USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 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 31:sc= 0.708 USER MOD Single : A 9 GLN : amide:sc= -0.0913 K(o=-0.091,f=-2.5!) USER MOD Single : A 13 SER OG : rot -108:sc= -0.917 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -6.01! C(o=-6!,f=-17!) USER MOD Single : A 39 GLN : amide:sc= -0.0245 K(o=-0.024,f=-1.2!) USER MOD Single : A 40 TYR OH : rot 165:sc= -0.529 USER MOD Single : A 41 CYS SG : rot 80:sc= 0.432 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 158:sc= -6.82! (180deg=-8.41!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -80:sc= 0.503 USER MOD Single : A 65 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= -0.0469 X(o=-0.047,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.890 -8.739 9.442 1.00 0.00 N ATOM 67 CA THR A 6 2.191 -8.618 10.162 1.00 0.00 C ATOM 68 C THR A 6 3.266 -9.444 9.451 1.00 0.00 C ATOM 69 O THR A 6 4.338 -8.960 9.150 1.00 0.00 O ATOM 70 CB THR A 6 1.924 -9.174 11.560 1.00 0.00 C ATOM 71 OG1 THR A 6 0.655 -8.724 12.014 1.00 0.00 O ATOM 72 CG2 THR A 6 3.012 -8.691 12.521 1.00 0.00 C ATOM 0 HA THR A 6 2.551 -7.590 10.196 1.00 0.00 H new ATOM 0 HB THR A 6 1.932 -10.263 11.524 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.057 -8.603 11.247 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.820 -9.089 13.518 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.985 -9.038 12.173 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.007 -7.602 12.558 1.00 0.00 H new ATOM 80 N ALA A 7 2.984 -10.689 9.177 1.00 0.00 N ATOM 81 CA ALA A 7 3.989 -11.543 8.482 1.00 0.00 C ATOM 82 C ALA A 7 4.147 -11.084 7.032 1.00 0.00 C ATOM 83 O ALA A 7 5.245 -10.947 6.529 1.00 0.00 O ATOM 84 CB ALA A 7 3.414 -12.960 8.537 1.00 0.00 C ATOM 0 H ALA A 7 2.103 -11.151 9.404 1.00 0.00 H new ATOM 0 HA ALA A 7 4.974 -11.488 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.099 -13.650 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.283 -13.260 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.450 -12.981 8.029 1.00 0.00 H new ATOM 90 N GLU A 8 3.057 -10.835 6.360 1.00 0.00 N ATOM 91 CA GLU A 8 3.143 -10.376 4.945 1.00 0.00 C ATOM 92 C GLU A 8 4.032 -9.134 4.856 1.00 0.00 C ATOM 93 O GLU A 8 4.779 -8.958 3.915 1.00 0.00 O ATOM 94 CB GLU A 8 1.706 -10.038 4.550 1.00 0.00 C ATOM 95 CG GLU A 8 1.507 -10.318 3.059 1.00 0.00 C ATOM 96 CD GLU A 8 1.574 -11.825 2.809 1.00 0.00 C ATOM 97 OE1 GLU A 8 2.675 -12.336 2.679 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.525 -12.444 2.753 1.00 0.00 O ATOM 0 H GLU A 8 2.111 -10.929 6.729 1.00 0.00 H new ATOM 0 HA GLU A 8 3.576 -11.129 4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.007 -10.632 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.495 -8.991 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.544 -9.927 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.274 -9.808 2.477 1.00 0.00 H new ATOM 105 N GLN A 9 3.958 -8.272 5.834 1.00 0.00 N ATOM 106 CA GLN A 9 4.802 -7.043 5.808 1.00 0.00 C ATOM 107 C GLN A 9 6.283 -7.425 5.824 1.00 0.00 C ATOM 108 O GLN A 9 7.080 -6.893 5.077 1.00 0.00 O ATOM 109 CB GLN A 9 4.430 -6.278 7.078 1.00 0.00 C ATOM 110 CG GLN A 9 4.905 -4.828 6.956 1.00 0.00 C ATOM 111 CD GLN A 9 3.854 -4.007 6.208 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.789 -4.502 5.893 1.00 0.00 O ATOM 113 NE2 GLN A 9 4.108 -2.763 5.906 1.00 0.00 N ATOM 0 H GLN A 9 3.351 -8.365 6.648 1.00 0.00 H new ATOM 0 HA GLN A 9 4.636 -6.445 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.351 -6.307 7.230 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.888 -6.750 7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.074 -4.405 7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.857 -4.789 6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.001 -2.346 6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.414 -2.207 5.406 1.00 0.00 H new ATOM 122 N VAL A 10 6.658 -8.349 6.668 1.00 0.00 N ATOM 123 CA VAL A 10 8.089 -8.767 6.725 1.00 0.00 C ATOM 124 C VAL A 10 8.524 -9.325 5.369 1.00 0.00 C ATOM 125 O VAL A 10 9.579 -8.998 4.862 1.00 0.00 O ATOM 126 CB VAL A 10 8.144 -9.857 7.795 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.603 -10.192 8.108 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.455 -9.359 9.067 1.00 0.00 C ATOM 0 H VAL A 10 6.038 -8.831 7.318 1.00 0.00 H new ATOM 0 HA VAL A 10 8.754 -7.936 6.959 1.00 0.00 H new ATOM 0 HB VAL A 10 7.635 -10.749 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.642 -10.969 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.097 -10.546 7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.111 -9.299 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.494 -10.136 9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.964 -8.467 9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.415 -9.119 8.847 1.00 0.00 H new ATOM 138 N ILE A 11 7.717 -10.161 4.776 1.00 0.00 N ATOM 139 CA ILE A 11 8.083 -10.737 3.450 1.00 0.00 C ATOM 140 C ILE A 11 8.274 -9.614 2.429 1.00 0.00 C ATOM 141 O ILE A 11 9.268 -9.559 1.733 1.00 0.00 O ATOM 142 CB ILE A 11 6.901 -11.626 3.064 1.00 0.00 C ATOM 143 CG1 ILE A 11 6.715 -12.713 4.127 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.176 -12.281 1.709 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.505 -13.576 3.769 1.00 0.00 C ATOM 0 H ILE A 11 6.820 -10.470 5.151 1.00 0.00 H new ATOM 0 HA ILE A 11 9.016 -11.299 3.482 1.00 0.00 H new ATOM 0 HB ILE A 11 5.997 -11.021 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.610 -13.332 4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.573 -12.257 5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.333 -12.915 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.311 -11.508 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.080 -12.887 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.373 -14.349 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.612 -12.952 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.666 -14.043 2.797 1.00 0.00 H new ATOM 157 N ALA A 12 7.334 -8.712 2.338 1.00 0.00 N ATOM 158 CA ALA A 12 7.477 -7.590 1.367 1.00 0.00 C ATOM 159 C ALA A 12 8.761 -6.819 1.670 1.00 0.00 C ATOM 160 O ALA A 12 9.554 -6.544 0.791 1.00 0.00 O ATOM 161 CB ALA A 12 6.251 -6.706 1.591 1.00 0.00 C ATOM 0 H ALA A 12 6.477 -8.703 2.891 1.00 0.00 H new ATOM 0 HA ALA A 12 7.537 -7.933 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.286 -5.856 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.346 -7.284 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.245 -6.346 2.620 1.00 0.00 H new ATOM 167 N SER A 13 8.980 -6.482 2.911 1.00 0.00 N ATOM 168 CA SER A 13 10.223 -5.746 3.271 1.00 0.00 C ATOM 169 C SER A 13 11.432 -6.647 3.018 1.00 0.00 C ATOM 170 O SER A 13 12.478 -6.198 2.595 1.00 0.00 O ATOM 171 CB SER A 13 10.086 -5.430 4.759 1.00 0.00 C ATOM 172 OG SER A 13 9.426 -6.507 5.409 1.00 0.00 O ATOM 0 H SER A 13 8.353 -6.684 3.690 1.00 0.00 H new ATOM 0 HA SER A 13 10.362 -4.838 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.070 -5.271 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.522 -4.507 4.896 1.00 0.00 H new ATOM 0 HG SER A 13 8.518 -6.233 5.656 1.00 0.00 H new ATOM 178 N PHE A 14 11.288 -7.921 3.264 1.00 0.00 N ATOM 179 CA PHE A 14 12.420 -8.857 3.025 1.00 0.00 C ATOM 180 C PHE A 14 12.681 -8.962 1.522 1.00 0.00 C ATOM 181 O PHE A 14 13.809 -8.920 1.072 1.00 0.00 O ATOM 182 CB PHE A 14 11.956 -10.201 3.588 1.00 0.00 C ATOM 183 CG PHE A 14 12.623 -10.442 4.922 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.016 -10.557 4.997 1.00 0.00 C ATOM 185 CD2 PHE A 14 11.847 -10.549 6.081 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.634 -10.779 6.234 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.465 -10.772 7.318 1.00 0.00 C ATOM 188 CZ PHE A 14 13.858 -10.887 7.394 1.00 0.00 C ATOM 0 H PHE A 14 10.435 -8.353 3.620 1.00 0.00 H new ATOM 0 HA PHE A 14 13.346 -8.527 3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.872 -10.205 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.204 -11.004 2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.614 -10.475 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.772 -10.460 6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.709 -10.867 