USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 Single : A 6 THR OG1 : rot 19:sc= 0.725 USER MOD Single : A 9 GLN : amide:sc= -1.47 K(o=-1.5,f=-7.1!) USER MOD Single : A 13 SER OG : rot -86:sc= -0.509 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00665) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -21.9! C(o=-22!,f=-29!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 CYS SG : rot 75:sc= 1.02 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -133:sc= -7.74! (180deg=-9.77!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0504 USER MOD Single : A 64 SER OG : rot 77:sc= 0.76 USER MOD Single : A 65 SER OG : rot 54:sc= 1.05 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 85:sc= 0.0132 USER MOD Single : B 22 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.303 -8.736 8.610 1.00 0.00 N ATOM 67 CA THR A 6 1.476 -8.493 9.497 1.00 0.00 C ATOM 68 C THR A 6 2.674 -9.322 9.024 1.00 0.00 C ATOM 69 O THR A 6 3.758 -8.809 8.831 1.00 0.00 O ATOM 70 CB THR A 6 1.023 -8.943 10.886 1.00 0.00 C ATOM 71 OG1 THR A 6 -0.325 -8.546 11.093 1.00 0.00 O ATOM 72 CG2 THR A 6 1.916 -8.302 11.947 1.00 0.00 C ATOM 0 HA THR A 6 1.791 -7.449 9.492 1.00 0.00 H new ATOM 0 HB THR A 6 1.097 -10.028 10.961 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.746 -8.355 10.229 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.593 -8.623 12.937 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.950 -8.608 11.786 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.844 -7.217 11.876 1.00 0.00 H new ATOM 80 N ALA A 7 2.486 -10.599 8.830 1.00 0.00 N ATOM 81 CA ALA A 7 3.613 -11.455 8.364 1.00 0.00 C ATOM 82 C ALA A 7 3.959 -11.111 6.915 1.00 0.00 C ATOM 83 O ALA A 7 5.111 -10.978 6.554 1.00 0.00 O ATOM 84 CB ALA A 7 3.096 -12.890 8.470 1.00 0.00 C ATOM 0 H ALA A 7 1.601 -11.086 8.974 1.00 0.00 H new ATOM 0 HA ALA A 7 4.518 -11.310 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.872 -13.582 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.831 -13.106 9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.216 -13.007 7.838 1.00 0.00 H new ATOM 90 N GLU A 8 2.964 -10.959 6.083 1.00 0.00 N ATOM 91 CA GLU A 8 3.233 -10.614 4.659 1.00 0.00 C ATOM 92 C GLU A 8 4.089 -9.348 4.588 1.00 0.00 C ATOM 93 O GLU A 8 4.948 -9.215 3.739 1.00 0.00 O ATOM 94 CB GLU A 8 1.855 -10.367 4.043 1.00 0.00 C ATOM 95 CG GLU A 8 1.965 -10.391 2.517 1.00 0.00 C ATOM 96 CD GLU A 8 2.401 -11.783 2.058 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.807 -12.748 2.508 1.00 0.00 O ATOM 98 OE2 GLU A 8 3.324 -11.861 1.263 1.00 0.00 O ATOM 0 H GLU A 8 1.979 -11.059 6.328 1.00 0.00 H new ATOM 0 HA GLU A 8 3.775 -11.400 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.153 -11.130 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.464 -9.405 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.006 -10.133 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.685 -9.644 2.182 1.00 0.00 H new ATOM 105 N GLN A 9 3.864 -8.418 5.477 1.00 0.00 N ATOM 106 CA GLN A 9 4.666 -7.163 5.462 1.00 0.00 C ATOM 107 C GLN A 9 6.146 -7.489 5.679 1.00 0.00 C ATOM 108 O GLN A 9 7.009 -6.981 4.992 1.00 0.00 O ATOM 109 CB GLN A 9 4.122 -6.330 6.624 1.00 0.00 C ATOM 110 CG GLN A 9 3.852 -4.901 6.148 1.00 0.00 C ATOM 111 CD GLN A 9 2.850 -4.926 4.993 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.422 -5.981 4.566 1.00 0.00 O ATOM 113 NE2 GLN A 9 2.454 -3.800 4.463 1.00 0.00 N ATOM 0 H GLN A 9 3.159 -8.474 6.212 1.00 0.00 H new ATOM 0 HA GLN A 9 4.590 -6.631 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.204 -6.776 7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.838 -6.321 7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.460 -4.301 6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.782 -4.432 5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.812 -2.914 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.786 -3.806 3.692 1.00 0.00 H new ATOM 122 N VAL A 10 6.445 -8.341 6.621 1.00 0.00 N ATOM 123 CA VAL A 10 7.869 -8.706 6.868 1.00 0.00 C ATOM 124 C VAL A 10 8.477 -9.292 5.590 1.00 0.00 C ATOM 125 O VAL A 10 9.598 -8.997 5.231 1.00 0.00 O ATOM 126 CB VAL A 10 7.826 -9.755 7.979 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.250 -10.199 8.321 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.169 -9.152 9.222 1.00 0.00 C ATOM 0 H VAL A 10 5.767 -8.799 7.229 1.00 0.00 H new ATOM 0 HA VAL A 10 8.479 -7.849 7.152 1.00 0.00 H new ATOM 0 HB VAL A 10 7.249 -10.616 7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.218 -10.947 9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.720 -10.628 7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.828 -9.339 8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.137 -9.899 10.015 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.747 -8.291 9.557 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.154 -8.836 8.980 1.00 0.00 H new ATOM 138 N ILE A 11 7.734 -10.113 4.897 1.00 0.00 N ATOM 139 CA ILE A 11 8.255 -10.709 3.634 1.00 0.00 C ATOM 140 C ILE A 11 8.433 -9.611 2.588 1.00 0.00 C ATOM 141 O ILE A 11 9.435 -9.548 1.903 1.00 0.00 O ATOM 142 CB ILE A 11 7.185 -11.709 3.190 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.109 -12.855 4.203 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.551 -12.270 1.815 1.00 0.00 C ATOM 145 CD1 ILE A 11 6.012 -13.836 3.784 1.00 0.00 C ATOM 0 H ILE A 11 6.788 -10.397 5.152 1.00 0.00 H new ATOM 0 HA ILE A 11 9.223 -11.192 3.767 1.00 0.00 H new ATOM 0 HB ILE A 11 6.219 -11.207 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.069 -13.369 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.899 -12.462 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.789 -12.982 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.609 -11.455 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.516 -12.773 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.958 -14.651 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.054 -13.318 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.241 -14.239 2.797 1.00 0.00 H new ATOM 157 N ALA A 12 7.474 -8.731 2.470 1.00 0.00 N ATOM 158 CA ALA A 12 7.602 -7.627 1.480 1.00 0.00 C ATOM 159 C ALA A 12 8.873 -6.836 1.784 1.00 0.00 C ATOM 160 O ALA A 12 9.635 -6.499 0.900 1.00 0.00 O ATOM 161 CB ALA A 12 6.361 -6.759 1.683 1.00 0.00 C ATOM 0 H ALA A 12 6.612 -8.730 3.015 1.00 0.00 H new ATOM 0 HA ALA A 12 7.670 -7.982 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.385 -5.922 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.466 -7.355 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.345 -6.380 2.705 1.00 0.00 H new ATOM 167 N SER A 13 9.118 -6.561 3.036 1.00 0.00 N ATOM 168 CA SER A 13 10.353 -5.819 3.403 1.00 0.00 C ATOM 169 C SER A 13 11.564 -6.699 3.098 1.00 0.00 C ATOM 170 O SER A 13 12.583 -6.234 2.625 1.00 0.00 O ATOM 171 CB SER A 13 10.236 -5.562 4.906 1.00 0.00 C ATOM 172 OG SER A 13 9.284 -6.458 5.463 1.00 0.00 O ATOM 0 H SER A 13 8.516 -6.818 3.818 1.00 0.00 H new ATOM 0 HA SER A 13 10.471 -4.886 2.851 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.205 -5.698 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.932 -4.531 5.088 1.00 0.00 H new ATOM 0 HG SER A 13 8.385 -6.079 5.371 1.00 0.00 H new ATOM 178 N PHE A 14 11.450 -7.976 3.352 1.00 0.00 N ATOM 179 CA PHE A 14 12.584 -8.896 3.061 1.00 0.00 C ATOM 180 C PHE A 14 12.777 -9.003 1.548 1.00 0.00 C ATOM 181 O PHE A 14 13.885 -8.979 1.049 1.00 0.00 O ATOM 182 CB PHE A 14 12.168 -10.246 3.648 1.00 0.00 C ATOM 183 CG PHE A 14 12.838 -10.437 4.987 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.227 -10.305 5.097 1.00 0.00 C ATOM 185 CD2 PHE A 14 12.071 -10.746 6.117 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.850 -10.482 6.339 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.695 -10.922 7.358 1.00 0.00 C ATOM 188 CZ PHE A 14 14.083 -10.790 7.470 1.00 0.00 C ATOM 0 H PHE A 14 10.621 -8.419 3.748 1.00 0.00 H new ATOM 0 HA PHE A 14 13.525 -8.549 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.085 -10.288 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.449 -11.052 2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.818 -10.067 4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.999 -10.848 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.922 -10.381 