USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Set 1.1: B 27 THR OG1 : rot -66:sc= -2.88! USER MOD Set 1.2: B 30 THR OG1 : rot 110:sc= -1.21! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.31) USER MOD Single : A 8 THR OG1 : rot -139:sc= -2.22! USER MOD Single : A 9 SER OG : rot 180:sc= -0.368 USER MOD Single : A 12 SER OG : rot 180:sc= -0.535 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.46) USER MOD Single : A 18 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.012) USER MOD Single : A 19 TYR OH : rot -8:sc= -5.51! USER MOD Single : A 21 ASN : amide:sc= -7.81! C(o=-7.8!,f=-19!) USER MOD Single : B 1 PHE N :NH3+ 150:sc= 0.962 (180deg=-0.164) USER MOD Single : B 3 ASN : amide:sc= -1.34 K(o=-1.3,f=0.29) USER MOD Single : B 4 GLN : amide:sc= -0.0905 K(o=-0.091,f=-1.9!) USER MOD Single : B 5 HIS : no HD1:sc= -3.35 K(o=-3.3,f=-0.85) USER MOD Single : B 9 SER OG : rot 180:sc= 0.107 USER MOD Single : B 10 HIS : no HD1:sc= -2.18! K(o=-2.2!,f=0.35) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 18:sc= -3.45! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.360 5.099 3.141 1.00 0.00 N ATOM 2 CA GLY A 1 -8.244 4.096 3.438 1.00 0.00 C ATOM 3 C GLY A 1 -6.826 4.501 3.229 1.00 0.00 C ATOM 4 O GLY A 1 -6.313 5.375 3.899 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.282 4.661 3.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.241 5.939 3.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.317 5.380 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.347 3.790 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.426 3.213 2.826 1.00 0.00 H new ATOM 10 N ILE A 2 -6.154 3.881 2.296 1.00 0.00 N ATOM 11 CA ILE A 2 -4.733 4.242 2.040 1.00 0.00 C ATOM 12 C ILE A 2 -4.641 5.065 0.754 1.00 0.00 C ATOM 13 O ILE A 2 -3.653 5.723 0.496 1.00 0.00 O ATOM 14 CB ILE A 2 -3.903 2.966 1.892 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.429 3.335 1.712 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.384 2.182 0.670 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.829 3.722 3.065 1.00 0.00 C ATOM 0 H ILE A 2 -6.529 3.141 1.702 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.349 4.829 2.874 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.019 2.353 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.882 2.493 1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.334 4.163 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.792 1.273 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.434 1.919 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.269 2.795 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.779 3.985 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.369 4.577 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.910 2.881 3.753 1.00 0.00 H new ATOM 29 N VAL A 3 -5.664 5.036 -0.054 1.00 0.00 N ATOM 30 CA VAL A 3 -5.637 5.816 -1.318 1.00 0.00 C ATOM 31 C VAL A 3 -5.200 7.252 -1.024 1.00 0.00 C ATOM 32 O VAL A 3 -4.413 7.831 -1.745 1.00 0.00 O ATOM 33 CB VAL A 3 -7.036 5.821 -1.930 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.969 6.400 -3.339 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.570 4.388 -1.994 1.00 0.00 C ATOM 0 H VAL A 3 -6.519 4.504 0.109 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.933 5.363 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.700 6.429 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.967 6.405 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.587 7.420 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.306 5.790 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.569 4.391 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.907 3.780 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.615 3.971 -0.988 1.00 0.00 H new ATOM 45 N GLU A 4 -5.704 7.831 0.033 1.00 0.00 N ATOM 46 CA GLU A 4 -5.315 9.229 0.369 1.00 0.00 C ATOM 47 C GLU A 4 -3.929 9.230 1.021 1.00 0.00 C ATOM 48 O GLU A 4 -3.330 10.267 1.224 1.00 0.00 O ATOM 49 CB GLU A 4 -6.336 9.824 1.341 1.00 0.00 C ATOM 50 CG GLU A 4 -7.184 10.870 0.614 1.00 0.00 C ATOM 51 CD GLU A 4 -6.820 12.267 1.123 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.923 12.867 0.557 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.446 12.711 2.071 1.00 0.00 O ATOM 0 H GLU A 4 -6.366 7.397 0.676 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.289 9.828 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.975 9.037 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.824 10.280 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.015 10.808 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.243 10.675 0.782 1.00 0.00 H new ATOM 60 N GLN A 5 -3.418 8.075 1.350 1.00 0.00 N ATOM 61 CA GLN A 5 -2.074 8.009 1.990 1.00 0.00 C ATOM 62 C GLN A 5 -1.045 7.520 0.967 1.00 0.00 C ATOM 63 O GLN A 5 0.125 7.838 1.048 1.00 0.00 O ATOM 64 CB GLN A 5 -2.121 7.037 3.171 1.00 0.00 C ATOM 65 CG GLN A 5 -0.703 6.792 3.691 1.00 0.00 C ATOM 66 CD GLN A 5 -0.772 6.159 5.082 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.313 6.741 6.002 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.244 4.981 5.277 1.00 0.00 N ATOM 0 H GLN A 5 -3.873 7.174 1.203 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.790 9.000 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.745 7.445 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.574 6.095 2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.162 6.137 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.153 7.732 3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.210 4.492 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.286 4.550 6.201 1.00 0.00 H new ATOM 77 N CYS A 6 -1.471 6.748 0.006 1.00 0.00 N ATOM 78 CA CYS A 6 -0.516 6.239 -1.020 1.00 0.00 C ATOM 79 C CYS A 6 -0.647 7.070 -2.297 1.00 0.00 C ATOM 80 O CYS A 6 0.282 7.182 -3.073 1.00 0.00 O ATOM 81 CB CYS A 6 -0.832 4.774 -1.331 1.00 0.00 C ATOM 82 SG CYS A 6 -0.078 3.715 -0.072 1.00 0.00 S ATOM 0 H CYS A 6 -2.438 6.447 -0.114 1.00 0.00 H new ATOM 0 HA CYS A 6 0.502 6.318 