6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.867 -10.855 8.213 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.334 -11.059 8.348 1.00 0.00 H new ATOM 198 N ARG A 15 11.641 -9.082 0.741 1.00 0.00 N ATOM 199 CA ARG A 15 11.829 -9.170 -0.733 1.00 0.00 C ATOM 200 C ARG A 15 12.668 -7.980 -1.199 1.00 0.00 C ATOM 201 O ARG A 15 13.633 -8.130 -1.922 1.00 0.00 O ATOM 202 CB ARG A 15 10.418 -9.101 -1.319 1.00 0.00 C ATOM 203 CG ARG A 15 10.431 -9.630 -2.755 1.00 0.00 C ATOM 204 CD ARG A 15 9.303 -10.650 -2.933 1.00 0.00 C ATOM 205 NE ARG A 15 9.161 -10.814 -4.406 1.00 0.00 N ATOM 206 CZ ARG A 15 8.338 -11.706 -4.890 1.00 0.00 C ATOM 207 NH1 ARG A 15 7.632 -12.453 -4.085 1.00 0.00 N ATOM 208 NH2 ARG A 15 8.220 -11.849 -6.182 1.00 0.00 N ATOM 0 H ARG A 15 10.673 -9.123 1.060 1.00 0.00 H new ATOM 0 HA ARG A 15 12.344 -10.079 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.732 -9.690 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.057 -8.073 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.306 -8.807 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.393 -10.093 -2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.548 -11.597 -2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.375 -10.295 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 15 9.707 -10.229 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.722 -12.341 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.990 -13.148 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.770 -11.265 -6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.578 -12.545 -6.562 1.00 0.00 H new ATOM 222 N ILE A 16 12.313 -6.798 -0.775 1.00 0.00 N ATOM 223 CA ILE A 16 13.095 -5.595 -1.174 1.00 0.00 C ATOM 224 C ILE A 16 14.545 -5.751 -0.714 1.00 0.00 C ATOM 225 O ILE A 16 15.475 -5.460 -1.438 1.00 0.00 O ATOM 226 CB ILE A 16 12.424 -4.428 -0.448 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.072 -4.132 -1.101 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.315 -3.188 -0.536 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.385 -2.990 -0.350 1.00 0.00 C ATOM 0 H ILE A 16 11.514 -6.614 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 16 13.111 -5.443 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 16 12.274 -4.691 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.212 -3.861 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.444 -5.023 -1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.835 -2.358 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.278 -3.398 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.468 -2.923 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.422 -2.777 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.232 -3.279 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.012 -2.099 -0.390 1.00 0.00 H new ATOM 241 N LEU A 17 14.742 -6.217 0.491 1.00 0.00 N ATOM 242 CA LEU A 17 16.127 -6.402 1.005 1.00 0.00 C ATOM 243 C LEU A 17 16.851 -7.474 0.187 1.00 0.00 C ATOM 244 O LEU A 17 18.037 -7.384 -0.065 1.00 0.00 O ATOM 245 CB LEU A 17 15.954 -6.862 2.453 1.00 0.00 C ATOM 246 CG LEU A 17 16.208 -5.688 3.399 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.177 -4.588 3.139 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.086 -6.167 4.847 1.00 0.00 C ATOM 0 H LEU A 17 14.001 -6.477 1.141 1.00 0.00 H new ATOM 0 HA LEU A 17 16.720 -5.490 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.947 -7.252 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.646 -7.675 2.672 1.00 0.00 H new ATOM 0 HG LEU A 17 17.210 -5.294 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.359 -3.752 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.261 -4.247 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.175 -4.981 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.267 -5.331 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.084 -6.561 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.820 -6.951 5.034 1.00 0.00 H new ATOM 260 N ALA A 18 16.144 -8.489 -0.230 1.00 0.00 N ATOM 261 CA ALA A 18 16.788 -9.568 -1.032 1.00 0.00 C ATOM 262 C ALA A 18 16.905 -9.138 -2.497 1.00 0.00 C ATOM 263 O ALA A 18 17.388 -9.875 -3.334 1.00 0.00 O ATOM 264 CB ALA A 18 15.852 -10.770 -0.901 1.00 0.00 C ATOM 0 H ALA A 18 15.148 -8.618 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 18 17.796 -9.796 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.257 -11.610 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.762 -11.048 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.869 -10.510 -1.293 1.00 0.00 H new ATOM 270 N SER A 19 16.465 -7.951 -2.813 1.00 0.00 N ATOM 271 CA SER A 19 16.550 -7.476 -4.225 1.00 0.00 C ATOM 272 C SER A 19 15.653 -8.330 -5.124 1.00 0.00 C ATOM 273 O SER A 19 16.121 -9.178 -5.857 1.00 0.00 O ATOM 274 CB SER A 19 18.018 -7.648 -4.612 1.00 0.00 C ATOM 275 OG SER A 19 18.324 -6.773 -5.690 1.00 0.00 O ATOM 0 H SER A 19 16.051 -7.290 -2.156 1.00 0.00 H new ATOM 0 HA SER A 19 16.218 -6.444 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.659 -7.430 -3.758 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.212 -8.681 -4.901 1.00 0.00 H new ATOM 0 HG SER A 19 19.266 -6.879 -5.940 1.00 0.00 H new ATOM 281 N ASP A 20 14.367 -8.113 -5.073 1.00 0.00 N ATOM 282 CA ASP A 20 13.442 -8.914 -5.925 1.00 0.00 C ATOM 283 C ASP A 20 13.850 -10.390 -5.910 1.00 0.00 C ATOM 284 O ASP A 20 14.093 -10.988 -6.940 1.00 0.00 O ATOM 285 CB ASP A 20 13.591 -8.331 -7.332 1.00 0.00 C ATOM 286 CG ASP A 20 12.409 -8.773 -8.196 1.00 0.00 C ATOM 287 OD1 ASP A 20 11.355 -8.172 -8.075 1.00 0.00 O ATOM 288 OD2 ASP A 20 12.578 -9.707 -8.963 1.00 0.00 O ATOM 0 H ASP A 20 13.917 -7.417 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 20 12.412 -8.866 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.633 -7.243 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.527 -8.666 -7.779 1.00 0.00 H new ATOM 293 N LYS A 21 13.927 -10.982 -4.750 1.00 0.00 N ATOM 294 CA LYS A 21 14.318 -12.418 -4.669 1.00 0.00 C ATOM 295 C LYS A 21 13.547 -13.110 -3.546 1.00 0.00 C ATOM 296 O LYS A 21 13.291 -12.523 -2.513 1.00 0.00 O ATOM 297 CB LYS A 21 15.817 -12.403 -4.366 1.00 0.00 C ATOM 298 CG LYS A 21 16.595 -12.138 -5.657 1.00 0.00 C ATOM 299 CD LYS A 21 17.789 -13.093 -5.739 1.00 0.00 C ATOM 300 CE LYS A 21 18.706 -12.666 -6.887 1.00 0.00 C ATOM 301 NZ LYS A 21 18.315 -13.533 -8.033 1.00 0.00 N ATOM 0 H LYS A 21 13.736 -10.533 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 21 14.095 -12.962 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.042 -11.633 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.121 -13.357 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.945 -12.277 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.940 -11.104 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.339 -13.086 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.442 -14.114 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.574 -11.611 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.755 -12.805 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.901 -13.300 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.458 -14.531 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.313 -13.374 -8.262 1.00 0.00 H new ATOM 315 N PRO A 22 13.203 -14.344 -3.789 1.00 0.00 N ATOM 316 CA PRO A 22 12.451 -15.102 -2.755 1.00 0.00 C ATOM 317 C PRO A 22 13.395 -15.543 -1.632 1.00 0.00 C ATOM 318 O PRO A 22 13.000 -16.229 -0.712 1.00 0.00 O ATOM 319 CB PRO A 22 11.893 -16.316 -3.496 1.00 0.00 C ATOM 320 CG PRO A 22 12.697 -16.421 -4.750 1.00 0.00 C ATOM 321 CD PRO A 22 13.176 -15.036 -5.083 1.00 0.00 C ATOM 0 HA PRO A 22 11.665 -14.507 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.985 -17.220 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.834 -16.188 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.540 -17.098 -4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.093 -16.826 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.163 -15.056 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.506 -14.541 -5.786 1.00 0.00 H new ATOM 329 N TYR A 23 14.639 -15.153 -1.702 1.00 0.00 N ATOM 330 CA TYR A 23 15.602 -15.555 -0.635 1.00 0.00 C ATOM 331 C TYR A 23 16.566 -14.408 -0.326 1.00 0.00 C ATOM 332 O TYR A 23 16.667 -13.451 -1.068 1.00 0.00 O ATOM 333 CB TYR A 23 16.361 -16.748 -1.214 