6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.104 -11.160 8.230 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.563 -10.925 8.428 1.00 0.00 H new ATOM 198 N ARG A 15 11.704 -9.107 0.812 1.00 0.00 N ATOM 199 CA ARG A 15 11.825 -9.199 -0.669 1.00 0.00 C ATOM 200 C ARG A 15 12.635 -8.008 -1.188 1.00 0.00 C ATOM 201 O ARG A 15 13.502 -8.153 -2.028 1.00 0.00 O ATOM 202 CB ARG A 15 10.386 -9.144 -1.188 1.00 0.00 C ATOM 203 CG ARG A 15 10.365 -9.498 -2.676 1.00 0.00 C ATOM 204 CD ARG A 15 9.720 -10.873 -2.865 1.00 0.00 C ATOM 205 NE ARG A 15 8.253 -10.611 -2.883 1.00 0.00 N ATOM 206 CZ ARG A 15 7.697 -10.051 -3.924 1.00 0.00 C ATOM 207 NH1 ARG A 15 8.424 -9.716 -4.956 1.00 0.00 N ATOM 208 NH2 ARG A 15 6.411 -9.826 -3.933 1.00 0.00 N ATOM 0 H ARG A 15 10.750 -9.132 1.173 1.00 0.00 H new ATOM 0 HA ARG A 15 12.334 -10.105 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.760 -9.840 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.971 -8.148 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.808 -8.744 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.380 -9.503 -3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.049 -11.339 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.990 -11.551 -2.055 1.00 0.00 H new ATOM 0 HE ARG A 15 7.681 -10.870 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.429 -9.892 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.987 -9.279 -5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.842 -10.087 -3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.975 -9.389 -4.745 1.00 0.00 H new ATOM 222 N ILE A 16 12.367 -6.833 -0.685 1.00 0.00 N ATOM 223 CA ILE A 16 13.130 -5.635 -1.139 1.00 0.00 C ATOM 224 C ILE A 16 14.603 -5.789 -0.757 1.00 0.00 C ATOM 225 O ILE A 16 15.491 -5.533 -1.546 1.00 0.00 O ATOM 226 CB ILE A 16 12.502 -4.455 -0.395 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.093 -4.204 -0.935 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.358 -3.203 -0.605 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.339 -3.277 0.020 1.00 0.00 C ATOM 0 H ILE A 16 11.653 -6.651 0.020 1.00 0.00 H new ATOM 0 HA ILE A 16 13.088 -5.497 -2.219 1.00 0.00 H new ATOM 0 HB ILE A 16 12.449 -4.684 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.147 -3.756 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.559 -5.148 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.910 -2.363 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.363 -3.380 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.412 -2.973 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.335 -3.098 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.274 -3.743 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.871 -2.329 0.102 1.00 0.00 H new ATOM 241 N LEU A 17 14.868 -6.215 0.448 1.00 0.00 N ATOM 242 CA LEU A 17 16.283 -6.396 0.881 1.00 0.00 C ATOM 243 C LEU A 17 16.951 -7.475 0.026 1.00 0.00 C ATOM 244 O LEU A 17 18.123 -7.401 -0.284 1.00 0.00 O ATOM 245 CB LEU A 17 16.197 -6.847 2.341 1.00 0.00 C ATOM 246 CG LEU A 17 16.375 -5.639 3.261 1.00 0.00 C ATOM 247 CD1 LEU A 17 17.718 -4.967 2.973 1.00 0.00 C ATOM 248 CD2 LEU A 17 15.242 -4.639 3.015 1.00 0.00 C ATOM 0 H LEU A 17 14.166 -6.445 1.151 1.00 0.00 H new ATOM 0 HA LEU A 17 16.873 -5.486 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.234 -7.322 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.966 -7.591 2.548 1.00 0.00 H new ATOM 0 HG LEU A 17 16.351 -5.969 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.842 -4.106 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.526 -5.678 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.745 -4.637 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.368 -3.777 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.266 -4.311 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.284 -5.116 3.223 1.00 0.00 H new ATOM 260 N ALA A 18 16.208 -8.476 -0.360 1.00 0.00 N ATOM 261 CA ALA A 18 16.791 -9.560 -1.199 1.00 0.00 C ATOM 262 C ALA A 18 16.865 -9.112 -2.661 1.00 0.00 C ATOM 263 O ALA A 18 17.267 -9.859 -3.530 1.00 0.00 O ATOM 264 CB ALA A 18 15.829 -10.738 -1.047 1.00 0.00 C ATOM 0 H ALA A 18 15.221 -8.590 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 18 17.805 -9.820 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.189 -11.581 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.772 -11.028 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.839 -10.447 -1.397 1.00 0.00 H new ATOM 270 N SER A 19 16.477 -7.896 -2.938 1.00 0.00 N ATOM 271 CA SER A 19 16.523 -7.401 -4.344 1.00 0.00 C ATOM 272 C SER A 19 15.633 -8.269 -5.237 1.00 0.00 C ATOM 273 O SER A 19 16.104 -9.147 -5.933 1.00 0.00 O ATOM 274 CB SER A 19 17.987 -7.523 -4.759 1.00 0.00 C ATOM 275 OG SER A 19 18.236 -6.656 -5.859 1.00 0.00 O ATOM 0 H SER A 19 16.131 -7.225 -2.252 1.00 0.00 H new ATOM 0 HA SER A 19 16.160 -6.377 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.637 -7.265 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.215 -8.553 -5.034 1.00 0.00 H new ATOM 0 HG SER A 19 19.176 -6.730 -6.128 1.00 0.00 H new ATOM 281 N ASP A 20 14.350 -8.031 -5.220 1.00 0.00 N ATOM 282 CA ASP A 20 13.428 -8.842 -6.066 1.00 0.00 C ATOM 283 C ASP A 20 13.769 -10.331 -5.953 1.00 0.00 C ATOM 284 O ASP A 20 14.076 -10.983 -6.930 1.00 0.00 O ATOM 285 CB ASP A 20 13.659 -8.346 -7.495 1.00 0.00 C ATOM 286 CG ASP A 20 12.591 -7.311 -7.854 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.838 -6.936 -6.971 1.00 0.00 O ATOM 288 OD2 ASP A 20 12.546 -6.911 -9.005 1.00 0.00 O ATOM 0 H ASP A 20 13.900 -7.310 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 20 12.388 -8.733 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.652 -7.905 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.619 -9.183 -8.193 1.00 0.00 H new ATOM 293 N LYS A 21 13.713 -10.874 -4.766 1.00 0.00 N ATOM 294 CA LYS A 21 14.031 -12.318 -4.590 1.00 0.00 C ATOM 295 C LYS A 21 13.304 -12.869 -3.363 1.00 0.00 C ATOM 296 O LYS A 21 13.190 -12.199 -2.356 1.00 0.00 O ATOM 297 CB LYS A 21 15.546 -12.369 -4.387 1.00 0.00 C ATOM 298 CG LYS A 21 16.246 -12.201 -5.736 1.00 0.00 C ATOM 299 CD LYS A 21 17.436 -13.158 -5.820 1.00 0.00 C ATOM 300 CE LYS A 21 17.908 -13.263 -7.272 1.00 0.00 C ATOM 301 NZ LYS A 21 18.718 -12.035 -7.504 1.00 0.00 N ATOM 0 H LYS A 21 13.460 -10.378 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 21 13.716 -12.919 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.859 -11.581 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.831 -13.318 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.547 -12.402 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.585 -11.172 -5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.249 -12.800 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.151 -14.142 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.502 -14.163 -7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.063 -13.314 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.105 -12.052 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.116 -11.195 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.499 -12.000 -6.818 1.00 0.00 H new ATOM 315 N PRO A 22 12.840 -14.080 -3.493 1.00 0.00 N ATOM 316 CA PRO A 22 12.121 -14.703 -2.352 1.00 0.00 C ATOM 317 C PRO A 22 13.120 -15.202 -1.306 1.00 0.00 C ATOM 318 O PRO A 22 12.755 -15.847 -0.342 1.00 0.00 O ATOM 319 CB PRO A 22 11.361 -15.873 -2.973 1.00 0.00 C ATOM 320 CG PRO A 22 12.051 -16.150 -4.269 1.00 0.00 C ATOM 321 CD PRO A 22 12.669 -14.858 -4.726 1.00 0.00 C ATOM 0 HA PRO A 22 11.457 -14.004 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.383 -16.746 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.313 -15.621 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.814 -16.918 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.344 -16.522 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.623 -15.028 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.026 -14.340 -5.437 1.00 0.00 H new ATOM 329 N TYR A 23 14.380 -14.910 -1.489 1.00 0.00 N ATOM 330 CA TYR A 23 15.401 -15.370 -0.503 1.00 0.00 C ATOM 331 C TYR A 23 16.383 -14.237 -0.195 1.00 0.00 C ATOM 332 O TYR A 23 16.434 -13.242 -0.890 1.00 0.00 O ATOM 333 CB TYR A 23 16.119 -16.531 -1.190 1.00 0.00 C ATOM 334 CG TYR A 23 15.099 -17.515 -1.710 1.00 0.00 C ATOM 