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= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 8 THR OG1 : rot -174:sc= -7.39! USER MOD Single : A 9 SER OG : rot 180:sc= 0 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= -0.271 X(o=-0.27,f=-0.16) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -1.81! USER MOD Single : A 21 ASN : amide:sc=-0.00953 X(o=-0.0095,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.5) USER MOD Single : B 4 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.06) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.0551 F(o=-1.7,f=-0.055) USER MOD Single : B 8 DSN OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 6:sc= 1.06 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 125:sc= -6.91! USER MOD Single : B 27 THR OG1 : rot 28:sc= 0.296 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -55:sc= 0.954 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.251 3.690 2.420 1.00 0.00 N ATOM 2 CA GLY A 1 -8.700 2.635 3.315 1.00 0.00 C ATOM 3 C GLY A 1 -7.406 3.060 3.982 1.00 0.00 C ATOM 4 O GLY A 1 -7.336 4.125 4.594 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.135 3.352 1.988 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.443 4.549 2.973 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.561 3.906 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.437 2.391 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.527 1.727 2.738 1.00 0.00 H new ATOM 10 N ILE A 2 -6.377 2.225 3.866 1.00 0.00 N ATOM 11 CA ILE A 2 -5.079 2.523 4.466 1.00 0.00 C ATOM 12 C ILE A 2 -4.301 3.522 3.615 1.00 0.00 C ATOM 13 O ILE A 2 -3.671 4.443 4.137 1.00 0.00 O ATOM 14 CB ILE A 2 -4.227 1.250 4.652 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.116 0.043 4.966 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.199 1.457 5.754 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.332 -0.871 3.780 1.00 0.00 C ATOM 0 H ILE A 2 -6.416 1.338 3.363 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.280 2.956 5.446 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.700 1.050 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.666 -0.528 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.083 0.397 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.606 0.550 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.544 2.287 5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.710 1.682 6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.970 -1.704 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.810 -0.314 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.371 -1.254 3.436 1.00 0.00 H new ATOM 29 N VAL A 3 -4.357 3.333 2.302 1.00 0.00 N ATOM 30 CA VAL A 3 -3.668 4.214 1.367 1.00 0.00 C ATOM 31 C VAL A 3 -4.165 5.652 1.524 1.00 0.00 C ATOM 32 O VAL A 3 -5.164 6.054 0.929 1.00 0.00 O ATOM 33 CB VAL A 3 -3.853 3.719 -0.090 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.097 4.857 -1.071 1.00 0.00 C ATOM 35 CG2 VAL A 3 -2.641 2.907 -0.511 1.00 0.00 C ATOM 0 H VAL A 3 -4.875 2.574 1.859 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.602 4.195 1.595 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.745 3.092 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.219 4.452 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.000 5.397 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.247 5.539 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.774 2.560 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.748 3.529 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.530 2.048 0.151 1.00 0.00 H new ATOM 45 N GLU A 4 -3.470 6.414 2.352 1.00 0.00 N ATOM 46 CA GLU A 4 -3.836 7.801 2.606 1.00 0.00 C ATOM 47 C GLU A 4 -3.133 8.750 1.653 1.00 0.00 C ATOM 48 O GLU A 4 -3.760 9.647 1.108 1.00 0.00 O ATOM 49 CB GLU A 4 -3.532 8.173 4.057 1.00 0.00 C ATOM 50 CG GLU A 4 -2.233 7.585 4.590 1.00 0.00 C ATOM 51 CD GLU A 4 -1.526 8.510 5.560 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.273 9.677 5.192 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.221 8.068 6.688 1.00 0.00 O ATOM 0 H GLU A 4 -2.646 6.096 2.862 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.908 7.899 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.488 9.259 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.356 7.838 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.445 6.638 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.569 7.365 3.754 1.00 0.00 H new ATOM 60 N GLN A 5 -1.832 8.558 1.478 1.00 0.00 N ATOM 61 CA GLN A 5 -1.028 9.396 0.597 1.00 0.00 C ATOM 62 C GLN A 5 -0.936 8.820 -0.824 1.00 0.00 C ATOM 63 O GLN A 5 -0.931 9.559 -1.796 1.00 0.00 O ATOM 64 CB GLN A 5 0.371 9.606 1.177 1.00 0.00 C ATOM 65 CG GLN A 5 0.398 9.745 2.692 1.00 0.00 C ATOM 66 CD GLN A 5 0.982 11.069 3.144 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.906 11.109 3.958 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.443 12.163 2.618 1.00 0.00 N ATOM 0 H GLN A 5 -1.305 7.818 1.942 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.531 10.361 0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.003 8.766 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.807 10.501 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.616 9.647 3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.983 8.930 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.321 12.083 1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.793 13.083 2.885 1.00 0.00 H new ATOM 77 N CYS A 6 -0.831 7.498 -0.942 1.00 0.00 N ATOM 78 CA CYS A 6 -0.697 6.853 -2.257 1.00 0.00 C ATOM 79 C CYS A 6 -1.727 7.369 -3.255 1.00 0.00 C ATOM 80 O CYS A 6 -1.485 8.372 -3.925 1.00 0.00 O ATOM 81 CB CYS A 6 -0.746 5.322 -2.118 1.00 0.00 C ATOM 82 SG CYS A 6 0.896 4.518 -2.037 1.00 0.00 S ATOM 0 H CYS A 6 -0.835 6.852 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 6 0.280 7.120 -2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.306 5.069 -1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.298 4.910 -2.963 1.00 0.00 H new ATOM 87 N CYS A 7 -2.862 6.695 -3.371 1.00 0.00 N ATOM 88 CA CYS A 7 -3.892 7.114 -4.313 1.00 0.00 C ATOM 89 C CYS A 7 -4.108 8.626 -4.241 1.00 0.00 C ATOM 90 O CYS A 7 -4.458 9.272 -5.230 1.00 0.00 O ATOM 91 CB CYS A 7 -5.202 6.379 -4.037 1.00 0.00 C ATOM 92 SG CYS A 7 -5.794 5.341 -5.415 1.00 0.00 S ATOM 0 H CYS A 7 -3.093 5.862 -2.830 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.556 6.861 -5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.072 5.751 -3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.971 7.113 -3.795 1.00 0.00 H new ATOM 97 N THR A 8 -3.892 9.167 -3.051 1.00 0.00 N ATOM 98 CA THR A 8 -4.045 10.588 -2.782 1.00 0.00 C ATOM 99 C THR A 8 -2.795 11.377 -3.210 1.00 0.00 C ATOM 100 O THR A 8 -2.668 11.760 -4.372 1.00 0.00 O ATOM 101 CB THR A 8 -4.311 10.732 -1.291 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.218 10.239 -0.569 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.541 9.978 -0.843 1.00 0.00 C ATOM 0 H THR A 8 -3.602 8.625 -2.237 1.00 0.00 H new ATOM 0 HA THR A 8 -4.873 11.000 -3.358 1.00 0.00 H new ATOM 0 HB THR A 8 -4.470 11.794 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.428 10.247 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.682 10.116 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.414 10.356 -1.376 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.416 8.917 -1.059 1.00 0.00 H new ATOM 111 N SER A 9 -1.871 11.613 -2.271 1.00 0.00 N ATOM 112 CA SER A 9 -0.638 12.348 -2.565 1.00 0.00 C ATOM 113 C SER A 9 0.550 11.382 -2.736 1.00 0.00 C ATOM 114 O SER A 9 0.486 10.465 -3.553 1.00 0.00 O ATOM 115 CB SER A 9 -0.363 13.369 -1.457 1.00 0.00 C ATOM 116 OG SER A 9 -1.450 14.266 -1.308 1.00 0.00 O ATOM 0 H SER A 9 -1.955 11.305 -1.302 1.00 0.00 H new ATOM 0 HA SER A 9 -0.764 12.883 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.185 12.849 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.544 13.927 -1.690 1.00 0.00 H new ATOM 0 HG SER A 9 -1.250 14.906 -0.594 1.00 0.00 H new ATOM 122 N ILE A 10 1.630 11.577 -1.970 1.00 0.00 N ATOM 123 CA ILE A 10 2.802 10.701 -2.069 1.00 0.00 C ATOM 124 C ILE A 10 2.868 9.725 -0.898 1.00 0.00 C ATOM 125 O ILE A 10 2.845 10.134 0.262 1.00 0.00 O ATOM 126 CB ILE A 10 4.117 11.505 -2.110 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.922 12.835 -2.845 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.208 10.681 -2.773 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.478 12.675 -4.283 1.00 0.00 C ATOM 0 H ILE A 10 1.716 12.325 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 10 2.690 10.148 -3.002 1.00 0.00 H new ATOM 0 HB ILE A 10 4.418 11.730 -1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.183 13.431 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.858 13.393 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.134 11.256 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.366 9.763 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.908 10.432 -3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.361 13.658 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.227 12.107 -4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.526 12.145 -4.313 1.00 0.00 H new ATOM 141 N CYS A 11 2.951 8.429 -1.205 1.00 0.00 N ATOM 142 CA CYS A 11 3.013 7.404 -0.162 1.00 0.00 C ATOM 143 C CYS A 11 4.149 6.413 -0.415 1.00 0.00 C ATOM 144 O CYS A 11 4.659 6.305 -1.529 1.00 0.00 O ATOM 145 CB CYS A 11 1.649 6.706 -0.055 1.00 0.00 C ATOM 146 SG CYS A 11 1.636 4.886 -0.179 1.00 0.00 S ATOM 0 H CYS A 11 2.977 8.067 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 11 3.234 7.880 0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.201 6.983 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.003 7.103 -0.838 1.00 0.00 H new ATOM 151 N SER A 12 4.554 5.714 0.643 1.00 0.00 N ATOM 152 CA SER A 12 5.649 4.752 0.560 1.00 0.00 C ATOM 153 C SER A 12 5.166 3.347 0.205 1.00 0.00 C ATOM 154 O SER A 12 4.027 2.959 0.486 1.00 0.00 O ATOM 155 CB SER A 12 6.415 4.715 1.885 1.00 0.00 C ATOM 156 OG SER A 12 7.718 4.187 1.706 1.00 0.00 O ATOM 0 H SER A 12 4.138 5.797 1.571 1.00 0.00 H new ATOM 0 HA SER A 12 6.307 5.084 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.481 5.721 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.869 4.108 2.607 1.00 0.00 H new ATOM 0 HG SER A 12 8.187 4.175 2.566 1.00 0.00 H new ATOM 162 N LEU A 13 6.061 2.584 -0.411 1.00 0.00 N ATOM 163 CA LEU A 13 5.764 1.217 -0.809 1.00 0.00 C ATOM 164 C LEU A 13 5.504 0.343 0.410 1.00 0.00 C ATOM 165 O LEU A 13 4.844 -0.692 0.313 1.00 0.00 O ATOM 166 CB LEU A 13 6.918 0.647 -1.633 1.00 0.00 C ATOM 167 CG LEU A 13 7.004 1.172 -3.068 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.919 0.547 -3.933 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.891 2.688 -3.087 1.00 0.00 C ATOM 0 H LEU A 13 7.004 2.893 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 13 4.862 1.225 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.855 0.870 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.823 -0.438 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 13 7.974 0.892 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.997 0.933 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.042 -0.536 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.940 0.796 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.954 3.045 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.935 2.987 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.703 3.121 -2.502 1.00 0.00 H new ATOM 181 N TYR A 14 6.012 0.771 1.564 1.00 0.00 N ATOM 182 CA TYR A 14 5.810 0.030 2.800 1.00 0.00 C ATOM 183 C TYR A 14 4.320 -0.172 3.031 1.00 0.00 C ATOM 184 O TYR A 14 3.874 -1.255 3.411 1.00 0.00 O ATOM 185 CB TYR A 14 6.437 0.779 3.981 1.00 0.00 C ATOM 186 CG TYR A 14 6.077 0.201 5.332 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.242 -1.153 5.595 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.571 1.009 6.342 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.912 -1.686 6.826 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.238 0.484 7.576 1.00 0.00 C ATOM 191 CZ TYR A 14 5.411 -0.863 7.813 1.00 0.00 C ATOM 192 OH TYR A 14 5.080 -1.390 9.040 1.00 0.00 O ATOM 0 H TYR A 14 6.563 1.623 1.666 1.00 0.00 H new ATOM 0 HA TYR A 14 6.295 -0.943 2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.521 0.770 3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.121 1.822 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.635 -1.800 4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.436 2.065 6.160 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.046 -2.741 7.014 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.844 1.125 8.351 1.00 0.00 H new ATOM 0 HH TYR A 14 4.743 -0.677 9.622 1.00 0.00 H new ATOM 202 N GLN A 15 3.556 0.883 2.772 1.00 0.00 N ATOM 203 CA GLN A 15 2.111 0.836 2.922 1.00 0.00 C ATOM 204 C GLN A 15 1.524 -0.187 1.961 1.00 0.00 C ATOM 205 O GLN A 15 0.655 -0.975 2.333 1.00 0.00 O ATOM 206 CB GLN A 15 1.509 2.217 2.660 1.00 0.00 C ATOM 207 CG GLN A 15 2.052 3.296 3.582 1.00 0.00 C ATOM 208 CD GLN A 15 1.519 4.676 3.248 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.277 5.642 3.160 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.208 4.776 3.060 1.00 0.00 N ATOM 0 H GLN A 15 3.917 1.783 2.456 1.00 0.00 H new ATOM 0 HA GLN A 15 1.869 0.540 3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.705 2.501 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.427 2.161 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.794 3.051 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.140 3.307 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.384 3.949 3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.207 5.680 2.833 1.00 0.00 H new ATOM 219 N LEU A 16 2.021 -0.185 0.725 1.00 0.00 N ATOM 220 CA LEU A 16 1.548 -1.136 -0.279 1.00 0.00 C ATOM 221 C LEU A 16 1.904 -2.557 0.134 1.00 0.00 C ATOM 222 O LEU A 16 1.109 -3.482 -0.028 1.00 0.00 O ATOM 223 CB LEU A 16 2.157 -0.837 -1.653 1.00 0.00 C ATOM 224 CG LEU A 16 1.653 0.432 -2.348 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.142 0.427 -2.498 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.090 1.661 -1.587 1.00 0.00 C ATOM 0 H LEU A 16 2.743 0.457 0.397 1.00 0.00 H new ATOM 0 HA LEU A 16 0.465 -1.036 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.239 -0.761 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.964 -1.687 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 16 2.091 0.453 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.177 1.343 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.162 -0.434 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.321 0.368 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.723 2.553 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.684 1.626 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.179 1.692 -1.540 1.00 0.00 H new ATOM 238 N GLU A 17 3.104 -2.722 0.676 1.00 0.00 N ATOM 239 CA GLU A 17 3.562 -4.032 1.122 1.00 0.00 C ATOM 240 C GLU A 17 2.594 -4.610 2.149 1.00 0.00 C ATOM 241 O GLU A 17 2.418 -5.825 2.239 1.00 0.00 O ATOM 242 CB GLU A 17 4.966 -3.929 1.723 1.00 0.00 C ATOM 243 CG GLU A 17 5.973 -3.258 0.804 1.00 0.00 C ATOM 244 CD GLU A 17 7.156 -4.150 0.482 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.466 -5.042 1.300 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.774 -3.956 -0.586 1.00 0.00 O ATOM 0 H GLU A 17 3.776 -1.968 0.817 1.00 0.00 H new ATOM 0 HA GLU A 17 3.598 -4.698 0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.912 -3.371 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.321 -4.930 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.477 -2.970 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.331 -2.341 1.272 1.00 0.00 H new ATOM 253 N ASN A 18 1.963 -3.725 2.915 1.00 0.00 N ATOM 254 CA ASN A 18 1.004 -4.137 3.930 1.00 0.00 C ATOM 255 C ASN A 18 -0.341 -4.473 3.297 1.00 0.00 C ATOM 256 O ASN A 18 -1.090 -5.305 3.807 1.00 0.00 O ATOM 257 CB ASN A 18 0.826 -3.030 4.972 1.00 0.00 C ATOM 258 CG ASN A 18 0.066 -3.505 6.194 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.097 -3.153 6.393 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.722 -4.310 7.022 1.00 0.00 N ATOM 0 H ASN A 18 2.100 -2.716 2.850 1.00 0.00 H new ATOM 0 HA ASN A 18 1.391 -5.030 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.805 -2.661 5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.296 -2.192 4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.263 -4.662 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.685 -4.576 6.818 1.00 0.00 H new ATOM 267 N TYR A 19 -0.643 -3.817 2.178 1.00 0.00 N ATOM 268 CA TYR A 19 -1.898 -4.043 1.472 1.00 0.00 C ATOM 269 C TYR A 19 -2.073 -5.518 1.118 1.00 0.00 C ATOM 270 O TYR A 19 -3.193 -5.986 0.911 1.00 0.00 O ATOM 271 CB TYR A 19 -1.958 -3.180 0.210 1.00 0.00 C ATOM 272 CG TYR A 19 -2.816 -1.950 0.375 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.399 -0.892 1.172 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.050 -1.850 -0.253 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.186 0.230 1.338 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.844 -0.734 -0.088 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.410 0.301 0.706 1.00 0.00 C ATOM 278 OH TYR A 19 -5.207 1.407 0.877 1.00 0.00 O ATOM 0 H TYR A 19 -0.034 -3.125 1.742 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.716 -3.758 2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.948 -2.877 -0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.346 -3.779 -0.614 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.443 -0.948 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.394 -2.659 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.846 1.046 