USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 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 Set 1.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 TYR OH : rot -30:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0.395 K(o=0.39,f=-0.9) USER MOD Single : A 8 THR OG1 : rot 84:sc= 0.657 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 28:sc= 0.168 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.745 K(o=0.74,f=-5.2!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.132 X(o=0.13,f=-0.045) USER MOD Single : B 1 PHE N :NH3+ 158:sc= 0.298 (180deg=0.0855) USER MOD Single : B 3 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.099) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.71 K(o=0.71,f=-2.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.962 K(o=0.96,f=-2.9!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 100:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : B 29 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.07) USER MOD Single : B 30 THR OG1 : rot 34:sc= 0.0911 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.294 8.727 -0.740 1.00 0.00 N ATOM 2 CA GLY A 1 -4.333 8.199 -2.123 1.00 0.00 C ATOM 3 C GLY A 1 -3.037 8.476 -2.864 1.00 0.00 C ATOM 4 O GLY A 1 -2.669 9.631 -3.043 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.195 8.520 -0.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.515 8.277 -0.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.144 9.756 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.516 7.125 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.165 8.651 -2.662 1.00 0.00 H new ATOM 10 N ILE A 2 -2.321 7.433 -3.305 1.00 0.00 N ATOM 11 CA ILE A 2 -0.934 7.533 -3.834 1.00 0.00 C ATOM 12 C ILE A 2 -0.829 7.679 -5.358 1.00 0.00 C ATOM 13 O ILE A 2 0.281 7.713 -5.879 1.00 0.00 O ATOM 14 CB ILE A 2 -0.056 6.363 -3.319 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.570 4.979 -3.768 1.00 0.00 C ATOM 16 CG2 ILE A 2 0.055 6.485 -1.793 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.358 3.816 -3.389 1.00 0.00 C ATOM 0 H ILE A 2 -2.684 6.480 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.549 8.473 -3.439 1.00 0.00 H new ATOM 0 HB ILE A 2 0.936 6.439 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.551 4.806 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.704 4.986 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.669 5.672 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.514 7.440 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.940 6.431 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.073 2.878 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.333 3.963 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.473 3.780 -2.306 1.00 0.00 H new ATOM 29 N VAL A 3 -1.957 7.796 -6.063 1.00 0.00 N ATOM 30 CA VAL A 3 -2.025 7.871 -7.544 1.00 0.00 C ATOM 31 C VAL A 3 -1.142 8.991 -8.119 1.00 0.00 C ATOM 32 O VAL A 3 -0.419 8.762 -9.089 1.00 0.00 O ATOM 33 CB VAL A 3 -3.478 8.018 -8.064 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.572 8.093 -9.601 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.354 6.847 -7.596 1.00 0.00 C ATOM 0 H VAL A 3 -2.875 7.843 -5.620 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.634 6.918 -7.900 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.834 8.961 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.616 8.195 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.007 8.954 -9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.159 7.183 -10.036 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.368 6.977 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.942 5.911 -7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.375 6.821 -6.507 1.00 0.00 H new ATOM 45 N GLU A 4 -1.169 10.184 -7.510 1.00 0.00 N ATOM 46 CA GLU A 4 -0.277 11.282 -7.877 1.00 0.00 C ATOM 47 C GLU A 4 1.138 11.046 -7.322 1.00 0.00 C ATOM 48 O GLU A 4 2.115 11.234 -8.045 1.00 0.00 O ATOM 49 CB GLU A 4 -0.859 12.615 -7.372 1.00 0.00 C ATOM 50 CG GLU A 4 -0.057 13.825 -7.860 1.00 0.00 C ATOM 51 CD GLU A 4 -0.675 15.136 -7.371 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.713 15.568 -7.923 1.00 0.00 O ATOM 53 OE2 GLU A 4 -0.132 15.755 -6.426 1.00 0.00 O ATOM 0 H GLU A 4 -1.811 10.411 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.198 11.327 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.892 12.708 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.877 12.610 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.971 13.750 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.018 13.823 -8.949 1.00 0.00 H new ATOM 60 N GLN A 5 1.252 10.613 -6.061 1.00 0.00 N ATOM 61 CA GLN A 5 2.517 10.477 -5.334 1.00 0.00 C ATOM 62 C GLN A 5 3.482 9.513 -6.042 1.00 0.00 C ATOM 63 O GLN A 5 4.634 9.865 -6.276 1.00 0.00 O ATOM 64 CB GLN A 5 2.201 10.025 -3.890 1.00 0.00 C ATOM 65 CG GLN A 5 3.318 10.278 -2.861 1.00 0.00 C ATOM 66 CD GLN A 5 4.613 9.481 -3.052 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.709 10.027 -3.052 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.553 8.173 -3.195 1.00 0.00 N ATOM 0 H GLN A 5 0.443 10.340 -5.503 1.00 0.00 H new ATOM 0 HA GLN A 5 3.029 11.439 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.299 10.538 -3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.976 8.959 -3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.564 11.340 -2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.925 10.058 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.649 7.701 -3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.411 7.632 -3.303 1.00 0.00 H new ATOM 77 N CYS A 6 3.022 8.318 -6.425 1.00 0.00 N ATOM 78 CA CYS A 6 3.863 7.283 -7.047 1.00 0.00 C ATOM 79 C CYS A 6 4.217 7.579 -8.515 1.00 0.00 C ATOM 80 O CYS A 6 5.162 7.012 -9.068 1.00 0.00 O ATOM 81 CB CYS A 6 3.138 5.940 -6.923 1.00 0.00 C ATOM 82 SG CYS A 6 4.223 4.510 -7.158 1.00 0.00 S ATOM 0 H CYS A 6 2.048 8.037 -6.312 1.00 0.00 H new ATOM 0 HA CYS A 6 4.817 7.261 -6.520 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.674 5.876 -5.939 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.334 