335 CD1 TYR A 23 14.136 -18.050 -0.845 1.00 0.00 C ATOM 336 CD2 TYR A 23 15.114 -17.894 -3.058 1.00 0.00 C ATOM 337 CE1 TYR A 23 13.191 -18.963 -1.328 1.00 0.00 C ATOM 338 CE2 TYR A 23 14.169 -18.806 -3.540 1.00 0.00 C ATOM 339 CZ TYR A 23 13.207 -19.341 -2.675 1.00 0.00 C ATOM 340 OH TYR A 23 12.275 -20.241 -3.151 1.00 0.00 O ATOM 0 H TYR A 23 14.746 -14.374 -2.276 1.00 0.00 H new ATOM 0 HA TYR A 23 14.956 -15.671 0.445 1.00 0.00 H new ATOM 0 HB2 TYR A 23 16.733 -16.159 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 23 16.791 -17.024 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.122 -17.758 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.856 -17.482 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.449 -19.376 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.182 -19.097 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 23 12.426 -20.394 -4.107 1.00 0.00 H new ATOM 350 N ILE A 24 17.164 -14.377 0.842 1.00 0.00 N ATOM 351 CA ILE A 24 18.138 -13.301 1.186 1.00 0.00 C ATOM 352 C ILE A 24 19.481 -13.919 1.600 1.00 0.00 C ATOM 353 O ILE A 24 19.530 -14.923 2.282 1.00 0.00 O ATOM 354 CB ILE A 24 17.479 -12.534 2.345 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.844 -11.050 2.249 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.944 -13.086 3.698 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.347 -10.901 2.005 1.00 0.00 C ATOM 0 H ILE A 24 17.170 -15.186 1.463 1.00 0.00 H new ATOM 0 HA ILE A 24 18.357 -12.640 0.348 1.00 0.00 H new ATOM 0 HB ILE A 24 16.398 -12.657 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.286 -10.581 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.563 -10.537 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.465 -12.528 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.672 -14.139 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.026 -12.984 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.602 -9.843 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.896 -11.354 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.615 -11.399 1.073 1.00 0.00 H new ATOM 369 N LEU A 25 20.569 -13.324 1.195 1.00 0.00 N ATOM 370 CA LEU A 25 21.902 -13.874 1.566 1.00 0.00 C ATOM 371 C LEU A 25 22.301 -13.385 2.961 1.00 0.00 C ATOM 372 O LEU A 25 21.857 -12.351 3.419 1.00 0.00 O ATOM 373 CB LEU A 25 22.867 -13.331 0.510 1.00 0.00 C ATOM 374 CG LEU A 25 22.780 -14.194 -0.751 1.00 0.00 C ATOM 375 CD1 LEU A 25 21.700 -13.635 -1.679 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.128 -14.179 -1.474 1.00 0.00 C ATOM 0 H LEU A 25 20.592 -12.480 0.623 1.00 0.00 H new ATOM 0 HA LEU A 25 21.906 -14.964 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.620 -12.296 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.886 -13.335 0.897 1.00 0.00 H new ATOM 0 HG LEU A 25 22.527 -15.217 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.638 -14.250 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.739 -13.645 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.953 -12.612 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.066 -14.794 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.381 -13.156 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 25 24.899 -14.577 -0.814 1.00 0.00 H new ATOM 388 N ALA A 26 23.132 -14.124 3.641 1.00 0.00 N ATOM 389 CA ALA A 26 23.555 -13.703 5.008 1.00 0.00 C ATOM 390 C ALA A 26 24.438 -12.457 4.930 1.00 0.00 C ATOM 391 O ALA A 26 24.265 -11.514 5.676 1.00 0.00 O ATOM 392 CB ALA A 26 24.346 -14.889 5.563 1.00 0.00 C ATOM 0 H ALA A 26 23.537 -15.000 3.311 1.00 0.00 H new ATOM 0 HA ALA A 26 22.705 -13.449 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.693 -14.656 6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.706 -15.771 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.204 -15.087 4.921 1.00 0.00 H new ATOM 398 N GLU A 27 25.381 -12.443 4.028 1.00 0.00 N ATOM 399 CA GLU A 27 26.269 -11.254 3.900 1.00 0.00 C ATOM 400 C GLU A 27 25.430 -10.001 3.659 1.00 0.00 C ATOM 401 O GLU A 27 25.705 -8.944 4.191 1.00 0.00 O ATOM 402 CB GLU A 27 27.150 -11.548 2.689 1.00 0.00 C ATOM 403 CG GLU A 27 28.393 -10.657 2.729 1.00 0.00 C ATOM 404 CD GLU A 27 29.155 -10.783 1.409 1.00 0.00 C ATOM 405 OE1 GLU A 27 28.526 -11.097 0.411 1.00 0.00 O ATOM 406 OE2 GLU A 27 30.355 -10.563 1.417 1.00 0.00 O ATOM 0 H GLU A 27 25.574 -13.203 3.375 1.00 0.00 H new ATOM 0 HA GLU A 27 26.859 -11.077 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.443 -12.598 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 27 26.592 -11.370 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.104 -9.619 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 27 29.035 -10.948 3.561 1.00 0.00 H new ATOM 413 N GLU A 28 24.402 -10.113 2.865 1.00 0.00 N ATOM 414 CA GLU A 28 23.541 -8.929 2.598 1.00 0.00 C ATOM 415 C GLU A 28 22.962 -8.422 3.916 1.00 0.00 C ATOM 416 O GLU A 28 22.905 -7.235 4.169 1.00 0.00 O ATOM 417 CB GLU A 28 22.433 -9.440 1.680 1.00 0.00 C ATOM 418 CG GLU A 28 22.757 -9.063 0.234 1.00 0.00 C ATOM 419 CD GLU A 28 21.511 -8.478 -0.432 1.00 0.00 C ATOM 420 OE1 GLU A 28 20.636 -9.250 -0.787 1.00 0.00 O ATOM 421 OE2 GLU A 28 21.453 -7.269 -0.577 1.00 0.00 O ATOM 0 H GLU A 28 24.122 -10.971 2.391 1.00 0.00 H new ATOM 0 HA GLU A 28 24.086 -8.103 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.339 -10.522 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.475 -9.010 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.570 -8.337 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.097 -9.941 -0.315 1.00 0.00 H new ATOM 428 N LEU A 29 22.545 -9.320 4.763 1.00 0.00 N ATOM 429 CA LEU A 29 21.984 -8.903 6.074 1.00 0.00 C ATOM 430 C LEU A 29 23.054 -8.155 6.870 1.00 0.00 C ATOM 431 O LEU A 29 22.765 -7.236 7.609 1.00 0.00 O ATOM 432 CB LEU A 29 21.602 -10.208 6.775 1.00 0.00 C ATOM 433 CG LEU A 29 20.094 -10.431 6.660 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.364 -9.453 7.581 1.00 0.00 C ATOM 435 CD2 LEU A 29 19.650 -10.196 5.214 1.00 0.00 C ATOM 0 H LEU A 29 22.569 -10.327 4.602 1.00 0.00 H new ATOM 0 HA LEU A 29 21.128 -8.236 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 29 22.138 -11.044 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.895 -10.168 7.824 1.00 0.00 H new ATOM 0 HG LEU A 29 19.855 -11.454 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.289 -9.611 7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.679 -9.619 8.611 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.604 -8.430 7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.575 -10.355 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.888 -9.173 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.170 -10.892 4.556 1.00 0.00 H new ATOM 447 N ARG A 30 24.292 -8.541 6.717 1.00 0.00 N ATOM 448 CA ARG A 30 25.385 -7.851 7.456 1.00 0.00 C ATOM 449 C ARG A 30 25.572 -6.427 6.922 1.00 0.00 C ATOM 450 O ARG A 30 25.906 -5.517 7.655 1.00 0.00 O ATOM 451 CB ARG A 30 26.635 -8.689 7.184 1.00 0.00 C ATOM 452 CG ARG A 30 26.557 -10.003 7.965 1.00 0.00 C ATOM 453 CD ARG A 30 27.450 -9.917 9.205 1.00 0.00 C ATOM 454 NE ARG A 30 28.843 -9.949 8.678 1.00 0.00 N ATOM 455 CZ ARG A 30 29.360 -11.071 8.252 1.00 0.00 C ATOM 456 NH1 ARG A 30 28.655 -12.170 8.275 1.00 0.00 N ATOM 457 NH2 ARG A 30 30.584 -11.093 7.799 1.00 0.00 N ATOM 0 H ARG A 30 24.593 -9.305 6.112 1.00 0.00 H new ATOM 0 HA ARG A 30 25.171 -7.766 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.722 -8.894 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.527 -8.134 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.527 -10.202 8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.874 -10.833 7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.261 -9.001 9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.265 -10.750 9.883 1.00 0.00 H new ATOM 0 HE ARG A 30 29.395 -9.092 8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.698 -12.154 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 30 29.062 -13.044 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 30 31.135 -10.235 7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 30 30.989 -11.968 7.466 1.00 0.00 H new ATOM 471 N ARG A 31 25.375 -6.229 5.645 1.00 0.00 N ATOM 472 CA ARG A 31 25.561 -4.866 5.063 1.00 0.00 C ATOM 473 C ARG A 31 24.225 -4.123 4.939 1.00 0.00 C ATOM 474 