1.00 0.00 C ATOM 334 CG TYR A 23 15.377 -17.808 -1.649 1.00 0.00 C ATOM 335 CD1 TYR A 23 14.544 -18.419 -0.704 1.00 0.00 C ATOM 336 CD2 TYR A 23 15.298 -18.179 -2.996 1.00 0.00 C ATOM 337 CE1 TYR A 23 13.633 -19.402 -1.108 1.00 0.00 C ATOM 338 CE2 TYR A 23 14.387 -19.162 -3.400 1.00 0.00 C ATOM 339 CZ TYR A 23 13.554 -19.773 -2.456 1.00 0.00 C ATOM 340 OH TYR A 23 12.655 -20.742 -2.854 1.00 0.00 O ATOM 0 H TYR A 23 15.029 -14.576 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 23 15.098 -15.804 0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 23 16.968 -16.430 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.044 -17.155 -0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.604 -18.132 0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.940 -17.707 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.991 -19.875 -0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.327 -19.449 -4.440 1.00 0.00 H new ATOM 0 HH TYR A 23 12.729 -20.879 -3.822 1.00 0.00 H new ATOM 350 N ILE A 24 17.275 -14.499 0.766 1.00 0.00 N ATOM 351 CA ILE A 24 18.234 -13.417 1.125 1.00 0.00 C ATOM 352 C ILE A 24 19.588 -14.029 1.517 1.00 0.00 C ATOM 353 O ILE A 24 19.652 -15.103 2.081 1.00 0.00 O ATOM 354 CB ILE A 24 17.567 -12.681 2.301 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.819 -11.176 2.163 1.00 0.00 C ATOM 356 CG2 ILE A 24 18.120 -13.175 3.645 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.252 -10.848 2.588 1.00 0.00 C ATOM 0 H ILE A 24 17.231 -15.276 1.425 1.00 0.00 H new ATOM 0 HA ILE A 24 18.441 -12.733 0.302 1.00 0.00 H new ATOM 0 HB ILE A 24 16.496 -12.885 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.656 -10.864 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.111 -10.622 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.632 -12.639 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.927 -14.243 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.194 -12.995 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.425 -9.777 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.400 -11.144 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.953 -11.390 1.953 1.00 0.00 H new ATOM 369 N LEU A 25 20.667 -13.357 1.219 1.00 0.00 N ATOM 370 CA LEU A 25 22.008 -13.905 1.571 1.00 0.00 C ATOM 371 C LEU A 25 22.450 -13.390 2.944 1.00 0.00 C ATOM 372 O LEU A 25 22.014 -12.351 3.399 1.00 0.00 O ATOM 373 CB LEU A 25 22.944 -13.391 0.478 1.00 0.00 C ATOM 374 CG LEU A 25 22.593 -14.058 -0.853 1.00 0.00 C ATOM 375 CD1 LEU A 25 23.605 -13.635 -1.920 1.00 0.00 C ATOM 376 CD2 LEU A 25 22.636 -15.579 -0.688 1.00 0.00 C ATOM 0 H LEU A 25 20.678 -12.453 0.747 1.00 0.00 H new ATOM 0 HA LEU A 25 22.006 -14.993 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.855 -12.308 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.980 -13.605 0.742 1.00 0.00 H new ATOM 0 HG LEU A 25 21.593 -13.752 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 25 23.354 -14.111 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.577 -12.552 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 25 24.606 -13.941 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 25 22.386 -16.055 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 25 23.637 -15.884 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.916 -15.883 0.072 1.00 0.00 H new ATOM 388 N ALA A 26 23.315 -14.111 3.605 1.00 0.00 N ATOM 389 CA ALA A 26 23.787 -13.664 4.948 1.00 0.00 C ATOM 390 C ALA A 26 24.533 -12.335 4.826 1.00 0.00 C ATOM 391 O ALA A 26 24.407 -11.459 5.657 1.00 0.00 O ATOM 392 CB ALA A 26 24.729 -14.771 5.426 1.00 0.00 C ATOM 0 H ALA A 26 23.715 -14.989 3.274 1.00 0.00 H new ATOM 0 HA ALA A 26 22.965 -13.503 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 26 25.120 -14.516 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.183 -15.713 5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.556 -14.874 4.723 1.00 0.00 H new ATOM 398 N GLU A 27 25.306 -12.177 3.791 1.00 0.00 N ATOM 399 CA GLU A 27 26.052 -10.903 3.605 1.00 0.00 C ATOM 400 C GLU A 27 25.078 -9.785 3.232 1.00 0.00 C ATOM 401 O GLU A 27 25.263 -8.639 3.595 1.00 0.00 O ATOM 402 CB GLU A 27 27.014 -11.179 2.453 1.00 0.00 C ATOM 403 CG GLU A 27 28.456 -10.986 2.926 1.00 0.00 C ATOM 404 CD GLU A 27 29.099 -12.352 3.179 1.00 0.00 C ATOM 405 OE1 GLU A 27 28.787 -13.277 2.446 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.892 -12.449 4.101 1.00 0.00 O ATOM 0 H GLU A 27 25.454 -12.877 3.064 1.00 0.00 H new ATOM 0 HA GLU A 27 26.576 -10.587 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.875 -12.196 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 27 26.801 -10.508 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 27 29.026 -10.438 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.474 -10.390 3.838 1.00 0.00 H new ATOM 413 N GLU A 28 24.045 -10.108 2.501 1.00 0.00 N ATOM 414 CA GLU A 28 23.063 -9.062 2.095 1.00 0.00 C ATOM 415 C GLU A 28 22.385 -8.466 3.329 1.00 0.00 C ATOM 416 O GLU A 28 22.353 -7.264 3.509 1.00 0.00 O ATOM 417 CB GLU A 28 22.047 -9.797 1.219 1.00 0.00 C ATOM 418 CG GLU A 28 21.160 -8.779 0.499 1.00 0.00 C ATOM 419 CD GLU A 28 20.522 -9.434 -0.728 1.00 0.00 C ATOM 420 OE1 GLU A 28 19.793 -10.396 -0.550 1.00 0.00 O ATOM 421 OE2 GLU A 28 20.771 -8.961 -1.825 1.00 0.00 O ATOM 0 H GLU A 28 23.839 -11.050 2.168 1.00 0.00 H new ATOM 0 HA GLU A 28 23.533 -8.233 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.564 -10.423 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.435 -10.459 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 28 20.385 -8.414 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 28 21.752 -7.915 0.197 1.00 0.00 H new ATOM 428 N LEU A 29 21.858 -9.290 4.194 1.00 0.00 N ATOM 429 CA LEU A 29 21.206 -8.749 5.418 1.00 0.00 C ATOM 430 C LEU A 29 22.271 -8.122 6.321 1.00 0.00 C ATOM 431 O LEU A 29 22.026 -7.152 7.007 1.00 0.00 O ATOM 432 CB LEU A 29 20.527 -9.943 6.099 1.00 0.00 C ATOM 433 CG LEU A 29 21.574 -10.958 6.552 1.00 0.00 C ATOM 434 CD1 LEU A 29 22.001 -10.652 7.988 1.00 0.00 C ATOM 435 CD2 LEU A 29 20.974 -12.365 6.491 1.00 0.00 C ATOM 0 H LEU A 29 21.851 -10.306 4.106 1.00 0.00 H new ATOM 0 HA LEU A 29 20.474 -7.973 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.947 -9.601 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.827 -10.415 5.409 1.00 0.00 H new ATOM 0 HG LEU A 29 22.443 -10.899 5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.748 -11.378 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 29 22.426 -9.649 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.134 -10.710 8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.719 -13.092 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 29 20.106 -12.419 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.670 -12.587 5.468 1.00 0.00 H new ATOM 447 N ARG A 30 23.456 -8.670 6.322 1.00 0.00 N ATOM 448 CA ARG A 30 24.539 -8.105 7.179 1.00 0.00 C ATOM 449 C ARG A 30 24.920 -6.697 6.706 1.00 0.00 C ATOM 450 O ARG A 30 25.282 -5.845 7.492 1.00 0.00 O ATOM 451 CB ARG A 30 25.718 -9.065 7.018 1.00 0.00 C ATOM 452 CG ARG A 30 26.655 -8.933 8.221 1.00 0.00 C ATOM 453 CD ARG A 30 28.076 -8.640 7.731 1.00 0.00 C ATOM 454 NE ARG A 30 28.969 -9.338 8.698 1.00 0.00 N ATOM 455 CZ ARG A 30 29.077 -10.640 8.673 1.00 0.00 C ATOM 456 NH1 ARG A 30 28.393 -11.338 7.806 1.00 0.00 N ATOM 457 NH2 ARG A 30 29.869 -11.244 9.515 1.00 0.00 N ATOM 0 H ARG A 30 23.721 -9.484 5.767 1.00 0.00 H new ATOM 0 HA ARG A 30 24.229 -8.012 8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 30 25.357 -10.090 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.258 -8.843 6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.312 -8.132 8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.643 -9.852 8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 30 28.228 -9.009 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.274 -7.568 7.713 1.00 0.00 H new ATOM 0 HE ARG A 30 29.498 -8.797 9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.773 -10.867 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 30 28.479 -12.354 7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 30 30.404 -10.700 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 30 29.954 -12.260 9.496 1.00 0.00 H new ATOM 471 N ARG A 31 24.860 -6.450 5.424 1.00 0.00 