5.901 -7.658 1.00 0.00 H new ATOM 87 N CYS A 7 3.463 8.479 -9.151 1.00 0.00 N ATOM 88 CA CYS A 7 3.679 8.934 -10.529 1.00 0.00 C ATOM 89 C CYS A 7 4.608 10.161 -10.605 1.00 0.00 C ATOM 90 O CYS A 7 5.480 10.228 -11.474 1.00 0.00 O ATOM 91 CB CYS A 7 2.303 9.232 -11.140 1.00 0.00 C ATOM 92 SG CYS A 7 2.322 9.704 -12.890 1.00 0.00 S ATOM 0 H CYS A 7 2.660 8.926 -8.708 1.00 0.00 H new ATOM 0 HA CYS A 7 4.186 8.152 -11.094 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.673 8.350 -11.025 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.836 10.034 -10.569 1.00 0.00 H new ATOM 97 N THR A 8 4.423 11.112 -9.681 1.00 0.00 N ATOM 98 CA THR A 8 5.150 12.391 -9.574 1.00 0.00 C ATOM 99 C THR A 8 6.482 12.192 -8.859 1.00 0.00 C ATOM 100 O THR A 8 7.516 12.668 -9.327 1.00 0.00 O ATOM 101 CB THR A 8 4.268 13.403 -8.831 1.00 0.00 C ATOM 102 OG1 THR A 8 3.027 13.502 -9.493 1.00 0.00 O ATOM 103 CG2 THR A 8 4.848 14.811 -8.779 1.00 0.00 C ATOM 0 H THR A 8 3.724 11.008 -8.945 1.00 0.00 H new ATOM 0 HA THR A 8 5.370 12.774 -10.571 1.00 0.00 H new ATOM 0 HB THR A 8 4.184 13.031 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.433 12.787 -9.183 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.165 15.466 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.811 14.789 -8.269 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.983 15.187 -9.793 1.00 0.00 H new ATOM 111 N SER A 9 6.465 11.441 -7.764 1.00 0.00 N ATOM 112 CA SER A 9 7.637 10.878 -7.089 1.00 0.00 C ATOM 113 C SER A 9 7.652 9.351 -7.324 1.00 0.00 C ATOM 114 O SER A 9 7.503 8.908 -8.467 1.00 0.00 O ATOM 115 CB SER A 9 7.637 11.299 -5.607 1.00 0.00 C ATOM 116 OG SER A 9 7.782 12.706 -5.471 1.00 0.00 O ATOM 0 H SER A 9 5.593 11.194 -7.297 1.00 0.00 H new ATOM 0 HA SER A 9 8.568 11.268 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.707 10.980 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.449 10.795 -5.083 1.00 0.00 H new ATOM 0 HG SER A 9 7.777 12.945 -4.521 1.00 0.00 H new ATOM 122 N ILE A 10 7.852 8.531 -6.290 1.00 0.00 N ATOM 123 CA ILE A 10 8.010 7.067 -6.367 1.00 0.00 C ATOM 124 C ILE A 10 7.220 6.340 -5.269 1.00 0.00 C ATOM 125 O ILE A 10 6.883 6.929 -4.240 1.00 0.00 O ATOM 126 CB ILE A 10 9.507 6.672 -6.270 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.192 7.274 -5.017 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.249 7.060 -7.559 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.595 6.725 -4.740 1.00 0.00 C ATOM 0 H ILE A 10 7.912 8.878 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 10 7.610 6.759 -7.333 1.00 0.00 H new ATOM 0 HB ILE A 10 9.556 5.589 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.255 8.356 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.563 7.085 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.298 6.776 -7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.800 6.543 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.176 8.137 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.001 7.199 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.540 5.647 -4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.243 6.937 -5.590 1.00 0.00 H new ATOM 141 N CYS A 11 6.981 5.040 -5.449 1.00 0.00 N ATOM 142 CA CYS A 11 6.490 4.148 -4.390 1.00 0.00 C ATOM 143 C CYS A 11 6.956 2.699 -4.584 1.00 0.00 C ATOM 144 O CYS A 11 7.417 2.317 -5.661 1.00 0.00 O ATOM 145 CB CYS A 11 4.963 4.242 -4.232 1.00 0.00 C ATOM 146 SG CYS A 11 3.951 3.404 -5.479 1.00 0.00 S ATOM 0 H CYS A 11 7.123 4.569 -6.342 1.00 0.00 H new ATOM 0 HA CYS A 11 6.935 4.494 -3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.699 3.838 -3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.688 5.297 -4.226 1.00 0.00 H new ATOM 151 N SER A 12 6.869 1.899 -3.525 1.00 0.00 N ATOM 152 CA SER A 12 7.299 0.498 -3.484 1.00 0.00 C ATOM 153 C SER A 12 6.122 -0.483 -3.471 1.00 0.00 C ATOM 154 O SER A 12 4.981 -0.122 -3.168 1.00 0.00 O ATOM 155 CB SER A 12 8.193 0.283 -2.258 1.00 0.00 C ATOM 156 OG SER A 12 8.867 -0.970 -2.285 1.00 0.00 O ATOM 0 H SER A 12 6.483 2.218 -2.636 1.00 0.00 H new ATOM 0 HA SER A 12 7.858 0.293 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.928 1.086 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.586 0.345 -1.355 1.00 0.00 H new ATOM 0 HG SER A 12 9.002 -1.249 -3.215 1.00 0.00 H new ATOM 162 N LEU A 13 6.404 -1.754 -3.762 1.00 0.00 N ATOM 163 CA LEU A 13 5.414 -2.835 -3.832 1.00 0.00 C ATOM 164 C LEU A 13 4.692 -3.037 -2.497 1.00 0.00 C ATOM 165 O LEU A 13 3.485 -3.257 -2.466 1.00 0.00 O ATOM 166 CB LEU A 13 6.124 -4.126 -4.278 1.00 0.00 C ATOM 167 CG LEU A 13 6.979 -4.041 -5.564 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.448 -5.449 -5.957 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.271 -3.381 -6.756 1.00 0.00 C ATOM 0 H LEU A 13 7.353 -2.071 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 13 4.648 -2.565 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.767 -4.459 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.368 -4.897 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 13 7.823 -3.395 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.051 -5.392 -6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.046 -5.872 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.581 -6.084 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.943 -3.364 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.376 -3.949 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.991 -2.361 -6.494 1.00 0.00 H new ATOM 181 N TYR A 14 5.401 -2.859 -1.382 1.00 0.00 N ATOM 182 CA TYR A 14 4.810 -2.858 -0.041 1.00 0.00 C ATOM 183 C TYR A 14 3.796 -1.718 0.188 1.00 0.00 C ATOM 184 O TYR A 14 2.830 -1.882 0.936 1.00 0.00 O ATOM 185 CB TYR A 14 5.956 -2.779 0.975 1.00 0.00 C ATOM 186 CG TYR A 14 5.513 -2.848 2.423 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.056 -4.067 2.961 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.549 -1.693 3.232 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.633 -4.136 4.303 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.127 -1.756 4.572 1.00 