O ARG A 31 24.185 -2.909 4.917 1.00 0.00 O ATOM 475 CB ARG A 31 26.160 -5.111 3.676 1.00 0.00 C ATOM 476 CG ARG A 31 27.327 -4.149 3.446 1.00 0.00 C ATOM 477 CD ARG A 31 28.550 -4.934 2.968 1.00 0.00 C ATOM 478 NE ARG A 31 28.309 -5.178 1.517 1.00 0.00 N ATOM 479 CZ ARG A 31 28.560 -4.241 0.641 1.00 0.00 C ATOM 480 NH1 ARG A 31 29.009 -3.078 1.030 1.00 0.00 N ATOM 481 NH2 ARG A 31 28.360 -4.469 -0.630 1.00 0.00 N ATOM 0 H ARG A 31 25.094 -6.950 4.981 1.00 0.00 H new ATOM 0 HA ARG A 31 26.198 -4.246 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.503 -6.142 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.399 -4.966 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.052 -3.398 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.561 -3.617 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 31 29.468 -4.369 3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.655 -5.872 3.514 1.00 0.00 H new ATOM 0 HE ARG A 31 27.947 -6.080 1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 31 29.165 -2.897 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 31 29.203 -2.350 0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 31 28.009 -5.376 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 31 28.555 -3.740 -1.316 1.00 0.00 H new ATOM 495 N GLU A 32 23.134 -4.832 4.837 1.00 0.00 N ATOM 496 CA GLU A 32 21.816 -4.143 4.690 1.00 0.00 C ATOM 497 C GLU A 32 21.156 -3.899 6.052 1.00 0.00 C ATOM 498 O GLU A 32 20.326 -3.022 6.193 1.00 0.00 O ATOM 499 CB GLU A 32 20.966 -5.099 3.853 1.00 0.00 C ATOM 500 CG GLU A 32 21.669 -5.379 2.525 1.00 0.00 C ATOM 501 CD GLU A 32 21.313 -4.284 1.518 1.00 0.00 C ATOM 502 OE1 GLU A 32 21.027 -3.180 1.950 1.00 0.00 O ATOM 503 OE2 GLU A 32 21.332 -4.569 0.331 1.00 0.00 O ATOM 0 H GLU A 32 23.096 -5.851 4.849 1.00 0.00 H new ATOM 0 HA GLU A 32 21.927 -3.163 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.807 -6.031 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.983 -4.664 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 32 22.748 -5.415 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 32 21.368 -6.353 2.140 1.00 0.00 H new ATOM 510 N LEU A 33 21.498 -4.663 7.052 1.00 0.00 N ATOM 511 CA LEU A 33 20.863 -4.460 8.381 1.00 0.00 C ATOM 512 C LEU A 33 21.923 -4.217 9.456 1.00 0.00 C ATOM 513 O LEU A 33 23.089 -4.492 9.256 1.00 0.00 O ATOM 514 CB LEU A 33 20.119 -5.764 8.647 1.00 0.00 C ATOM 515 CG LEU A 33 18.673 -5.630 8.163 1.00 0.00 C ATOM 516 CD1 LEU A 33 18.031 -7.014 8.078 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.883 -4.763 9.146 1.00 0.00 C ATOM 0 H LEU A 33 22.186 -5.415 7.006 1.00 0.00 H new ATOM 0 HA LEU A 33 20.204 -3.592 8.398 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.612 -6.589 8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.138 -5.996 9.712 1.00 0.00 H new ATOM 0 HG LEU A 33 18.664 -5.164 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.002 -6.917 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.592 -7.633 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.041 -7.481 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.853 -4.668 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.894 -5.228 10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.338 -3.774 9.206 1.00 0.00 H new ATOM 529 N PRO A 34 21.472 -3.704 10.569 1.00 0.00 N ATOM 530 CA PRO A 34 22.423 -3.432 11.680 1.00 0.00 C ATOM 531 C PRO A 34 23.075 -4.738 12.143 1.00 0.00 C ATOM 532 O PRO A 34 22.423 -5.759 12.236 1.00 0.00 O ATOM 533 CB PRO A 34 21.557 -2.834 12.791 1.00 0.00 C ATOM 534 CG PRO A 34 20.276 -2.440 12.131 1.00 0.00 C ATOM 535 CD PRO A 34 20.101 -3.344 10.946 1.00 0.00 C ATOM 0 HA PRO A 34 23.232 -2.763 11.388 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.382 -3.559 13.586 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.044 -1.973 13.248 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.439 -2.542 12.821 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.307 -1.396 11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.512 -4.226 11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.583 -2.838 10.131 1.00 0.00 H new ATOM 543 N PRO A 35 24.349 -4.657 12.414 1.00 0.00 N ATOM 544 CA PRO A 35 25.075 -5.874 12.867 1.00 0.00 C ATOM 545 C PRO A 35 24.208 -6.688 13.832 1.00 0.00 C ATOM 546 O PRO A 35 24.165 -7.901 13.773 1.00 0.00 O ATOM 547 CB PRO A 35 26.310 -5.331 13.583 1.00 0.00 C ATOM 548 CG PRO A 35 25.959 -3.931 13.964 1.00 0.00 C ATOM 549 CD PRO A 35 24.959 -3.435 12.955 1.00 0.00 C ATOM 0 HA PRO A 35 25.330 -6.540 12.043 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.550 -5.929 14.462 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.184 -5.354 12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.540 -3.899 14.970 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.847 -3.299 13.969 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.213 -2.790 13.419 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.442 -2.851 12.171 1.00 0.00 H new ATOM 557 N ASP A 36 23.525 -6.029 14.726 1.00 0.00 N ATOM 558 CA ASP A 36 22.668 -6.759 15.704 1.00 0.00 C ATOM 559 C ASP A 36 21.500 -7.459 14.999 1.00 0.00 C ATOM 560 O ASP A 36 21.109 -8.550 15.367 1.00 0.00 O ATOM 561 CB ASP A 36 22.147 -5.681 16.654 1.00 0.00 C ATOM 562 CG ASP A 36 22.142 -6.223 18.085 1.00 0.00 C ATOM 563 OD1 ASP A 36 23.114 -6.856 18.461 1.00 0.00 O ATOM 564 OD2 ASP A 36 21.164 -5.996 18.778 1.00 0.00 O ATOM 0 H ASP A 36 23.523 -5.014 14.822 1.00 0.00 H new ATOM 0 HA ASP A 36 23.225 -7.538 16.225 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.775 -4.792 16.592 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.140 -5.381 16.364 1.00 0.00 H new ATOM 569 N GLN A 37 20.932 -6.846 13.997 1.00 0.00 N ATOM 570 CA GLN A 37 19.786 -7.488 13.290 1.00 0.00 C ATOM 571 C GLN A 37 20.263 -8.703 12.495 1.00 0.00 C ATOM 572 O GLN A 37 19.624 -9.737 12.480 1.00 0.00 O ATOM 573 CB GLN A 37 19.239 -6.409 12.356 1.00 0.00 C ATOM 574 CG GLN A 37 17.717 -6.348 12.490 1.00 0.00 C ATOM 575 CD GLN A 37 17.245 -4.912 12.271 1.00 0.00 C ATOM 576 OE1 GLN A 37 16.442 -4.652 11.397 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.715 -3.958 13.029 1.00 0.00 N ATOM 0 H GLN A 37 21.210 -5.933 13.638 1.00 0.00 H new ATOM 0 HA GLN A 37 19.025 -7.848 13.983 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.676 -5.442 12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 37 19.516 -6.630 11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.250 -7.011 11.762 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.414 -6.695 13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.389 -4.175 13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 37 17.408 -2.996 12.887 1.00 0.00 H new ATOM 586 N ALA A 38 21.379 -8.590 11.832 1.00 0.00 N ATOM 587 CA ALA A 38 21.892 -9.741 11.036 1.00 0.00 C ATOM 588 C ALA A 38 22.044 -10.977 11.927 1.00 0.00 C ATOM 589 O ALA A 38 21.609 -12.058 11.583 1.00 0.00 O ATOM 590 CB ALA A 38 23.254 -9.284 10.517 1.00 0.00 C ATOM 0 H ALA A 38 21.959 -7.751 11.806 1.00 0.00 H new ATOM 0 HA ALA A 38 21.217 -10.017 10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.700 -10.078 9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 38 23.129 -8.393 9.902 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.906 -9.054 11.360 1.00 0.00 H new ATOM 596 N GLN A 39 22.659 -10.831 13.066 1.00 0.00 N ATOM 597 CA GLN A 39 22.839 -12.006 13.969 1.00 0.00 C ATOM 598 C GLN A 39 21.485 -12.645 14.293 1.00 0.00 C ATOM 599 O GLN A 39 21.317 -13.844 14.190 1.00 0.00 O ATOM 600 CB GLN A 39 23.481 -11.441 15.236 1.00 0.00 C ATOM 601 CG GLN A 39 24.593 -12.382 15.705 1.00 0.00 C ATOM 602 CD GLN A 39 25.219 -11.835 16.989 1.00 0.00 C ATOM 603 OE1 GLN A 39 25.750 -10.742 17.000 1.00 0.00 O ATOM 604 NE2 GLN A 39 25.177 -12.552 18.077 1.00 0.00 N ATOM 0 H GLN A 39 23.045 -9.953 13.412 1.00 0.00 H new ATOM 0 HA GLN A 39 23.453 -12.782 13.512 1.00 0.00 H new ATOM 0 HB2 GLN A 39 23.888 -10.449 15.040 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.730 -11.329 16.018 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.190 -13.379 15.881 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.353 -12.478 14.930 1.00 0.00 H new ATOM 0 HE21 GLN A 39 24.731 -13.469 18.066 1.00 0.00 H new ATOM 0 HE22 GLN A 39 25.590 -12.196 18.939 1.00 