5.203 -4.422 -16.910 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.607 -4.288 -15.214 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.531 -2.146 -15.821 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.750 -2.110 -14.562 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.543 -4.551 -13.072 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -3.380 -2.323 -14.968 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.900 -5.531 -11.486 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.744 -3.295 -13.373 1.00 0.00 H new ATOM 0 HZ PHE B 25 -2.499 -4.902 -11.636 1.00 0.00 H new ATOM 696 N TYR B 26 -8.887 -2.488 -16.514 1.00 0.00 N ATOM 697 CA TYR B 26 -9.764 -1.670 -17.361 1.00 0.00 C ATOM 698 C TYR B 26 -9.146 -0.293 -17.656 1.00 0.00 C ATOM 699 O TYR B 26 -8.465 0.292 -16.809 1.00 0.00 O ATOM 700 CB TYR B 26 -11.149 -1.536 -16.710 1.00 0.00 C ATOM 701 CG TYR B 26 -11.845 -2.861 -16.453 1.00 0.00 C ATOM 702 CD1 TYR B 26 -12.379 -3.593 -17.533 1.00 0.00 C ATOM 703 CD2 TYR B 26 -11.946 -3.370 -15.143 1.00 0.00 C ATOM 704 CE1 TYR B 26 -13.008 -4.832 -17.304 1.00 0.00 C ATOM 705 CE2 TYR B 26 -12.575 -4.609 -14.911 1.00 0.00 C ATOM 706 CZ TYR B 26 -13.108 -5.345 -15.992 1.00 0.00 C ATOM 707 OH TYR B 26 -13.719 -6.543 -15.781 1.00 0.00 O ATOM 0 H TYR B 26 -9.201 -2.546 -15.545 1.00 0.00 H new ATOM 0 HA TYR B 26 -9.880 -2.175 -18.320 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -11.044 -1.004 -15.765 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -11.782 -0.924 -17.352 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -12.306 -3.203 -18.537 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -11.540 -2.809 -14.314 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -13.415 -5.391 -18.134 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -12.650 -4.996 -13.906 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.704 -6.754 -14.824 1.00 0.00 H new ATOM 717 N THR B 27 -9.398 0.234 -18.857 1.00 0.00 N ATOM 718 CA THR B 27 -8.797 1.473 -19.384 1.00 0.00 C ATOM 719 C THR B 27 -9.844 2.299 -20.155 1.00 0.00 C ATOM 720 O THR B 27 -10.129 1.991 -21.318 1.00 0.00 O ATOM 721 CB THR B 27 -7.582 1.159 -20.281 1.00 0.00 C ATOM 722 OG1 THR B 27 -7.862 0.121 -21.204 1.00 0.00 O ATOM 723 CG2 THR B 27 -6.365 0.714 -19.473 1.00 0.00 C ATOM 0 H THR B 27 -10.046 -0.200 -19.514 1.00 0.00 H new ATOM 0 HA THR B 27 -8.447 2.065 -18.538 1.00 0.00 H new ATOM 0 HB THR B 27 -7.368 2.092 -20.803 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.718 0.298 -21.646 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.536 0.505 -20.149 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.078 1.506 -18.781 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.611 -0.187 -18.911 1.00 0.00 H new ATOM 731 N PRO B 28 -10.451 3.332 -19.535 1.00 0.00 N ATOM 732 CA PRO B 28 -11.444 4.195 -20.182 1.00 0.00 C ATOM 733 C PRO B 28 -10.911 4.950 -21.413 1.00 0.00 C ATOM 734 O PRO B 28 -9.723 5.279 -21.493 1.00 0.00 O ATOM 735 CB PRO B 28 -11.926 5.165 -19.096 1.00 0.00 C ATOM 736 CG PRO B 28 -11.682 4.391 -17.801 1.00 0.00 C ATOM 737 CD PRO B 28 -10.393 3.634 -18.110 1.00 0.00 C ATOM 0 HA PRO B 28 -12.254 3.585 -20.581 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -11.368 6.101 -19.116 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -12.979 5.418 -19.221 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.567 5.056 -16.945 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -12.505 3.715 -17.571 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.517 4.237 -17.872 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.322 2.722 -17.518 1.00 0.00 H new ATOM 745 N LYS B 29 -11.809 5.257 -22.359 1.00 0.00 N ATOM 746 CA LYS B 29 -11.544 5.992 -23.610 1.00 0.00 C ATOM 747 C LYS B 29 -12.642 7.027 -23.894 1.00 0.00 C ATOM 748 O LYS B 29 -13.787 6.864 -23.460 1.00 0.00 O ATOM 749 CB LYS B 29 -11.413 5.011 -24.794 1.00 0.00 C ATOM 750 CG LYS B 29 -10.188 4.086 -24.687 1.00 0.00 C ATOM 751 CD LYS B 29 -10.044 3.131 -25.882 1.00 0.00 C ATOM 752 CE LYS B 29 -9.739 3.872 -27.192 1.00 0.00 C ATOM 753 NZ LYS B 29 -9.543 2.926 -28.322 1.00 0.00 N1+ ATOM 0 H LYS B 29 -12.789 4.988 -22.271 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.602 6.527 -23.489 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.315 4.402 -24.853 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.350 5.579 -25.722 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.287 4.695 -24.606 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.261 3.501 -23.770 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.247 2.416 -25.678 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.964 2.558 -25.998 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.558 4.553 -27.425 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.844 4.481 -27.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.339 3.460 -29.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.746 2.292 -28.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.407 2.363 -28.457 1.00 0.00 H new ATOM 767 N THR B 30 -12.283 8.077 -24.636 1.00 0.00 N ATOM 768 CA THR B 30 -13.168 9.182 -25.072 1.00 0.00 C ATOM 769 C THR B 30 -14.251 8.705 -26.047 1.00 0.00 C ATOM 770 O THR B 30 -15.443 9.002 -25.805 1.00 0.00 O ATOM 771 CB THR B 30 -12.346 10.307 -25.716 1.00 0.00 C ATOM 772 OG1 THR B 30 -11.262 10.647 -24.874 1.00 0.00 O ATOM 773 CG2 THR B 30 -13.163 11.578 -25.961 1.00 0.00 C ATOM 774 OXT THR B 30 -13.914 8.033 -27.049 1.00 0.00 O1- ATOM 0 H THR B 30 -11.326 8.194 -24.969 1.00 0.00 H new ATOM 0 HA THR B 30 -13.668 9.562 -24.181 1.00 0.00 H new ATOM 0 HB THR B 30 -12.005 9.926 -26.679 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.738 11.364 -25.289 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.527 12.337 -26.418 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.995 11.353 -26.628 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.549 11.951 -25.012 1.00 0.00 H new TER 782 THR B 30