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 19:sc= 0.741 USER MOD Single : A 9 GLN : amide:sc= -0.189 K(o=-0.19,f=-3!) USER MOD Single : A 13 SER OG : rot -91:sc= -4.21! 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= -2.58 K(o=-2.6,f=-4.1!) USER MOD Single : A 39 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.14) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 88:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -130:sc= -4.24! (180deg=-7.07!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 78:sc= 0.595 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 73:sc= -4.26! 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 82:sc= 0.0799 USER MOD Single : B 22 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 0.960 -7.680 9.457 1.00 0.00 N ATOM 67 CA THR A 6 2.319 -7.439 10.022 1.00 0.00 C ATOM 68 C THR A 6 3.315 -8.453 9.451 1.00 0.00 C ATOM 69 O THR A 6 4.420 -8.110 9.082 1.00 0.00 O ATOM 70 CB THR A 6 2.162 -7.631 11.531 1.00 0.00 C ATOM 71 OG1 THR A 6 0.918 -7.085 11.950 1.00 0.00 O ATOM 72 CG2 THR A 6 3.304 -6.922 12.259 1.00 0.00 C ATOM 0 HA THR A 6 2.699 -6.447 9.776 1.00 0.00 H new ATOM 0 HB THR A 6 2.190 -8.695 11.767 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.323 -6.996 11.177 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.191 -7.060 13.334 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.257 -7.342 11.938 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.280 -5.858 12.025 1.00 0.00 H new ATOM 80 N ALA A 7 2.930 -9.698 9.375 1.00 0.00 N ATOM 81 CA ALA A 7 3.856 -10.729 8.825 1.00 0.00 C ATOM 82 C ALA A 7 4.036 -10.517 7.323 1.00 0.00 C ATOM 83 O ALA A 7 5.126 -10.619 6.796 1.00 0.00 O ATOM 84 CB ALA A 7 3.176 -12.070 9.107 1.00 0.00 C ATOM 0 H ALA A 7 2.017 -10.045 9.669 1.00 0.00 H new ATOM 0 HA ALA A 7 4.848 -10.681 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.800 -12.881 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.037 -12.189 10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.206 -12.098 8.611 1.00 0.00 H new ATOM 90 N GLU A 8 2.974 -10.215 6.629 1.00 0.00 N ATOM 91 CA GLU A 8 3.085 -9.987 5.161 1.00 0.00 C ATOM 92 C GLU A 8 4.049 -8.830 4.889 1.00 0.00 C ATOM 93 O GLU A 8 4.799 -8.844 3.934 1.00 0.00 O ATOM 94 CB GLU A 8 1.670 -9.627 4.707 1.00 0.00 C ATOM 95 CG GLU A 8 1.485 -10.026 3.242 1.00 0.00 C ATOM 96 CD GLU A 8 0.815 -11.400 3.169 1.00 0.00 C ATOM 97 OE1 GLU A 8 0.753 -12.061 4.191 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.373 -11.765 2.092 1.00 0.00 O ATOM 0 H GLU A 8 2.035 -10.116 7.014 1.00 0.00 H new ATOM 0 HA GLU A 8 3.469 -10.858 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.936 -10.139 5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.499 -8.557 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.875 -9.284 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.450 -10.053 2.736 1.00 0.00 H new ATOM 105 N GLN A 9 4.030 -7.828 5.725 1.00 0.00 N ATOM 106 CA GLN A 9 4.942 -6.667 5.519 1.00 0.00 C ATOM 107 C GLN A 9 6.402 -7.107 5.661 1.00 0.00 C ATOM 108 O GLN A 9 7.250 -6.732 4.876 1.00 0.00 O ATOM 109 CB GLN A 9 4.572 -5.672 6.620 1.00 0.00 C ATOM 110 CG GLN A 9 4.547 -4.258 6.038 1.00 0.00 C ATOM 111 CD GLN A 9 4.670 -3.236 7.171 1.00 0.00 C ATOM 112 OE1 GLN A 9 5.123 -3.562 8.250 1.00 0.00 O ATOM 113 NE2 GLN A 9 4.283 -2.007 6.969 1.00 0.00 N ATOM 0 H GLN A 9 3.422 -7.763 6.542 1.00 0.00 H new ATOM 0 HA GLN A 9 4.838 -6.232 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.597 -5.922 7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.294 -5.729 7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.365 -4.131 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.620 -4.096 5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.903 -1.734 6.063 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.361 -1.318 7.717 1.00 0.00 H new ATOM 122 N VAL A 10 6.703 -7.898 6.655 1.00 0.00 N ATOM 123 CA VAL A 10 8.110 -8.358 6.839 1.00 0.00 C ATOM 124 C VAL A 10 8.587 -9.089 5.581 1.00 0.00 C ATOM 125 O VAL A 10 9.685 -8.877 5.106 1.00 0.00 O ATOM 126 CB VAL A 10 8.063 -9.312 8.033 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.396 -10.053 8.150 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.812 -8.509 9.313 1.00 0.00 C ATOM 0 H VAL A 10 6.038 -8.245 7.346 1.00 0.00 H new ATOM 0 HA VAL A 10 8.800 -7.532 7.010 1.00 0.00 H new ATOM 0 HB VAL A 10 7.259 -10.034 7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.361 -10.733 9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.577 -10.623 7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.201 -9.333 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.778 -9.186 10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.617 -7.788 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.862 -7.981 9.231 1.00 0.00 H new ATOM 138 N ILE A 11 7.763 -9.938 5.032 1.00 0.00 N ATOM 139 CA ILE A 11 8.159 -10.672 3.798 1.00 0.00 C ATOM 140 C ILE A 11 8.362 -9.673 2.657 1.00 0.00 C ATOM 141 O ILE A 11 9.369 -9.688 1.978 1.00 0.00 O ATOM 142 CB ILE A 11 6.990 -11.609 3.497 1.00 0.00 C ATOM 143 CG1 ILE A 11 6.990 -12.766 4.499 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.137 -12.165 2.079 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.556 -13.054 4.949 1.00 0.00 C ATOM 0 H ILE A 11 6.831 -10.155 5.385 1.00 0.00 H new ATOM 0 HA ILE A 11 9.091 -11.225 3.916 1.00 0.00 H new ATOM 0 HB ILE A 11 6.053 -11.058 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.425 -13.656 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.609 -12.515 5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.304 -12.834 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.138 -11.342 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.074 -12.715 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.557 -13.878 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.138 -12.165 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.950 -13.324 4.084 1.00 0.00 H new ATOM 157 N ALA A 12 7.419 -8.792 2.453 1.00 0.00 N ATOM 158 CA ALA A 12 7.574 -7.784 1.369 1.00 0.00 C ATOM 159 C ALA A 12 8.848 -6.983 1.617 1.00 0.00 C ATOM 160 O ALA A 12 9.625 -6.735 0.716 1.00 0.00 O ATOM 161 CB ALA A 12 6.338 -6.891 1.467 1.00 0.00 C ATOM 0 H ALA A 12 6.553 -8.728 2.988 1.00 0.00 H new ATOM 0 HA ALA A 12 7.655 -8.232 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.383 -6.122 0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.441 -7.494 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.307 -6.419 2.449 1.00 0.00 H new ATOM 167 N SER A 13 9.085 -6.597 2.842 1.00 0.00 N ATOM 168 CA SER A 13 10.327 -5.841 3.144 1.00 0.00 C ATOM 169 C SER A 13 11.525 -6.743 2.852 1.00 0.00 C ATOM 170 O SER A 13 12.467 -6.347 2.197 1.00 0.00 O ATOM 171 CB SER A 13 10.248 -5.508 4.633 1.00 0.00 C ATOM 172 OG SER A 13 9.533 -6.534 5.306 1.00 0.00 O ATOM 0 H SER A 13 8.474 -6.773 3.640 1.00 0.00 H new ATOM 0 HA SER A 13 10.434 -4.935 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.251 -5.414 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.752 -4.548 4.777 1.00 0.00 H new ATOM 0 HG SER A 13 8.580 -6.307 5.329 1.00 0.00 H new ATOM 178 N PHE A 14 11.479 -7.969 3.312 1.00 0.00 N ATOM 179 CA PHE A 14 12.602 -8.910 3.039 1.00 0.00 C ATOM 180 C PHE A 14 12.758 -9.078 1.531 1.00 0.00 C ATOM 181 O PHE A 14 13.850 -9.063 1.000 1.00 0.00 O ATOM 182 CB PHE A 14 12.181 -10.231 3.684 1.00 0.00 C ATOM 183 CG PHE A 14 12.777 -10.335 5.069 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.166 -10.317 5.238 1.00 0.00 C ATOM 185 CD2 PHE A 14 11.938 -10.453 6.183 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.717 -10.416 6.521 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.487 -10.552 7.466 1.00 0.00 C ATOM 188 CZ PHE A 14 13.877 -10.533 7.636 1.00 0.00 C ATOM 0 H PHE A 14 10.713 -8.356 3.863 1.00 0.00 H new ATOM 0 HA PHE A 14 13.555 -8.558 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.094 -10.289 3.740 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.514 -11.068 3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.813 -10.227 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.866 -10.468 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.789 -10.402 6.651 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.839 -10.643 8.325 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.301 -10.609 8.626 1.00 0.00 H new ATOM 198 N ARG A 15 11.664 -9.220 0.833 1.00 0.00 N ATOM 199 CA ARG A 15 11.742 -9.367 -0.645 1.00 0.00 C ATOM 200 C ARG A 15 12.562 -8.210 -1.210 1.00 0.00 C ATOM 201 O ARG A 15 13.375 -8.381 -2.097 1.00 0.00 O ATOM 202 CB ARG A 15 10.290 -9.296 -1.125 1.00 0.00 C ATOM 203 CG ARG A 15 10.182 -9.877 -2.536 1.00 0.00 C ATOM 204 CD ARG A 15 8.859 -9.435 -3.169 1.00 0.00 C ATOM 205 NE ARG A 15 8.280 -10.674 -3.761 1.00 0.00 N ATOM 206 CZ ARG A 15 7.000 -10.747 -4.011 1.00 0.00 C ATOM 207 NH1 ARG A 15 6.217 -9.738 -3.738 1.00 0.00 N ATOM 208 NH2 ARG A 15 6.500 -11.833 -4.536 1.00 0.00 N ATOM 0 H ARG A 15 10.722 -9.240 1.223 1.00 0.00 H new ATOM 0 HA ARG A 15 12.218 -10.294 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.644 -9.850 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.946 -8.262 -1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.020 -9.539 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.234 -10.965 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.190 -9.004 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.022 -8.673 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 15 8.885 -11.468 -3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.604 -8.888 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.218 -9.800 -3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.109 -12.623 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.501 -11.891 -4.732 1.00 0.00 H new ATOM 222 N ILE A 16 12.360 -7.030 -0.686 1.00 0.00 N ATOM 223 CA ILE A 16 13.133 -5.852 -1.176 1.00 0.00 C ATOM 224 C ILE A 16 14.615 -6.001 -0.813 1.00 0.00 C ATOM 225 O ILE A 16 15.486 -5.763 -1.627 1.00 0.00 O ATOM 226 CB ILE A 16 12.524 -4.649 -0.454 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.151 -4.337 -1.054 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.439 -3.435 -0.621 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.439 -3.296 -0.190 1.00 0.00 C ATOM 0 H ILE A 16 11.693 -6.831 0.060 1.00 0.00 H new ATOM 0 HA ILE A 16 13.080 -5.747 -2.260 1.00 0.00 H new ATOM 0 HB ILE A 16 12.416 -4.879 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.264 -3.964 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.553 -5.247 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.004 -2.578 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.418 -3.656 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.548 -3.205 -1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.461 -3.075 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.313 -3.686 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.035 -2.384 -0.155 1.00 0.00 H new ATOM 241 N LEU A 17 14.916 -6.396 0.399 1.00 0.00 N ATOM 242 CA LEU A 17 16.349 -6.556 0.788 1.00 0.00 C ATOM 243 C LEU A 17 17.030 -7.554 -0.151 1.00 0.00 C ATOM 244 O LEU A 17 18.147 -7.353 -0.586 1.00 0.00 O ATOM 245 CB LEU A 17 16.337 -7.105 2.219 1.00 0.00 C ATOM 246 CG LEU A 17 15.419 -6.260 3.105 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.757 -6.517 4.576 1.00 0.00 C ATOM 248 CD2 LEU A 17 15.615 -4.773 2.796 1.00 0.00 C ATOM 0 H LEU A 17 14.238 -6.613 1.129 1.00 0.00 H new ATOM 0 HA LEU A 17 16.894 -5.614 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.997 -8.141 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.349 -7.103 2.625 1.00 0.00 H new ATOM 0 HG LEU A 17 14.383 -6.534 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.105 -5.916 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.612 -7.573 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.796 -6.245 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.958 -4.180 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.652 -4.495 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.376 -4.584 1.750 1.00 0.00 H new ATOM 260 N ALA A 18 16.361 -8.629 -0.467 1.00 0.00 N ATOM 261 CA ALA A 18 16.963 -9.642 -1.380 1.00 0.00 C ATOM 262 C ALA A 18 16.839 -9.185 -2.836 1.00 0.00 C ATOM 263 O ALA A 18 17.199 -9.897 -3.752 1.00 0.00 O ATOM 264 CB ALA A 18 16.149 -10.915 -1.146 1.00 0.00 C ATOM 0 H ALA A 18 15.423 -8.850 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 18 18.025 -9.794 -1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.530 -11.713 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.233 -11.214 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.103 -10.727 -1.387 1.00 0.00 H new ATOM 270 N SER A 19 16.331 -8.003 -3.056 1.00 0.00 N ATOM 271 CA SER A 19 16.186 -7.503 -4.453 1.00 0.00 C ATOM 272 C SER A 19 15.184 -8.368 -5.224 1.00 0.00 C ATOM 273 O SER A 19 15.539 -9.065 -6.155 1.00 0.00 O ATOM 274 CB SER A 19 17.580 -7.624 -5.066 1.00 0.00 C ATOM 275 OG SER A 19 17.825 -6.498 -5.897 1.00 0.00 O ATOM 0 H SER A 19 16.010 -7.363 -2.330 1.00 0.00 H new ATOM 0 HA SER A 19 15.814 -6.479 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.332 -7.681 -4.279 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.656 -8.543 -5.647 1.00 0.00 H new ATOM 0 HG SER A 19 18.719 -6.571 -6.291 1.00 0.00 H new ATOM 281 N ASP A 20 13.936 -8.328 -4.847 1.00 0.00 N ATOM 282 CA ASP A 20 12.915 -9.149 -5.560 1.00 0.00 C ATOM 283 C ASP A 20 13.366 -10.610 -5.635 1.00 0.00 C ATOM 284 O ASP A 20 13.524 -11.166 -6.704 1.00 0.00 O ATOM 285 CB ASP A 20 12.826 -8.543 -6.961 1.00 0.00 C ATOM 286 CG ASP A 20 11.382 -8.123 -7.246 1.00 0.00 C ATOM 287 OD1 ASP A 20 10.486 -8.837 -6.831 1.00 0.00 O ATOM 288 OD2 ASP A 20 11.199 -7.093 -7.875 1.00 0.00 O ATOM 0 H ASP A 20 13.578 -7.763 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 20 11.952 -9.141 -5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.488 -7.681 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.158 -9.268 -7.704 1.00 0.00 H new ATOM 293 N LYS A 21 13.573 -11.237 -4.511 1.00 0.00 N ATOM 294 CA LYS A 21 14.013 -12.660 -4.521 1.00 0.00 C ATOM 295 C LYS A 21 13.366 -13.416 -3.360 1.00 0.00 C ATOM 296 O LYS A 21 13.216 -12.885 -2.278 1.00 0.00 O ATOM 297 CB LYS A 21 15.532 -12.607 -4.351 1.00 0.00 C ATOM 298 CG LYS A 21 16.168 -12.061 -5.632 1.00 0.00 C ATOM 299 CD LYS A 21 17.566 -12.655 -5.804 1.00 0.00 C ATOM 300 CE LYS A 21 18.127 -12.250 -7.168 1.00 0.00 C ATOM 301 NZ LYS A 21 19.555 -11.913 -6.912 1.00 0.00 N ATOM 0 H LYS A 21 13.456 -10.825 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 21 13.726 -13.177 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.792 -11.973 -3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.920 -13.602 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.548 -12.310 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.227 -10.974 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.223 -12.302 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.524 -13.741 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.036 -13.062 -7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.588 -11.397 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.009 -11.625 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.610 -11.132 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.045 -12.746 -6.528 1.00 0.00 H new ATOM 315 N PRO A 22 13.005 -14.640 -3.630 1.00 0.00 N ATOM 316 CA PRO A 22 12.369 -15.458 -2.564 1.00 0.00 C ATOM 317 C PRO A 22 13.395 -15.812 -1.484 1.00 0.00 C ATOM 318 O PRO A 22 13.074 -16.429 -0.488 1.00 0.00 O ATOM 319 CB PRO A 22 11.887 -16.713 -3.287 1.00 0.00 C ATOM 320 CG PRO A 22 11.795 -16.327 -4.727 1.00 0.00 C ATOM 321 CD PRO A 22 12.809 -15.240 -4.956 1.00 0.00 C ATOM 0 HA PRO A 22 11.556 -14.935 -2.060 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.582 -17.540 -3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.920 -17.040 -2.905 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.996 -17.184 -5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.792 -15.976 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.741 -15.643 -5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.448 -14.505 -5.676 1.00 0.00 H new ATOM 329 N TYR A 23 14.628 -15.425 -1.673 1.00 0.00 N ATOM 330 CA TYR A 23 15.670 -15.739 -0.653 1.00 0.00 C ATOM 331 C TYR A 23 16.660 -14.577 -0.539 1.00 0.00 C ATOM 332 O TYR A 23 16.872 -13.837 -1.477 1.00 0.00 O ATOM 333 CB TYR A 23 16.370 -16.994 -1.173 1.00 0.00 C ATOM 334 CG TYR A 23 16.851 -16.754 -2.583 1.00 0.00 C ATOM 335 CD1 TYR A 23 17.891 -15.848 -2.822 1.00 0.00 C ATOM 336 CD2 TYR A 23 16.259 -17.437 -3.651 1.00 0.00 C ATOM 337 CE1 TYR A 23 18.339 -15.625 -4.130 1.00 0.00 C ATOM 338 CE2 TYR A 23 16.706 -17.215 -4.958 1.00 0.00 C ATOM 339 CZ TYR A 23 17.745 -16.309 -5.199 1.00 0.00 C ATOM 340 OH TYR A 23 18.186 -16.089 -6.488 1.00 0.00 O ATOM 0 H TYR A 23 14.958 -14.907 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 23 15.246 -15.894 0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.212 -17.247 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.685 -17.841 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 23 18.348 -15.321 -1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.457 -18.136 -3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 23 19.142 -14.926 