0.00 H new ATOM 613 N TYR A 40 20.519 -11.859 14.683 1.00 0.00 N ATOM 614 CA TYR A 40 19.183 -12.434 15.010 1.00 0.00 C ATOM 615 C TYR A 40 18.573 -13.088 13.767 1.00 0.00 C ATOM 616 O TYR A 40 18.100 -14.206 13.810 1.00 0.00 O ATOM 617 CB TYR A 40 18.335 -11.245 15.461 1.00 0.00 C ATOM 618 CG TYR A 40 17.355 -11.701 16.515 1.00 0.00 C ATOM 619 CD1 TYR A 40 17.746 -11.754 17.858 1.00 0.00 C ATOM 620 CD2 TYR A 40 16.056 -12.074 16.148 1.00 0.00 C ATOM 621 CE1 TYR A 40 16.837 -12.179 18.835 1.00 0.00 C ATOM 622 CE2 TYR A 40 15.148 -12.500 17.125 1.00 0.00 C ATOM 623 CZ TYR A 40 15.539 -12.552 18.469 1.00 0.00 C ATOM 624 OH TYR A 40 14.644 -12.972 19.432 1.00 0.00 O ATOM 0 H TYR A 40 20.596 -10.847 14.789 1.00 0.00 H new ATOM 0 HA TYR A 40 19.243 -13.204 15.779 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.975 -10.458 15.860 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.801 -10.821 14.611 1.00 0.00 H new ATOM 0 HD1 TYR A 40 18.748 -11.467 18.141 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.755 -12.033 15.112 1.00 0.00 H new ATOM 0 HE1 TYR A 40 17.138 -12.219 19.871 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.146 -12.788 16.842 1.00 0.00 H new ATOM 0 HH TYR A 40 14.848 -12.531 20.283 1.00 0.00 H new ATOM 634 N CYS A 41 18.585 -12.400 12.658 1.00 0.00 N ATOM 635 CA CYS A 41 18.012 -12.985 11.413 1.00 0.00 C ATOM 636 C CYS A 41 18.837 -14.197 10.975 1.00 0.00 C ATOM 637 O CYS A 41 18.305 -15.243 10.661 1.00 0.00 O ATOM 638 CB CYS A 41 18.106 -11.870 10.372 1.00 0.00 C ATOM 639 SG CYS A 41 17.307 -10.377 11.011 1.00 0.00 S ATOM 0 H CYS A 41 18.966 -11.459 12.560 1.00 0.00 H new ATOM 0 HA CYS A 41 16.987 -13.329 11.550 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.150 -11.664 10.138 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.627 -12.183 9.444 1.00 0.00 H new ATOM 0 HG CYS A 41 18.077 -9.819 11.898 1.00 0.00 H new ATOM 645 N ILE A 42 20.135 -14.061 10.953 1.00 0.00 N ATOM 646 CA ILE A 42 20.999 -15.202 10.538 1.00 0.00 C ATOM 647 C ILE A 42 20.733 -16.416 11.432 1.00 0.00 C ATOM 648 O ILE A 42 20.991 -17.543 11.059 1.00 0.00 O ATOM 649 CB ILE A 42 22.430 -14.699 10.730 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.717 -13.582 9.720 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.413 -15.852 10.513 1.00 0.00 C ATOM 652 CD1 ILE A 42 22.917 -14.180 8.327 1.00 0.00 C ATOM 0 H ILE A 42 20.635 -13.208 11.205 1.00 0.00 H new ATOM 0 HA ILE A 42 20.809 -15.515 9.511 1.00 0.00 H new ATOM 0 HB ILE A 42 22.546 -14.312 11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 42 21.890 -12.872 9.705 1.00 0.00 H new ATOM 0 HG13 ILE A 42 23.607 -13.029 10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.433 -15.492 10.650 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.208 -16.645 11.232 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.299 -16.242 9.501 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.121 -13.381 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.758 -14.873 8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 42 22.015 -14.713 8.027 1.00 0.00 H new ATOM 664 N LYS A 43 20.222 -16.193 12.612 1.00 0.00 N ATOM 665 CA LYS A 43 19.941 -17.331 13.531 1.00 0.00 C ATOM 666 C LYS A 43 18.574 -17.944 13.218 1.00 0.00 C ATOM 667 O LYS A 43 18.316 -19.094 13.513 1.00 0.00 O ATOM 668 CB LYS A 43 19.944 -16.719 14.930 1.00 0.00 C ATOM 669 CG LYS A 43 19.900 -17.834 15.976 1.00 0.00 C ATOM 670 CD LYS A 43 20.565 -17.350 17.266 1.00 0.00 C ATOM 671 CE LYS A 43 20.136 -18.249 18.428 1.00 0.00 C ATOM 672 NZ LYS A 43 21.262 -18.182 19.401 1.00 0.00 N ATOM 0 H LYS A 43 19.987 -15.271 12.979 1.00 0.00 H new ATOM 0 HA LYS A 43 20.676 -18.130 13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.837 -16.110 15.070 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.085 -16.058 15.051 1.00 0.00 H new ATOM 0 HG2 LYS A 43 18.867 -18.122 16.173 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.412 -18.720 15.600 1.00 0.00 H new ATOM 0 HD2 LYS A 43 21.649 -17.369 17.158 1.00 0.00 H new ATOM 0 HD3 LYS A 43 20.283 -16.317 17.468 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.206 -17.899 18.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.964 -19.272 18.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 21.042 -18.774 20.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 22.133 -18.528 18.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 21.398 -17.197 19.707 1.00 0.00 H new ATOM 686 N ARG A 44 17.695 -17.184 12.626 1.00 0.00 N ATOM 687 CA ARG A 44 16.345 -17.723 12.298 1.00 0.00 C ATOM 688 C ARG A 44 16.325 -18.269 10.869 1.00 0.00 C ATOM 689 O ARG A 44 16.203 -19.459 10.655 1.00 0.00 O ATOM 690 CB ARG A 44 15.402 -16.527 12.431 1.00 0.00 C ATOM 691 CG ARG A 44 15.113 -16.268 13.911 1.00 0.00 C ATOM 692 CD ARG A 44 14.440 -17.500 14.520 1.00 0.00 C ATOM 693 NE ARG A 44 13.461 -16.959 15.501 1.00 0.00 N ATOM 694 CZ ARG A 44 12.631 -17.765 16.109 1.00 0.00 C ATOM 695 NH1 ARG A 44 12.666 -19.048 15.870 1.00 0.00 N ATOM 696 NH2 ARG A 44 11.765 -17.286 16.960 1.00 0.00 N ATOM 0 H ARG A 44 17.853 -16.213 12.355 1.00 0.00 H new ATOM 0 HA ARG A 44 16.057 -18.545 12.953 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.851 -15.644 11.977 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.472 -16.722 11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.040 -16.047 14.441 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.468 -15.396 14.020 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.943 -18.097 13.755 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.169 -18.148 15.006 1.00 0.00 H new ATOM 0 HE ARG A 44 13.438 -15.959 15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.343 -19.425 15.207 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.016 -19.673 16.347 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.737 -16.284 17.150 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.116 -17.914 17.435 1.00 0.00 H new ATOM 710 N MET A 45 16.439 -17.406 9.894 1.00 0.00 N ATOM 711 CA MET A 45 16.427 -17.859 8.471 1.00 0.00 C ATOM 712 C MET A 45 17.149 -19.201 8.316 1.00 0.00 C ATOM 713 O MET A 45 18.362 -19.262 8.353 1.00 0.00 O ATOM 714 CB MET A 45 17.173 -16.766 7.711 1.00 0.00 C ATOM 715 CG MET A 45 16.360 -16.358 6.484 1.00 0.00 C ATOM 716 SD MET A 45 16.731 -14.640 6.052 1.00 0.00 S ATOM 717 CE MET A 45 15.847 -13.863 7.425 1.00 0.00 C ATOM 0 H MET A 45 16.541 -16.399 10.023 1.00 0.00 H new ATOM 0 HA MET A 45 15.413 -18.009 8.101 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.335 -15.903 8.357 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.156 -17.125 7.407 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.595 -17.013 5.645 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.295 -16.470 6.687 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.234 -13.045 7.047 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.208 -14.601 7.910 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.565 -13.474 8.147 1.00 0.00 H new ATOM 727 N PRO A 46 16.371 -20.233 8.134 1.00 0.00 N ATOM 728 CA PRO A 46 16.983 -21.577 7.961 1.00 0.00 C ATOM 729 C PRO A 46 17.664 -21.664 6.593 1.00 0.00 C ATOM 730 O PRO A 46 17.992 -20.663 5.990 1.00 0.00 O ATOM 731 CB PRO A 46 15.807 -22.548 8.044 1.00 0.00 C ATOM 732 CG PRO A 46 14.715 -21.787 8.719 1.00 0.00 C ATOM 733 CD PRO A 46 14.931 -20.334 8.402 1.00 0.00 C ATOM 0 HA PRO A 46 17.745 -21.796 8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.500 -22.880 7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 46 16.073 -23.440 8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.739 -22.118 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.737 -21.954 9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.343 -20.023 7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.635 -19.697 9.235 1.00 0.00 H new ATOM 859 N ALA A 57 21.973 -19.174 0.660 1.00 0.00 N ATOM 860 CA ALA A 57 20.598 -18.637 0.453 1.00 0.00 C ATOM 861 C ALA A 57 19.698 -19.012 1.635 1.00 0.00 C ATOM 862 O ALA A 57 19.426 -20.171 1.879 1.00 0.00 O ATOM 863 CB ALA A 57 20.103 -19.303 -0.831 1.00 0.00 C ATOM 0 HA ALA A 57 20.586 -17.550 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.093 -18.959 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.766 -19.041 