1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.803 -0.674 -0.581 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.034 1.297 0.362 1.00 0.00 H new ATOM 288 N CYS A 20 -0.961 -6.249 1.056 1.00 0.00 N ATOM 289 CA CYS A 20 -0.992 -7.676 0.735 1.00 0.00 C ATOM 290 C CYS A 20 -2.088 -8.395 1.523 1.00 0.00 C ATOM 291 O CYS A 20 -2.316 -8.098 2.696 1.00 0.00 O ATOM 292 CB CYS A 20 0.362 -8.317 1.043 1.00 0.00 C ATOM 293 SG CYS A 20 1.718 -7.751 -0.032 1.00 0.00 S ATOM 0 H CYS A 20 -0.026 -5.877 1.224 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.208 -7.774 -0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.623 -8.106 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.268 -9.399 0.951 1.00 0.00 H new ATOM 298 N ASN A 21 -2.760 -9.340 0.874 1.00 0.00 N ATOM 299 CA ASN A 21 -3.828 -10.095 1.520 1.00 0.00 C ATOM 300 C ASN A 21 -4.363 -11.183 0.592 1.00 0.00 C ATOM 301 O ASN A 21 -5.359 -10.985 -0.103 1.00 0.00 O ATOM 302 CB ASN A 21 -4.964 -9.159 1.937 1.00 0.00 C ATOM 303 CG ASN A 21 -5.483 -9.462 3.328 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.529 -8.586 4.192 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.880 -10.709 3.554 1.00 0.00 N ATOM 0 H ASN A 21 -2.585 -9.601 -0.096 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.416 -10.571 2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.613 -8.128 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.782 -9.243 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.240 -10.971 4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.825 -11.404 2.810 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 12.968 4.174 -9.339 1.00 0.00 N ATOM 314 CA PHE B 1 11.878 3.358 -8.820 1.00 0.00 C ATOM 315 C PHE B 1 10.577 4.166 -8.750 1.00 0.00 C ATOM 316 O PHE B 1 9.909 4.353 -9.768 1.00 0.00 O ATOM 317 CB PHE B 1 12.249 2.787 -7.448 1.00 0.00 C ATOM 318 CG PHE B 1 11.181 1.921 -6.839 1.00 0.00 C ATOM 319 CD1 PHE B 1 10.370 1.124 -7.634 1.00 0.00 C ATOM 320 CD2 PHE B 1 10.996 1.901 -5.467 1.00 0.00 C ATOM 321 CE1 PHE B 1 9.394 0.325 -7.067 1.00 0.00 C ATOM 322 CE2 PHE B 1 10.025 1.104 -4.897 1.00 0.00 C ATOM 323 CZ PHE B 1 9.222 0.315 -5.697 1.00 0.00 C ATOM 0 H1 PHE B 1 13.839 3.606 -9.378 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.728 4.506 -10.295 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.116 4.993 -8.715 1.00 0.00 H new ATOM 0 HA PHE B 1 11.713 2.525 -9.503 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.165 2.204 -7.544 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.466 3.612 -6.769 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.502 1.128 -8.706 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.619 2.517 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.767 -0.290 -7.695 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.893 1.097 -3.825 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.461 -0.309 -5.252 1.00 0.00 H new ATOM 333 N VAL B 2 10.213 4.642 -7.557 1.00 0.00 N ATOM 334 CA VAL B 2 8.997 5.416 -7.388 1.00 0.00 C ATOM 335 C VAL B 2 9.035 6.242 -6.101 1.00 0.00 C ATOM 336 O VAL B 2 9.752 5.908 -5.157 1.00 0.00 O ATOM 337 CB VAL B 2 7.769 4.501 -7.370 1.00 0.00 C ATOM 338 CG1 VAL B 2 7.966 3.391 -6.364 1.00 0.00 C ATOM 339 CG2 VAL B 2 6.515 5.294 -7.064 1.00 0.00 C ATOM 0 H VAL B 2 10.747 4.501 -6.699 1.00 0.00 H new ATOM 0 HA VAL B 2 8.927 6.097 -8.237 1.00 0.00 H new ATOM 0 HB VAL B 2 7.649 4.055 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.088 2.745 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.845 2.806 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.108 3.820 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL B 2 5.654 4.625 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.614 5.769 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.373 6.059 -7.827 1.00 0.00 H new ATOM 349 N ASN B 3 8.253 7.318 -6.077 1.00 0.00 N ATOM 350 CA ASN B 3 8.180 8.201 -4.915 1.00 0.00 C ATOM 351 C ASN B 3 7.302 9.410 -5.231 1.00 0.00 C ATOM 352 O ASN B 3 7.759 10.553 -5.206 1.00 0.00 O ATOM 353 CB ASN B 3 9.583 8.656 -4.497 1.00 0.00 C ATOM 354 CG ASN B 3 10.101 7.894 -3.293 1.00 0.00 C ATOM 355 OD1 ASN B 3 9.460 7.856 -2.243 1.00 0.00 O ATOM 356 ND2 ASN B 3 11.272 7.284 -3.439 1.00 0.00 N ATOM 0 H ASN B 3 7.657 7.601 -6.855 1.00 0.00 H new ATOM 0 HA ASN B 3 7.736 7.650 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.270 8.521 -5.332 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.564 9.722 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.673 6.758 -2.663 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.770 7.342 -4.327 1.00 0.00 H new ATOM 363 N GLN B 4 6.040 9.142 -5.549 1.00 0.00 N ATOM 364 CA GLN B 4 5.093 10.192 -5.893 1.00 0.00 C ATOM 365 C GLN B 4 3.653 9.695 -5.722 1.00 0.00 C ATOM 366 O GLN B 4 3.365 8.913 -4.811 1.00 0.00 O ATOM 367 CB GLN B 4 5.346 10.629 -7.338 1.00 0.00 C ATOM 368 CG GLN B 4 4.979 9.563 -8.362 1.00 0.00 C ATOM 369 CD GLN B 4 5.800 9.669 -9.633 1.00 0.00 C ATOM 370 OE1 GLN B 4 5.254 9.734 -10.734 1.00 0.00 O ATOM 371 NE2 GLN B 4 7.120 9.684 -9.486 1.00 0.00 N ATOM 0 H GLN B 4 5.649 8.200 -5.575 1.00 0.00 H new ATOM 0 HA GLN B 4 5.231 11.043 -5.226 1.00 0.00 H new ATOM 0 HB2 GLN B 4 4.772 11.533 -7.543 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.399 10.887 -7.453 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.123 8.576 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN B 4 3.921 9.650 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.530 9.628 -8.554 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.724 9.752 -10.305 1.00 0.00 H new ATOM 380 N HIS B 5 2.755 10.139 -6.607 1.00 0.00 N ATOM 381 CA HIS B 5 1.362 9.718 -6.554 1.00 0.00 C ATOM 382 C HIS B 5 1.273 8.216 -6.782 1.00 0.00 C ATOM 383 O HIS B 5 1.904 7.680 -7.693 1.00 0.00 O ATOM 384 CB HIS B 5 0.540 10.459 -7.608 1.00 0.00 C ATOM 385 CG HIS B 5 0.205 11.866 -7.222 1.00 0.00 C ATOM 386 ND1 HIS B 5 -0.033 12.421 -6.009 1.00 0.00 N flip ATOM 387 CD2 HIS B 5 0.080 12.889 -8.138 1.00 0.00 C flip ATOM 388 CE1 HIS B 5 -0.294 13.752 -6.214 1.00 0.00 C flip ATOM 389 NE2 HIS B 5 -0.221 14.011 -7.506 1.00 0.00 N flip ATOM 0 H HIS B 5 2.972 10.787 -7.364 1.00 0.00 H new ATOM 0 HA HIS B 5 0.957 9.957 -5.571 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.093 10.470 -8.547 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.384 9.910 -7.789 1.00 0.00 H new ATOM 0 HD2 HIS B 5 0.208 12.789 -9.206 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.522 14.472 -5.442 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -0.371 14.921 -7.942 1.00 0.00 H new ATOM 398 N LEU B 6 0.509 7.537 -5.940 1.00 0.00 N ATOM 399 CA LEU B 6 0.366 6.092 -6.039 1.00 0.00 C ATOM 400 C LEU B 6 -1.101 5.678 -6.011 1.00 0.00 C ATOM 401 O LEU B 6 -1.633 5.296 -4.975 1.00 0.00 O ATOM 402 CB LEU B 6 1.112 5.444 -4.882 1.00 0.00 C ATOM 403 CG LEU B 6 2.523 4.952 -5.191 1.00 0.00 C ATOM 404 CD1 LEU B 6 2.455 3.601 -5.860 1.00 0.00 C ATOM 405 CD2 LEU B 6 3.274 5.947 -6.062 1.00 0.00 C ATOM 0 H LEU B 6 -0.022 7.963 -5.180 1.00 0.00 H new ATOM 0 HA LEU B 6 0.785 5.761 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.169 6.162 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.524 4.599 -4.523 1.00 0.00 H new ATOM 0 HG LEU B 6 3.071 4.858 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.464 3.252 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.962 2.891 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.890 3.683 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.276 5.569 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.740 6.083 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.345 6.903 -5.544 1.00 0.00 H new ATOM 417 N CYS B 7 -1.749 5.774 -7.156 1.00 0.00 N ATOM 418 CA CYS B 7 -3.157 5.439 -7.272 1.00 0.00 C ATOM 419 C CYS B 7 -3.425 4.536 -8.476 1.00 0.00 C ATOM 420 O CYS B 7 -2.596 4.419 -9.375 1.00 0.00 O ATOM 421 CB CYS B 7 -3.954 6.735 -7.393 1.00 0.00 C ATOM 422 SG CYS B 7 -5.733 6.572 -7.030 1.00 0.00 S ATOM 0 H CYS B 7 -1.319 6.084 -8.027 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.464 4.887 -6.384 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.525 7.474 -6.716 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.838 7.124 -8.405 1.00 0.00 H new HETATM 427 N DSN B 8 -4.602 3.910 -8.489 1.00 0.00 N HETATM 428 CA DSN B 8 -5.005 3.027 -9.579 1.00 0.00 C HETATM 429 C DSN B 8 -3.850 2.118 -10.029 1.00 0.00 C HETATM 430 O DSN B 8 -3.089 1.623 -9.200 1.00 0.00 O HETATM 431 CB DSN B 8 -6.114 2.074 -9.068 1.00 0.00 C HETATM 432 OG DSN B 8 -6.559 1.151 -10.069 1.00 0.00 O HETATM 0 HG DSN B 8 -7.256 0.573 -9.694 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -5.741 1.518 -8.208 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -6.963 2.664 -8.722 1.00 0.00 H new HETATM 0 HA DSN B 8 -5.333 3.660 -10.404 1.00 0.00 H new HETATM 0 H2 DSN B 8 -5.272 4.568 -8.092 1.00 0.00 H new ATOM 438 N SER B 9 -3.724 1.897 -11.341 1.00 0.00 N ATOM 439 CA SER B 9 -2.671 1.044 -11.895 1.00 0.00 C ATOM 440 C SER B 9 -1.258 1.520 -11.524 1.00 0.00 C ATOM 441 O SER B 9 -0.269 0.968 -12.006 1.00 0.00 O ATOM 442 CB SER B 9 -2.803 0.984 -13.418 1.00 0.00 C ATOM 443 OG SER B 9 -1.643 0.428 -14.012 1.00 0.00 O ATOM 0 H SER B 9 -4.344 2.301 -12.043 1.00 0.00 H new ATOM 0 HA SER B 9 -2.803 0.054 -11.459 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.674 0.387 -13.687 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.971 1.987 -13.811 1.00 0.00 H new ATOM 0 HG SER B 9 -1.034 0.115 -13.311 1.00 0.00 H new ATOM 449 N ASP B 10 -1.161 2.527 -10.657 1.00 0.00 N ATOM 450 CA ASP B 10 0.132 3.044 -10.219 1.00 0.00 C ATOM 451 C ASP B 10 0.564 2.309 -8.965 1.00 0.00 C ATOM 452 O ASP B 10 1.596 1.638 -8.945 1.00 0.00 O ATOM 453 CB ASP B 10 0.062 4.551 -9.959 1.00 0.00 C ATOM 454 CG ASP B 10 -0.660 5.297 -11.064 1.00 0.00 C ATOM 455 OD1 ASP B 10 -0.418 4.985 -12.248 1.00 0.00 O ATOM 456 OD2 ASP B 10 -1.470 6.193 -10.744 1.00 0.00 O ATOM 0 H ASP B 10 -1.964 3.001 -10.244 1.00 0.00 H new ATOM 0 HA ASP B 10 0.865 2.879 -11.009 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.447 4.730 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.073 4.947 -9.858 1.00 0.00 H new ATOM 461 N LEU B 11 -0.268 2.399 -7.934 1.00 0.00 N ATOM 462 CA LEU B 11 -0.011 1.698 -6.695 1.00 0.00 C ATOM 463 C LEU B 11 -0.150 0.218 -6.967 1.00 0.00 C ATOM 464 O LEU B 11 0.479 -0.617 -6.322 1.00 0.00 O ATOM 465 CB LEU B 11 -0.987 2.158 -5.610 1.00 0.00 C ATOM 466 CG LEU B 11 -2.020 1.127 -5.161 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.414 1.377 -3.724 1.00 0.00 C ATOM 468 CD2 LEU B 11 -3.236 1.171 -6.065 1.00 0.00 C ATOM 0 H LEU B 11 -1.125 2.952 -7.938 1.00 0.00 H new ATOM 0 HA LEU B 11 0.994 1.913 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.411 2.470 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.516 3.039 -5.974 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.578 0.133 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.151 0.636 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.533 1.301 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.843 2.375 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.964 0.431 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.684 2.164 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.936 0.950 -7.089 1.00 0.00 H new ATOM 480 N VAL B 12 -0.979 -0.079 -7.956 1.00 0.00 N ATOM 481 CA VAL B 12 -1.220 -1.437 -8.369 1.00 0.00 C ATOM 482 C VAL B 12 0.079 -2.078 -8.817 1.00 0.00 C ATOM 483 O VAL B 12 0.426 -3.172 -8.372 1.00 0.00 O ATOM 484 CB VAL B 12 -2.263 -1.467 -9.496 1.00 0.00 C ATOM 485 CG1 VAL B 12 -2.386 -2.847 -10.089 1.00 0.00 C ATOM 486 CG2 VAL B 12 -3.608 -0.987 -8.984 1.00 0.00 C ATOM 0 H VAL B 12 -1.499 0.619 -8.489 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.612 -2.006 -7.526 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.927 -0.793 -10.284 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.132 -2.836 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.424 -3.154 -10.498 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.692 -3.550 -9.314 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.337 -1.014 -9.794 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.942 -1.636 -8.174 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.513 0.034 -8.615 1.00 0.00 H new ATOM 496 N GLU B 13 0.822 -1.370 -9.664 1.00 0.00 N ATOM 497 CA GLU B 13 2.116 -1.861 -10.119 1.00 0.00 C ATOM 498 C GLU B 13 2.894 -2.310 -8.893 1.00 0.00 C ATOM 499 O GLU B 13 3.172 -3.493 -8.715 1.00 0.00 O ATOM 500 CB GLU B 13 2.883 -0.767 -10.864 1.00 0.00 C ATOM 501 CG GLU B 13 2.497 -0.641 -12.329 1.00 0.00 C ATOM 502 CD GLU B 13 2.749 -1.914 -13.112 1.00 0.00 C ATOM 503 OE1 GLU B 13 1.925 -2.848 -13.007 1.00 0.00 O ATOM 504 OE2 GLU B 13 3.769 -1.978 -13.829 1.00 0.00 O ATOM 0 H GLU B 13 0.552 -0.463 -10.045 1.00 0.00 H new ATOM 0 HA GLU B 13 1.979 -2.691 -10.812 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.710 0.188 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.951 -0.973 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.442 -0.378 -12.401 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.061 0.176 -12.780 1.00 0.00 H new ATOM 511 N ALA B 14 3.178 -1.354 -8.014 1.00 0.00 N ATOM 512 CA ALA B 14 3.855 -1.641 -6.763 1.00 0.00 C ATOM 513 C ALA B 14 3.156 -2.806 -6.073 1.00 0.00 C ATOM 514 O ALA B 14 3.703 -3.884 -5.977 1.00 0.00 O ATOM 515 CB ALA B 14 3.865 -0.411 -5.869 1.00 0.00 C ATOM 0 H ALA B 14 2.947 -0.370 -8.150 1.00 0.00 H new ATOM 0 HA ALA B 14 4.891 -1.914 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.377 -0.644 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.386 0.402 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.840 -0.108 -5.655 1.00 0.00 H new ATOM 521 N LEU B 15 1.934 -2.598 -5.612 1.00 0.00 N ATOM 522 CA LEU B 15 1.180 -3.659 -4.946 1.00 0.00 C ATOM 523 C LEU B 15 1.442 -5.025 -5.583 1.00 0.00 C ATOM 524 O LEU B 15 1.517 -6.034 -4.888 1.00 0.00 O ATOM 525 CB LEU B 15 -0.311 -3.359 -5.014 1.00 0.00 C ATOM 526 CG LEU B 15 -1.016 -3.453 -3.675 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.739 -4.791 -3.028 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.553 -2.332 -2.777 1.00 0.00 C ATOM 0 H LEU B 15 1.440 -1.709 -5.684 1.00 0.00 H new ATOM 0 HA LEU B 15 1.511 -3.693 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.452 -2.357 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.780 -4.053 -5.711 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.091 -3.363 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.252 -4.844 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.099 -5.590 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.334 -4.905 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.062 -2.402 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.524 -2.409 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.786 -1.374 -3.241 1.00 0.00 H new ATOM 540 N TYR B 16 1.605 -5.050 -6.898 1.00 0.00 N ATOM 541 CA TYR B 16 1.888 -6.298 -7.599 1.00 0.00 C ATOM 542 C TYR B 16 3.380 -6.597 -7.554 1.00 0.00 C ATOM 543 O TYR B 16 3.803 -7.750 -7.459 1.00 0.00 O ATOM 544 CB TYR B 16 1.418 -6.204 -9.045 1.00 0.00 C ATOM 545 CG TYR B 16 -0.032 -6.557 -9.201 1.00 0.00 C ATOM 546 CD1 TYR B 16 -0.509 -7.777 -8.757 1.00 0.00 C ATOM 547 CD2 TYR B 16 -0.921 -5.668 -9.781 1.00 0.00 C ATOM 548 CE1 TYR B 16 -1.842 -8.112 -8.888 1.00 0.00 C ATOM 549 CE2 TYR B 16 -2.258 -5.989 -9.917 1.00 0.00 C ATOM 550 CZ TYR B 16 -2.715 -7.213 -9.469 1.00 0.00 C ATOM 551 OH TYR B 16 -4.044 -7.539 -9.603 1.00 0.00 O ATOM 0 H TYR B 16 1.547 -4.228 -7.499 1.00 0.00 H new ATOM 0 HA TYR B 16 1.351 -7.108 -7.105 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.584 -5.191 -9.413 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.020 -6.870 -9.663 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.173 -8.479 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.565 -4.711 -10.132 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.199 -9.070 -8.539 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.942 -5.287 -10.371 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.521 -6.797 -10.030 1.00 0.00 H new ATOM 561 N LEU B 17 4.162 -5.533 -7.610 1.00 0.00 N ATOM 562 CA LEU B 17 5.611 -5.609 -7.565 1.00 0.00 C ATOM 563 C LEU B 17 6.077 -5.730 -6.114 1.00 0.00 C ATOM 564 O LEU B 17 6.811 -6.648 -5.745 1.00 0.00 O ATOM 565 CB LEU B 17 6.178 -4.331 -8.178 1.00 0.00 C ATOM 566 CG LEU B 17 6.308 -4.304 -9.704 1.00 0.00 C ATOM 567 CD1 LEU B 17 4.965 -4.563 -10.373 1.00 0.00 C ATOM 568 CD2 LEU B 17 6.858 -2.958 -10.152 1.00 0.00 C ATOM 0 H LEU B 17 3.804 -4.581 -7.689 1.00 0.00 H new ATOM 0 HA LEU B 17 5.957 -6.481 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.545 -3.497 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.164 -4.155 -7.748 1.00 0.00 H new ATOM 0 HG LEU B 17 6.996 -5.096 -10.002 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.087 -4.538 -11.456 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.592 -5.542 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.254 -3.795 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.948 -2.945 -11.238 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.181 -2.165 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.839 -2.799 -9.705 1.00 0.00 H new ATOM 580 N VAL B 18 5.611 -4.784 -5.309 1.00 0.00 N ATOM 581 CA VAL B 18 5.902 -4.704 -3.894 1.00 0.00 C ATOM 582 C VAL B 18 5.544 -6.009 -3.186 1.00 0.00 C ATOM 583 O VAL B 18 6.374 -6.599 -2.495 1.00 0.00 O ATOM 584 CB VAL B 18 5.110 -3.510 -3.294 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.227 -3.915 -2.124 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.046 -2.384 -2.908 1.00 0.00 C ATOM 0 H VAL B 18 5.004 -4.033 -5.637 1.00 