N ATOM 472 CA ARG A 31 25.238 -5.102 4.905 1.00 0.00 C ATOM 473 C ARG A 31 24.029 -4.159 4.864 1.00 0.00 C ATOM 474 O ARG A 31 24.178 -2.961 4.721 1.00 0.00 O ATOM 475 CB ARG A 31 25.756 -5.357 3.490 1.00 0.00 C ATOM 476 CG ARG A 31 27.168 -4.787 3.353 1.00 0.00 C ATOM 477 CD ARG A 31 28.135 -5.608 4.208 1.00 0.00 C ATOM 478 NE ARG A 31 29.478 -5.347 3.623 1.00 0.00 N ATOM 479 CZ ARG A 31 30.556 -5.579 4.325 1.00 0.00 C ATOM 480 NH1 ARG A 31 30.462 -6.051 5.538 1.00 0.00 N ATOM 481 NH2 ARG A 31 31.728 -5.338 3.810 1.00 0.00 N ATOM 0 H ARG A 31 24.566 -7.122 4.715 1.00 0.00 H new ATOM 0 HA ARG A 31 25.979 -4.622 5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 31 25.762 -6.427 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.093 -4.894 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.481 -4.809 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.183 -3.744 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.094 -5.304 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 31 27.889 -6.669 4.175 1.00 0.00 H new ATOM 0 HE ARG A 31 29.558 -4.986 2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 31 29.545 -6.240 5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 31 31.306 -6.231 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 31 31.802 -4.969 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 31 32.571 -5.518 4.355 1.00 0.00 H new ATOM 495 N GLU A 32 22.835 -4.676 4.971 1.00 0.00 N ATOM 496 CA GLU A 32 21.641 -3.780 4.919 1.00 0.00 C ATOM 497 C GLU A 32 20.975 -3.659 6.293 1.00 0.00 C ATOM 498 O GLU A 32 20.298 -2.692 6.577 1.00 0.00 O ATOM 499 CB GLU A 32 20.692 -4.455 3.932 1.00 0.00 C ATOM 500 CG GLU A 32 20.134 -5.732 4.559 1.00 0.00 C ATOM 501 CD GLU A 32 19.612 -6.658 3.458 1.00 0.00 C ATOM 502 OE1 GLU A 32 20.182 -6.643 2.379 1.00 0.00 O ATOM 503 OE2 GLU A 32 18.651 -7.365 3.713 1.00 0.00 O ATOM 0 H GLU A 32 22.634 -5.669 5.091 1.00 0.00 H new ATOM 0 HA GLU A 32 21.911 -2.768 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 32 19.878 -3.778 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.218 -4.691 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 32 20.910 -6.236 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.331 -5.487 5.254 1.00 0.00 H new ATOM 510 N LEU A 33 21.155 -4.625 7.148 1.00 0.00 N ATOM 511 CA LEU A 33 20.524 -4.549 8.496 1.00 0.00 C ATOM 512 C LEU A 33 21.594 -4.332 9.568 1.00 0.00 C ATOM 513 O LEU A 33 22.701 -4.821 9.449 1.00 0.00 O ATOM 514 CB LEU A 33 19.839 -5.901 8.687 1.00 0.00 C ATOM 515 CG LEU A 33 18.374 -5.799 8.258 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.950 -7.103 7.580 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.497 -5.560 9.488 1.00 0.00 C ATOM 0 H LEU A 33 21.710 -5.463 6.974 1.00 0.00 H new ATOM 0 HA LEU A 33 19.821 -3.720 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.348 -6.664 8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.902 -6.208 9.731 1.00 0.00 H new ATOM 0 HG LEU A 33 18.258 -4.969 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.906 -7.031 7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.574 -7.277 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.067 -7.931 8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.453 -5.487 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.614 -6.390 10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.798 -4.632 9.975 1.00 0.00 H new ATOM 529 N PRO A 34 21.225 -3.603 10.586 1.00 0.00 N ATOM 530 CA PRO A 34 22.199 -3.343 11.677 1.00 0.00 C ATOM 531 C PRO A 34 22.869 -4.650 12.110 1.00 0.00 C ATOM 532 O PRO A 34 22.229 -5.680 12.186 1.00 0.00 O ATOM 533 CB PRO A 34 21.354 -2.767 12.810 1.00 0.00 C ATOM 534 CG PRO A 34 20.138 -2.216 12.144 1.00 0.00 C ATOM 535 CD PRO A 34 19.908 -3.030 10.899 1.00 0.00 C ATOM 0 HA PRO A 34 23.000 -2.668 11.376 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.092 -3.536 13.537 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.895 -1.990 13.350 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.275 -2.275 12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.278 -1.164 11.896 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.165 -3.810 11.066 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.540 -2.410 10.081 1.00 0.00 H new ATOM 543 N PRO A 35 24.141 -4.559 12.381 1.00 0.00 N ATOM 544 CA PRO A 35 24.877 -5.776 12.812 1.00 0.00 C ATOM 545 C PRO A 35 24.024 -6.595 13.784 1.00 0.00 C ATOM 546 O PRO A 35 24.023 -7.810 13.754 1.00 0.00 O ATOM 547 CB PRO A 35 26.123 -5.237 13.511 1.00 0.00 C ATOM 548 CG PRO A 35 25.779 -3.837 13.898 1.00 0.00 C ATOM 549 CD PRO A 35 24.779 -3.339 12.891 1.00 0.00 C ATOM 0 HA PRO A 35 25.122 -6.436 11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.375 -5.837 14.386 1.00 0.00 H new ATOM 0 HB3 PRO A 35 26.988 -5.261 12.848 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.362 -3.806 14.905 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.669 -3.208 13.902 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.050 -2.671 13.350 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.264 -2.780 12.091 1.00 0.00 H new ATOM 557 N ASP A 36 23.299 -5.937 14.648 1.00 0.00 N ATOM 558 CA ASP A 36 22.446 -6.674 15.625 1.00 0.00 C ATOM 559 C ASP A 36 21.330 -7.428 14.898 1.00 0.00 C ATOM 560 O ASP A 36 21.045 -8.571 15.194 1.00 0.00 O ATOM 561 CB ASP A 36 21.855 -5.593 16.531 1.00 0.00 C ATOM 562 CG ASP A 36 21.326 -6.237 17.814 1.00 0.00 C ATOM 563 OD1 ASP A 36 22.007 -7.099 18.346 1.00 0.00 O ATOM 564 OD2 ASP A 36 20.248 -5.860 18.241 1.00 0.00 O ATOM 0 H ASP A 36 23.260 -4.920 14.720 1.00 0.00 H new ATOM 0 HA ASP A 36 23.015 -7.415 16.187 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.615 -4.849 16.771 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.050 -5.071 16.015 1.00 0.00 H new ATOM 569 N GLN A 37 20.691 -6.795 13.951 1.00 0.00 N ATOM 570 CA GLN A 37 19.590 -7.477 13.212 1.00 0.00 C ATOM 571 C GLN A 37 20.155 -8.597 12.334 1.00 0.00 C ATOM 572 O GLN A 37 19.601 -9.676 12.255 1.00 0.00 O ATOM 573 CB GLN A 37 18.957 -6.385 12.348 1.00 0.00 C ATOM 574 CG GLN A 37 18.397 -5.281 13.248 1.00 0.00 C ATOM 575 CD GLN A 37 17.092 -5.758 13.888 1.00 0.00 C ATOM 576 OE1 GLN A 37 16.481 -6.698 13.422 1.00 0.00 O ATOM 577 NE2 GLN A 37 16.636 -5.142 14.945 1.00 0.00 N ATOM 0 H GLN A 37 20.883 -5.837 13.658 1.00 0.00 H new ATOM 0 HA GLN A 37 18.865 -7.937 13.884 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.699 -5.971 11.666 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.161 -6.808 11.735 1.00 0.00 H new ATOM 0 HG2 GLN A 37 19.121 -5.025 14.021 1.00 0.00 H new ATOM 0 HG3 GLN A 37 18.220 -4.377 12.665 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.150 -4.352 15.336 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.766 -5.450 15.379 1.00 0.00 H new ATOM 586 N ALA A 38 21.251 -8.350 11.673 1.00 0.00 N ATOM 587 CA ALA A 38 21.848 -9.401 10.800 1.00 0.00 C ATOM 588 C ALA A 38 22.116 -10.674 11.610 1.00 0.00 C ATOM 589 O ALA A 38 21.847 -11.772 11.166 1.00 0.00 O ATOM 590 CB ALA A 38 23.160 -8.800 10.297 1.00 0.00 C ATOM 0 H ALA A 38 21.760 -7.466 11.699 1.00 0.00 H new ATOM 0 HA ALA A 38 21.187 -9.680 9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.662 -9.515 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.952 -7.886 9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.804 -8.569 11.146 1.00 0.00 H new ATOM 596 N GLN A 39 22.645 -10.534 12.795 1.00 0.00 N ATOM 597 CA GLN A 39 22.929 -11.737 13.630 1.00 0.00 C ATOM 598 C GLN A 39 21.621 -12.425 14.025 1.00 0.00 C ATOM 599 O GLN A 39 21.495 -13.632 13.949 1.00 0.00 O ATOM 600 CB GLN A 39 23.649 -11.196 14.866 1.00 0.00 C ATOM 601 CG GLN A 39 24.461 -12.316 15.521 1.00 0.00 C ATOM 602 CD GLN A 39 25.313 -11.736 16.651 1.00 0.00 C ATOM 603 OE1 GLN A 39 25.765 -10.612 16.570 1.00 0.00 O ATOM 604 NE2 GLN A 39 25.554 -12.460 17.710 1.00 0.00 N ATOM 0 H GLN A 39 22.893 -9.641 13.221 1.00 0.00 H new ATOM 0 HA GLN A 39 23.528 -12.478 13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.307 -10.373 14.585 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.924 -10.796 15.575 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.793 -13.083 15.912 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.100 -12.797 14.780 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.175 -13.404 17.779 1.00 0.00 H new ATOM 0 HE22 GLN A 39 26.121 -12.081 18.468 1.00 0.00 H new ATOM 613 N TYR A 40 20.644 -11.668 14.441 1.00 0.00 N ATOM 614 CA TYR A 40 19.344 -12.280 14.836 1.00 0.00 C ATOM 615 C TYR A 40 18.688 -12.947 13.622 1.00 0.00 C ATOM 616 O TYR A 40 18.236 -14.072 13.686 1.00 0.00 O ATOM 617 CB TYR A 40 18.492 -11.107 15.325 1.00 0.00 C ATOM 618 CG TYR A 40 17.940 -11.414 16.698 1.00 0.00 C ATOM 619 CD1 TYR A 40 16.918 -12.358 16.847 1.00 0.00 C ATOM 620 CD2 TYR A 40 18.447 -10.748 17.820 1.00 0.00 C ATOM 621 CE1 TYR A 40 16.404 -12.639 18.118 1.00 0.00 C ATOM 622 CE2 TYR A 40 17.934 -11.029 19.092 1.00 0.00 C ATOM 623 CZ TYR A 40 16.911 -11.973 19.241 1.00 0.00 C ATOM 624 OH TYR A 40 16.405 -12.249 20.494 1.00 0.00 O ATOM 0 H TYR A 40 20.689 -10.652 14.525 1.00 0.00 H new ATOM 0 HA TYR A 40 19.461 -13.049 15.600 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.093 -10.198 15.359 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.675 -10.923 14.627 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.526 -12.870 15.981 1.00 0.00 H new ATOM 0 HD2 TYR A 40 19.234 -10.017 17.704 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.617 -13.369 18.233 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.327 -10.518 19.958 1.00 0.00 H new ATOM 0 HH TYR A 40 17.011 -11.894 21.177 1.00 0.00 H new ATOM 634 N CYS A 41 18.632 -12.252 12.518 1.00 0.00 N ATOM 635 CA CYS A 41 18.003 -12.834 11.296 1.00 0.00 C ATOM 636 C CYS A 41 18.811 -14.026 10.775 1.00 0.00 C ATOM 637 O CYS A 41 18.276 -15.087 10.526 1.00 0.00 O ATOM 638 CB CYS A 41 18.017 -11.699 10.272 1.00 0.00 C ATOM 639 SG CYS A 41 17.169 -10.255 10.961 1.00 0.00 S ATOM 0 H CYS A 41 18.995 -11.305 12.409 1.00 0.00 H new ATOM 0 HA CYS A 41 16.998 -13.205 11.497 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.044 -11.442 10.012 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.526 -12.018 9.353 1.00 0.00 H new ATOM 0 HG CYS A 41 17.975 -9.617 11.756 1.00 0.00 H new ATOM 645 N ILE A 42 20.094 -13.857 10.598 1.00 0.00 N ATOM 646 CA ILE A 42 20.929 -14.979 10.077 1.00 0.00 C ATOM 647 C ILE A 42 20.686 -16.256 10.888 1.00 0.00 C ATOM 648 O ILE A 42 20.828 -17.355 10.390 1.00 0.00 O ATOM 649 CB ILE A 42 22.372 -14.502 10.243 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.695 -13.486 9.146 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.325 -15.694 10.130 1.00 0.00 C ATOM 652 CD1 ILE A 42 24.027 -12.803 9.456 1.00 0.00 C ATOM 0 H ILE A 42 20.600 -12.992 10.791 1.00 0.00 H new ATOM 0 HA ILE A 42 20.692 -15.221 9.041 1.00 0.00 H new ATOM 0 HB ILE A 42 22.492 -14.038 11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.747 -13.985 8.178 1.00 0.00 H new ATOM 0 HG13 ILE A 42 21.900 -12.743 9.079 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.353 -15.351 10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.093 -16.421 10.909 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.209 -16.161 9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 42 24.256 -12.079 8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.958 -12.290 10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.818 -13.552 9.500 1.00 0.00 H new ATOM 664 N LYS A 43 20.328 -16.120 12.134 1.00 0.00 N ATOM 665 CA LYS A 43 20.084 -17.325 12.977 1.00 0.00 C ATOM 666 C LYS A 43 18.646 -17.822 12.807 1.00 0.00 C ATOM 667 O LYS A 43 18.357 -18.988 12.985 1.00 0.00 O ATOM 668 CB LYS A 43 20.322 -16.857 14.413 1.00 0.00 C ATOM 669 CG LYS A 43 21.261 -17.837 15.119 1.00 0.00 C ATOM 670 CD LYS A 43 21.809 -17.192 16.394 1.00 0.00 C ATOM 671 CE LYS A 43 22.891 -18.091 16.996 1.00 0.00 C ATOM 672 NZ LYS A 43 23.789 -17.165 17.740 1.00 0.00 N ATOM 0 H LYS A 43 20.193 -15.226 12.606 1.00 0.00 H new ATOM 0 HA LYS A 43 20.735 -18.154 12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.755 -15.857 14.414 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.375 -16.795 14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.728 -18.755 15.364 1.00 0.00 H new ATOM 0 HG3 LYS A 43 22.082 -18.112 14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.222 -16.209 16.168 1.00 0.00 H new ATOM 0 HD3 LYS A 43 21.004 -17.042 17.113 1.00 0.00 H new ATOM 0 HE2 LYS A 43 22.458 -18.840 17.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 23.434 -18.629 16.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 24.558 -17.708 18.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 24.191 -16.468 17.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 23.246 -16.672 18.477 1.00 0.00 H new ATOM 686 N ARG A 44 17.741 -16.944 12.473 1.00 0.00 N ATOM 687 CA ARG A 44 16.321 -17.367 12.305 1.00 0.00 C ATOM 688 C ARG A 44 16.125 -18.096 10.974 1.00 0.00 C ATOM 689 O ARG A 44 15.924 -19.293 10.938 1.00 0.00 O ATOM 690 CB ARG A 44 15.520 -16.067 12.334 1.00 0.00 C ATOM 691 CG ARG A 44 15.520 -15.504 13.757 1.00 0.00 C ATOM 692 CD ARG A 44 14.670 -16.401 14.658 1.00 0.00 C ATOM 693 NE ARG A 44 14.017 -15.473 15.621 1.00 0.00 N ATOM 694 CZ ARG A 44 13.335 -15.948 16.629 1.00 0.00 C ATOM 695 NH1 ARG A 44 13.226 -17.238 16.798 1.00 0.00 N ATOM 696 NH2 ARG A 44 12.763 -15.131 17.471 1.00 0.00 N ATOM 0 H ARG A 44 17.922 -15.954 12.309 1.00 0.00 H new ATOM 0 HA ARG A 44 16.005 -18.061 13.083 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.955 -15.343 11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.498 -16.249 12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.540 -15.449 14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.124 -14.489 13.758 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.930 -16.954 14.079 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.285 -17.137 15.175 1.00 0.00 H new ATOM 0 HE ARG A 44 14.102 -14.465 15.494 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.674 -17.878 16.142 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.693 -17.606 17.586 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.849 -14.123 17.342 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.230 -15.501 18.258 1.00 0.00 H new ATOM 710 N MET A 45 16.174 -17.386 9.880 1.00 0.00 N ATOM 711 CA MET A 45 15.981 -18.048 8.559 1.00 0.00 C ATOM 712 C MET A 45 17.009 -19.165 8.364 1.00 0.00 C ATOM 713 O MET A 45 18.200 -18.933 8.419 1.00 0.00 O ATOM 714 CB MET A 45 16.186 -16.936 7.531 1.00 0.00 C ATOM 715 CG MET A 45 17.574 -16.316 7.710 1.00 0.00 C ATOM 716 SD MET A 45 17.764 -14.911 6.584 1.00 0.00 S ATOM 717 CE MET A 45 16.192 -14.097 6.960 1.00 0.00 C ATOM 0 H MET A 45 16.339 -16.380 9.844 1.00 0.00 H new ATOM 0 HA MET A 45 14.999 -18.512 8.468 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.084 -17.337 6.523 1.00 0.00 H new ATOM 0 HB3 MET A 45 15.418 -16.172 7.650 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.706 -15.989 8.741 1.00 0.00 H new ATOM 0 HG3 MET A 45 18.344 -17.061 7.511 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.255 -13.042 6.692 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.392 -14.569 6.389 1.00 0.00 H new ATOM 0 HE3 MET A 45 15.980 -14.189 8.025 1.00 0.00 H new ATOM 727 N PRO A 46 16.506 -20.350 8.141 1.00 0.00 N ATOM 728 CA PRO A 46 17.426 -21.500 7.937 1.00 0.00 C ATOM 729 C PRO A 46 18.048 -21.438 6.539 1.00 0.00 C ATOM 730 O PRO A 46 18.096 -20.395 5.918 1.00 0.00 O ATOM 731 CB PRO A 46 16.538 -22.736 8.081 1.00 0.00 C ATOM 732 CG PRO A 46 15.138 -22.241 7.928 1.00 0.00 C ATOM 733 CD PRO A 46 15.129 -20.804 8.367 1.00 0.00 C ATOM 0 HA PRO A 46 18.253 -21.506 8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 46 16.776 -23.481 7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 46 16.682 -23.212 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.809 -22.330 6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.451 -22.833 8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.416 -20.216 7.790 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.845 -20.710 9.415 1.00 0.00 H new ATOM 859 N ALA A 57 22.213 -18.952 0.876 1.00 0.00 N ATOM 860 CA ALA A 57 20.798 -18.547 0.639 1.00 0.00 C ATOM 861 C ALA A 57 19.944 -18.868 1.868 1.00 0.00 C ATOM 862 O ALA A 57 19.870 -20.000 2.305 1.00 0.00 O ATOM 863 CB ALA A 57 20.343 -19.378 -0.562 1.00 0.00 C ATOM 0 HA ALA A 57 20.700 -17.477 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.307 -19.137 