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.097 -20.385 -0.701 1.00 0.00 H new ATOM 869 N LEU A 58 19.231 -18.038 2.369 1.00 0.00 N ATOM 870 CA LEU A 58 18.346 -18.338 3.533 1.00 0.00 C ATOM 871 C LEU A 58 16.925 -17.843 3.257 1.00 0.00 C ATOM 872 O LEU A 58 16.709 -16.965 2.445 1.00 0.00 O ATOM 873 CB LEU A 58 18.959 -17.571 4.705 1.00 0.00 C ATOM 874 CG LEU A 58 20.406 -18.018 4.909 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.328 -16.799 4.859 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.539 -18.701 6.272 1.00 0.00 C ATOM 0 H LEU A 58 19.423 -17.048 2.214 1.00 0.00 H new ATOM 0 HA LEU A 58 18.278 -19.407 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.923 -16.499 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.381 -17.750 5.612 1.00 0.00 H new ATOM 0 HG LEU A 58 20.686 -18.718 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.360 -17.117 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.232 -16.310 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 58 21.050 -16.100 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.571 -19.021 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.260 -18.000 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.881 -19.569 6.310 1.00 0.00 H new ATOM 888 N ASP A 59 15.952 -18.392 3.932 1.00 0.00 N ATOM 889 CA ASP A 59 14.546 -17.940 3.704 1.00 0.00 C ATOM 890 C ASP A 59 14.026 -17.182 4.924 1.00 0.00 C ATOM 891 O ASP A 59 13.805 -17.751 5.975 1.00 0.00 O ATOM 892 CB ASP A 59 13.726 -19.216 3.486 1.00 0.00 C ATOM 893 CG ASP A 59 14.172 -20.299 4.470 1.00 0.00 C ATOM 894 OD1 ASP A 59 13.644 -20.327 5.570 1.00 0.00 O ATOM 895 OD2 ASP A 59 15.034 -21.083 4.108 1.00 0.00 O ATOM 0 H ASP A 59 16.066 -19.129 4.627 1.00 0.00 H new ATOM 0 HA ASP A 59 14.477 -17.266 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.665 -19.004 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.852 -19.569 2.462 1.00 0.00 H new ATOM 900 N TYR A 60 13.815 -15.902 4.791 1.00 0.00 N ATOM 901 CA TYR A 60 13.295 -15.107 5.937 1.00 0.00 C ATOM 902 C TYR A 60 11.817 -15.430 6.142 1.00 0.00 C ATOM 903 O TYR A 60 11.282 -15.293 7.224 1.00 0.00 O ATOM 904 CB TYR A 60 13.477 -13.649 5.518 1.00 0.00 C ATOM 905 CG TYR A 60 12.739 -13.402 4.224 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.346 -13.271 4.227 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.448 -13.307 3.019 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.660 -13.045 3.027 1.00 0.00 C ATOM 909 CE2 TYR A 60 12.762 -13.081 1.819 1.00 0.00 C ATOM 910 CZ TYR A 60 11.368 -12.950 1.823 1.00 0.00 C ATOM 911 OH TYR A 60 10.692 -12.728 0.641 1.00 0.00 O ATOM 0 H TYR A 60 13.981 -15.372 3.936 1.00 0.00 H new ATOM 0 HA TYR A 60 13.809 -15.322 6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.100 -12.986 6.297 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.536 -13.425 5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.799 -13.344 5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.523 -13.408 3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.585 -12.944 3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.308 -13.008 0.890 1.00 0.00 H new ATOM 0 HH TYR A 60 11.333 -12.688 -0.100 1.00 0.00 H new ATOM 921 N ALA A 61 11.156 -15.869 5.106 1.00 0.00 N ATOM 922 CA ALA A 61 9.713 -16.214 5.231 1.00 0.00 C ATOM 923 C ALA A 61 9.525 -17.261 6.329 1.00 0.00 C ATOM 924 O ALA A 61 8.616 -17.179 7.130 1.00 0.00 O ATOM 925 CB ALA A 61 9.325 -16.789 3.868 1.00 0.00 C ATOM 0 H ALA A 61 11.555 -16.004 4.177 1.00 0.00 H new ATOM 0 HA ALA A 61 9.099 -15.354 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.272 -17.069 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.494 -16.039 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.932 -17.669 3.658 1.00 0.00 H new ATOM 931 N ALA A 62 10.382 -18.245 6.374 1.00 0.00 N ATOM 932 CA ALA A 62 10.250 -19.290 7.428 1.00 0.00 C ATOM 933 C ALA A 62 10.340 -18.648 8.809 1.00 0.00 C ATOM 934 O ALA A 62 9.621 -18.998 9.724 1.00 0.00 O ATOM 935 CB ALA A 62 11.424 -20.241 7.196 1.00 0.00 C ATOM 0 H ALA A 62 11.163 -18.370 5.730 1.00 0.00 H new ATOM 0 HA ALA A 62 9.294 -19.812 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.396 -21.041 7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.354 -20.669 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.361 -19.692 7.291 1.00 0.00 H new ATOM 941 N PHE A 63 11.220 -17.706 8.958 1.00 0.00 N ATOM 942 CA PHE A 63 11.376 -17.018 10.272 1.00 0.00 C ATOM 943 C PHE A 63 10.180 -16.098 10.538 1.00 0.00 C ATOM 944 O PHE A 63 9.746 -15.938 11.661 1.00 0.00 O ATOM 945 CB PHE A 63 12.662 -16.200 10.142 1.00 0.00 C ATOM 946 CG PHE A 63 12.783 -15.256 11.315 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.146 -15.554 12.526 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.537 -14.081 11.193 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.261 -14.680 13.614 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.652 -13.207 12.281 1.00 0.00 C ATOM 951 CZ PHE A 63 13.014 -13.506 13.490 1.00 0.00 C ATOM 0 H PHE A 63 11.845 -17.377 8.223 1.00 0.00 H new ATOM 0 HA PHE A 63 11.423 -17.723 11.102 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.525 -16.864 10.106 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.654 -15.637 9.209 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.565 -16.459 12.621 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.029 -13.850 10.260 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.770 -14.911 14.548 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.233 -12.302 12.187 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.102 -12.831 14.328 1.00 0.00 H new ATOM 961 N SER A 64 9.648 -15.488 9.514 1.00 0.00 N ATOM 962 CA SER A 64 8.485 -14.573 9.712 1.00 0.00 C ATOM 963 C SER A 64 7.318 -15.323 10.361 1.00 0.00 C ATOM 964 O SER A 64 6.672 -14.824 11.260 1.00 0.00 O ATOM 965 CB SER A 64 8.107 -14.105 8.308 1.00 0.00 C ATOM 966 OG SER A 64 9.195 -13.384 7.744 1.00 0.00 O ATOM 0 H SER A 64 9.967 -15.583 8.550 1.00 0.00 H new ATOM 0 HA SER A 64 8.727 -13.738 10.370 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.860 -14.962 7.681 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.220 -13.473 8.349 1.00 0.00 H new ATOM 0 HG SER A 64 9.887 -14.013 7.450 1.00 0.00 H new ATOM 972 N SER A 65 7.040 -16.516 9.911 1.00 0.00 N ATOM 973 CA SER A 65 5.912 -17.292 10.503 1.00 0.00 C ATOM 974 C SER A 65 6.168 -17.549 11.991 1.00 0.00 C ATOM 975 O SER A 65 5.272 -17.465 12.808 1.00 0.00 O ATOM 976 CB SER A 65 5.889 -18.609 9.729 1.00 0.00 C ATOM 977 OG SER A 65 7.189 -18.881 9.224 1.00 0.00 O ATOM 0 H SER A 65 7.544 -16.987 9.160 1.00 0.00 H new ATOM 0 HA SER A 65 4.963 -16.760 10.432 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.562 -19.420 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.173 -18.550 8.909 1.00 0.00 H new ATOM 0 HG SER A 65 7.838 -18.849 9.957 1.00 0.00 H new ATOM 983 N ALA A 66 7.383 -17.862 12.348 1.00 0.00 N ATOM 984 CA ALA A 66 7.695 -18.127 13.783 1.00 0.00 C ATOM 985 C ALA A 66 7.661 -16.825 14.587 1.00 0.00 C ATOM 986 O ALA A 66 7.319 -16.814 15.754 1.00 0.00 O ATOM 987 CB ALA A 66 9.106 -18.716 13.778 1.00 0.00 C ATOM 0 H ALA A 66 8.174 -17.946 11.709 1.00 0.00 H new ATOM 0 HA ALA A 66 6.971 -18.800 14.243 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.411 -18.939 14.800 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.116 -19.633 13.188 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.799 -17.997 13.342 1.00 0.00 H new ATOM 993 N LEU A 67 8.015 -15.727 13.978 1.00 0.00 N ATOM 994 CA LEU A 67 8.004 -14.430 14.716 1.00 0.00 C ATOM 995 C LEU A 67 6.575 -14.060 15.123 1.00 0.00 C ATOM 996 O LEU A 67 6.326 -13.642 16.235 1.00 0.00 O ATOM 997 CB LEU A 67 8.563 -13.406 13.726 1.00 0.00 C ATOM 998 CG LEU A 67 9.733 -12.660 14.369 1.00 0.00 C ATOM 999 CD1 LEU A 67 10.236 -11.577 13.415 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.267 -12.012 15.674 1.00 0.00 C ATOM 0 H LEU A 67 8.311 -15.670 13.004 1.00 0.00 H new ATOM 0 HA LEU A 67 8.591 -14.474 15.633 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.893 -13.907 12.816 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.784 -12.701 13.437 1.00 0.00 H new ATOM 0 HG LEU A 67 10.540 -13.362 14.578 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.070 -11.046 