0.00 C ATOM 191 CZ TYR A 14 4.670 -2.980 5.113 1.00 0.00 C ATOM 192 OH TYR A 14 4.271 -3.033 6.416 1.00 0.00 O ATOM 0 H TYR A 14 6.410 -2.710 -1.383 1.00 0.00 H new ATOM 0 HA TYR A 14 4.236 -3.777 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.654 -3.594 0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.501 -1.848 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.030 -4.952 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.901 -0.758 2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.281 -5.072 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.152 -0.869 5.188 1.00 0.00 H new ATOM 0 HH TYR A 14 4.364 -2.146 6.823 1.00 0.00 H new ATOM 202 N GLN A 15 3.977 -0.575 -0.484 1.00 0.00 N ATOM 203 CA GLN A 15 3.052 0.566 -0.418 1.00 0.00 C ATOM 204 C GLN A 15 1.859 0.374 -1.363 1.00 0.00 C ATOM 205 O GLN A 15 0.753 0.799 -1.029 1.00 0.00 O ATOM 206 CB GLN A 15 3.785 1.877 -0.740 1.00 0.00 C ATOM 207 CG GLN A 15 4.907 2.196 0.262 1.00 0.00 C ATOM 208 CD GLN A 15 5.696 3.426 -0.176 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.430 3.391 -1.154 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.558 4.555 0.488 1.00 0.00 N ATOM 0 H GLN A 15 4.777 -0.413 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 15 2.668 0.622 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.207 1.815 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.067 2.697 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.480 2.366 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.577 1.341 0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.948 4.595 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.061 5.389 0.185 1.00 0.00 H new ATOM 219 N LEU A 16 2.044 -0.323 -2.494 1.00 0.00 N ATOM 220 CA LEU A 16 0.932 -0.841 -3.299 1.00 0.00 C ATOM 221 C LEU A 16 0.082 -1.826 -2.480 1.00 0.00 C ATOM 222 O LEU A 16 -1.139 -1.679 -2.403 1.00 0.00 O ATOM 223 CB LEU A 16 1.463 -1.483 -4.600 1.00 0.00 C ATOM 224 CG LEU A 16 2.257 -0.547 -5.534 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.738 -1.328 -6.768 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.430 0.660 -5.990 1.00 0.00 C ATOM 0 H LEU A 16 2.965 -0.542 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 16 0.284 -0.011 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.101 -2.326 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.617 -1.887 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 16 3.108 -0.171 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.298 -0.662 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.380 -2.150 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.877 -1.727 -7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.034 1.288 -6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.549 0.314 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.119 1.238 -5.120 1.00 0.00 H new ATOM 238 N GLU A 17 0.715 -2.794 -1.812 1.00 0.00 N ATOM 239 CA GLU A 17 0.029 -3.847 -1.050 1.00 0.00 C ATOM 240 C GLU A 17 -0.796 -3.294 0.132 1.00 0.00 C ATOM 241 O GLU A 17 -1.788 -3.905 0.527 1.00 0.00 O ATOM 242 CB GLU A 17 1.059 -4.884 -0.567 1.00 0.00 C ATOM 243 CG GLU A 17 0.404 -6.234 -0.236 1.00 0.00 C ATOM 244 CD GLU A 17 1.382 -7.239 0.389 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.558 -7.320 -0.034 1.00 0.00 O ATOM 246 OE2 GLU A 17 0.954 -7.987 1.297 1.00 0.00 O ATOM 0 H GLU A 17 1.732 -2.872 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.688 -4.325 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.817 -5.028 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.570 -4.503 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.427 -6.070 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.015 -6.661 -1.147 1.00 0.00 H new ATOM 253 N ASN A 18 -0.455 -2.115 0.661 1.00 0.00 N ATOM 254 CA ASN A 18 -1.223 -1.435 1.712 1.00 0.00 C ATOM 255 C ASN A 18 -2.695 -1.157 1.317 1.00 0.00 C ATOM 256 O ASN A 18 -3.567 -1.092 2.184 1.00 0.00 O ATOM 257 CB ASN A 18 -0.491 -0.131 2.065 1.00 0.00 C ATOM 258 CG ASN A 18 -1.159 0.624 3.210 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.060 0.247 4.373 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.862 1.706 2.917 1.00 0.00 N ATOM 0 H ASN A 18 0.374 -1.598 0.368 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.280 -2.095 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.540 -0.359 2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.454 0.510 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.324 2.230 3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.942 2.016 1.948 1.00 0.00 H new ATOM 267 N TYR A 19 -2.985 -1.012 0.016 1.00 0.00 N ATOM 268 CA TYR A 19 -4.334 -0.808 -0.535 1.00 0.00 C ATOM 269 C TYR A 19 -5.075 -2.125 -0.871 1.00 0.00 C ATOM 270 O TYR A 19 -6.246 -2.094 -1.261 1.00 0.00 O ATOM 271 CB TYR A 19 -4.207 0.105 -1.762 1.00 0.00 C ATOM 272 CG TYR A 19 -3.957 1.565 -1.413 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.646 2.027 -1.173 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.039 2.462 -1.301 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.418 3.369 -0.818 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.821 3.810 -0.968 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.508 4.269 -0.720 1.00 0.00 C ATOM 278 OH TYR A 19 -3.303 5.569 -0.374 1.00 0.00 O ATOM 0 H TYR A 19 -2.264 -1.034 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.954 -0.339 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.391 -0.255 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.119 0.033 -2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.812 1.346 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.045 2.110 -1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.413 3.713 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.655 4.493 -0.902 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.520 5.632 0.211 1.00 0.00 H new ATOM 288 N CYS A 20 -4.424 -3.282 -0.714 1.00 0.00 N ATOM 289 CA CYS A 20 -5.016 -4.613 -0.913 1.00 0.00 C ATOM 290 C CYS A 20 -5.562 -5.234 0.385 1.00 0.00 C ATOM 291 O CYS A 20 -5.232 -4.799 1.493 1.00 0.00 O