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.975 -19.152 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.423 -20.438 -0.322 1.00 0.00 H new ATOM 869 N LEU A 58 19.302 -17.881 2.431 1.00 0.00 N ATOM 870 CA LEU A 58 18.455 -18.133 3.632 1.00 0.00 C ATOM 871 C LEU A 58 16.997 -17.767 3.341 1.00 0.00 C ATOM 872 O LEU A 58 16.707 -16.978 2.464 1.00 0.00 O ATOM 873 CB LEU A 58 19.030 -17.224 4.719 1.00 0.00 C ATOM 874 CG LEU A 58 20.473 -17.633 5.015 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.147 -16.557 5.867 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.479 -18.961 5.775 1.00 0.00 C ATOM 0 H LEU A 58 19.327 -16.912 2.112 1.00 0.00 H new ATOM 0 HA LEU A 58 18.464 -19.182 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.995 -16.184 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.427 -17.296 5.624 1.00 0.00 H new ATOM 0 HG LEU A 58 21.017 -17.746 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.176 -16.850 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.143 -15.610 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.604 -16.442 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.507 -19.254 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.934 -18.846 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.000 -19.730 5.168 1.00 0.00 H new ATOM 888 N ASP A 59 16.078 -18.334 4.073 1.00 0.00 N ATOM 889 CA ASP A 59 14.638 -18.021 3.840 1.00 0.00 C ATOM 890 C ASP A 59 14.094 -17.154 4.979 1.00 0.00 C ATOM 891 O ASP A 59 13.988 -17.589 6.109 1.00 0.00 O ATOM 892 CB ASP A 59 13.937 -19.380 3.817 1.00 0.00 C ATOM 893 CG ASP A 59 14.048 -19.990 2.419 1.00 0.00 C ATOM 894 OD1 ASP A 59 15.164 -20.213 1.979 1.00 0.00 O ATOM 895 OD2 ASP A 59 13.016 -20.222 1.811 1.00 0.00 O ATOM 0 H ASP A 59 16.261 -19.001 4.823 1.00 0.00 H new ATOM 0 HA ASP A 59 14.480 -17.465 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.388 -20.046 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.889 -19.265 4.092 1.00 0.00 H new ATOM 900 N TYR A 60 13.746 -15.929 4.690 1.00 0.00 N ATOM 901 CA TYR A 60 13.209 -15.033 5.755 1.00 0.00 C ATOM 902 C TYR A 60 11.710 -15.273 5.946 1.00 0.00 C ATOM 903 O TYR A 60 11.158 -14.995 6.992 1.00 0.00 O ATOM 904 CB TYR A 60 13.462 -13.615 5.244 1.00 0.00 C ATOM 905 CG TYR A 60 12.757 -13.422 3.923 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.375 -13.202 3.893 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.485 -13.464 2.729 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.721 -13.023 2.669 1.00 0.00 C ATOM 909 CE2 TYR A 60 12.831 -13.284 1.504 1.00 0.00 C ATOM 910 CZ TYR A 60 11.449 -13.065 1.473 1.00 0.00 C ATOM 911 OH TYR A 60 10.804 -12.888 0.267 1.00 0.00 O ATOM 0 H TYR A 60 13.810 -15.510 3.762 1.00 0.00 H new ATOM 0 HA TYR A 60 13.684 -15.211 6.720 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.102 -12.886 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.532 -13.445 5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.813 -13.170 4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.551 -13.635 2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.655 -12.852 2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.393 -13.314 0.582 1.00 0.00 H new ATOM 0 HH TYR A 60 11.455 -12.945 -0.464 1.00 0.00 H new ATOM 921 N ALA A 61 11.045 -15.791 4.949 1.00 0.00 N ATOM 922 CA ALA A 61 9.585 -16.046 5.091 1.00 0.00 C ATOM 923 C ALA A 61 9.339 -16.940 6.305 1.00 0.00 C ATOM 924 O ALA A 61 8.420 -16.726 7.072 1.00 0.00 O ATOM 925 CB ALA A 61 9.174 -16.760 3.802 1.00 0.00 C ATOM 0 H ALA A 61 11.448 -16.047 4.048 1.00 0.00 H new ATOM 0 HA ALA A 61 9.012 -15.131 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.107 -16.981 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.387 -16.118 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.735 -17.690 3.706 1.00 0.00 H new ATOM 931 N ALA A 62 10.161 -17.934 6.493 1.00 0.00 N ATOM 932 CA ALA A 62 9.984 -18.832 7.666 1.00 0.00 C ATOM 933 C ALA A 62 10.249 -18.054 8.951 1.00 0.00 C ATOM 934 O ALA A 62 9.655 -18.304 9.981 1.00 0.00 O ATOM 935 CB ALA A 62 11.018 -19.944 7.482 1.00 0.00 C ATOM 0 H ALA A 62 10.947 -18.163 5.885 1.00 0.00 H new ATOM 0 HA ALA A 62 8.974 -19.235 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.948 -20.647 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.827 -20.468 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.018 -19.511 7.458 1.00 0.00 H new ATOM 941 N PHE A 63 11.136 -17.107 8.889 1.00 0.00 N ATOM 942 CA PHE A 63 11.452 -16.293 10.097 1.00 0.00 C ATOM 943 C PHE A 63 10.269 -15.387 10.450 1.00 0.00 C ATOM 944 O PHE A 63 10.015 -15.105 11.604 1.00 0.00 O ATOM 945 CB PHE A 63 12.669 -15.455 9.706 1.00 0.00 C ATOM 946 CG PHE A 63 12.946 -14.442 10.790 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.703 -14.767 12.129 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.447 -13.177 10.456 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.958 -13.828 13.136 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.702 -12.238 11.464 1.00 0.00 C ATOM 951 CZ PHE A 63 13.459 -12.564 12.802 1.00 0.00 C ATOM 0 H PHE A 63 11.661 -16.858 8.051 1.00 0.00 H new ATOM 0 HA PHE A 63 11.649 -16.914 10.971 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.537 -16.098 9.563 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.487 -14.949 8.758 1.00 0.00 H new ATOM 0 HD1 PHE A 63 12.318 -15.743 12.386 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.636 -12.926 9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.768 -14.079 14.169 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.086 -11.262 11.208 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.658 -11.840 13.578 1.00 0.00 H new ATOM 961 N SER A 64 9.544 -14.927 9.465 1.00 0.00 N ATOM 962 CA SER A 64 8.380 -14.038 9.754 1.00 0.00 C ATOM 963 C SER A 64 7.323 -14.798 10.557 1.00 0.00 C ATOM 964 O SER A 64 6.851 -14.335 11.576 1.00 0.00 O ATOM 965 CB SER A 64 7.833 -13.644 8.383 1.00 0.00 C ATOM 966 OG SER A 64 6.910 -14.632 7.944 1.00 0.00 O ATOM 0 H SER A 64 9.706 -15.127 8.478 1.00 0.00 H new ATOM 0 HA SER A 64 8.661 -13.166 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.343 -12.672 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.649 -13.548 7.667 1.00 0.00 H new ATOM 0 HG SER A 64 7.400 -15.395 7.571 1.00 0.00 H new ATOM 972 N SER A 65 6.949 -15.965 10.108 1.00 0.00 N ATOM 973 CA SER A 65 5.925 -16.756 10.848 1.00 0.00 C ATOM 974 C SER A 65 6.499 -17.244 12.181 1.00 0.00 C ATOM 975 O SER A 65 5.806 -17.324 13.175 1.00 0.00 O ATOM 976 CB SER A 65 5.607 -17.940 9.936 1.00 0.00 C ATOM 977 OG SER A 65 4.802 -18.873 10.645 1.00 0.00 O ATOM 0 H SER A 65 7.308 -16.405 9.261 1.00 0.00 H new ATOM 0 HA SER A 65 5.036 -16.170 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.085 -17.597 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.529 -18.416 9.603 1.00 0.00 H new ATOM 0 HG SER A 65 4.594 -19.634 10.063 1.00 0.00 H new ATOM 983 N ALA A 66 7.762 -17.572 12.206 1.00 0.00 N ATOM 984 CA ALA A 66 8.383 -18.058 13.472 1.00 0.00 C ATOM 985 C ALA A 66 8.480 -16.921 14.493 1.00 0.00 C ATOM 986 O ALA A 66 8.147 -17.086 15.650 1.00 0.00 O ATOM 987 CB ALA A 66 9.778 -18.536 13.069 1.00 0.00 C ATOM 0 H ALA A 66 8.391 -17.525 11.405 1.00 0.00 H new ATOM 0 HA ALA A 66 7.797 -18.850 13.939 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.302 -18.910 13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.690 -19.334 12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.337 -17.705 12.640 1.00 0.00 H new ATOM 993 N LEU A 67 8.936 -15.769 14.080 1.00 0.00 N ATOM 994 CA LEU A 67 9.053 -14.631 15.037 1.00 0.00 C ATOM 995 C LEU A 67 7.660 -14.137 15.441 1.00 0.00 C ATOM 996 O LEU A 67 7.418 -13.782 16.577 1.00 0.00 O ATOM 997 CB LEU A 67 9.854 -13.555 14.282 1.00 0.00 C ATOM 998 CG LEU A 67 8.930 -12.525 13.621 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.445 -11.529 14.675 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.705 -11.772 12.537 1.00 0.00 C ATOM 0 H LEU A 67 9.232 -15.567 13.125 1.00 0.00 H new ATOM 0 HA LEU A 67 9.553 -14.907 15.966 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.528 -13.049 14.974 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.475 -14.029 13.522 1.00 0.00 H new ATOM 0 HG LEU A 67 8.075 -13.034 13.176 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.788 -10.796 14.208 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.899 -12.061 15.454 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.302 -11.019 15.116 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.051 -11.039 12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.557 -11.262 12.