13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.568 -12.037 12.484 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.430 -10.874 13.205 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.100 -11.480 16.134 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.460 -11.310 15.464 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.909 -12.783 16.356 1.00 0.00 H new ATOM 1012 N TYR A 68 5.635 -14.209 14.231 1.00 0.00 N ATOM 1013 CA TYR A 68 4.225 -13.864 14.569 1.00 0.00 C ATOM 1014 C TYR A 68 3.438 -15.131 14.920 1.00 0.00 C ATOM 1015 O TYR A 68 2.467 -15.088 15.648 1.00 0.00 O ATOM 1016 CB TYR A 68 3.663 -13.214 13.305 1.00 0.00 C ATOM 1017 CG TYR A 68 4.042 -11.753 13.284 1.00 0.00 C ATOM 1018 CD1 TYR A 68 3.241 -10.812 13.943 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.194 -11.338 12.604 1.00 0.00 C ATOM 1020 CE1 TYR A 68 3.595 -9.457 13.923 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.546 -9.984 12.585 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.747 -9.043 13.244 1.00 0.00 C ATOM 1023 OH TYR A 68 5.094 -7.708 13.225 1.00 0.00 O ATOM 0 H TYR A 68 5.782 -14.555 13.283 1.00 0.00 H new ATOM 0 HA TYR A 68 4.157 -13.202 15.432 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.054 -13.716 12.420 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.579 -13.321 13.279 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.351 -11.131 14.466 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.811 -12.063 12.094 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.979 -8.731 14.432 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.435 -9.665 12.061 1.00 0.00 H new ATOM 0 HH TYR A 68 5.921 -7.592 12.711 1.00 0.00 H new ATOM 1105 N LYS B 8 12.318 1.860 -2.269 1.00 0.00 N ATOM 1106 CA LYS B 8 11.831 2.033 -0.870 1.00 0.00 C ATOM 1107 C LYS B 8 12.573 1.078 0.068 1.00 0.00 C ATOM 1108 O LYS B 8 12.018 0.578 1.026 1.00 0.00 O ATOM 1109 CB LYS B 8 10.343 1.687 -0.922 1.00 0.00 C ATOM 1110 CG LYS B 8 10.173 0.197 -1.229 1.00 0.00 C ATOM 1111 CD LYS B 8 9.085 0.014 -2.288 1.00 0.00 C ATOM 1112 CE LYS B 8 7.943 -0.823 -1.709 1.00 0.00 C ATOM 1113 NZ LYS B 8 7.057 0.157 -1.022 1.00 0.00 N ATOM 0 HA LYS B 8 12.000 3.042 -0.495 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.870 1.929 0.030 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.847 2.285 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.115 -0.222 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.906 -0.344 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS B 8 8.710 0.985 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.499 -0.477 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS B 8 7.407 -1.357 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS B 8 8.317 -1.573 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.249 -0.343 -0.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 7.592 0.645 -0.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.710 0.854 -1.711 1.00 0.00 H new ATOM 1127 N LYS B 9 13.824 0.821 -0.201 1.00 0.00 N ATOM 1128 CA LYS B 9 14.599 -0.103 0.676 1.00 0.00 C ATOM 1129 C LYS B 9 14.608 0.419 2.115 1.00 0.00 C ATOM 1130 O LYS B 9 14.483 -0.335 3.059 1.00 0.00 O ATOM 1131 CB LYS B 9 16.013 -0.106 0.096 1.00 0.00 C ATOM 1132 CG LYS B 9 16.506 -1.548 -0.033 1.00 0.00 C ATOM 1133 CD LYS B 9 18.033 -1.575 0.062 1.00 0.00 C ATOM 1134 CE LYS B 9 18.587 -2.618 -0.911 1.00 0.00 C ATOM 1135 NZ LYS B 9 18.855 -1.866 -2.168 1.00 0.00 N ATOM 0 H LYS B 9 14.342 1.210 -0.989 1.00 0.00 H new ATOM 0 HA LYS B 9 14.169 -1.104 0.705 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.019 0.381 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.683 0.463 0.740 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.071 -2.164 0.754 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.183 -1.971 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.440 -0.591 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.340 -1.813 1.080 1.00 0.00 H new ATOM 0 HE2 LYS B 9 19.497 -3.076 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS B 9 17.871 -3.423 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 19.238 -2.514 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 17.970 -1.447 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.545 -1.111 -1.980 1.00 0.00 H new ATOM 1149 N ALA B 10 14.750 1.705 2.290 1.00 0.00 N ATOM 1150 CA ALA B 10 14.761 2.272 3.668 1.00 0.00 C ATOM 1151 C ALA B 10 13.482 1.872 4.408 1.00 0.00 C ATOM 1152 O ALA B 10 13.519 1.441 5.543 1.00 0.00 O ATOM 1153 CB ALA B 10 14.817 3.786 3.474 1.00 0.00 C ATOM 0 H ALA B 10 14.859 2.386 1.539 1.00 0.00 H new ATOM 0 HA ALA B 10 15.601 1.908 4.260 1.00 0.00 H new ATOM 0 HB1 ALA B 10 14.828 4.277 4.447 1.00 0.00 H new ATOM 0 HB2 ALA B 10 15.721 4.049 2.924 1.00 0.00 H new ATOM 0 HB3 ALA B 10 13.942 4.113 2.912 1.00 0.00 H new ATOM 1159 N GLU B 11 12.352 2.010 3.773 1.00 0.00 N ATOM 1160 CA GLU B 11 11.071 1.635 4.440 1.00 0.00 C ATOM 1161 C GLU B 11 11.071 0.141 4.773 1.00 0.00 C ATOM 1162 O GLU B 11 10.630 -0.269 5.828 1.00 0.00 O ATOM 1163 CB GLU B 11 9.982 1.959 3.418 1.00 0.00 C ATOM 1164 CG GLU B 11 9.755 3.471 3.375 1.00 0.00 C ATOM 1165 CD GLU B 11 9.785 3.952 1.923 1.00 0.00 C ATOM 1166 OE1 GLU B 11 10.866 4.247 1.441 1.00 0.00 O ATOM 1167 OE2 GLU B 11 8.728 4.018 1.319 1.00 0.00 O ATOM 0 H GLU B 11 12.258 2.366 2.822 1.00 0.00 H new ATOM 0 HA GLU B 11 10.919 2.170 5.377 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.274 1.596 2.432 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.056 1.449 3.684 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.796 3.718 3.831 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.525 3.981 3.954 1.00 0.00 H new ATOM 1174 N ALA B 12 11.562 -0.674 3.880 1.00 0.00 N ATOM 1175 CA ALA B 12 11.591 -2.141 4.147 1.00 0.00 C ATOM 1176 C ALA B 12 12.511 -2.444 5.332 1.00 0.00 C ATOM 1177 O ALA B 12 12.237 -3.314 6.135 1.00 0.00 O ATOM 1178 CB ALA B 12 12.145 -2.765 2.866 1.00 0.00 C ATOM 0 H ALA B 12 11.944 -0.389 2.978 1.00 0.00 H new ATOM 0 HA ALA B 12 10.607 -2.535 4.400 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.198 -3.848 2.982 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.490 -2.521 2.030 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.143 -2.372 2.672 1.00 0.00 H new ATOM 1184 N VAL B 13 13.598 -1.732 5.448 1.00 0.00 N ATOM 1185 CA VAL B 13 14.533 -1.980 6.584 1.00 0.00 C ATOM 1186 C VAL B 13 13.854 -1.631 7.911 1.00 0.00 C ATOM 1187 O VAL B 13 13.932 -2.370 8.873 1.00 0.00 O ATOM 1188 CB VAL B 13 15.722 -1.053 6.329 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.800 -1.301 7.385 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.300 -1.333 4.939 1.00 0.00 C ATOM 0 H VAL B 13 13.880 -0.990 4.807 1.00 0.00 H new ATOM 0 HA VAL B 13 14.838 -3.024 6.648 1.00 0.00 H new ATOM 0 HB VAL B 13 15.390 -0.016 6.384 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.647 -0.640 7.202 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.391 -1.102 8.376 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.131 -2.338 7.331 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.148 -0.672 4.757 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.631 -2.370 4.885 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.534 -1.156 4.184 1.00 0.00 H new ATOM 1200 N ALA B 14 13.186 -0.512 7.970 1.00 0.00 N ATOM 1201 CA ALA B 14 12.502 -0.117 9.235 1.00 0.00 C ATOM 1202 C ALA B 14 11.477 -1.182 9.636 1.00 0.00 C ATOM 1203 O ALA B 14 11.278 -1.458 10.802 1.00 0.00 O ATOM 1204 CB ALA B 14 11.802 1.204 8.914 1.00 0.00 C ATOM 0 H ALA B 14 13.084 0.146 7.198 1.00 0.00 H new ATOM 0 HA ALA B 14 13.200 -0.016 10.066 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.274 1.560 9.799 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.543 1.944 8.611 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.089 1.051 8.104 1.00 0.00 H new ATOM 1210 N THR B 15 10.826 -1.779 8.676 1.00 0.00 N ATOM 1211 CA THR B 15 9.814 -2.825 9.000 1.00 0.00 C ATOM 1212 C THR B 15 10.497 -4.062 9.590 1.00 0.00 C ATOM 1213 O THR B 15 10.011 -4.661 10.530 1.00 0.00 O ATOM 1214 CB THR B 15 9.152 -3.164 7.663 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.308 -2.090 7.270 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.323 -4.440 7.811 1.00 0.00 C ATOM 0 H THR