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 23 16.249 -17.743 -5.782 1.00 0.00 H new ATOM 0 HH TYR A 23 17.669 -16.643 -7.110 1.00 0.00 H new ATOM 350 N ILE A 24 17.265 -14.410 0.605 1.00 0.00 N ATOM 351 CA ILE A 24 18.238 -13.291 0.773 1.00 0.00 C ATOM 352 C ILE A 24 19.603 -13.833 1.206 1.00 0.00 C ATOM 353 O ILE A 24 19.697 -14.819 1.909 1.00 0.00 O ATOM 354 CB ILE A 24 17.637 -12.406 1.869 1.00 0.00 C ATOM 355 CG1 ILE A 24 18.340 -11.046 1.869 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.823 -13.078 3.230 1.00 0.00 C ATOM 357 CD1 ILE A 24 17.932 -10.259 3.115 1.00 0.00 C ATOM 0 H ILE A 24 17.129 -14.997 1.428 1.00 0.00 H new ATOM 0 HA ILE A 24 18.398 -12.741 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 24 16.573 -12.265 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.421 -11.184 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 24 18.075 -10.488 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.395 -12.447 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.321 -14.045 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.886 -13.221 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 24 18.433 -9.291 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 24 16.852 -10.109 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.219 -10.815 4.007 1.00 0.00 H new ATOM 369 N LEU A 25 20.663 -13.193 0.792 1.00 0.00 N ATOM 370 CA LEU A 25 22.020 -13.668 1.181 1.00 0.00 C ATOM 371 C LEU A 25 22.353 -13.192 2.596 1.00 0.00 C ATOM 372 O LEU A 25 22.024 -12.089 2.985 1.00 0.00 O ATOM 373 CB LEU A 25 22.968 -13.035 0.162 1.00 0.00 C ATOM 374 CG LEU A 25 22.828 -13.750 -1.181 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.124 -12.829 -2.178 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.219 -14.107 -1.711 1.00 0.00 C ATOM 0 H LEU A 25 20.647 -12.362 0.201 1.00 0.00 H new ATOM 0 HA LEU A 25 22.096 -14.755 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.740 -11.975 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.997 -13.103 0.516 1.00 0.00 H new ATOM 0 HG LEU A 25 22.241 -14.660 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.024 -13.339 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 25 21.135 -12.571 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 25 22.710 -11.920 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.123 -14.617 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.803 -13.196 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 25 24.722 -14.762 -1.000 1.00 0.00 H new ATOM 388 N ALA A 26 23.000 -14.016 3.371 1.00 0.00 N ATOM 389 CA ALA A 26 23.350 -13.612 4.763 1.00 0.00 C ATOM 390 C ALA A 26 24.246 -12.369 4.751 1.00 0.00 C ATOM 391 O ALA A 26 24.093 -11.475 5.557 1.00 0.00 O ATOM 392 CB ALA A 26 24.098 -14.809 5.347 1.00 0.00 C ATOM 0 H ALA A 26 23.302 -14.952 3.102 1.00 0.00 H new ATOM 0 HA ALA A 26 22.468 -13.356 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.391 -14.589 6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.449 -15.685 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 26 24.988 -15.008 4.751 1.00 0.00 H new ATOM 398 N GLU A 27 25.179 -12.307 3.845 1.00 0.00 N ATOM 399 CA GLU A 27 26.079 -11.121 3.786 1.00 0.00 C ATOM 400 C GLU A 27 25.277 -9.869 3.425 1.00 0.00 C ATOM 401 O GLU A 27 25.557 -8.784 3.896 1.00 0.00 O ATOM 402 CB GLU A 27 27.079 -11.447 2.681 1.00 0.00 C ATOM 403 CG GLU A 27 28.265 -12.214 3.271 1.00 0.00 C ATOM 404 CD GLU A 27 28.956 -13.013 2.165 1.00 0.00 C ATOM 405 OE1 GLU A 27 28.680 -12.747 1.007 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.751 -13.878 2.494 1.00 0.00 O ATOM 0 H GLU A 27 25.358 -13.025 3.143 1.00 0.00 H new ATOM 0 HA GLU A 27 26.569 -10.923 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.598 -12.042 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.426 -10.528 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.970 -11.519 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 27 27.922 -12.885 4.059 1.00 0.00 H new ATOM 413 N GLU A 28 24.282 -10.012 2.594 1.00 0.00 N ATOM 414 CA GLU A 28 23.463 -8.829 2.204 1.00 0.00 C ATOM 415 C GLU A 28 22.644 -8.346 3.402 1.00 0.00 C ATOM 416 O GLU A 28 22.643 -7.179 3.736 1.00 0.00 O ATOM 417 CB GLU A 28 22.543 -9.332 1.093 1.00 0.00 C ATOM 418 CG GLU A 28 22.910 -8.650 -0.227 1.00 0.00 C ATOM 419 CD GLU A 28 23.918 -9.513 -0.987 1.00 0.00 C ATOM 420 OE1 GLU A 28 24.892 -9.926 -0.380 1.00 0.00 O ATOM 421 OE2 GLU A 28 23.699 -9.747 -2.164 1.00 0.00 O ATOM 0 H GLU A 28 24.001 -10.895 2.168 1.00 0.00 H new ATOM 0 HA GLU A 28 24.075 -7.990 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.635 -10.413 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.504 -9.123 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.016 -8.500 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.333 -7.664 -0.033 1.00 0.00 H new ATOM 428 N LEU A 29 21.950 -9.239 4.052 1.00 0.00 N ATOM 429 CA LEU A 29 21.136 -8.830 5.229 1.00 0.00 C ATOM 430 C LEU A 29 22.052 -8.376 6.368 1.00 0.00 C ATOM 431 O LEU A 29 21.721 -7.490 7.128 1.00 0.00 O ATOM 432 CB LEU A 29 20.332 -10.079 5.618 1.00 0.00 C ATOM 433 CG LEU A 29 21.147 -10.988 6.541 1.00 0.00 C ATOM 434 CD1 LEU A 29 21.076 -10.458 7.974 1.00 0.00 C ATOM 435 CD2 LEU A 29 20.570 -12.405 6.499 1.00 0.00 C ATOM 0 H LEU A 29 21.912 -10.231 3.819 1.00 0.00 H new ATOM 0 HA LEU A 29 20.476 -7.990 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.409 -9.782 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.047 -10.627 4.720 1.00 0.00 H new ATOM 0 HG LEU A 29 22.185 -11.004 6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.657 -11.106 8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.483 -9.447 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.038 -10.442 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.150 -13.053 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.532 -12.385 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.617 -12.787 5.479 1.00 0.00 H new ATOM 447 N ARG A 30 23.200 -8.983 6.493 1.00 0.00 N ATOM 448 CA ARG A 30 24.134 -8.592 7.588 1.00 0.00 C ATOM 449 C ARG A 30 24.713 -7.193 7.347 1.00 0.00 C ATOM 450 O ARG A 30 24.968 -6.452 8.276 1.00 0.00 O ATOM 451 CB ARG A 30 25.248 -9.636 7.561 1.00 0.00 C ATOM 452 CG ARG A 30 26.068 -9.531 8.848 1.00 0.00 C ATOM 453 CD ARG A 30 27.299 -10.434 8.749 1.00 0.00 C ATOM 454 NE ARG A 30 28.336 -9.598 8.083 1.00 0.00 N ATOM 455 CZ ARG A 30 29.606 -9.848 8.267 1.00 0.00 C ATOM 456 NH1 ARG A 30 29.979 -10.848 9.021 1.00 0.00 N ATOM 457 NH2 ARG A 30 30.507 -9.103 7.687 1.00 0.00 N ATOM 0 H ARG A 30 23.532 -9.732 5.885 1.00 0.00 H new ATOM 0 HA ARG A 30 23.625 -8.557 8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 30 24.824 -10.636 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 30 25.889 -9.479 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.375 -8.498 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.459 -9.822 9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.629 -10.761 9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.084 -11.332 8.170 1.00 0.00 H new ATOM 0 HE ARG A 30 28.054 -8.826 7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 30 29.278 -11.438 9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 30 30.971 -11.039 9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 30 30.220 -8.327 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 30 31.498 -9.297 7.830 1.00 0.00 H new ATOM 471 N ARG A 31 24.942 -6.830 6.116 1.00 0.00 N ATOM 472 CA ARG A 31 25.528 -5.486 5.838 1.00 0.00 C ATOM 473 C ARG A 31 24.439 -4.413 5.740 1.00 0.00 C ATOM 474 O ARG A 31 24.702 -3.239 5.913 1.00 0.00 O ATOM 475 CB ARG A 31 26.247 -5.634 4.499 1.00 0.00 C ATOM 476 CG ARG A 31 27.541 -4.818 4.524 1.00 0.00 C ATOM 477 CD ARG A 31 28.329 -5.056 3.232 1.00 0.00 C ATOM 478 NE ARG A 31 27.670 -4.193 2.207 1.00 0.00 N ATOM 479 CZ ARG A 31 26.650 -4.632 1.513 1.00 0.00 C ATOM 480 NH1 ARG A 31 26.192 -5.845 1.686 1.00 0.00 N ATOM 481 NH2 ARG A 31 26.085 -3.852 0.632 1.00 0.00 N ATOM 0 H ARG A 31 24.750 -7.401 5.293 1.00 0.00 H new ATOM 0 HA ARG A 31 26.198 -5.171 6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.470 -6.684 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.604 -5.291 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.311 -3.758 4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.144 -5.102 5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 31 29.378 -4.789 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.300 -6.106 2.941 1.00 0.00 H new ATOM 0 HE ARG A 31 28.019 -3.248 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 31 26.630 -6.463 2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 31 25.397 -6.173 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 31 26.438 -2.906 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 31 25.290 -4.188 0.088 1.00 0.00 H new ATOM 495 N GLU A 32 23.223 -4.791 5.455 1.00 0.00 N ATOM 496 CA GLU A 32 22.143 -3.764 5.343 1.00 0.00 C ATOM 497 C GLU A 32 21.457 -3.548 6.694 1.00 0.00 C ATOM 498 O GLU A 32 20.880 -2.508 6.945 1.00 0.00 O ATOM 499 CB GLU A 32 21.154 -4.337 4.332 1.00 0.00 C ATOM 500 CG GLU A 32 20.472 -5.569 4.926 1.00 0.00 C ATOM 501 CD GLU A 32 19.338 -6.022 4.004 1.00 0.00 C ATOM 502 OE1 GLU A 32 18.350 -5.309 3.919 1.00 0.00 O ATOM 503 OE2 GLU A 32 19.475 -7.072 3.397 1.00 0.00 O ATOM 0 H GLU A 32 22.930 -5.755 5.296 1.00 0.00 H new ATOM 0 HA GLU A 32 22.536 -2.796 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.408 -3.586 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.673 -4.604 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 32 21.197 -6.374 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.079 -5.338 5.916 1.00 0.00 H new ATOM 510 N LEU A 33 21.509 -4.516 7.564 1.00 0.00 N ATOM 511 CA LEU A 33 20.853 -4.355 8.890 1.00 0.00 C ATOM 512 C LEU A 33 21.895 -4.067 9.968 1.00 0.00 C ATOM 513 O LEU A 33 23.051 -4.414 9.828 1.00 0.00 O ATOM 514 CB LEU A 33 20.173 -5.696 9.157 1.00 0.00 C ATOM 515 CG LEU A 33 18.748 -5.664 8.603 1.00 0.00 C ATOM 516 CD1 LEU A 33 18.251 -7.096 8.393 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.830 -4.946 9.596 1.00 0.00 C ATOM 0 H LEU A 33 21.976 -5.410 7.415 1.00 0.00 H new ATOM 0 HA LEU A 33 20.147 -3.525 8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.738 -6.502 8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.154 -5.899 10.228 1.00 0.00 H new ATOM 0 HG LEU A 33 18.740 -5.133 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.235 -7.074 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.904 -7.608 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.259 -7.627 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.814 -4.923 9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.838 -5.477 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.184 -3.926 9.747 1.00 0.00 H new ATOM 529 N PRO A 34 21.443 -3.442 11.017 1.00 0.00 N ATOM 530 CA PRO A 34 22.374 -3.126 12.120 1.00 0.00 C ATOM 531 C PRO A 34 22.988 -4.417 12.665 1.00 0.00 C ATOM 532 O PRO A 34 22.328 -5.435 12.742 1.00 0.00 O ATOM 533 CB PRO A 34 21.504 -2.443 13.177 1.00 0.00 C ATOM 534 CG PRO A 34 20.155 -2.230 12.551 1.00 0.00 C ATOM 535 CD PRO A 34 20.248 -2.607 11.096 1.00 0.00 C ATOM 0 HA PRO A 34 23.203 -2.491 11.808 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.423 -3.062 14.071 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.942 -1.494 13.485 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.402 -2.837 13.054 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.847 -1.190 12.655 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.361 -3.149 10.768 1.00 0.00 H new ATOM 0 HD3 PRO A 34 20.336 -1.725 10.461 1.00 0.00 H new ATOM 543 N PRO A 35 24.242 -4.331 13.015 1.00 0.00 N ATOM 544 CA PRO A 35 24.941 -5.534 13.548 1.00 0.00 C ATOM 545 C PRO A 35 24.006 -6.361 14.437 1.00 0.00 C ATOM 546 O PRO A 35 23.962 -7.572 14.349 1.00 0.00 O ATOM 547 CB PRO A 35 26.100 -4.967 14.368 1.00 0.00 C ATOM 548 CG PRO A 35 26.276 -3.567 13.883 1.00 0.00 C ATOM 549 CD PRO A 35 24.927 -3.097 13.417 1.00 0.00 C ATOM 0 HA PRO A 35 25.277 -6.202 12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 35 25.875 -4.989 15.434 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.008 -5.551 14.222 1.00 0.00 H new ATOM 0 HG2 PRO A 35 26.655 -2.927 14.680 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.001 -3.528 13.070 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.387 -2.581 14.211 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.013 -2.399 12.585 1.00 0.00 H new ATOM 557 N ASP A 36 23.263 -5.721 15.296 1.00 0.00 N ATOM 558 CA ASP A 36 22.340 -6.474 16.194 1.00 0.00 C ATOM 559 C ASP A 36 21.226 -7.157 15.391 1.00 0.00 C ATOM 560 O ASP A 36 20.913 -8.312 15.609 1.00 0.00 O ATOM 561 CB ASP A 36 21.754 -5.420 17.135 1.00 0.00 C ATOM 562 CG ASP A 36 21.256 -4.223 16.322 1.00 0.00 C ATOM 563 OD1 ASP A 36 22.065 -3.364 16.017 1.00 0.00 O ATOM 564 OD2 ASP A 36 20.075 -4.186 16.022 1.00 0.00 O ATOM 0 H ASP A 36 23.254 -4.708 15.416 1.00 0.00 H new ATOM 0 HA ASP A 36 22.859 -7.266 16.734 1.00 0.00 H new ATOM 0 HB2 ASP A 36 20.933 -5.848 17.710 1.00 0.00 H new ATOM 0 HB3 ASP A 36 22.510 -5.097 17.851 1.00 0.00 H new ATOM 569 N GLN A 37 20.617 -6.458 14.470 1.00 0.00 N ATOM 570 CA GLN A 37 19.519 -7.075 13.669 1.00 0.00 C ATOM 571 C GLN A 37 20.075 -8.139 12.717 1.00 0.00 C ATOM 572 O GLN A 37 19.464 -9.164 12.491 1.00 0.00 O ATOM 573 CB GLN A 37 18.911 -5.915 12.878 1.00 0.00 C ATOM 574 CG GLN A 37 17.503 -5.621 13.400 1.00 0.00 C ATOM 575 CD GLN A 37 17.579 -5.217 14.874 1.00 0.00 C ATOM 576 OE1 GLN A 37 17.766 -4.058 15.190 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.438 -6.129 15.797 1.00 0.00 N ATOM 0 H GLN A 37 20.832 -5.488 14.238 1.00 0.00 H new ATOM 0 HA GLN A 37 18.784 -7.575 14.300 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.538 -5.028 12.973 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.872 -6.165 11.818 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.047 -4.822 12.816 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.870 -6.501 13.285 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.281 -7.102 15.533 1.00 0.00 H new ATOM 0 HE22 GLN A 37 17.485 -5.869 16.782 1.00 0.00 H new ATOM 586 N ALA A 38 21.224 -7.896 12.153 1.00 0.00 N ATOM 587 CA ALA A 38 21.820 -8.882 11.206 1.00 0.00 C ATOM 588 C ALA A 38 22.078 -10.224 11.902 1.00 0.00 C ATOM 589 O ALA A 38 21.806 -11.277 11.358 1.00 0.00 O ATOM 590 CB ALA A 38 23.139 -8.247 10.771 1.00 0.00 C ATOM 0 H ALA A 38 21.779 -7.054 12.307 1.00 0.00 H new ATOM 0 HA ALA A 38 21.159 -9.093 10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.647 -8.908 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.940 -7.290 10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.772 -8.089 11.644 1.00 0.00 H new ATOM 596 N GLN A 39 22.610 -10.195 13.091 1.00 0.00 N ATOM 597 CA GLN A 39 22.897 -11.470 13.811 1.00 0.00 C ATOM 598 C GLN A 39 21.611 -12.276 14.027 1.00 0.00 C ATOM 599 O GLN A 39 21.577 -13.473 13.824 1.00 0.00 O ATOM 600 CB GLN A 39 23.490 -11.039 15.152 1.00 0.00 C ATOM 601 CG GLN A 39 24.477 -12.102 15.639 1.00 0.00 C ATOM 602 CD GLN A 39 23.725 -13.179 16.420 1.00 0.00 C ATOM 603 OE1 GLN A 39 23.156 -12.908 17.459 1.00 0.00 O ATOM 604 NE2 GLN A 39 23.696 -14.400 15.962 1.00 0.00 N ATOM 0 H GLN A 39 22.859 -9.345 13.597 1.00 0.00 H new ATOM 0 HA GLN A 39 23.574 -12.112 13.247 1.00 0.00 H new ATOM 0 HB2 GLN A 39 23.996 -10.079 15.046 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.696 -10.902 15.886 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.995 -12.549 14.790 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.238 -11.644 16.271 1.00 0.00 H new ATOM 0 HE21 GLN A 39 24.173 -14.629 15.090 1.00 0.00 H new ATOM 0 HE22 GLN A 39 23.196 -15.126 16.476 1.00 0.00 H new ATOM 613 N TYR A 40 20.558 -11.631 14.448 1.00 0.00 N ATOM 614 CA TYR A 40 19.280 -12.364 14.687 1.00 0.00 C ATOM 615 C TYR A 40 18.756 -12.988 13.389 1.00 0.00 C ATOM 616 O TYR A 40 18.279 -14.105 13.377 1.00 0.00 O ATOM 617 CB TYR A 40 18.309 -11.299 15.196 1.00 0.00 C ATOM 618 CG TYR A 40 17.547 -11.838 16.382 1.00 0.00 C ATOM 619 CD1 TYR A 40 18.113 -11.781 17.661 1.00 0.00 C ATOM 620 CD2 TYR A 40 16.274 -12.394 16.205 1.00 0.00 C ATOM 621 CE1 TYR A 40 17.407 -12.281 18.762 1.00 0.00 C ATOM 622 CE2 TYR A 40 15.568 -12.893 17.306 1.00 0.00 C ATOM 623 CZ TYR A 40 16.134 -12.836 18.584 1.00 0.00 C ATOM 624 OH TYR A 40 15.439 -13.328 19.670 1.00 0.00 O ATOM 0 H TYR A 40 20.526 -10.629 14.637 1.00 0.00 H new ATOM 0 HA TYR A 40 19.407 -13.183 15.394 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.855 -10.399 15.480 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.616 -11.015 14.404 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.094 -11.351 17.799 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.837 -12.438 15.218 1.00 0.00 H new ATOM 0 HE1 TYR A 40 17.844 -12.239 19.749 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.586 -13.322 17.169 1.00 0.00 H new ATOM 0 HH TYR A 40 14.572 -13.677 19.373 1.00 0.00 H new ATOM 634 N CYS A 41 18.830 -12.275 12.300 1.00 0.00 N ATOM 635 CA CYS A 41 18.324 -12.829 11.010 1.00 0.00 C ATOM 636 C CYS A 41 19.119 -14.075 10.605 1.00 0.00 C ATOM 637 O CYS A 41 18.556 -15.107 10.298 1.00 0.00 O ATOM 638 CB CYS A 41 18.532 -11.708 9.993 1.00 0.00 C ATOM 639 SG CYS A 41 17.210 -10.484 10.169 1.00 0.00 S ATOM 0 H CYS A 41 19.218 -11.333 12.246 1.00 0.00 H new ATOM 0 HA CYS A 41 17.280 -13.136 11.079 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.502 -11.236 10.148 1.00 0.00 H new ATOM 0 HB3 CYS A 41 18.534 -12.115 8.982 1.00 0.00 H new ATOM 0 HG CYS A 41 17.555 -9.597 11.055 1.00 0.00 H new ATOM 645 N ILE A 42 20.420 -13.987 10.597 1.00 0.00 N ATOM 646 CA ILE A 42 21.244 -15.168 10.205 1.00 0.00 C ATOM 647 C ILE A 42 21.041 -16.311 11.207 1.00 0.00 C ATOM 648 O ILE A 42 21.350 -17.453 10.928 1.00 0.00 O ATOM 649 CB ILE A 42 22.691 -14.660 10.233 1.00 0.00 C ATOM 650 CG1 ILE A 42 23.009 -13.976 8.901 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.657 -15.830 10.440 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.442 -12.532 9.157 1.00 0.00 C ATOM 0 H ILE A 42 20.949 -13.151 10.844 1.00 0.00 H new ATOM 0 HA ILE A 42 20.973 -15.563 9.226 1.00 0.00 H new ATOM 0 HB ILE A 42 22.805 -13.953 11.055 1.00 0.00 H new ATOM 0 HG12 ILE A 42 23.800 -14.517 8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 42 22.133 -13.994 8.253 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.681 -15.457 10.458 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.434 -16.323 11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.545 -16.543 9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.668 -12.046 8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 42 22.637 -11.994 9.657 1.00 0.00 H new ATOM 0 HD13 ILE A 42 24.330 -12.525 9.789 1.00 0.00 H new ATOM 664 N LYS A 43 20.533 -16.013 12.369 1.00 0.00 N ATOM 665 CA LYS A 43 20.320 -17.084 13.385 1.00 0.00 C ATOM 666 C LYS A 43 18.997 -17.816 13.134 1.00 0.00 C ATOM 667 O LYS A 43 18.764 -18.888 13.657 1.00 0.00 O ATOM 668 CB LYS A 43 20.281 -16.352 14.726 1.00 0.00 C ATOM 669 CG LYS A 43 21.063 -17.153 15.769 1.00 0.00 C ATOM 670 CD LYS A 43 20.341 -17.082 17.114 1.00 0.00 C ATOM 671 CE LYS A 43 21.164 -17.815 18.176 1.00 0.00 C ATOM 672 NZ LYS A 43 20.420 -17.608 19.449 1.00 0.00 N ATOM 0 H LYS A 43 20.256 -15.076 12.661 1.00 0.00 H new ATOM 0 HA LYS A 43 21.104 -17.840 13.351 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.710 -15.356 14.621 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.249 -16.222 15.051 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.158 -18.191 15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 43 22.073 -16.756 15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 43 20.195 -16.042 17.406 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.351 -17.532 17.032 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.257 -18.875 17.941 1.00 0.00 H new ATOM 0 HE3 LYS A 43 22.175 -17.412 18.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.923 -18.082 20.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 20.353 -16.590 19.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.464 -18.007 19.361 1.00 0.00 H new ATOM 686 N ARG A 44 18.126 -17.247 12.344 1.00 0.00 N ATOM 687 CA ARG A 44 16.819 -17.919 12.076 1.00 0.00 C ATOM 688 C ARG A 44 16.714 -18.331 10.602 1.00 0.00 C ATOM 689 O ARG A 44 16.599 -19.499 10.292 1.00 0.00 O ATOM 690 CB ARG A 44 15.758 -16.875 12.424 1.00 0.00 C ATOM 691 CG ARG A 44 15.374 -17.010 13.900 1.00 0.00 C ATOM 692 CD ARG A 44 16.581 -16.670 14.777 1.00 0.00 C ATOM 693 NE ARG A 44 16.036 -16.559 16.159 1.00 0.00 N ATOM 694 CZ ARG A 44 15.780 -17.637 16.853 1.00 0.00 C ATOM 695 NH1 ARG A 44 15.986 -18.818 16.334 1.00 0.00 N ATOM 696 NH2 ARG A 44 15.314 -17.533 18.068 1.00 0.00 N ATOM 0 H ARG A 44 18.261 -16.351 11.875 1.00 0.00 H new ATOM 0 HA ARG A 44 16.700 -18.831 12.661 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.140 -15.873 12.227 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.879 -17.011 11.794 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.543 -16.344 14.133 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.036 -18.025 14.107 1.00 0.00 H new ATOM 0 HD2 ARG A 44 17.344 -17.446 14.715 1.00 0.00 H new ATOM 0 HD3 ARG A 44 17.048 -15.737 14.461 1.00 0.00 H new ATOM 0 HE ARG A 44 15.862 -15.640 16.565 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.348 -18.902 15.384 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.785 -19.657 16.879 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.150 -16.612 18.474 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.114 -18.373 18.611 1.00 0.00 H new ATOM 710 N MET A 45 16.742 -17.379 9.699 1.00 0.00 N ATOM 711 CA MET A 45 16.638 -17.704 8.241 1.00 0.00 C ATOM 712 C MET A 45 17.292 -19.054 7.924 1.00 0.00 C ATOM 713 O MET A 45 18.496 -19.196 7.994 1.00 0.00 O ATOM 714 CB MET A 45 17.389 -16.576 7.534 1.00 0.00 C ATOM 715 CG MET A 45 16.574 -16.104 6.329 1.00 0.00 C ATOM 716 SD MET A 45 16.875 -14.344 6.045 1.00 0.00 S ATOM 717 CE MET A 45 16.042 -13.731 7.529 1.00 0.00 C ATOM 0 H MET A 45 16.833 -16.385 9.911 1.00 0.00 H new ATOM 0 HA MET A 45 15.599 -17.782 7.921 1.00 0.00 H new ATOM 0 HB2 MET A 45 17.555 -15.747 8.222 1.00 0.00 H new ATOM 0 HB3 MET A 45 18.370 -16.924 7.210 1.00 0.00 H new ATOM 0 HG2 MET A 45 16.849 -16.678 5.444 1.00 0.00 H new ATOM 0 HG3 MET A 45 15.512 -16.278 6.505 1.00 0.00 H new ATOM 0 HE1 MET A 45 15.348 -12.937 7.255 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.493 -14.546 8.001 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.783 -13.340 8.227 1.00 0.00 H new ATOM 727 N PRO A 46 16.463 -20.003 7.581 1.00 0.00 N ATOM 728 CA PRO A 46 16.999 -21.351 7.252 1.00 0.00 C ATOM 729 C PRO A 46 17.545 -21.368 5.822 1.00 0.00 C ATOM 730 O PRO A 46 17.469 -20.390 5.106 1.00 0.00 O ATOM 731 CB PRO A 46 15.797 -22.288 7.383 1.00 0.00 C ATOM 732 CG PRO A 46 14.595 -21.401 7.397 1.00 0.00 C ATOM 733 CD PRO A 46 15.038 -20.065 7.921 1.00 0.00 C ATOM 0 HA PRO A 46 17.821 -21.645 