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.911 4.620 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.453 4.510 -2.318 1.00 0.00 H new ATOM 87 N CYS A 7 -1.791 7.657 -2.522 1.00 0.00 N ATOM 88 CA CYS A 7 -1.977 8.481 -3.749 1.00 0.00 C ATOM 89 C CYS A 7 -1.705 9.950 -3.422 1.00 0.00 C ATOM 90 O CYS A 7 -1.230 10.702 -4.249 1.00 0.00 O ATOM 91 CB CYS A 7 -3.413 8.330 -4.254 1.00 0.00 C ATOM 92 SG CYS A 7 -3.554 9.066 -5.902 1.00 0.00 S ATOM 0 H CYS A 7 -2.604 7.601 -1.909 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.284 8.145 -4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.688 7.276 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.105 8.817 -3.566 1.00 0.00 H new ATOM 97 N THR A 8 -2.005 10.364 -2.222 1.00 0.00 N ATOM 98 CA THR A 8 -1.764 11.785 -1.844 1.00 0.00 C ATOM 99 C THR A 8 -0.482 11.883 -1.017 1.00 0.00 C ATOM 100 O THR A 8 0.390 12.681 -1.300 1.00 0.00 O ATOM 101 CB THR A 8 -2.945 12.298 -1.014 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.020 11.376 -1.108 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.390 13.661 -1.547 1.00 0.00 C ATOM 0 H THR A 8 -2.406 9.781 -1.488 1.00 0.00 H new ATOM 0 HA THR A 8 -1.662 12.388 -2.746 1.00 0.00 H new ATOM 0 HB THR A 8 -2.643 12.400 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.864 11.866 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.230 14.026 -0.956 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.563 14.367 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.695 13.562 -2.589 1.00 0.00 H new ATOM 111 N SER A 9 -0.358 11.078 0.001 1.00 0.00 N ATOM 112 CA SER A 9 0.869 11.128 0.843 1.00 0.00 C ATOM 113 C SER A 9 1.929 10.196 0.254 1.00 0.00 C ATOM 114 O SER A 9 1.926 9.903 -0.925 1.00 0.00 O ATOM 115 CB SER A 9 0.530 10.686 2.266 1.00 0.00 C ATOM 116 OG SER A 9 -0.783 11.125 2.592 1.00 0.00 O ATOM 0 H SER A 9 -1.053 10.388 0.286 1.00 0.00 H new ATOM 0 HA SER A 9 1.255 12.147 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.594 9.601 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.251 11.102 2.970 1.00 0.00 H new ATOM 0 HG SER A 9 -1.006 10.842 3.504 1.00 0.00 H new ATOM 122 N ILE A 10 2.836 9.729 1.065 1.00 0.00 N ATOM 123 CA ILE A 10 3.897 8.818 0.555 1.00 0.00 C ATOM 124 C ILE A 10 3.486 7.364 0.794 1.00 0.00 C ATOM 125 O ILE A 10 3.029 7.005 1.861 1.00 0.00 O ATOM 126 CB ILE A 10 5.207 9.109 1.288 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.725 10.490 0.879 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.244 8.048 0.915 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.897 11.573 1.572 1.00 0.00 C ATOM 0 H ILE A 10 2.888 9.940 2.062 1.00 0.00 H new ATOM 0 HA ILE A 10 4.033 8.980 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 10 5.034 9.089 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.776 10.591 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.663 10.607 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.179 8.254 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.877 7.063 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.416 8.070 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.267 12.556 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.852 11.476 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.981 11.460 2.653 1.00 0.00 H new ATOM 141 N CYS A 11 3.644 6.525 -0.194 1.00 0.00 N ATOM 142 CA CYS A 11 3.262 5.095 -0.028 1.00 0.00 C ATOM 143 C CYS A 11 4.521 4.255 0.193 1.00 0.00 C ATOM 144 O CYS A 11 5.140 3.789 -0.742 1.00 0.00 O ATOM 145 CB CYS A 11 2.543 4.610 -1.287 1.00 0.00 C ATOM 146 SG CYS A 11 1.643 3.084 -0.920 1.00 0.00 S ATOM 0 H CYS A 11 4.022 6.769 -1.109 1.00 0.00 H new ATOM 0 HA CYS A 11 2.599 4.993 0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.853 5.375 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.264 4.436 -2.086 1.00 0.00 H new ATOM 151 N SER A 12 4.903 4.054 1.424 1.00 0.00 N ATOM 152 CA SER A 12 6.122 3.242 1.700 1.00 0.00 C ATOM 153 C SER A 12 5.770 1.755 1.621 1.00 0.00 C ATOM 154 O SER A 12 4.796 1.307 2.193 1.00 0.00 O ATOM 155 CB SER A 12 6.646 3.566 3.100 1.00 0.00 C ATOM 156 OG SER A 12 5.672 3.190 4.064 1.00 0.00 O ATOM 0 H SER A 12 4.425 4.416 2.249 1.00 0.00 H new ATOM 0 HA SER A 12 6.889 3.476 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.580 3.035 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.864 4.631 3.182 1.00 0.00 H new ATOM 0 HG SER A 12 6.005 3.395 4.963 1.00 0.00 H new ATOM 162 N LEU A 13 6.556 0.986 0.918 1.00 0.00 N ATOM 163 CA LEU A 13 6.261 -0.471 0.806 1.00 0.00 C ATOM 164 C LEU A 13 6.156 -1.081 2.205 1.00 0.00 C ATOM 165 O LEU A 13 5.613 -2.152 2.386 1.00 0.00 O ATOM 166 CB LEU A 13 7.384 -1.162 0.028 1.00 0.00 C ATOM 167 CG LEU A 13 8.730 -0.821 0.663 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.293 -2.059 1.364 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.701 -0.367 -0.430 1.00 0.00 C ATOM 0 H LEU A 13 7.387 1.302 0.418 1.00 0.00 H new ATOM 0 HA LEU A 13 5.317 -0.610 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.232 -2.241 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.370 -0.841 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 13 8.599 -0.022 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.254 -1.815 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.599 -2.386 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.428 -2.859 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.664 -0.122 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.832 -1.169 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.299 0.514 -0.931 1.00 0.00 H new ATOM 181 N TYR A 14 6.667 -0.406 3.199 1.00 0.00 N ATOM 182 CA TYR A 14 6.593 -0.947 4.586 1.00 0.00 C ATOM 183 C TYR A 14 5.184 -0.729 5.142 1.00 0.00 C ATOM 184 O TYR A 14 4.608 -1.601 5.762 1.00 0.00 O ATOM 185 CB TYR A 14 7.604 -0.221 5.473 1.00 0.00 C ATOM 186 CG TYR A 14 8.262 -1.212 6.406 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.478 -1.996 7.263 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.656 -1.346 6.414 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.089 -2.914 8.127 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.268 -2.264 7.277 1.00 0.00 C ATOM 191 CZ TYR A 14 9.484 -3.049 8.134 1.00 0.00 C ATOM 192 OH TYR A 14 10.086 -3.954 8.985 1.00 0.00 O ATOM 0 H TYR A 14 7.133 0.497 3.110 1.00 0.00 H new ATOM 0 HA TYR A 14 6.821 -2.013 4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.357 0.270 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.105 0.559 6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.403 -1.893 7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.260 -0.741 5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.485 -3.518 8.788 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.343 -2.367 7.282 1.00 0.00 H new ATOM 0 HH TYR A 14 11.058 -3.922 8.862 1.00 0.00 H new ATOM 202 N GLN A 15 4.626 0.432 4.929 1.00 0.00 N ATOM 203 CA GLN A 15 3.257 0.710 5.448 1.00 0.00 C ATOM 204 C GLN A 15 2.232 -0.125 4.676 1.00 0.00 C ATOM 205 O GLN A 15 1.358 -0.739 5.254 1.00 0.00 O ATOM 206 CB GLN A 15 2.937 2.196 5.273 1.00 0.00 C ATOM 207 CG GLN A 15 3.269 2.947 6.564 1.00 0.00 C ATOM 208 CD GLN A 15 2.400 2.413 7.705 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.908 1.977 8.718 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.101 2.431 7.582 1.00 0.00 N ATOM 0 H GLN A 15 5.060 1.200 4.417 1.00 0.00 H new ATOM 0 HA GLN A 15 3.213 0.448 6.505 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.512 2.607 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.883 2.325 5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.324 2.823 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.096 4.015 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.674 2.797 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.512 2.079 8.337 1.00 0.00 H new ATOM 219 N LEU A 16 2.328 -0.150 3.374 1.00 0.00 N ATOM 220 CA LEU A 16 1.351 -0.942 2.577 1.00 0.00 C ATOM 221 C LEU A 16 1.619 -2.436 2.770 1.00 0.00 C ATOM 222 O LEU A 16 0.790 -3.268 2.460 1.00 0.00 O ATOM 223 CB LEU A 16 1.479 -0.578 1.098 1.00 0.00 C ATOM 224 CG LEU A 16 2.909 -0.821 0.646 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.028 -2.240 0.098 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.275 0.183 -0.448 1.00 0.00 C ATOM 0 H LEU A 16 3.038 0.342 2.831 1.00 0.00 H new ATOM 0 HA LEU A 16 0.340 -0.714 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.790 -1.177 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.209 0.467 0.943 1.00 0.00 H new ATOM 0 HG LEU A 16 3.587 -0.698 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.053 -2.419 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.765 -2.955 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.352 -2.361 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.301 0.009 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.600 0.060 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.185 1.196 -0.057 1.00 0.00 H new ATOM 238 N GLU A 17 2.767 -2.786 3.285 1.00 0.00 N ATOM 239 CA GLU A 17 3.076 -4.227 3.499 1.00 0.00 C ATOM 240 C GLU A 17 2.010 -4.845 4.407 1.00 0.00 C ATOM 241 O GLU A 17 1.752 -6.032 4.360 1.00 0.00 O ATOM 242 CB GLU A 17 4.450 -4.366 4.159 1.00 0.00 C ATOM 243 CG GLU A 17 5.127 -5.649 3.669 1.00 0.00 C ATOM 244 CD GLU A 17 5.592 -6.475 4.870 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.746 -5.901 5.936 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.789 -7.668 4.703 1.00 0.00 O ATOM 0 H GLU A 17 3.502 -2.137 3.566 1.00 0.00 H new ATOM 0 HA GLU A 17 3.083 -4.743 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.069 -3.502 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.343 -4.390 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.432 -6.230 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.977 -5.403 3.033 1.00 0.00 H new ATOM 253 N ASN A 18 1.389 -4.050 5.234 1.00 0.00 N ATOM 254 CA ASN A 18 0.340 -4.591 6.145 1.00 0.00 C ATOM 255 C ASN A 18 -0.970 -4.771 5.372 1.00 0.00 C ATOM 256 O ASN A 18 -1.992 -5.103 5.938 1.00 0.00 O ATOM 257 CB ASN A 18 0.114 -3.615 7.301 1.00 0.00 C ATOM 258 CG ASN A 18 -0.466 -4.371 8.498 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.627 -4.218 8.824 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.299 -5.187 9.171 1.00 0.00 N ATOM 0 H ASN A 18 1.562 -3.048 5.319 1.00 0.00 H new ATOM 0 HA ASN A 18 0.666 -5.554 6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.054 -3.139 7.579 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.567 -2.821 6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.077 -5.696 9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.273 -5.315 8.897 1.00 0.00 H new ATOM 267 N TYR A 19 -0.950 -4.549 4.087 1.00 0.00 N ATOM 268 CA TYR A 19 -2.197 -4.705 3.287 1.00 0.00 C ATOM 269 C TYR A 19 -2.249 -6.110 2.686 1.00 0.00 C ATOM 270 O TYR A 19 -3.115 -6.427 1.895 1.00 0.00 O ATOM 271 CB TYR A 19 -2.211 -3.663 2.167 1.00 0.00 C ATOM 272 CG TYR A 19 -2.425 -2.291 2.760 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.529 -1.791 3.715 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.520 -1.516 2.356 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.728 -0.518 4.266 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.719 -0.243 2.907 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.823 0.256 3.862 1.00 0.00 C ATOM 278 OH TYR A 19 -3.018 1.509 4.406 1.00 0.00 O ATOM 0 H TYR A 19 -0.126 -4.267 3.557 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.065 -4.560 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.270 -3.691 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.003 -3.890 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.684 -2.388 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.211 -1.900 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.037 -0.134 5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.563 0.354 2.595 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.385 1.648 5.141 1.00 0.00 H new ATOM 288 N CYS A 20 -1.326 -6.956 3.054 1.00 0.00 N ATOM 289 CA CYS A 20 -1.322 -8.339 2.507 1.00 0.00 