ATOM 292 CB CYS A 20 -3.980 -5.533 -1.564 1.00 0.00 C ATOM 293 SG CYS A 20 -3.414 -4.953 -3.181 1.00 0.00 S ATOM 0 H CYS A 20 -3.443 -3.322 -0.437 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.877 -4.495 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.121 -5.627 -0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.409 -6.529 -1.674 1.00 0.00 H new ATOM 298 N ASN A 21 -6.389 -6.278 0.236 1.00 0.00 N ATOM 299 CA ASN A 21 -6.869 -7.154 1.313 1.00 0.00 C ATOM 300 C ASN A 21 -5.807 -8.215 1.660 1.00 0.00 C ATOM 301 O ASN A 21 -4.962 -7.959 2.541 1.00 0.00 O ATOM 302 CB ASN A 21 -8.233 -7.746 0.869 1.00 0.00 C ATOM 303 CG ASN A 21 -8.896 -8.657 1.899 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.919 -8.335 2.483 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.336 -9.818 2.140 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.794 -9.297 1.030 1.00 0.00 O ATOM 0 H ASN A 21 -6.757 -6.546 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.029 -6.602 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.912 -6.925 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.087 -8.308 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.755 -10.456 2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.482 -10.084 1.650 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.072 -5.157 -0.669 1.00 0.00 N ATOM 315 CA PHE B 1 11.097 -4.672 -1.684 1.00 0.00 C ATOM 316 C PHE B 1 11.824 -3.896 -2.802 1.00 0.00 C ATOM 317 O PHE B 1 13.024 -4.104 -2.990 1.00 0.00 O ATOM 318 CB PHE B 1 9.957 -3.872 -1.009 1.00 0.00 C ATOM 319 CG PHE B 1 9.262 -4.601 0.128 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.438 -5.711 -0.146 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.431 -4.172 1.462 1.00 0.00 C ATOM 322 CE1 PHE B 1 7.796 -6.390 0.905 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.786 -4.849 2.511 1.00 0.00 C ATOM 324 CZ PHE B 1 7.969 -5.959 2.232 1.00 0.00 C ATOM 0 H1 PHE B 1 11.578 -5.336 0.229 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.512 -6.038 -1.003 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.808 -4.437 -0.522 1.00 0.00 H new ATOM 0 HA PHE B 1 10.619 -5.524 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.364 -2.935 -0.628 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.215 -3.613 -1.765 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.299 -6.041 -1.165 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.059 -3.320 1.677 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.169 -7.244 0.692 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.918 -4.517 3.530 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.474 -6.481 3.038 1.00 0.00 H new ATOM 336 N VAL B 2 11.142 -3.023 -3.562 1.00 0.00 N ATOM 337 CA VAL B 2 11.705 -2.254 -4.694 1.00 0.00 C ATOM 338 C VAL B 2 10.753 -1.121 -5.095 1.00 0.00 C ATOM 339 O VAL B 2 9.554 -1.340 -5.254 1.00 0.00 O ATOM 340 CB VAL B 2 12.070 -3.155 -5.908 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.879 -3.948 -6.478 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.742 -2.351 -7.033 1.00 0.00 C ATOM 0 H VAL B 2 10.154 -2.824 -3.404 1.00 0.00 H new ATOM 0 HA VAL B 2 12.643 -1.814 -4.355 1.00 0.00 H new ATOM 0 HB VAL B 2 12.777 -3.883 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.214 -4.552 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.472 -4.599 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.107 -3.255 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.981 -3.016 -7.863 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.064 -1.571 -7.378 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.658 -1.895 -6.657 1.00 0.00 H new ATOM 352 N ASN B 3 11.294 0.092 -5.243 1.00 0.00 N ATOM 353 CA ASN B 3 10.551 1.303 -5.615 1.00 0.00 C ATOM 354 C ASN B 3 10.647 1.637 -7.115 1.00 0.00 C ATOM 355 O ASN B 3 11.647 1.337 -7.773 1.00 0.00 O ATOM 356 CB ASN B 3 10.997 2.483 -4.737 1.00 0.00 C ATOM 357 CG ASN B 3 12.453 2.883 -4.974 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.771 3.619 -5.903 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.378 2.411 -4.158 1.00 0.00 N ATOM 0 H ASN B 3 12.290 0.265 -5.104 1.00 0.00 H new ATOM 0 HA ASN B 3 9.495 1.106 -5.431 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.353 3.340 -4.934 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.864 2.219 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.357 2.658 -4.300 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.113 1.799 -3.386 1.00 0.00 H new ATOM 366 N GLN B 4 9.600 2.273 -7.645 1.00 0.00 N ATOM 367 CA GLN B 4 9.465 2.651 -9.054 1.00 0.00 C ATOM 368 C GLN B 4 8.667 3.961 -9.191 1.00 0.00 C ATOM 369 O GLN B 4 7.901 4.331 -8.300 1.00 0.00 O ATOM 370 CB GLN B 4 8.743 1.525 -9.826 1.00 0.00 C ATOM 371 CG GLN B 4 9.560 0.227 -9.971 1.00 0.00 C ATOM 372 CD GLN B 4 8.849 -0.793 -10.860 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.168 -0.975 -12.030 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.846 -1.487 -10.355 1.00 0.00 N ATOM 0 H GLN B 4 8.794 2.549 -7.085 1.00 0.00 H new ATOM 0 HA GLN B 4 10.461 2.803 -9.470 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.806 1.295 -9.318 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.485 1.890 -10.820 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.538 0.458 -10.393 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.732 -0.206 -8.986 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.568 -1.348 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.349 -2.162 -10.936 1.00 0.00 H new ATOM 383 N HIS B 5 8.795 4.632 -10.341 1.00 0.00 N ATOM 384 CA HIS B 5 7.770 5.559 -10.829 1.00 0.00 C ATOM 385 C HIS B 5 6.662 4.741 -11.518 1.00 0.00 C ATOM 386 O HIS B 5 6.949 3.943 -12.418 1.00 0.00 O ATOM 387 CB HIS B 5 8.358 6.546 -11.848 1.00 0.00 C ATOM 388 CG HIS B 5 9.457 7.443 -11.346 1.00 0.00 C ATOM 389 ND1 HIS B 5 9.310 8.561 -10.562 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.782 7.359 -11.678 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.512 9.139 -10.424 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.455 8.440 -11.088 