0.00 H new ATOM 0 HA VAL B 18 6.970 -4.545 -3.749 1.00 0.00 H new ATOM 0 HB VAL B 18 4.439 -3.153 -4.076 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.699 -3.039 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.504 -4.660 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.845 -4.336 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.469 -1.559 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.759 -2.742 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.585 -2.040 -3.791 1.00 0.00 H new ATOM 596 N CYS B 19 4.303 -6.456 -3.366 1.00 0.00 N ATOM 597 CA CYS B 19 3.844 -7.692 -2.742 1.00 0.00 C ATOM 598 C CYS B 19 4.644 -8.885 -3.261 1.00 0.00 C ATOM 599 O CYS B 19 5.521 -9.399 -2.567 1.00 0.00 O ATOM 600 CB CYS B 19 2.347 -7.895 -2.988 1.00 0.00 C ATOM 601 SG CYS B 19 1.516 -8.884 -1.704 1.00 0.00 S ATOM 0 H CYS B 19 3.602 -5.983 -3.936 1.00 0.00 H new ATOM 0 HA CYS B 19 4.006 -7.615 -1.667 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.864 -6.920 -3.051 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.210 -8.382 -3.953 1.00 0.00 H new ATOM 606 N GLY B 20 4.347 -9.320 -4.483 1.00 0.00 N ATOM 607 CA GLY B 20 5.062 -10.441 -5.059 1.00 0.00 C ATOM 608 C GLY B 20 4.163 -11.355 -5.867 1.00 0.00 C ATOM 609 O GLY B 20 4.392 -11.565 -7.058 1.00 0.00 O ATOM 0 H GLY B 20 3.626 -8.916 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.862 -10.067 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.534 -11.015 -4.261 1.00 0.00 H new ATOM 613 N GLU B 21 3.140 -11.899 -5.215 1.00 0.00 N ATOM 614 CA GLU B 21 2.193 -12.804 -5.870 1.00 0.00 C ATOM 615 C GLU B 21 1.329 -13.528 -4.840 1.00 0.00 C ATOM 616 O GLU B 21 1.351 -14.757 -4.751 1.00 0.00 O ATOM 617 CB GLU B 21 2.934 -13.836 -6.730 1.00 0.00 C ATOM 618 CG GLU B 21 4.120 -14.477 -6.026 1.00 0.00 C ATOM 619 CD GLU B 21 5.437 -14.194 -6.721 1.00 0.00 C ATOM 620 OE1 GLU B 21 5.583 -14.587 -7.898 1.00 0.00 O ATOM 621 OE2 GLU B 21 6.323 -13.582 -6.088 1.00 0.00 O ATOM 0 H GLU B 21 2.943 -11.730 -4.229 1.00 0.00 H new ATOM 0 HA GLU B 21 1.550 -12.201 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.235 -14.617 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.282 -13.353 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.169 -14.111 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.966 -15.555 -5.973 1.00 0.00 H new ATOM 628 N ARG B 22 0.570 -12.765 -4.062 1.00 0.00 N ATOM 629 CA ARG B 22 -0.297 -13.346 -3.042 1.00 0.00 C ATOM 630 C ARG B 22 -1.698 -12.740 -3.092 1.00 0.00 C ATOM 631 O ARG B 22 -2.478 -12.891 -2.152 1.00 0.00 O ATOM 632 CB ARG B 22 0.308 -13.140 -1.652 1.00 0.00 C ATOM 633 CG ARG B 22 1.753 -13.602 -1.538 1.00 0.00 C ATOM 634 CD ARG B 22 1.881 -14.827 -0.647 1.00 0.00 C ATOM 635 NE ARG B 22 1.325 -14.595 0.684 1.00 0.00 N ATOM 636 CZ ARG B 22 1.436 -15.454 1.696 1.00 0.00 C ATOM 637 NH1 ARG B 22 2.083 -16.601 1.533 1.00 0.00 N ATOM 638 NH2 ARG B 22 0.900 -15.163 2.873 1.00 0.00 N ATOM 0 H ARG B 22 0.537 -11.747 -4.117 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.380 -14.414 -3.245 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.253 -12.082 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.295 -13.678 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.142 -13.831 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.363 -12.793 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.369 -15.669 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.932 -15.103 -0.558 1.00 0.00 H new ATOM 0 HE ARG B 22 0.822 -13.723 0.848 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.498 -16.828 0.630 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.165 -17.255 2.311 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.403 -14.282 3.003 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.985 -15.820 3.648 1.00 0.00 H new ATOM 652 N GLY B 23 -2.013 -12.055 -4.190 1.00 0.00 N ATOM 653 CA GLY B 23 -3.322 -11.439 -4.328 1.00 0.00 C ATOM 654 C GLY B 23 -3.613 -10.453 -3.215 1.00 0.00 C ATOM 655 O GLY B 23 -3.810 -10.845 -2.065 1.00 0.00 O ATOM 0 H GLY B 23 -1.387 -11.916 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.381 -10.927 -5.289 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.088 -12.215 -4.333 1.00 0.00 H new ATOM 659 N PHE B 24 -3.636 -9.168 -3.551 1.00 0.00 N ATOM 660 CA PHE B 24 -3.898 -8.133 -2.561 1.00 0.00 C ATOM 661 C PHE B 24 -5.375 -7.756 -2.526 1.00 0.00 C ATOM 662 O PHE B 24 -6.215 -8.448 -3.099 1.00 0.00 O ATOM 663 CB PHE B 24 -3.038 -6.899 -2.839 1.00 0.00 C ATOM 664 CG PHE B 24 -3.149 -6.376 -4.244 1.00 0.00 C ATOM 665 CD1 PHE B 24 -4.321 -5.792 -4.695 1.00 0.00 C ATOM 666 CD2 PHE B 24 -2.074 -6.470 -5.113 1.00 0.00 C ATOM 667 CE1 PHE B 24 -4.418 -5.315 -5.988 1.00 0.00 C ATOM 668 CE2 PHE B 24 -2.164 -5.993 -6.404 1.00 0.00 C ATOM 669 CZ PHE B 24 -3.336 -5.415 -6.844 1.00 0.00 C ATOM 0 H PHE B 24 -3.477 -8.820 -4.497 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.634 -8.533 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.322 -6.108 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.995 -7.143 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.167 -5.709 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.154 -6.923 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.338 -4.864 -6.330 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.317 -6.072 -7.070 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.409 -5.041 -7.855 1.00 0.00 H new ATOM 679 N PHE B 25 -5.678 -6.654 -1.844 1.00 0.00 N ATOM 680 CA PHE B 25 -7.032 -6.158 -1.709 1.00 0.00 C ATOM 681 C PHE B 25 -6.980 -4.691 -1.312 1.00 0.00 C ATOM 682 O PHE B 25 -6.539 -4.348 -0.215 1.00 0.00 O ATOM 683 CB PHE B 25 -7.802 -6.965 -0.653 1.00 0.00 C ATOM 684 CG PHE B 25 -8.790 -7.968 -1.205 1.00 0.00 C ATOM 685 CD1 PHE B 25 -8.859 -8.252 -2.564 1.00 0.00 C ATOM 686 CD2 PHE B 25 -9.652 -8.634 -0.348 1.00 0.00 C ATOM 687 CE1 PHE B 25 -9.765 -9.175 -3.049 1.00 0.00 C