C ATOM 290 C CYS A 20 -2.509 -9.116 3.082 1.00 0.00 C ATOM 291 O CYS A 20 -3.295 -8.592 3.846 1.00 0.00 O ATOM 292 CB CYS A 20 -0.018 -9.032 2.907 1.00 0.00 C ATOM 293 SG CYS A 20 0.600 -9.994 1.510 1.00 0.00 S ATOM 0 H CYS A 20 -0.574 -6.747 3.711 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.402 -8.306 1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.723 -8.292 3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.187 -9.683 3.765 1.00 0.00 H new ATOM 298 N ASN A 21 -2.642 -10.363 2.722 1.00 0.00 N ATOM 299 CA ASN A 21 -3.775 -11.175 3.248 1.00 0.00 C ATOM 300 C ASN A 21 -3.524 -12.653 2.946 1.00 0.00 C ATOM 301 O ASN A 21 -3.659 -13.034 1.795 1.00 0.00 O ATOM 302 CB ASN A 21 -5.078 -10.732 2.578 1.00 0.00 C ATOM 303 CG ASN A 21 -4.828 -10.492 1.087 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.749 -10.748 0.593 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.787 -10.007 0.346 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.199 -13.381 3.870 1.00 0.00 O ATOM 0 H ASN A 21 -2.014 -10.855 2.086 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.855 -11.031 4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.846 -11.494 2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.449 -9.821 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.630 -9.843 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.693 -9.792 0.761 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.166 4.759 1.088 1.00 0.00 N ATOM 315 CA PHE B 1 12.024 5.408 0.382 1.00 0.00 C ATOM 316 C PHE B 1 11.406 6.473 1.285 1.00 0.00 C ATOM 317 O PHE B 1 11.091 6.225 2.431 1.00 0.00 O ATOM 318 CB PHE B 1 10.973 4.354 0.032 1.00 0.00 C ATOM 319 CG PHE B 1 11.659 3.091 -0.433 1.00 0.00 C ATOM 320 CD1 PHE B 1 12.163 2.180 0.505 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.793 2.832 -1.804 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.801 1.010 0.073 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.431 1.661 -2.235 1.00 0.00 C ATOM 324 CZ PHE B 1 12.934 0.750 -1.297 1.00 0.00 C ATOM 0 H1 PHE B 1 13.261 3.775 0.764 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.043 5.278 0.880 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.992 4.770 2.113 1.00 0.00 H new ATOM 0 HA PHE B 1 12.382 5.876 -0.535 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.351 4.143 0.902 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.312 4.730 -0.749 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.060 2.380 1.561 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.405 3.534 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.190 0.309 0.796 1.00 0.00 H new ATOM 0 HE2 PHE B 1 12.535 1.461 -3.291 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.424 -0.153 -1.630 1.00 0.00 H new ATOM 336 N VAL B 2 11.238 7.661 0.775 1.00 0.00 N ATOM 337 CA VAL B 2 10.646 8.746 1.606 1.00 0.00 C ATOM 338 C VAL B 2 9.749 9.633 0.758 1.00 0.00 C ATOM 339 O VAL B 2 9.350 10.712 1.153 1.00 0.00 O ATOM 340 CB VAL B 2 11.768 9.591 2.172 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.268 10.354 3.395 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.941 8.693 2.568 1.00 0.00 C ATOM 0 H VAL B 2 11.484 7.927 -0.178 1.00 0.00 H new ATOM 0 HA VAL B 2 10.055 8.301 2.406 1.00 0.00 H new ATOM 0 HB VAL B 2 12.100 10.302 1.415 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.077 10.961 3.801 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.439 11.000 3.107 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.931 9.646 4.152 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.746 9.305 2.975 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.613 7.977 3.322 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.301 8.156 1.690 1.00 0.00 H new ATOM 352 N ASN B 3 9.438 9.177 -0.396 1.00 0.00 N ATOM 353 CA ASN B 3 8.564 9.959 -1.315 1.00 0.00 C ATOM 354 C ASN B 3 8.297 9.147 -2.578 1.00 0.00 C ATOM 355 O ASN B 3 9.153 9.000 -3.427 1.00 0.00 O ATOM 356 CB ASN B 3 9.257 11.271 -1.686 1.00 0.00 C ATOM 357 CG ASN B 3 10.745 11.016 -1.924 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.115 10.347 -2.870 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.623 11.521 -1.103 1.00 0.00 N ATOM 0 H ASN B 3 9.751 8.279 -0.764 1.00 0.00 H new ATOM 0 HA ASN B 3 7.618 10.177 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.802 11.693 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.126 12.001 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.618 11.355 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.315 12.082 -0.309 1.00 0.00 H new ATOM 366 N GLN B 4 7.114 8.614 -2.708 1.00 0.00 N ATOM 367 CA GLN B 4 6.794 7.811 -3.916 1.00 0.00 C ATOM 368 C GLN B 4 5.277 7.718 -4.083 1.00 0.00 C ATOM 369 O GLN B 4 4.713 6.643 -4.147 1.00 0.00 O ATOM 370 CB GLN B 4 7.375 6.409 -3.753 1.00 0.00 C ATOM 371 CG GLN B 4 7.984 5.961 -5.080 1.00 0.00 C ATOM 372 CD GLN B 4 7.979 4.433 -5.160 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.685 3.765 -4.189 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.293 3.849 -6.283 1.00 0.00 N ATOM 0 H GLN B 4 6.357 8.701 -2.030 1.00 0.00 H new ATOM 0 HA GLN B 4 7.224 8.288 -4.797 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.134 6.406 -2.971 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.595 5.713 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.417 6.380 -5.911 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.004 6.336 -5.168 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.540 4.410 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.292 2.831 -6.346 1.00 0.00 H new ATOM 383 N HIS B 5 4.613 8.836 -4.153 1.00 0.00 N ATOM 384 CA HIS B 5 3.131 8.817 -4.316 1.00 0.00 C ATOM 385 C HIS B 5 2.755 7.900 -5.482 1.00 0.00 C ATOM 386 O HIS B 5 3.203 8.085 -6.595 1.00 0.00 O ATOM 387 CB HIS B 5 2.630 10.233 -4.609 1.00 0.00 C ATOM 388 CG HIS B 5 3.358 11.217 -3.736 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.621 12.501 -4.165 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.868 11.094 -2.475 