1.00 0.00 N ATOM 0 H HIS B 5 9.605 4.549 -10.955 1.00 0.00 H new ATOM 0 HA HIS B 5 7.376 6.125 -9.984 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.741 5.977 -12.695 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.549 7.173 -12.224 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.436 8.894 -10.155 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.233 6.592 -12.290 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.699 10.040 -9.859 1.00 0.00 H new ATOM 400 N LEU B 6 5.406 4.939 -11.120 1.00 0.00 N ATOM 401 CA LEU B 6 4.243 4.203 -11.629 1.00 0.00 C ATOM 402 C LEU B 6 3.035 5.142 -11.732 1.00 0.00 C ATOM 403 O LEU B 6 2.696 5.834 -10.773 1.00 0.00 O ATOM 404 CB LEU B 6 3.934 3.022 -10.690 1.00 0.00 C ATOM 405 CG LEU B 6 4.967 1.876 -10.628 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.615 0.938 -9.466 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.998 1.074 -11.940 1.00 0.00 C ATOM 0 H LEU B 6 5.160 5.634 -10.415 1.00 0.00 H new ATOM 0 HA LEU B 6 4.462 3.815 -12.624 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.808 3.417 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.976 2.596 -10.988 1.00 0.00 H new ATOM 0 HG LEU B 6 5.953 2.315 -10.475 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.342 0.128 -9.419 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.633 1.496 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.619 0.523 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.736 0.276 -11.861 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.015 0.642 -12.126 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.266 1.735 -12.764 1.00 0.00 H new ATOM 419 N CYS B 7 2.369 5.150 -12.888 1.00 0.00 N ATOM 420 CA CYS B 7 1.258 6.055 -13.209 1.00 0.00 C ATOM 421 C CYS B 7 0.033 5.291 -13.728 1.00 0.00 C ATOM 422 O CYS B 7 0.168 4.336 -14.500 1.00 0.00 O ATOM 423 CB CYS B 7 1.721 7.048 -14.288 1.00 0.00 C ATOM 424 SG CYS B 7 3.136 8.108 -13.861 1.00 0.00 S ATOM 0 H CYS B 7 2.592 4.510 -13.650 1.00 0.00 H new ATOM 0 HA CYS B 7 0.970 6.576 -12.296 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.976 6.483 -15.185 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.879 7.690 -14.545 1.00 0.00 H new ATOM 429 N GLY B 8 -1.159 5.736 -13.320 1.00 0.00 N ATOM 430 CA GLY B 8 -2.458 5.385 -13.920 1.00 0.00 C ATOM 431 C GLY B 8 -2.674 3.887 -14.134 1.00 0.00 C ATOM 432 O GLY B 8 -2.650 3.091 -13.195 1.00 0.00 O ATOM 0 H GLY B 8 -1.254 6.376 -12.532 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.254 5.766 -13.280 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.550 5.893 -14.880 1.00 0.00 H new ATOM 436 N SER B 9 -2.885 3.496 -15.391 1.00 0.00 N ATOM 437 CA SER B 9 -3.120 2.100 -15.789 1.00 0.00 C ATOM 438 C SER B 9 -1.967 1.173 -15.385 1.00 0.00 C ATOM 439 O SER B 9 -2.209 0.067 -14.914 1.00 0.00 O ATOM 440 CB SER B 9 -3.339 2.026 -17.306 1.00 0.00 C ATOM 441 OG SER B 9 -4.398 2.887 -17.713 1.00 0.00 O ATOM 0 H SER B 9 -2.898 4.147 -16.176 1.00 0.00 H new ATOM 0 HA SER B 9 -4.011 1.756 -15.263 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.421 2.304 -17.823 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.569 1.000 -17.594 1.00 0.00 H new ATOM 0 HG SER B 9 -4.517 2.823 -18.684 1.00 0.00 H new ATOM 447 N HIS B 10 -0.712 1.623 -15.487 1.00 0.00 N ATOM 448 CA HIS B 10 0.454 0.833 -15.082 1.00 0.00 C ATOM 449 C HIS B 10 0.628 0.766 -13.552 1.00 0.00 C ATOM 450 O HIS B 10 1.108 -0.239 -13.030 1.00 0.00 O ATOM 451 CB HIS B 10 1.697 1.386 -15.783 1.00 0.00 C ATOM 452 CG HIS B 10 1.701 1.123 -17.270 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.602 -0.109 -17.886 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.809 2.062 -18.262 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.656 0.090 -19.212 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.780 1.402 -19.494 1.00 0.00 N ATOM 0 H HIS B 10 -0.477 2.546 -15.853 1.00 0.00 H new ATOM 0 HA HIS B 10 0.298 -0.200 -15.393 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.758 2.460 -15.609 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.587 0.940 -15.338 1.00 0.00 H new ATOM 0 HD1 HIS B 10 1.505 -1.010 -17.417 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.901 3.128 -18.117 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.607 -0.695 -19.953 1.00 0.00 H new ATOM 464 N LEU B 11 0.169 1.784 -12.812 1.00 0.00 N ATOM 465 CA LEU B 11 0.080 1.748 -11.346 1.00 0.00 C ATOM 466 C LEU B 11 -0.973 0.729 -10.888 1.00 0.00 C ATOM 467 O LEU B 11 -0.685 -0.101 -10.027 1.00 0.00 O ATOM 468 CB LEU B 11 -0.205 3.172 -10.836 1.00 0.00 C ATOM 469 CG LEU B 11 -0.302 3.321 -9.310 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.037 3.067 -8.615 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.750 4.752 -8.990 1.00 0.00 C ATOM 0 H LEU B 11 -0.154 2.663 -13.217 1.00 0.00 H new ATOM 0 HA LEU B 11 1.025 1.415 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.582 3.833 -11.199 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.140 3.517 -11.277 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.015 2.581 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.916 3.184 -7.538 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.374 2.054 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.776 3.782 -8.977 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.825 4.877 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.022 5.459 -9.388 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.723 4.939 -9.445 1.00 0.00 H new ATOM 483 N VAL B 12 -2.163 0.751 -11.495 1.00 0.00 N ATOM 484 CA VAL B 12 -3.248 -0.214 -11.212 1.00 0.00 C ATOM 485 C VAL B 12 -2.873 -1.641 -11.664 1.00 0.00 C ATOM 486 O VAL B 12 -3.225 -2.608 -10.990 1.00 0.00 O ATOM 487 CB VAL B 12 -4.582 0.256 -11.838 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.708 -0.787 -11.728 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.063 1.548 -11.151 1.00 0.00 C ATOM 0 H VAL B 12 -2.410 1.442 -12.204 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.387 -0.252 -10.132 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.374 0.420 -12.895 