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.060 -12.478 11.786 1.00 0.00 H new ATOM 1012 N TYR A 68 6.748 -14.118 14.515 1.00 0.00 N ATOM 1013 CA TYR A 68 5.364 -13.656 14.830 1.00 0.00 C ATOM 1014 C TYR A 68 4.457 -14.856 15.116 1.00 0.00 C ATOM 1015 O TYR A 68 3.272 -14.711 15.342 1.00 0.00 O ATOM 1016 CB TYR A 68 4.894 -12.920 13.574 1.00 0.00 C ATOM 1017 CG TYR A 68 5.232 -11.454 13.690 1.00 0.00 C ATOM 1018 CD1 TYR A 68 4.946 -10.759 14.872 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.837 -10.788 12.617 1.00 0.00 C ATOM 1020 CE1 TYR A 68 5.264 -9.400 14.981 1.00 0.00 C ATOM 1021 CE2 TYR A 68 6.155 -9.429 12.725 1.00 0.00 C ATOM 1022 CZ TYR A 68 5.869 -8.735 13.907 1.00 0.00 C ATOM 1023 OH TYR A 68 6.183 -7.395 14.014 1.00 0.00 O ATOM 0 H TYR A 68 6.898 -14.403 13.547 1.00 0.00 H new ATOM 0 HA TYR A 68 5.335 -13.017 15.713 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.372 -13.345 12.691 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.819 -13.047 13.447 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.480 -11.272 15.700 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.058 -11.323 11.705 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.043 -8.865 15.893 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.621 -8.916 11.897 1.00 0.00 H new ATOM 0 HH TYR A 68 6.598 -7.089 13.181 1.00 0.00 H new ATOM 1105 N LYS B 8 12.304 3.337 -0.921 1.00 0.00 N ATOM 1106 CA LYS B 8 11.443 2.338 -0.223 1.00 0.00 C ATOM 1107 C LYS B 8 12.307 1.276 0.465 1.00 0.00 C ATOM 1108 O LYS B 8 11.927 0.715 1.475 1.00 0.00 O ATOM 1109 CB LYS B 8 10.587 1.708 -1.323 1.00 0.00 C ATOM 1110 CG LYS B 8 11.491 1.111 -2.402 1.00 0.00 C ATOM 1111 CD LYS B 8 11.884 2.200 -3.400 1.00 0.00 C ATOM 1112 CE LYS B 8 12.059 1.579 -4.788 1.00 0.00 C ATOM 1113 NZ LYS B 8 12.433 2.715 -5.676 1.00 0.00 N ATOM 0 HA LYS B 8 10.831 2.796 0.554 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.948 0.933 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.930 2.459 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS B 8 12.383 0.681 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.974 0.301 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.118 2.975 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.810 2.680 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.833 0.812 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.139 1.101 -5.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 12.570 2.367 -6.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.675 3.427 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 13.316 3.146 -5.335 1.00 0.00 H new ATOM 1127 N LYS B 9 13.465 0.992 -0.067 1.00 0.00 N ATOM 1128 CA LYS B 9 14.341 -0.033 0.568 1.00 0.00 C ATOM 1129 C LYS B 9 14.640 0.364 2.014 1.00 0.00 C ATOM 1130 O LYS B 9 14.464 -0.414 2.930 1.00 0.00 O ATOM 1131 CB LYS B 9 15.621 -0.038 -0.267 1.00 0.00 C ATOM 1132 CG LYS B 9 16.178 -1.460 -0.339 1.00 0.00 C ATOM 1133 CD LYS B 9 17.689 -1.407 -0.574 1.00 0.00 C ATOM 1134 CE LYS B 9 17.974 -1.436 -2.078 1.00 0.00 C ATOM 1135 NZ LYS B 9 19.226 -0.647 -2.248 1.00 0.00 N ATOM 0 H LYS B 9 13.841 1.424 -0.911 1.00 0.00 H new ATOM 0 HA LYS B 9 13.876 -1.019 0.596 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.415 0.334 -1.270 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.359 0.631 0.176 1.00 0.00 H new ATOM 0 HG2 LYS B 9 15.962 -1.993 0.587 1.00 0.00 H new ATOM 0 HG3 LYS B 9 15.693 -2.011 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.105 -0.502 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.174 -2.252 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.100 -2.458 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS B 9 17.152 -0.998 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 19.486 -0.621 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 19.074 0.323 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.993 -1.091 -1.704 1.00 0.00 H new ATOM 1149 N ALA B 10 15.084 1.573 2.228 1.00 0.00 N ATOM 1150 CA ALA B 10 15.383 2.017 3.618 1.00 0.00 C ATOM 1151 C ALA B 10 14.132 1.865 4.485 1.00 0.00 C ATOM 1152 O ALA B 10 14.209 1.556 5.658 1.00 0.00 O ATOM 1153 CB ALA B 10 15.777 3.489 3.490 1.00 0.00 C ATOM 0 H ALA B 10 15.252 2.270 1.502 1.00 0.00 H new ATOM 0 HA ALA B 10 16.173 1.430 4.086 1.00 0.00 H new ATOM 0 HB1 ALA B 10 16.013 3.890 4.476 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.651 3.577 2.844 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.949 4.051 3.059 1.00 0.00 H new ATOM 1159 N GLU B 11 12.978 2.071 3.910 1.00 0.00 N ATOM 1160 CA GLU B 11 11.717 1.930 4.692 1.00 0.00 C ATOM 1161 C GLU B 11 11.492 0.459 5.053 1.00 0.00 C ATOM 1162 O GLU B 11 11.083 0.133 6.150 1.00 0.00 O ATOM 1163 CB GLU B 11 10.613 2.434 3.760 1.00 0.00 C ATOM 1164 CG GLU B 11 9.314 2.607 4.551 1.00 0.00 C ATOM 1165 CD GLU B 11 8.678 3.954 4.203 1.00 0.00 C ATOM 1166 OE1 GLU B 11 9.416 4.915 4.057 1.00 0.00 O ATOM 1167 OE2 GLU B 11 7.465 4.002 4.088 1.00 0.00 O ATOM 0 H GLU B 11 12.854 2.331 2.932 1.00 0.00 H new ATOM 0 HA GLU B 11 11.740 2.489 5.627 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.907 3.383 3.311 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.462 1.728 2.943 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.624 1.796 4.318 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.518 2.555 5.621 1.00 0.00 H new ATOM 1174 N ALA B 12 11.760 -0.431 4.136 1.00 0.00 N ATOM 1175 CA ALA B 12 11.569 -1.882 4.424 1.00 0.00 C ATOM 1176 C ALA B 12 12.506 -2.319 5.552 1.00 0.00 C ATOM 1177 O ALA B 12 12.159 -3.142 6.376 1.00 0.00 O ATOM 1178 CB ALA B 12 11.928 -2.595 3.120 1.00 0.00 C ATOM 0 H ALA B 12 12.103 -0.216 3.200 1.00 0.00 H new ATOM 0 HA ALA B 12 10.553 -2.112 4.746 1.00 0.00 H new ATOM 0 HB1 ALA B 12 11.813 -3.671 3.250 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.267 -2.253 2.324 1.00 0.00 H new ATOM 0 HB3 ALA B 12 12.961 -2.370 2.855 1.00 0.00 H new ATOM 1184 N VAL B 13 13.689 -1.770 5.597 1.00 0.00 N ATOM 1185 CA VAL B 13 14.648 -2.151 6.674 1.00 0.00 C ATOM 1186 C VAL B 13 14.067 -1.794 8.044 1.00 0.00 C ATOM 1187 O VAL B 13 14.145 -2.563 8.982 1.00 0.00 O ATOM 1188 CB VAL B 13 15.904 -1.326 6.394 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.972 -1.647 7.442 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.440 -1.670 5.002 1.00 0.00 C ATOM 0 H VAL B 13 14.033 -1.074 4.935 1.00 0.00 H new ATOM 0 HA VAL B 13 14.857 -3.221 6.684 1.00 0.00 H new ATOM 0 HB VAL B 13 15.658 -0.265 6.439 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.867 -1.058 7.241 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.593 -1.404 8.434 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.218 -2.708 7.398 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.336 -1.082 4.801 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.685 -2.731 4.959 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.681 -1.442 4.253 1.00 0.00 H new ATOM 1200 N ALA B 14 13.482 -0.633 8.167 1.00 0.00 N ATOM 1201 CA ALA B 14 12.893 -0.229 9.476 1.00 0.00 C ATOM 1202 C ALA B 14 11.810 -1.225 9.896 1.00 0.00 C ATOM 1203 O ALA B 14 11.644 -1.522 11.062 1.00 0.00 O ATOM 1204 CB ALA B 14 12.286 1.152 9.226 1.00 0.00 C ATOM 0 H ALA B 14 13.387 0.053 7.418 1.00 0.00 H new ATOM 0 HA ALA B 14 13.633 -0.209 10.276 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.830 1.521 10.145 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.068 1.841 8.907 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.526 1.080 8.448 1.00 0.00 H new ATOM 1210 N THR B 15 11.073 -1.745 8.953 1.00 0.00 N ATOM 1211 CA THR B 15 10.003 -2.723 9.299 1.00 0.00 C ATOM 1212 C THR B 15 10.629 -4.024 9.808 1.00 0.00 C ATOM 1213 O THR B 15 10.243 -4.551 10.832 1.00 0.00 O ATOM 1214 CB THR B 15 9.249 -2.965 7.991 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.488 -1.810 7.666 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.316 -4.166 8.152 1.00 0.00 C ATOM 0 H THR B 15 11.165 -1.535 