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.274 13.113 -3.166 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.448 12.291 -2.111 1.00 0.00 N ATOM 0 H HIS B 5 5.032 9.765 -4.104 1.00 0.00 H new ATOM 0 HA HIS B 5 2.673 8.449 -3.398 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.790 10.476 -5.659 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.557 10.295 -4.427 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.824 10.205 -1.863 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.618 14.136 -3.202 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.911 12.509 -1.229 1.00 0.00 H new ATOM 400 N LEU B 6 1.930 6.915 -5.239 1.00 0.00 N ATOM 401 CA LEU B 6 1.527 5.997 -6.341 1.00 0.00 C ATOM 402 C LEU B 6 0.012 5.782 -6.294 1.00 0.00 C ATOM 403 O LEU B 6 -0.571 5.630 -5.239 1.00 0.00 O ATOM 404 CB LEU B 6 2.237 4.653 -6.175 1.00 0.00 C ATOM 405 CG LEU B 6 3.719 4.815 -6.517 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.377 3.439 -6.576 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.862 5.503 -7.876 1.00 0.00 C ATOM 0 H LEU B 6 1.520 6.708 -4.328 1.00 0.00 H new ATOM 0 HA LEU B 6 1.805 6.437 -7.299 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.126 4.295 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.782 3.906 -6.826 1.00 0.00 H new ATOM 0 HG LEU B 6 4.203 5.422 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.434 3.551 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.278 2.947 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.890 2.835 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.919 5.617 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.378 4.898 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.391 6.485 -7.838 1.00 0.00 H new ATOM 419 N CYS B 7 -0.629 5.767 -7.430 1.00 0.00 N ATOM 420 CA CYS B 7 -2.103 5.564 -7.452 1.00 0.00 C ATOM 421 C CYS B 7 -2.452 4.482 -8.473 1.00 0.00 C ATOM 422 O CYS B 7 -1.592 3.779 -8.965 1.00 0.00 O ATOM 423 CB CYS B 7 -2.794 6.873 -7.842 1.00 0.00 C ATOM 424 SG CYS B 7 -2.030 8.248 -6.944 1.00 0.00 S ATOM 0 H CYS B 7 -0.194 5.887 -8.345 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.441 5.255 -6.463 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.710 7.035 -8.917 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.858 6.819 -7.610 1.00 0.00 H new ATOM 429 N GLY B 8 -3.709 4.346 -8.793 1.00 0.00 N ATOM 430 CA GLY B 8 -4.130 3.316 -9.787 1.00 0.00 C ATOM 431 C GLY B 8 -3.349 2.018 -9.566 1.00 0.00 C ATOM 432 O GLY B 8 -2.836 1.760 -8.493 1.00 0.00 O ATOM 0 H GLY B 8 -4.468 4.907 -8.407 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.199 3.126 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.959 3.685 -10.798 1.00 0.00 H new ATOM 436 N SER B 9 -3.257 1.197 -10.579 1.00 0.00 N ATOM 437 CA SER B 9 -2.517 -0.086 -10.435 1.00 0.00 C ATOM 438 C SER B 9 -1.079 0.194 -9.986 1.00 0.00 C ATOM 439 O SER B 9 -0.415 -0.656 -9.426 1.00 0.00 O ATOM 440 CB SER B 9 -2.497 -0.818 -11.777 1.00 0.00 C ATOM 441 OG SER B 9 -2.675 0.123 -12.828 1.00 0.00 O ATOM 0 H SER B 9 -3.664 1.362 -11.500 1.00 0.00 H new ATOM 0 HA SER B 9 -3.014 -0.706 -9.689 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.552 -1.346 -11.902 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.287 -1.568 -11.807 1.00 0.00 H new ATOM 0 HG SER B 9 -2.661 -0.343 -13.690 1.00 0.00 H new ATOM 447 N HIS B 10 -0.594 1.379 -10.224 1.00 0.00 N ATOM 448 CA HIS B 10 0.802 1.708 -9.809 1.00 0.00 C ATOM 449 C HIS B 10 0.918 1.588 -8.291 1.00 0.00 C ATOM 450 O HIS B 10 1.776 0.901 -7.776 1.00 0.00 O ATOM 451 CB HIS B 10 1.161 3.138 -10.228 1.00 0.00 C ATOM 452 CG HIS B 10 0.446 3.498 -11.502 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.003 3.248 -12.738 1.00 0.00 N ATOM 454 CD2 HIS B 10 -0.767 4.092 -11.712 1.00 0.00 C ATOM 455 CE1 HIS B 10 0.126 3.690 -13.651 1.00 0.00 C ATOM 456 NE2 HIS B 10 -0.973 4.216 -13.070 1.00 0.00 N ATOM 0 H HIS B 10 -1.100 2.134 -10.687 1.00 0.00 H new ATOM 0 HA HIS B 10 1.487 1.013 -10.294 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.886 3.837 -9.438 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.238 3.224 -10.370 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -1.452 4.412 -10.941 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.280 3.632 -14.718 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.785 4.620 -13.537 1.00 0.00 H new ATOM 464 N LEU B 11 0.065 2.254 -7.568 1.00 0.00 N ATOM 465 CA LEU B 11 0.137 2.177 -6.087 1.00 0.00 C ATOM 466 C LEU B 11 0.037 0.711 -5.641 1.00 0.00 C ATOM 467 O LEU B 11 0.675 0.296 -4.691 1.00 0.00 O ATOM 468 CB LEU B 11 -0.989 3.019 -5.479 1.00 0.00 C ATOM 469 CG LEU B 11 -2.207 2.154 -5.184 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.046 1.517 -3.807 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.445 3.032 -5.198 1.00 0.00 C ATOM 0 H LEU B 11 -0.677 2.847 -7.939 1.00 0.00 H new ATOM 0 HA LEU B 11 1.091 2.574 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.641 3.492 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.263 3.820 -6.166 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.303 1.371 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.915 0.896 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.147 0.900 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.961 2.299 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.325 2.424 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.350 3.807 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.551 3.496 -6.178 1.00 0.00 H new ATOM 483 N VAL B 12 -0.747 -0.084 -6.322 1.00 0.00 N ATOM 484 CA VAL B 12 -0.855 -1.519 -5.919 1.00 0.00 C ATOM 485 C VAL B 12 0.302 -2.292 -6.532 1.00 0.00 C ATOM 486 O VAL B 12 0.801 -3.234 -5.952 1.00 0.00 O ATOM 487 CB VAL B 12 -2.182 -2.142 -6.372 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.147 -2.195 -5.193 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.809 -1.318 -7.488 1.00 0.00 C ATOM 0 H VAL B 12 -1.309 0.192 -7.127 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.819 -1.571 -4.831 