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.615 -0.393 -12.187 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.409 -1.701 -12.242 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.899 -1.007 -10.678 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.003 1.870 -11.599 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.214 1.360 -10.088 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.313 2.329 -11.279 1.00 0.00 H new ATOM 499 N GLU B 13 -2.112 -1.782 -12.757 1.00 0.00 N ATOM 500 CA GLU B 13 -1.528 -3.048 -13.219 1.00 0.00 C ATOM 501 C GLU B 13 -0.520 -3.601 -12.200 1.00 0.00 C ATOM 502 O GLU B 13 -0.629 -4.760 -11.800 1.00 0.00 O ATOM 503 CB GLU B 13 -0.861 -2.807 -14.584 1.00 0.00 C ATOM 504 CG GLU B 13 -0.207 -4.037 -15.218 1.00 0.00 C ATOM 505 CD GLU B 13 0.330 -3.707 -16.623 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.063 -2.701 -16.785 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.014 -4.458 -17.575 1.00 0.00 O ATOM 0 H GLU B 13 -1.879 -0.995 -13.362 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.314 -3.796 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.611 -2.419 -15.273 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.103 -2.032 -14.468 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.608 -4.388 -14.585 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.933 -4.848 -15.282 1.00 0.00 H new ATOM 514 N ALA B 14 0.427 -2.781 -11.734 1.00 0.00 N ATOM 515 CA ALA B 14 1.399 -3.178 -10.711 1.00 0.00 C ATOM 516 C ALA B 14 0.715 -3.619 -9.407 1.00 0.00 C ATOM 517 O ALA B 14 1.031 -4.683 -8.875 1.00 0.00 O ATOM 518 CB ALA B 14 2.382 -2.019 -10.492 1.00 0.00 C ATOM 0 H ALA B 14 0.541 -1.820 -12.057 1.00 0.00 H new ATOM 0 HA ALA B 14 1.952 -4.051 -11.057 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.112 -2.300 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.897 -1.797 -11.427 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.835 -1.136 -10.161 1.00 0.00 H new ATOM 524 N LEU B 15 -0.277 -2.853 -8.936 1.00 0.00 N ATOM 525 CA LEU B 15 -1.118 -3.166 -7.776 1.00 0.00 C ATOM 526 C LEU B 15 -1.800 -4.537 -7.920 1.00 0.00 C ATOM 527 O LEU B 15 -1.652 -5.397 -7.051 1.00 0.00 O ATOM 528 CB LEU B 15 -2.120 -2.002 -7.654 1.00 0.00 C ATOM 529 CG LEU B 15 -3.154 -2.103 -6.521 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.487 -2.040 -5.144 1.00 0.00 C ATOM 531 CD2 LEU B 15 -4.148 -0.946 -6.668 1.00 0.00 C ATOM 0 H LEU B 15 -0.525 -1.964 -9.370 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.528 -3.254 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.556 -1.079 -7.520 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.657 -1.913 -8.599 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.666 -3.063 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.248 -2.114 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.783 -2.866 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.954 -1.095 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.890 -1.001 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.615 0.002 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.647 -1.015 -7.635 1.00 0.00 H new ATOM 543 N TYR B 16 -2.473 -4.781 -9.049 1.00 0.00 N ATOM 544 CA TYR B 16 -3.084 -6.075 -9.372 1.00 0.00 C ATOM 545 C TYR B 16 -2.063 -7.229 -9.398 1.00 0.00 C ATOM 546 O TYR B 16 -2.351 -8.318 -8.902 1.00 0.00 O ATOM 547 CB TYR B 16 -3.806 -5.959 -10.723 1.00 0.00 C ATOM 548 CG TYR B 16 -4.370 -7.270 -11.237 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.517 -7.825 -10.637 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.722 -7.953 -12.286 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.021 -9.060 -11.088 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.224 -9.185 -12.742 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.381 -9.742 -12.146 1.00 0.00 C ATOM 554 OH TYR B 16 -5.873 -10.932 -12.585 1.00 0.00 O ATOM 0 H TYR B 16 -2.611 -4.077 -9.774 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.795 -6.319 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.618 -5.238 -10.628 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.111 -5.560 -11.462 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.010 -7.303 -9.830 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.838 -7.529 -12.740 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.898 -9.486 -10.624 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.727 -9.706 -13.547 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.315 -11.266 -13.318 1.00 0.00 H new ATOM 564 N LEU B 17 -0.861 -7.000 -9.938 1.00 0.00 N ATOM 565 CA LEU B 17 0.191 -8.019 -10.069 1.00 0.00 C ATOM 566 C LEU B 17 0.921 -8.310 -8.749 1.00 0.00 C ATOM 567 O LEU B 17 1.271 -9.463 -8.499 1.00 0.00 O ATOM 568 CB LEU B 17 1.181 -7.602 -11.172 1.00 0.00 C ATOM 569 CG LEU B 17 0.620 -7.681 -12.611 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.640 -7.072 -13.583 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.299 -9.121 -13.044 1.00 0.00 C ATOM 0 H LEU B 17 -0.586 -6.088 -10.302 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.295 -8.954 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.508 -6.580 -10.980 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.065 -8.237 -11.106 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.316 -7.122 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.250 -7.125 -14.600 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.819 -6.030 -13.317 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.576 -7.628 -13.524 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.091 -9.116 -14.062 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.207 -9.723 -13.006 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.446 -9.546 -12.371 1.00 0.00 H new ATOM 583 N VAL B 18 1.105 -7.302 -7.895 1.00 0.00 N ATOM 584 CA VAL B 18 1.639 -7.458 -6.528 1.00 0.00 C ATOM 585 C VAL B 18 0.692 -8.313 -5.684 1.00 0.00 C ATOM 586 O VAL B 18 1.141 -9.233 -4.999 1.00 0.00 O ATOM 587 CB VAL B 18 1.874 -6.085 -5.852 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.069 -6.160 -4.324 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.131 -5.420 -6.440 1.00 0.00 C ATOM 0 H VAL B 18 0.885 -6.334 -8.132 1.00 0.00 H new ATOM 0 HA VAL B 18 2.603 -7.962 -6.600 1.00 0.00 H new ATOM 0 HB VAL B 18 0.969 -5.510 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.228 -5.157 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.181 -6.595 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.936 -6.781 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.290 -4.454 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.996 -6.059 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.998 -5.275 -7.512 1.00 0.00 H new ATOM 599 N CYS B 19 -0.611 -8.015 -5.732 1.00 0.00 N ATOM 600 CA CYS B 19 -1.597 -8.660 -4.852 1.00 0.00 C ATOM 601 C CYS B 19 -2.170 -9.973 -5.417 1.00 0.00 C ATOM 602 O CYS B 19 -2.582 -10.847 -4.646 1.00 0.00 O ATOM 603 CB CYS B 19 -2.661 -7.619 -4.486 1.00 0.00 C ATOM 604 SG CYS B 19 -1.893 -6.210 -3.631 1.00 0.00 S ATOM 0 H CYS B 19 -1.010 -7.329 -6.373 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.100 -8.993 -3.940 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.168 -7.274 -5.387 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.419 -8.072 -3.847 1.00 0.00 H new ATOM 609 N GLY B 20 -2.144 -10.165 -6.743 1.00 0.00 N ATOM 610 CA GLY B 20 -2.505 -11.421 -7.411 1.00 0.00 C ATOM 611 C GLY B 20 -3.990 -11.745 -7.249 1.00 0.00 C ATOM 612 O GLY B 20 -4.848 -11.017 -7.752 1.00 0.00 O ATOM 0 H GLY B 20 -1.864 -9.433 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.262 -11.351 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.909 -12.236 -7.000 1.00 0.00 H new ATOM 616 N GLU B 21 -4.291 -12.841 -6.547 1.00 0.00 N ATOM 617 CA GLU B 21 -5.662 -13.245 -6.209 1.00 0.00 C ATOM 618 C GLU B 21 -6.301 -12.350 -5.124 1.00 0.00 C ATOM 619 O GLU B 21 -7.530 -12.301 -5.016 1.00 0.00 O ATOM 620 CB GLU B 21 -5.681 -14.714 -5.746 1.00 0.00 C ATOM 621 CG GLU B 21 -5.302 -15.685 -6.875 1.00 0.00 C ATOM 622 CD GLU B 21 -5.415 -17.145 -6.407 1.00 0.00 C ATOM 623 OE1 GLU B 21 -4.418 -17.695 -5.880 1.00 0.00 O ATOM 624 OE2 GLU B 21 -6.499 -17.757 -6.568 1.00 0.00 O ATOM 0 H GLU B 21 -3.581 -13.482 -6.192 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.257 -13.129 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.988 -14.840 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.675 -14.963 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.954 -15.523 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.283 -15.483 -7.206 1.00 0.00 H new ATOM 631 N ARG B 22 -5.493 -11.620 -4.337 1.00 0.00 N ATOM 632 CA ARG B 22 -5.971 -10.620 -3.372 1.00 0.00 C ATOM 633 C ARG B 22 -6.404 -9.347 -4.116 1.00 0.00 C ATOM 634 O ARG B 22 -5.680 -8.833 -4.976 1.00 0.00 O ATOM 635 CB ARG B 22 -4.888 -10.306 -2.323 1.00 0.00 C ATOM 636 CG ARG B 22 -4.513 -11.524 -1.460 1.00 0.00 C ATOM 637 CD ARG B 22 -3.193 -11.314 -0.706 1.00 0.00 C ATOM 638 NE ARG B 22 -3.247 -10.182 0.233 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.212 -9.506 0.717 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.971 -9.788 0.380 1.00 0.00 N ATOM 641 NH2 ARG B 22 -2.398 -8.522 1.564 1.00 0.00 N ATOM 0 H ARG B 22 -4.477 -11.710 -4.355 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.832 -11.026 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -3.996 -9.938 -2.830 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.240 -9.503 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.311 -11.720 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.431 -12.406 -2.095 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -2.944 -12.223 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.392 -11.146 -1.425 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.173 -9.887 0.543 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.780 -10.548 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.200 -9.247 0.772 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.343 -8.271 1.855 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.598 -8.007 1.932 1.00 0.00 H new ATOM 655 N GLY B 23 -7.582 -8.831 -3.760 1.00 0.00 N ATOM 656 CA GLY B 23 -8.201 -7.640 -4.356 1.00 0.00 C ATOM 657 C GLY B 23 -7.805 -6.344 -3.653 1.00 0.00 C ATOM 658 O GLY B 23 -7.243 -6.371 -2.556 1.00 0.00 O ATOM 0 H GLY B 23 -8.153 -9.244 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.917 -7.578 -5.407 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.285 -7.747 -4.324 1.00 0.00 H new ATOM 662 N PHE B 24 -8.119 -5.212 -4.284 1.00 0.00 N ATOM 663 CA PHE B 24 -7.821 -3.863 -3.790 1.00 0.00 C ATOM 664 C PHE B 24 -8.998 -2.883 -3.928 1.00 0.00 C ATOM 665 O PHE B 24 -9.933 -3.100 -4.699 1.00 0.00 O ATOM 666 CB PHE B 24 -6.584 -3.329 -4.532 1.00 0.00 C ATOM 667 CG PHE B 24 -6.727 -3.270 -6.042 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.331 -2.159 -6.661 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.254 -4.333 -6.834 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.459 -2.109 -8.060 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.386 -4.285 -8.230 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.987 -3.173 -8.847 1.00 0.00 C ATOM 0 H PHE B 24 -8.603 -5.206 -5.182 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.628 -3.940 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -6.359 -2.328 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.729 -3.959 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.698 -1.341 -6.058 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.788 -5.188 -6.366 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.920 -1.253 -8.530 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.025 -5.105 -8.833 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.085 -3.137 -9.922 1.00 0.00 H new ATOM 682 N PHE B 25 -8.896 -1.768 -3.201 1.00 0.00 N ATOM 683 CA PHE B 25 -9.658 -0.533 -3.401 1.00 0.00 C ATOM 684 C PHE B 25 -8.668 0.638 -3.512 1.00 0.00 C ATOM 685 O PHE B 25 -7.630 0.627 -2.850 1.00 0.00 O ATOM 686 CB PHE B 25 -10.639 -0.345 -2.236 1.00 0.00 C ATOM 687 CG PHE B 25 -11.498 0.899 -2.366 1.00 0.00 C ATOM 