7.959 1.00 0.00 H new ATOM 0 HA THR B 15 9.343 -2.357 10.085 1.00 0.00 H new ATOM 0 HB THR B 15 9.962 -3.168 7.192 1.00 0.00 H new ATOM 0 HG1 THR B 15 8.005 -1.962 6.827 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.779 -4.337 7.219 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.902 -5.051 8.401 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.601 -3.967 8.951 1.00 0.00 H new ATOM 1224 N VAL B 16 11.593 -4.546 9.100 1.00 0.00 N ATOM 1225 CA VAL B 16 12.242 -5.811 9.545 1.00 0.00 C ATOM 1226 C VAL B 16 12.899 -5.613 10.914 1.00 0.00 C ATOM 1227 O VAL B 16 12.779 -6.439 11.797 1.00 0.00 O ATOM 1228 CB VAL B 16 13.296 -6.111 8.480 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.163 -7.286 8.934 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.600 -6.472 7.165 1.00 0.00 C ATOM 0 H VAL B 16 11.959 -4.151 8.233 1.00 0.00 H new ATOM 0 HA VAL B 16 11.528 -6.628 9.651 1.00 0.00 H new ATOM 0 HB VAL B 16 13.924 -5.232 8.333 1.00 0.00 H new ATOM 0 HG11 VAL B 16 14.914 -7.499 8.174 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.658 -7.032 9.872 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.536 -8.165 9.081 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.350 -6.686 6.403 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.973 -7.351 7.315 1.00 0.00 H new ATOM 0 HG23 VAL B 16 11.981 -5.636 6.839 1.00 0.00 H new ATOM 1240 N VAL B 17 13.591 -4.521 11.098 1.00 0.00 N ATOM 1241 CA VAL B 17 14.252 -4.270 12.412 1.00 0.00 C ATOM 1242 C VAL B 17 13.207 -4.263 13.533 1.00 0.00 C ATOM 1243 O VAL B 17 13.374 -4.899 14.554 1.00 0.00 O ATOM 1244 CB VAL B 17 14.898 -2.891 12.273 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.342 -2.394 13.649 1.00 0.00 C ATOM 1246 CG2 VAL B 17 16.115 -2.989 11.349 1.00 0.00 C ATOM 0 H VAL B 17 13.727 -3.793 10.397 1.00 0.00 H new ATOM 0 HA VAL B 17 14.983 -5.039 12.662 1.00 0.00 H new ATOM 0 HB VAL B 17 14.176 -2.193 11.851 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.802 -1.411 13.550 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.476 -2.324 14.307 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.064 -3.092 14.072 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.576 -2.006 11.249 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.837 -3.688 11.771 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.799 -3.343 10.368 1.00 0.00 H new ATOM 1256 N ALA B 18 12.130 -3.549 13.346 1.00 0.00 N ATOM 1257 CA ALA B 18 11.074 -3.499 14.398 1.00 0.00 C ATOM 1258 C ALA B 18 10.524 -4.904 14.660 1.00 0.00 C ATOM 1259 O ALA B 18 10.264 -5.279 15.785 1.00 0.00 O ATOM 1260 CB ALA B 18 9.985 -2.593 13.822 1.00 0.00 C ATOM 0 H ALA B 18 11.936 -2.998 12.510 1.00 0.00 H new ATOM 0 HA ALA B 18 11.453 -3.125 15.349 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.169 -2.505 14.539 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.401 -1.606 13.622 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.608 -3.022 12.894 1.00 0.00 H new ATOM 1266 N ALA B 19 10.346 -5.683 13.628 1.00 0.00 N ATOM 1267 CA ALA B 19 9.814 -7.063 13.820 1.00 0.00 C ATOM 1268 C ALA B 19 10.830 -7.914 14.584 1.00 0.00 C ATOM 1269 O ALA B 19 10.485 -8.640 15.495 1.00 0.00 O ATOM 1270 CB ALA B 19 9.610 -7.610 12.407 1.00 0.00 C ATOM 0 H ALA B 19 10.545 -5.425 12.662 1.00 0.00 H new ATOM 0 HA ALA B 19 8.889 -7.075 14.397 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.219 -8.626 12.463 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.902 -6.978 11.871 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.563 -7.617 11.878 1.00 0.00 H new ATOM 1276 N VAL B 20 12.081 -7.829 14.224 1.00 0.00 N ATOM 1277 CA VAL B 20 13.116 -8.634 14.933 1.00 0.00 C ATOM 1278 C VAL B 20 13.209 -8.200 16.398 1.00 0.00 C ATOM 1279 O VAL B 20 13.213 -9.018 17.297 1.00 0.00 O ATOM 1280 CB VAL B 20 14.423 -8.337 14.201 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.582 -9.006 14.939 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.343 -8.884 12.774 1.00 0.00 C ATOM 0 H VAL B 20 12.431 -7.238 13.470 1.00 0.00 H new ATOM 0 HA VAL B 20 12.884 -9.699 14.931 1.00 0.00 H new ATOM 0 HB VAL B 20 14.586 -7.260 14.169 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.516 -8.795 14.418 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.638 -8.618 15.956 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.420 -10.083 14.971 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.275 -8.673 12.250 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.181 -9.961 12.806 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.516 -8.408 12.248 1.00 0.00 H new ATOM 1292 N ASP B 21 13.277 -6.921 16.648 1.00 0.00 N ATOM 1293 CA ASP B 21 13.361 -6.444 18.058 1.00 0.00 C ATOM 1294 C ASP B 21 12.187 -7.005 18.861 1.00 0.00 C ATOM 1295 O ASP B 21 12.324 -7.370 20.012 1.00 0.00 O ATOM 1296 CB ASP B 21 13.273 -4.920 17.970 1.00 0.00 C ATOM 1297 CG ASP B 21 13.979 -4.295 19.176 1.00 0.00 C ATOM 1298 OD1 ASP B 21 13.408 -4.327 20.253 1.00 0.00 O ATOM 1299 OD2 ASP B 21 15.077 -3.795 19.000 1.00 0.00 O ATOM 0 H ASP B 21 13.278 -6.187 15.939 1.00 0.00 H new ATOM 0 HA ASP B 21 14.277 -6.766 18.554 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.733 -4.572 17.045 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.229 -4.607 17.944 1.00 0.00 H new ATOM 1304 N GLN B 22 11.033 -7.080 18.257 1.00 0.00 N ATOM 1305 CA GLN B 22 9.846 -7.621 18.976 1.00 0.00 C ATOM 1306 C GLN B 22 10.082 -9.087 19.344 1.00 0.00 C ATOM 1307 O GLN B 22 9.679 -9.548 20.393 1.00 0.00 O ATOM 1308 CB GLN B 22 8.692 -7.496 17.978 1.00 0.00 C ATOM 1309 CG GLN B 22 7.379 -7.291 18.735 1.00 0.00 C ATOM 1310 CD GLN B 22 7.288 -5.844 19.223 1.00 0.00 C ATOM 1311 OE1 GLN B 22 7.399 -5.580 20.404 1.00 0.00 O ATOM 1312 NE2 GLN B 22 7.088 -4.888 18.357 1.00 0.00 N ATOM 0 H GLN B 22 10.861 -6.789 17.295 1.00 0.00 H new ATOM 0 HA GLN B 22 9.641 -7.088 19.904 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.870 -6.658 17.304 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.632 -8.393 17.362 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.534 -7.520 18.086 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.325 -7.975 19.582 1.00 0.00 H new ATOM 0 HE21 GLN B 22 6.995 -5.109 17.366 1.00 0.00 H new ATOM 0 HE22 GLN B 22 7.025 -3.920 18.672 1.00 0.00 H new ATOM 1321 N ALA B 23 10.735 -9.823 18.486 1.00 0.00 N ATOM 1322 CA ALA B 23 11.001 -11.260 18.781 1.00 0.00 C ATOM 1323 C ALA B 23 11.925 -11.391 19.996 1.00 0.00 C ATOM 1324 O ALA B 23 11.751 -12.259 20.827 1.00 0.00 O ATOM 1325 CB ALA B 23 11.686 -11.801 17.525 1.00 0.00 C ATOM 0 H ALA B 23 11.096 -9.490 17.592 1.00 0.00 H new ATOM 0 HA ALA B 23 10.089 -11.808 19.017 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.916 -12.858 17.662 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.022 -11.682 16.669 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.609 -11.249 17.348 1.00 0.00 H new ATOM 1331 N ARG B 24 12.906 -10.535 20.105 1.00 0.00 N ATOM 1332 CA ARG B 24 13.836 -10.617 21.267 1.00 0.00 C ATOM 1333 C ARG B 24 13.061 -10.387 22.572 1.00 0.00 C ATOM 1334 O ARG B 24 13.236 -11.096 23.544 1.00 0.00 O ATOM 1335 CB ARG B 24 14.890 -9.520 21.007 1.00 0.00 C ATOM 1336 CG ARG B 24 14.730 -8.342 21.980 1.00 0.00 C ATOM 1337 CD ARG B 24 15.980 -7.461 21.920 1.00 0.00 C ATOM 1338 NE ARG B 24 15.889 -6.587 23.123 1.00 0.00 N ATOM 1339 CZ ARG B 24 16.967 -6.046 23.626 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.133 -6.268 23.082 1.00 0.00 N ATOM 1341 NH2 ARG B 24 16.876 -5.278 24.678 1.00 0.00 N ATOM 0 H ARG B 24 13.103 -9.785 19.442 1.00 0.00 H new ATOM 0 HA ARG B 24 14.311 -11.593 21.371 1.00 0.00 H new ATOM 0 HB2 ARG B 24 15.889 -9.943 21.108 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.798 -9.161 19.982 1.00 0.00 H new ATOM 0 HG2 ARG B 24 13.847 -7.758 21.720 1.00 0.00 H new ATOM 0 HG3 ARG B 24 14.580 -8.711 22.994 1.00 0.00 H new ATOM 0 HD2 ARG B 24 16.889 -8.063 21.936 1.00 0.00 H new ATOM 0 HD3 ARG B 24 16.004 -6.871 21.004 1.00 0.00 H new ATOM 0 HE ARG B 24 14.982 -6.410 23.555 1.00 0.00 H new ATOM 0 HH11 ARG B 24 18.206 -6.867 22.259 1.00 0.00 H new ATOM 0 HH12 ARG B 24 18.971 -5.843 23.480 1.00 0.00 H new ATOM 0 HH21 ARG B 24 15.966 -5.102 25.104 1.00 0.00 H new ATOM 0 HH22 ARG B 24 17.715 -4.854 25.074 1.00 0.00 H new