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.984 -3.148 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.090 -2.637 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.715 -2.800 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.327 -1.185 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.749 -1.777 -7.795 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.999 -0.306 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.129 -1.281 -8.339 1.00 0.00 H new ATOM 499 N GLU B 13 0.759 -1.897 -7.690 1.00 0.00 N ATOM 500 CA GLU B 13 1.906 -2.622 -8.297 1.00 0.00 C ATOM 501 C GLU B 13 2.976 -2.745 -7.218 1.00 0.00 C ATOM 502 O GLU B 13 3.759 -3.674 -7.193 1.00 0.00 O ATOM 503 CB GLU B 13 2.438 -1.858 -9.516 1.00 0.00 C ATOM 504 CG GLU B 13 3.328 -0.698 -9.073 1.00 0.00 C ATOM 505 CD GLU B 13 4.784 -1.007 -9.427 1.00 0.00 C ATOM 506 OE1 GLU B 13 5.080 -2.165 -9.670 1.00 0.00 O ATOM 507 OE2 GLU B 13 5.578 -0.081 -9.449 1.00 0.00 O ATOM 0 H GLU B 13 0.393 -1.115 -8.233 1.00 0.00 H new ATOM 0 HA GLU B 13 1.604 -3.609 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.004 -2.534 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.604 -1.479 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.012 0.224 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.230 -0.540 -7.999 1.00 0.00 H new ATOM 514 N ALA B 14 2.970 -1.823 -6.294 1.00 0.00 N ATOM 515 CA ALA B 14 3.933 -1.880 -5.172 1.00 0.00 C ATOM 516 C ALA B 14 3.385 -2.897 -4.177 1.00 0.00 C ATOM 517 O ALA B 14 4.097 -3.750 -3.682 1.00 0.00 O ATOM 518 CB ALA B 14 4.036 -0.501 -4.518 1.00 0.00 C ATOM 0 H ALA B 14 2.331 -1.028 -6.274 1.00 0.00 H new ATOM 0 HA ALA B 14 4.928 -2.168 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.745 -0.542 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.379 0.226 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.057 -0.203 -4.142 1.00 0.00 H new ATOM 524 N LEU B 15 2.105 -2.833 -3.911 1.00 0.00 N ATOM 525 CA LEU B 15 1.489 -3.821 -2.983 1.00 0.00 C ATOM 526 C LEU B 15 1.629 -5.207 -3.607 1.00 0.00 C ATOM 527 O LEU B 15 2.070 -6.149 -2.980 1.00 0.00 O ATOM 528 CB LEU B 15 0.007 -3.499 -2.804 1.00 0.00 C ATOM 529 CG LEU B 15 -0.169 -2.629 -1.565 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.601 -2.103 -1.510 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.116 -3.468 -0.316 1.00 0.00 C ATOM 0 H LEU B 15 1.464 -2.140 -4.297 1.00 0.00 H new ATOM 0 HA LEU B 15 1.983 -3.785 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.374 -2.981 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.568 -4.419 -2.702 1.00 0.00 H new ATOM 0 HG LEU B 15 0.523 -1.788 -1.607 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.726 -1.481 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.805 -1.510 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.295 -2.942 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.008 -2.850 0.573 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.578 -4.307 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.138 -3.845 -0.356 1.00 0.00 H new ATOM 543 N TYR B 16 1.265 -5.324 -4.854 1.00 0.00 N ATOM 544 CA TYR B 16 1.379 -6.629 -5.554 1.00 0.00 C ATOM 545 C TYR B 16 2.812 -7.142 -5.411 1.00 0.00 C ATOM 546 O TYR B 16 3.065 -8.330 -5.436 1.00 0.00 O ATOM 547 CB TYR B 16 1.050 -6.425 -7.035 1.00 0.00 C ATOM 548 CG TYR B 16 -0.050 -7.370 -7.448 1.00 0.00 C ATOM 549 CD1 TYR B 16 -0.056 -8.686 -6.971 1.00 0.00 C ATOM 550 CD2 TYR B 16 -1.063 -6.931 -8.309 1.00 0.00 C ATOM 551 CE1 TYR B 16 -1.077 -9.566 -7.355 1.00 0.00 C ATOM 552 CE2 TYR B 16 -2.085 -7.809 -8.694 1.00 0.00 C ATOM 553 CZ TYR B 16 -2.092 -9.127 -8.216 1.00 0.00 C ATOM 554 OH TYR B 16 -3.097 -9.992 -8.595 1.00 0.00 O ATOM 0 H TYR B 16 0.890 -4.563 -5.421 1.00 0.00 H new ATOM 0 HA TYR B 16 0.688 -7.353 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.741 -5.394 -7.210 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.939 -6.599 -7.642 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.726 -9.023 -6.307 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.057 -5.915 -8.677 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.082 -10.582 -6.988 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.866 -7.471 -9.358 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.720 -9.528 -9.193 1.00 0.00 H new ATOM 564 N LEU B 17 3.753 -6.249 -5.259 1.00 0.00 N ATOM 565 CA LEU B 17 5.172 -6.673 -5.110 1.00 0.00 C ATOM 566 C LEU B 17 5.450 -7.009 -3.644 1.00 0.00 C ATOM 567 O LEU B 17 5.958 -8.067 -3.327 1.00 0.00 O ATOM 568 CB LEU B 17 6.093 -5.534 -5.557 1.00 0.00 C ATOM 569 CG LEU B 17 7.270 -6.108 -6.347 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.149 -5.697 -7.814 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.580 -5.565 -5.772 1.00 0.00 C ATOM 0 H LEU B 17 3.598 -5.241 -5.232 1.00 0.00 H new ATOM 0 HA LEU B 17 5.357 -7.553 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.539 -4.825 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.458 -4.985 -4.689 1.00 0.00 H new ATOM 0 HG LEU B 17 7.262 -7.195 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.988 -6.106 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.215 -6.082 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.158 -4.610 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.421 -5.973 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.587 -4.478 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.667 -5.857 -4.726 1.00 0.00 H new ATOM 583 N VAL B 18 5.117 -6.121 -2.744 1.00 0.00 N ATOM 584 CA VAL B 18 5.360 -6.400 -1.300 1.00 0.00 C ATOM 585 C VAL B 18 4.907 -7.831 -0.996 1.00 0.00 C ATOM 586 O VAL B 18 5.610 -8.603 -0.375 1.00 0.00 O ATOM 587 CB VAL B 18 4.584 -5.384 -0.443 1.00 0.00 C ATOM 588 CG1 VAL B 18 3.202 -5.923 -0.062 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.378 -5.088 0.830 1.00 0.00 C ATOM 0 H VAL B 18 4.689 -5.218 -2.947 1.00 0.00 H new ATOM 0 HA VAL B 18 6.420 -6.304 -1.065 1.00 0.00 H new ATOM 0 HB VAL B 18 4.449 -4.473 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.677 -5.184 0.543 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.628 -6.125 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.316 -6.845 0.509 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.832 -4.369 1.440 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.518 -6.010 1.394 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.351 -4.674 0.564 1.00 0.00 H new ATOM 599 N CYS B 19 3.736 -8.185 -1.446 1.00 0.00 N ATOM 600 CA CYS B 19 3.226 -9.563 -1.206 1.00 0.00 C ATOM 601 C CYS B 19 3.768 -10.493 -2.296 1.00 0.00 C ATOM 602 O CYS B 19 4.724 -11.214 -2.092 1.00 0.00 O ATOM 603 CB CYS B 19 1.697 -9.553 -1.262 1.00 0.00 C ATOM 604 SG CYS B 19 1.050 -8.596 0.126 1.00 0.00 S ATOM 0 H CYS B 19 3.108 -7.577 -1.972 1.00 0.00 H new ATOM 0 HA CYS B 19 3.552 -9.913 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.360 -9.121 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.314 -10.573 -1.224 1.00 0.00 H new HETATM 609 N DAL B 20 3.166 -10.471 -3.454 1.00 0.00 N HETATM 610 CA DAL B 20 3.645 -11.342 -4.566 1.00 0.00 C HETATM 611 CB DAL B 20 2.937 -10.943 -5.863 1.00 0.00 C HETATM 612 C DAL B 20 3.342 -12.807 -4.251 1.00 0.00 C HETATM 613 O DAL B 20 3.885 -13.707 -4.863 1.00 0.00 O HETATM 0 HB3 DAL B 20 1.861 -11.065 -5.742 1.00 0.00 H new HETATM 0 HB2 DAL B 20 3.160 -9.901 -6.094 1.00 0.00 H new HETATM 0 HB1 DAL B 20 3.285 -11.578 -6.678 1.00 0.00 H new HETATM 0 HA DAL B 20 4.722 -11.217 -4.680 1.00 0.00 H new HETATM 0 H DAL B 20 2.470 -9.748 -3.636 1.00 0.00 H new ATOM 619 N GLU B 21 2.481 -13.060 -3.307 1.00 0.00 N ATOM 620 CA GLU B 21 2.153 -14.472 -2.965 1.00 0.00 C ATOM 621 C GLU B 21 0.871 -14.521 -2.129 1.00 0.00 C ATOM 622 O GLU B 21 0.021 -15.366 -2.327 1.00 0.00 O ATOM 623 CB GLU B 21 3.305 -15.082 -2.167 1.00 0.00 C ATOM 624 CG GLU B 21 3.533 -16.524 -2.620 1.00 0.00 C ATOM 625 CD GLU B 21 5.033 -16.820 -2.654 1.00 0.00 C ATOM 626 OE1 GLU B 21 5.677 -16.412 -3.606 1.00 0.00 O ATOM 627 OE2 GLU B 21 5.513 -17.449 -1.725 1.00 0.00 O ATOM 0 H GLU B 21 1.991 -12.353 -2.758 1.00 0.00 H new ATOM 0 HA GLU B 21 2.003 -15.039 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.213 -14.496 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.077 -15.056 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.031 -17.213 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.099 -16.678 -3.608 1.00 0.00 H new ATOM 634 N ARG B 22 0.727 -13.624 -1.193 1.00 0.00 N ATOM 635 CA ARG B 22 -0.497 -13.625 -0.343 1.00 0.00 C ATOM 636 C ARG B 22 -1.669 -13.032 -1.126 1.00 0.00 C ATOM 637 O ARG B 22 -2.815 -13.355 -0.884 1.00 0.00 O ATOM 638 CB ARG B 22 -0.248 -12.782 0.908 1.00 0.00 C ATOM 639 CG ARG B 22 -0.543 -13.617 2.154 1.00 0.00 C ATOM 640 CD ARG B 22 0.485 -14.740 2.269 1.00 0.00 C ATOM 641 NE ARG B 22 0.206 -15.546 3.490 1.00 0.00 N ATOM 642 CZ ARG B 22 1.172 -15.828 4.318 1.00 0.00 C ATOM 643 NH1 ARG B 22 1.519 -14.967 5.235 1.00 0.00 N ATOM 644 NH2 ARG B 22 1.790 -16.974 4.231 1.00 0.00 N ATOM 0 H ARG B 22 1.403 -12.891 -0.980 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.734 -14.649 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.785 -12.436 0.926 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.881 -11.895 0.894 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.510 -12.987 3.043 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -1.548 -14.034 2.096 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.446 -15.375 1.384 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.491 -14.323 2.318 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.740 -15.877 3.678 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.034 -14.072 5.304 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.275 -15.189 5.883 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.517 -17.648 3.516 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.546 -17.196 4.878 1.00 0.00 H new HETATM 658 N DAL B 23 -1.396 -12.163 -2.058 1.00 0.00 N HETATM 659 CA DAL B 23 -2.501 -11.547 -2.847 1.00 0.00 C HETATM 660 CB DAL B 23 -1.935 -10.940 -4.133 1.00 0.00 C HETATM 661 C DAL B 23 -3.163 -10.451 -2.012 1.00 0.00 C HETATM 662 O DAL B 23 -4.322 -10.542 -1.655 1.00 0.00 O HETATM 0 HB3 DAL B 23 -1.199 -10.176 -3.882 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -1.459 -11.721 -4.725 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -2.743 -10.490 -4.709 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.238 -12.308 -3.103 1.00 0.00 H new HETATM 0 H DAL B 23 -0.439 -12.131 -2.410 1.00 0.00 H new ATOM 668 N PHE B 24 -2.434 -9.415 -1.694 1.00 0.00 N ATOM 669 CA PHE B 24 -3.011 -8.308 -0.879 1.00 0.00 C ATOM 670 C PHE B 24 -4.348 -7.863 -1.485 1.00 0.00 C ATOM 671 O PHE B 24 -4.818 -8.417 -2.458 1.00 0.00 O ATOM 672 CB PHE B 24 -2.032 -7.126 -0.870 1.00 0.00 C ATOM 673 CG PHE B 24 -2.153 -6.361 -2.169 1.00 0.00 C ATOM 674 CD1 PHE B 24 -1.419 -6.767 -3.293 1.00 0.00 C ATOM 675 CD2 PHE B 24 -3.015 -5.260 -2.255 1.00 0.00 C ATOM 676 CE1 PHE B 24 -1.548 -6.070 -4.500 1.00 0.00 C ATOM 677 CE2 PHE B 24 -3.141 -4.563 -3.462 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.410 -4.968 -4.583 1.00 0.00 C ATOM 0 H PHE B 24 -1.459 -9.288 -1.965 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.178 -8.654 0.141 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.246 -6.469 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.011 -7.486 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.755 -7.616 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.582 -4.949 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.984 -6.381 -5.367 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.803 -3.712 -3.528 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.510 -4.431 -5.515 1.00 0.00 H new ATOM 688 N PHE B 25 -4.954 -6.854 -0.922 1.00 0.00 N ATOM 689 CA PHE B 25 -6.248 -6.362 -1.469 1.00 0.00 C ATOM 690 C PHE B 25 -6.366 -4.858 -1.223 1.00 0.00 C ATOM 691 O PHE B 25 -6.543 -4.414 -0.107 1.00 0.00 O ATOM 692 CB PHE B 25 -7.402 -7.082 -0.779 1.00 0.00 C ATOM 693 CG PHE B 25 -7.438 -6.697 0.683 