688 CD1 PHE B 25 -12.645 0.882 -3.180 1.00 0.00 C ATOM 689 CD2 PHE B 25 -11.140 2.084 -1.694 1.00 0.00 C ATOM 690 CE1 PHE B 25 -13.429 2.040 -3.323 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.924 3.243 -1.834 1.00 0.00 C ATOM 692 CZ PHE B 25 -13.068 3.221 -2.650 1.00 0.00 C ATOM 0 H PHE B 25 -8.247 -1.699 -2.417 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.243 -0.579 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.287 -1.219 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.078 -0.294 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -12.924 -0.024 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.260 2.103 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -14.308 2.023 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.647 4.149 -1.315 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.670 4.111 -2.760 1.00 0.00 H new ATOM 702 N TYR B 26 -8.953 1.633 -4.358 1.00 0.00 N ATOM 703 CA TYR B 26 -7.961 2.650 -4.757 1.00 0.00 C ATOM 704 C TYR B 26 -8.576 4.041 -5.014 1.00 0.00 C ATOM 705 O TYR B 26 -9.699 4.152 -5.519 1.00 0.00 O ATOM 706 CB TYR B 26 -7.197 2.128 -5.993 1.00 0.00 C ATOM 707 CG TYR B 26 -5.709 2.429 -6.020 1.00 0.00 C ATOM 708 CD1 TYR B 26 -4.896 2.043 -4.932 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.119 2.986 -7.168 1.00 0.00 C ATOM 710 CE1 TYR B 26 -3.502 2.213 -4.985 1.00 0.00 C ATOM 711 CE2 TYR B 26 -3.722 3.146 -7.234 1.00 0.00 C ATOM 712 CZ TYR B 26 -2.911 2.751 -6.149 1.00 0.00 C ATOM 713 OH TYR B 26 -1.559 2.855 -6.233 1.00 0.00 O ATOM 0 H TYR B 26 -9.870 1.760 -4.786 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.273 2.800 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.332 1.048 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.652 2.555 -6.886 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.350 1.613 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.737 3.291 -7.999 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.887 1.934 -4.142 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.270 3.572 -8.117 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.206 2.110 -6.763 1.00 0.00 H new ATOM 723 N THR B 27 -7.825 5.099 -4.667 1.00 0.00 N ATOM 724 CA THR B 27 -8.296 6.497 -4.623 1.00 0.00 C ATOM 725 C THR B 27 -7.119 7.446 -4.902 1.00 0.00 C ATOM 726 O THR B 27 -6.030 7.185 -4.381 1.00 0.00 O ATOM 727 CB THR B 27 -8.896 6.820 -3.239 1.00 0.00 C ATOM 728 OG1 THR B 27 -9.783 5.803 -2.827 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.681 8.132 -3.209 1.00 0.00 C ATOM 0 H THR B 27 -6.845 5.005 -4.401 1.00 0.00 H new ATOM 0 HA THR B 27 -9.066 6.631 -5.382 1.00 0.00 H new ATOM 0 HB THR B 27 -8.038 6.902 -2.572 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.151 6.027 -1.947 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.075 8.297 -2.206 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.022 8.957 -3.480 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.506 8.078 -3.919 1.00 0.00 H new ATOM 737 N PRO B 28 -7.302 8.537 -5.673 1.00 0.00 N ATOM 738 CA PRO B 28 -6.281 9.565 -5.880 1.00 0.00 C ATOM 739 C PRO B 28 -6.164 10.513 -4.671 1.00 0.00 C ATOM 740 O PRO B 28 -6.714 10.260 -3.602 1.00 0.00 O ATOM 741 CB PRO B 28 -6.708 10.270 -7.175 1.00 0.00 C ATOM 742 CG PRO B 28 -8.232 10.211 -7.101 1.00 0.00 C ATOM 743 CD PRO B 28 -8.479 8.836 -6.485 1.00 0.00 C ATOM 0 HA PRO B 28 -5.277 9.150 -5.972 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.344 11.297 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.325 9.760 -8.059 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.640 11.012 -6.484 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.690 10.303 -8.086 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.382 8.839 -5.875 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.620 8.082 -7.259 1.00 0.00 H new ATOM 751 N LYS B 29 -5.414 11.610 -4.828 1.00 0.00 N ATOM 752 CA LYS B 29 -5.198 12.618 -3.777 1.00 0.00 C ATOM 753 C LYS B 29 -6.494 13.345 -3.344 1.00 0.00 C ATOM 754 O LYS B 29 -6.636 13.721 -2.178 1.00 0.00 O ATOM 755 CB LYS B 29 -4.138 13.609 -4.300 1.00 0.00 C ATOM 756 CG LYS B 29 -3.651 14.591 -3.221 1.00 0.00 C ATOM 757 CD LYS B 29 -2.559 15.540 -3.734 1.00 0.00 C ATOM 758 CE LYS B 29 -3.105 16.535 -4.765 1.00 0.00 C ATOM 759 NZ LYS B 29 -2.044 17.443 -5.262 1.00 0.00 N ATOM 0 H LYS B 29 -4.932 11.828 -5.700 1.00 0.00 H new ATOM 0 HA LYS B 29 -4.851 12.118 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -3.286 13.050 -4.687 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -4.555 14.172 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -4.496 15.177 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -3.267 14.028 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -2.129 16.086 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -1.753 14.958 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -3.540 15.990 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -3.906 17.122 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -2.433 18.057 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -1.693 18.029 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -1.260 16.881 -5.651 1.00 0.00 H new ATOM 773 N THR B 30 -7.428 13.551 -4.280 1.00 0.00 N ATOM 774 CA THR B 30 -8.703 14.280 -4.093 1.00 0.00 C ATOM 775 C THR B 30 -9.792 13.437 -3.422 1.00 0.00 C ATOM 776 O THR B 30 -10.145 12.361 -3.958 1.00 0.00 O ATOM 777 CB THR B 30 -9.226 14.829 -5.428 1.00 0.00 C ATOM 778 OG1 THR B 30 -9.220 13.820 -6.413 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.365 15.984 -5.946 1.00 0.00 C ATOM 780 OXT THR B 30 -10.302 13.863 -2.362 1.00 0.00 O ATOM 0 H THR B 30 -7.318 13.202 -5.232 1.00 0.00 H new ATOM 0 HA THR B 30 -8.473 15.106 -3.420 1.00 0.00 H new ATOM 0 HB THR B 30 -10.239 15.185 -5.241 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.415 12.955 -5.996 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.769 16.343 -6.892 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.369 16.795 -5.218 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.343 15.637 -6.097 1.00 0.00 H new TER 788 THR B 30