ATOM 688 CE2 PHE B 25 -10.559 -9.558 -0.829 1.00 0.00 C ATOM 689 CZ PHE B 25 -10.616 -9.830 -2.181 1.00 0.00 C ATOM 0 H PHE B 25 -4.981 -6.081 -1.369 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.552 -6.266 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.083 -7.494 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.337 -6.270 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.196 -7.745 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.614 -8.427 0.711 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.808 -9.384 -4.108 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.224 -10.068 -0.147 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.324 -10.553 -2.559 1.00 0.00 H new ATOM 699 N TYR B 26 -7.410 -3.833 -2.214 1.00 0.00 N ATOM 700 CA TYR B 26 -7.392 -2.396 -1.967 1.00 0.00 C ATOM 701 C TYR B 26 -8.549 -1.992 -1.064 1.00 0.00 C ATOM 702 O TYR B 26 -8.341 -1.376 -0.018 1.00 0.00 O ATOM 703 CB TYR B 26 -7.488 -1.622 -3.285 1.00 0.00 C ATOM 704 CG TYR B 26 -6.331 -1.865 -4.226 1.00 0.00 C ATOM 705 CD1 TYR B 26 -5.019 -1.688 -3.808 1.00 0.00 C ATOM 706 CD2 TYR B 26 -6.553 -2.270 -5.536 1.00 0.00 C ATOM 707 CE1 TYR B 26 -3.964 -1.909 -4.666 1.00 0.00 C ATOM 708 CE2 TYR B 26 -5.501 -2.496 -6.398 1.00 0.00 C ATOM 709 CZ TYR B 26 -4.212 -2.313 -5.958 1.00 0.00 C ATOM 710 OH TYR B 26 -3.166 -2.550 -6.809 1.00 0.00 O ATOM 0 H TYR B 26 -7.778 -4.101 -3.127 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.450 -2.154 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.416 -1.895 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.546 -0.556 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.822 -1.372 -2.794 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.566 -2.410 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.949 -1.766 -4.327 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.689 -2.815 -7.413 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.238 -3.458 -7.171 1.00 0.00 H new ATOM 720 N THR B 27 -9.760 -2.363 -1.455 1.00 0.00 N ATOM 721 CA THR B 27 -10.937 -2.068 -0.682 1.00 0.00 C ATOM 722 C THR B 27 -12.064 -2.985 -1.098 1.00 0.00 C ATOM 723 O THR B 27 -12.408 -3.099 -2.273 1.00 0.00 O ATOM 724 CB THR B 27 -11.372 -0.620 -0.825 1.00 0.00 C ATOM 725 OG1 THR B 27 -11.810 -0.351 -2.145 1.00 0.00 O ATOM 726 CG2 THR B 27 -10.287 0.378 -0.481 1.00 0.00 C ATOM 0 H THR B 27 -9.944 -2.876 -2.317 1.00 0.00 H new ATOM 0 HA THR B 27 -10.689 -2.232 0.367 1.00 0.00 H new ATOM 0 HB THR B 27 -12.185 -0.498 -0.110 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.158 -1.174 -2.548 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.671 1.390 -0.606 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.975 0.234 0.553 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.433 0.229 -1.142 1.00 0.00 H new ATOM 734 N LYS B 28 -12.617 -3.632 -0.109 1.00 0.00 N ATOM 735 CA LYS B 28 -13.717 -4.574 -0.299 1.00 0.00 C ATOM 736 C LYS B 28 -14.799 -3.988 -1.208 1.00 0.00 C ATOM 737 O LYS B 28 -15.352 -2.926 -0.919 1.00 0.00 O ATOM 738 CB LYS B 28 -14.325 -4.955 1.052 1.00 0.00 C ATOM 739 CG LYS B 28 -15.240 -6.168 0.986 1.00 0.00 C ATOM 740 CD LYS B 28 -15.150 -7.003 2.252 1.00 0.00 C ATOM 741 CE LYS B 28 -16.098 -6.491 3.324 1.00 0.00 C ATOM 742 NZ LYS B 28 -15.501 -6.588 4.685 1.00 0.00 N ATOM 0 H LYS B 28 -12.325 -3.529 0.863 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.314 -5.466 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.521 -5.155 1.760 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.888 -4.106 1.440 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.269 -5.841 0.837 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.972 -6.781 0.125 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.386 -8.042 2.022 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.128 -6.985 2.630 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.357 -5.453 3.114 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.025 -7.063 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.179 -6.229 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.277 -7.581 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.630 -6.021 4.723 1.00 0.00 H new ATOM 756 N PRO B 29 -15.120 -4.673 -2.320 1.00 0.00 N ATOM 757 CA PRO B 29 -16.143 -4.210 -3.262 1.00 0.00 C ATOM 758 C PRO B 29 -17.537 -4.222 -2.644 1.00 0.00 C ATOM 759 O PRO B 29 -17.997 -5.250 -2.149 1.00 0.00 O ATOM 760 CB PRO B 29 -16.060 -5.216 -4.414 1.00 0.00 C ATOM 761 CG PRO B 29 -15.458 -6.437 -3.811 1.00 0.00 C ATOM 762 CD PRO B 29 -14.518 -5.950 -2.746 1.00 0.00 C ATOM 0 HA PRO B 29 -15.973 -3.179 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -17.046 -5.425 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.446 -4.834 -5.229 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -16.227 -7.083 -3.387 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -14.928 -7.023 -4.562 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.446 -6.657 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.509 -5.810 -3.134 1.00 0.00 H new ATOM 770 N THR B 30 -18.203 -3.072 -2.673 1.00 0.00 N ATOM 771 CA THR B 30 -19.544 -2.948 -2.114 1.00 0.00 C ATOM 772 C THR B 30 -19.551 -3.311 -0.632 1.00 0.00 C ATOM 773 O THR B 30 -20.618 -3.180 0.003 1.00 0.00 O ATOM 774 CB THR B 30 -20.529 -3.841 -2.874 1.00 0.00 C ATOM 775 OG1 THR B 30 -20.437 -5.182 -2.429 1.00 0.00 O ATOM 776 CG2 THR B 30 -20.312 -3.838 -4.372 1.00 0.00 C ATOM 777 OXT THR B 30 -18.489 -3.724 -0.121 1.00 0.00 O ATOM 0 H THR B 30 -17.835 -2.211 -3.078 1.00 0.00 H new ATOM 0 HA THR B 30 -19.856 -1.909 -2.219 1.00 0.00 H new ATOM 0 HB THR B 30 -21.514 -3.422 -2.667 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.509 -5.488 -2.502 1.00 0.00 H new ATOM 0 HG21 THR B 30 -21.044 -4.491 -4.847 1.00 0.00 H new ATOM 0 HG22 THR B 30 -20.428 -2.824 -4.754 1.00 0.00 H new ATOM 0 HG23 THR B 30 -19.307 -4.197 -4.595 1.00 0.00 H new TER 785 THR B 30