1.00 0.00 C ATOM 694 CD1 PHE B 25 -6.529 -7.270 1.580 1.00 0.00 C ATOM 695 CD2 PHE B 25 -8.384 -5.768 1.141 1.00 0.00 C ATOM 696 CE1 PHE B 25 -6.563 -6.916 2.936 1.00 0.00 C ATOM 697 CE2 PHE B 25 -8.418 -5.415 2.497 1.00 0.00 C ATOM 698 CZ PHE B 25 -7.507 -5.989 3.395 1.00 0.00 C ATOM 0 H PHE B 25 -4.608 -6.349 -0.106 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.287 -6.560 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.346 -6.820 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.282 -8.161 -0.879 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.801 -7.985 1.227 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.085 -5.325 0.449 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.861 -7.358 3.627 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.146 -4.700 2.850 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.533 -5.716 4.440 1.00 0.00 H new ATOM 708 N TYR B 26 -6.268 -4.070 -2.257 1.00 0.00 N ATOM 709 CA TYR B 26 -6.377 -2.596 -2.078 1.00 0.00 C ATOM 710 C TYR B 26 -7.779 -2.243 -1.580 1.00 0.00 C ATOM 711 O TYR B 26 -8.767 -2.518 -2.230 1.00 0.00 O ATOM 712 CB TYR B 26 -6.120 -1.893 -3.412 1.00 0.00 C ATOM 713 CG TYR B 26 -5.636 -0.489 -3.143 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.577 -0.275 -2.250 1.00 0.00 C ATOM 715 CD2 TYR B 26 -6.249 0.600 -3.777 1.00 0.00 C ATOM 716 CE1 TYR B 26 -4.131 1.027 -1.993 1.00 0.00 C ATOM 717 CE2 TYR B 26 -5.802 1.903 -3.521 1.00 0.00 C ATOM 718 CZ TYR B 26 -4.742 2.115 -2.628 1.00 0.00 C ATOM 719 OH TYR B 26 -4.302 3.398 -2.373 1.00 0.00 O ATOM 0 H TYR B 26 -6.117 -4.382 -3.216 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.637 -2.268 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.377 -2.443 -3.990 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.033 -1.869 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.105 -1.114 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.066 0.435 -4.463 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.315 1.192 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.273 2.743 -4.011 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.408 3.364 -1.973 1.00 0.00 H new ATOM 729 N THR B 27 -7.874 -1.631 -0.432 1.00 0.00 N ATOM 730 CA THR B 27 -9.213 -1.257 0.104 1.00 0.00 C ATOM 731 C THR B 27 -9.623 0.101 -0.467 1.00 0.00 C ATOM 732 O THR B 27 -9.751 1.076 0.248 1.00 0.00 O ATOM 733 CB THR B 27 -9.147 -1.175 1.629 1.00 0.00 C ATOM 734 OG1 THR B 27 -10.449 -0.938 2.147 1.00 0.00 O ATOM 735 CG2 THR B 27 -8.218 -0.036 2.034 1.00 0.00 C ATOM 0 H THR B 27 -7.083 -1.374 0.158 1.00 0.00 H new ATOM 0 HA THR B 27 -9.947 -2.010 -0.184 1.00 0.00 H new ATOM 0 HB THR B 27 -8.765 -2.114 2.030 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.755 -0.050 1.868 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.169 0.025 3.121 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.220 -0.221 1.636 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.599 0.904 1.635 1.00 0.00 H new ATOM 743 N LYS B 28 -9.822 0.173 -1.755 1.00 0.00 N ATOM 744 CA LYS B 28 -10.217 1.464 -2.382 1.00 0.00 C ATOM 745 C LYS B 28 -11.745 1.655 -2.327 1.00 0.00 C ATOM 746 O LYS B 28 -12.208 2.740 -2.031 1.00 0.00 O ATOM 747 CB LYS B 28 -9.744 1.491 -3.840 1.00 0.00 C ATOM 748 CG LYS B 28 -10.414 2.652 -4.579 1.00 0.00 C ATOM 749 CD LYS B 28 -9.700 2.889 -5.912 1.00 0.00 C ATOM 750 CE LYS B 28 -10.627 2.493 -7.064 1.00 0.00 C ATOM 751 NZ LYS B 28 -9.887 2.590 -8.353 1.00 0.00 N ATOM 0 H LYS B 28 -9.727 -0.610 -2.401 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.749 2.278 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -8.660 1.600 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.987 0.548 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.466 2.427 -4.753 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.377 3.555 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.416 3.937 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -8.781 2.305 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.992 1.477 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.500 3.146 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.517 2.321 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.559 3.567 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.068 1.950 -8.332 1.00 0.00 H new ATOM 765 N PRO B 29 -12.493 0.614 -2.625 1.00 0.00 N ATOM 766 CA PRO B 29 -13.966 0.681 -2.621 1.00 0.00 C ATOM 767 C PRO B 29 -14.511 0.600 -1.192 1.00 0.00 C ATOM 768 O PRO B 29 -15.704 0.656 -0.972 1.00 0.00 O ATOM 769 CB PRO B 29 -14.387 -0.545 -3.434 1.00 0.00 C ATOM 770 CG PRO B 29 -13.202 -1.537 -3.371 1.00 0.00 C ATOM 771 CD PRO B 29 -11.956 -0.717 -2.989 1.00 0.00 C ATOM 0 HA PRO B 29 -14.348 1.614 -3.035 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.291 -0.993 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.609 -0.270 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.391 -2.319 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.060 -2.031 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.420 -1.172 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.254 -0.649 -3.820 1.00 0.00 H new ATOM 779 N THR B 30 -13.647 0.468 -0.221 1.00 0.00 N ATOM 780 CA THR B 30 -14.121 0.383 1.191 1.00 0.00 C ATOM 781 C THR B 30 -15.227 1.415 1.424 1.00 0.00 C ATOM 782 O THR B 30 -16.058 1.178 2.285 1.00 0.00 O ATOM 783 CB THR B 30 -12.955 0.669 2.141 1.00 0.00 C ATOM 784 OG1 THR B 30 -11.762 0.833 1.388 1.00 0.00 O ATOM 785 CG2 THR B 30 -12.790 -0.495 3.118 1.00 0.00 C ATOM 786 OXT THR B 30 -15.223 2.424 0.738 1.00 0.00 O ATOM 0 H THR B 30 -12.636 0.415 -0.344 1.00 0.00 H new ATOM 0 HA THR B 30 -14.510 -0.618 1.380 1.00 0.00 H new ATOM 0 HB THR B 30 -13.159 1.581 2.701 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.483 1.772 1.417 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.959 -0.289 3.793 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.706 -0.617 3.696 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.587 -1.410 2.562 1.00 0.00 H new TER 794 THR B 30