B 15 10.951 -1.588 7.682 1.00 0.00 H new ATOM 0 HA THR B 15 9.090 -2.482 9.739 1.00 0.00 H new ATOM 0 HB THR B 15 9.920 -3.320 6.905 1.00 0.00 H new ATOM 0 HG1 THR B 15 8.839 -1.411 6.803 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.852 -4.680 6.858 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.972 -5.262 8.113 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.554 -4.288 8.568 1.00 0.00 H new ATOM 1224 N VAL B 16 11.620 -4.448 9.049 1.00 0.00 N ATOM 1225 CA VAL B 16 12.330 -5.647 9.583 1.00 0.00 C ATOM 1226 C VAL B 16 12.910 -5.344 10.968 1.00 0.00 C ATOM 1227 O VAL B 16 12.872 -6.169 11.860 1.00 0.00 O ATOM 1228 CB VAL B 16 13.451 -5.924 8.579 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.222 -7.173 9.008 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.846 -6.153 7.193 1.00 0.00 C ATOM 0 H VAL B 16 12.077 -3.987 8.262 1.00 0.00 H new ATOM 0 HA VAL B 16 11.666 -6.504 9.698 1.00 0.00 H new ATOM 0 HB VAL B 16 14.129 -5.071 8.546 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.021 -7.371 8.293 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.651 -7.014 9.997 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.544 -8.026 9.040 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.643 -6.351 6.476 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.169 -7.007 7.228 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.294 -5.265 6.886 1.00 0.00 H new ATOM 1240 N VAL B 17 13.447 -4.169 11.152 1.00 0.00 N ATOM 1241 CA VAL B 17 14.032 -3.817 12.480 1.00 0.00 C ATOM 1242 C VAL B 17 12.950 -3.860 13.564 1.00 0.00 C ATOM 1243 O VAL B 17 13.142 -4.432 14.619 1.00 0.00 O ATOM 1244 CB VAL B 17 14.569 -2.392 12.317 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.408 -2.021 13.541 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.442 -2.309 11.062 1.00 0.00 C ATOM 0 H VAL B 17 13.507 -3.438 10.443 1.00 0.00 H new ATOM 0 HA VAL B 17 14.814 -4.514 12.782 1.00 0.00 H new ATOM 0 HB VAL B 17 13.731 -1.701 12.222 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.791 -1.007 13.426 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.789 -2.076 14.437 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.243 -2.716 13.634 1.00 0.00 H new ATOM 0 HG21 VAL B 17 15.822 -1.294 10.950 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.279 -3.001 11.154 1.00 0.00 H new ATOM 0 HG23 VAL B 17 14.848 -2.573 10.187 1.00 0.00 H new ATOM 1256 N ALA B 18 11.818 -3.261 13.315 1.00 0.00 N ATOM 1257 CA ALA B 18 10.731 -3.271 14.336 1.00 0.00 C ATOM 1258 C ALA B 18 10.297 -4.709 14.637 1.00 0.00 C ATOM 1259 O ALA B 18 10.145 -5.095 15.779 1.00 0.00 O ATOM 1260 CB ALA B 18 9.583 -2.487 13.699 1.00 0.00 C ATOM 0 H ALA B 18 11.598 -2.766 12.451 1.00 0.00 H new ATOM 0 HA ALA B 18 11.050 -2.833 15.282 1.00 0.00 H new ATOM 0 HB1 ALA B 18 8.741 -2.449 14.390 1.00 0.00 H new ATOM 0 HB2 ALA B 18 9.915 -1.473 13.475 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.273 -2.980 12.777 1.00 0.00 H new ATOM 1266 N ALA B 19 10.097 -5.504 13.622 1.00 0.00 N ATOM 1267 CA ALA B 19 9.675 -6.916 13.853 1.00 0.00 C ATOM 1268 C ALA B 19 10.781 -7.689 14.574 1.00 0.00 C ATOM 1269 O ALA B 19 10.526 -8.471 15.469 1.00 0.00 O ATOM 1270 CB ALA B 19 9.447 -7.492 12.455 1.00 0.00 C ATOM 0 H ALA B 19 10.207 -5.238 12.643 1.00 0.00 H new ATOM 0 HA ALA B 19 8.783 -6.983 14.476 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.133 -8.532 12.537 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.672 -6.918 11.947 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.373 -7.437 11.883 1.00 0.00 H new ATOM 1276 N VAL B 20 12.010 -7.478 14.189 1.00 0.00 N ATOM 1277 CA VAL B 20 13.136 -8.201 14.847 1.00 0.00 C ATOM 1278 C VAL B 20 13.286 -7.746 16.301 1.00 0.00 C ATOM 1279 O VAL B 20 13.548 -8.538 17.184 1.00 0.00 O ATOM 1280 CB VAL B 20 14.373 -7.820 14.035 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.607 -8.495 14.633 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.191 -8.283 12.587 1.00 0.00 C ATOM 0 H VAL B 20 12.284 -6.835 13.446 1.00 0.00 H new ATOM 0 HA VAL B 20 12.977 -9.279 14.871 1.00 0.00 H new ATOM 0 HB VAL B 20 14.505 -6.738 14.060 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.488 -8.222 14.052 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.737 -8.168 15.665 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.477 -9.577 14.609 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.072 -8.013 12.005 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.059 -9.365 12.565 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.312 -7.802 12.159 1.00 0.00 H new ATOM 1292 N ASP B 21 13.122 -6.477 16.557 1.00 0.00 N ATOM 1293 CA ASP B 21 13.258 -5.975 17.955 1.00 0.00 C ATOM 1294 C ASP B 21 12.165 -6.574 18.844 1.00 0.00 C ATOM 1295 O ASP B 21 12.375 -6.829 20.014 1.00 0.00 O ATOM 1296 CB ASP B 21 13.092 -4.458 17.849 1.00 0.00 C ATOM 1297 CG ASP B 21 14.427 -3.777 18.156 1.00 0.00 C ATOM 1298 OD1 ASP B 21 15.228 -3.651 17.245 1.00 0.00 O ATOM 1299 OD2 ASP B 21 14.625 -3.395 19.297 1.00 0.00 O ATOM 0 H ASP B 21 12.900 -5.766 15.860 1.00 0.00 H new ATOM 0 HA ASP B 21 14.214 -6.251 18.400 1.00 0.00 H new ATOM 0 HB2 ASP B 21 12.755 -4.187 16.848 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.328 -4.115 18.546 1.00 0.00 H new ATOM 1304 N GLN B 22 11.002 -6.800 18.300 1.00 0.00 N ATOM 1305 CA GLN B 22 9.896 -7.382 19.117 1.00 0.00 C ATOM 1306 C GLN B 22 10.323 -8.730 19.704 1.00 0.00 C ATOM 1307 O GLN B 22 10.171 -8.980 20.883 1.00 0.00 O ATOM 1308 CB GLN B 22 8.736 -7.564 18.138 1.00 0.00 C ATOM 1309 CG GLN B 22 7.417 -7.621 18.912 1.00 0.00 C ATOM 1310 CD GLN B 22 6.256 -7.327 17.959 1.00 0.00 C ATOM 1311 OE1 GLN B 22 6.384 -7.481 16.761 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.119 -6.908 18.445 1.00 0.00 N ATOM 0 H GLN B 22 10.768 -6.608 17.326 1.00 0.00 H new ATOM 0 HA GLN B 22 9.623 -6.744 19.958 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.716 -6.740 17.425 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.872 -8.480 17.563 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.290 -8.604 19.365 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.428 -6.895 19.725 1.00 0.00 H new ATOM 0 HE21 GLN B 22 5.011 -6.779 19.451 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.339 -6.710 17.819 1.00 0.00 H new ATOM 1321 N ALA B 23 10.852 -9.601 18.891 1.00 0.00 N ATOM 1322 CA ALA B 23 11.285 -10.932 19.404 1.00 0.00 C ATOM 1323 C ALA B 23 12.458 -10.774 20.376 1.00 0.00 C ATOM 1324 O ALA B 23 12.559 -11.479 21.360 1.00 0.00 O ATOM 1325 CB ALA B 23 11.718 -11.713 18.162 1.00 0.00 C ATOM 0 H ALA B 23 11.004 -9.450 17.894 1.00 0.00 H new ATOM 0 HA ALA B 23 10.491 -11.441 19.950 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.052 -12.708 18.456 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.876 -11.801 17.476 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.535 -11.187 17.668 1.00 0.00 H new ATOM 1331 N ARG B 24 13.348 -9.859 20.104 1.00 0.00 N ATOM 1332 CA ARG B 24 14.519 -9.663 21.009 1.00 0.00 C ATOM 1333 C ARG B 24 14.076 -9.046 22.340 1.00 0.00 C ATOM 1334 O ARG B 24 14.605 -9.362 23.387 1.00 0.00 O ATOM 1335 CB ARG B 24 15.447 -8.708 20.258 1.00 0.00 C ATOM 1336 CG ARG B 24 16.788 -8.624 20.990 1.00 0.00 C ATOM 1337 CD ARG B 24 17.845 -8.023 20.060 1.00 0.00 C ATOM 1338 NE ARG B 24 18.997 -7.701 20.947 1.00 0.00 N ATOM 1339 CZ ARG B 24 18.952 -6.653 21.727 1.00 0.00 C ATOM 1340 NH1 ARG B 24 17.900 -5.878 21.726 1.00 0.00 N ATOM 1341 NH2 ARG B 24 19.960 -6.377 22.507 1.00 0.00 N ATOM 0 H ARG B 24 13.316 -9.238 19.295 1.00 0.00 H new ATOM 0 HA ARG B 24 15.010 -10.606 21.250 1.00 0.00 H new ATOM 0 HB2 ARG B 24 15.599 -9.058 19.237 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.993 -7.719 20.192 1.00 0.00 H new ATOM 0 HG2 ARG B 24 16.687 -8.011 21.886 1.00 0.00 H new ATOM 0 HG3 ARG B 24 17.098 -9.617 21.316 1.00 0.00 H new ATOM 0 HD2 ARG B 24 18.132 -8.728 19.280 1.00 0.00 H new ATOM 0 HD3 ARG B 24 17.470 -7.130 19.560 1.00 0.00 H new ATOM 0 HE ARG B 24 19.823 -8.299 20.946 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.111 -6.090 21.115 1.00 0.00 H new ATOM 0 HH12 ARG B 24 17.868 -5.061 22.336 1.00 0.00 H new ATOM 0 HH21 ARG B 24 20.784 -6.979 22.508 1.00 0.00 H new ATOM 0 HH22 ARG B 24 19.925 -5.559 23.116 1.00 0.00 H new