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 46 15.756 -22.991 6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.859 -22.879 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.177 -21.302 6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.813 -21.822 8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.482 -19.250 7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.881 -19.987 8.997 1.00 0.00 H new ATOM 859 N ALA A 57 21.798 -19.060 0.257 1.00 0.00 N ATOM 860 CA ALA A 57 20.475 -18.388 0.114 1.00 0.00 C ATOM 861 C ALA A 57 19.565 -18.761 1.289 1.00 0.00 C ATOM 862 O ALA A 57 19.035 -19.852 1.354 1.00 0.00 O ATOM 863 CB ALA A 57 19.898 -18.916 -1.199 1.00 0.00 C ATOM 0 HA ALA A 57 20.563 -17.302 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 57 18.921 -18.466 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.568 -18.660 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 57 19.793 -19.999 -1.141 1.00 0.00 H new ATOM 869 N LEU A 58 19.382 -17.862 2.216 1.00 0.00 N ATOM 870 CA LEU A 58 18.508 -18.165 3.386 1.00 0.00 C ATOM 871 C LEU A 58 17.081 -17.679 3.119 1.00 0.00 C ATOM 872 O LEU A 58 16.852 -16.824 2.287 1.00 0.00 O ATOM 873 CB LEU A 58 19.127 -17.390 4.550 1.00 0.00 C ATOM 874 CG LEU A 58 20.606 -17.755 4.678 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.258 -16.873 5.744 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.734 -19.225 5.086 1.00 0.00 C ATOM 0 H LEU A 58 19.799 -16.931 2.215 1.00 0.00 H new ATOM 0 HA LEU A 58 18.447 -19.234 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.019 -16.318 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.602 -17.624 5.476 1.00 0.00 H new ATOM 0 HG LEU A 58 21.104 -17.598 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.313 -17.133 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.166 -15.826 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.761 -17.031 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.788 -19.487 5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.237 -19.382 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.268 -19.855 4.328 1.00 0.00 H new ATOM 888 N ASP A 59 16.117 -18.214 3.820 1.00 0.00 N ATOM 889 CA ASP A 59 14.710 -17.775 3.599 1.00 0.00 C ATOM 890 C ASP A 59 14.161 -17.089 4.854 1.00 0.00 C ATOM 891 O ASP A 59 13.926 -17.717 5.866 1.00 0.00 O ATOM 892 CB ASP A 59 13.936 -19.062 3.314 1.00 0.00 C ATOM 893 CG ASP A 59 13.766 -19.234 1.803 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.662 -18.839 1.077 1.00 0.00 O ATOM 895 OD2 ASP A 59 12.741 -19.760 1.398 1.00 0.00 O ATOM 0 H ASP A 59 16.243 -18.933 4.533 1.00 0.00 H new ATOM 0 HA ASP A 59 14.627 -17.056 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.467 -19.918 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.960 -19.026 3.798 1.00 0.00 H new ATOM 900 N TYR A 60 13.950 -15.802 4.788 1.00 0.00 N ATOM 901 CA TYR A 60 13.412 -15.062 5.965 1.00 0.00 C ATOM 902 C TYR A 60 11.931 -15.393 6.168 1.00 0.00 C ATOM 903 O TYR A 60 11.409 -15.299 7.260 1.00 0.00 O ATOM 904 CB TYR A 60 13.573 -13.585 5.600 1.00 0.00 C ATOM 905 CG TYR A 60 12.967 -13.335 4.238 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.576 -13.281 4.091 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.797 -13.161 3.124 1.00 0.00 C ATOM 908 CE1 TYR A 60 11.015 -13.054 2.828 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.235 -12.935 1.861 1.00 0.00 C ATOM 910 CZ TYR A 60 11.845 -12.881 1.714 1.00 0.00 C ATOM 911 OH TYR A 60 11.292 -12.659 0.469 1.00 0.00 O ATOM 0 H TYR A 60 14.129 -15.228 3.964 1.00 0.00 H new ATOM 0 HA TYR A 60 13.929 -15.323 6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.085 -12.959 6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.629 -13.313 5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.936 -13.414 4.951 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.870 -13.201 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.942 -13.012 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.875 -12.802 1.001 1.00 0.00 H new ATOM 0 HH TYR A 60 12.007 -12.559 -0.194 1.00 0.00 H new ATOM 921 N ALA A 61 11.250 -15.774 5.122 1.00 0.00 N ATOM 922 CA ALA A 61 9.803 -16.102 5.262 1.00 0.00 C ATOM 923 C ALA A 61 9.613 -17.176 6.331 1.00 0.00 C ATOM 924 O ALA A 61 8.658 -17.154 7.082 1.00 0.00 O ATOM 925 CB ALA A 61 9.379 -16.628 3.890 1.00 0.00 C ATOM 0 H ALA A 61 11.631 -15.872 4.181 1.00 0.00 H new ATOM 0 HA ALA A 61 9.209 -15.240 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.322 -16.892 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.545 -15.857 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.968 -17.511 3.641 1.00 0.00 H new ATOM 931 N ALA A 62 10.517 -18.109 6.413 1.00 0.00 N ATOM 932 CA ALA A 62 10.386 -19.173 7.447 1.00 0.00 C ATOM 933 C ALA A 62 10.567 -18.563 8.833 1.00 0.00 C ATOM 934 O ALA A 62 9.839 -18.856 9.760 1.00 0.00 O ATOM 935 CB ALA A 62 11.507 -20.168 7.141 1.00 0.00 C ATOM 0 H ALA A 62 11.338 -18.182 5.812 1.00 0.00 H new ATOM 0 HA ALA A 62 9.409 -19.656 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.476 -20.984 7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.374 -20.568 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.470 -19.662 7.206 1.00 0.00 H new ATOM 941 N PHE A 63 11.534 -17.709 8.968 1.00 0.00 N ATOM 942 CA PHE A 63 11.787 -17.052 10.282 1.00 0.00 C ATOM 943 C PHE A 63 10.690 -16.024 10.583 1.00 0.00 C ATOM 944 O PHE A 63 10.301 -15.834 11.718 1.00 0.00 O ATOM 945 CB PHE A 63 13.140 -16.361 10.116 1.00 0.00 C ATOM 946 CG PHE A 63 13.344 -15.367 11.234 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.745 -15.582 12.480 1.00 0.00 C ATOM 948 CD2 PHE A 63 14.133 -14.230 11.023 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.936 -14.659 13.517 1.00 0.00 C ATOM 950 CE2 PHE A 63 14.324 -13.308 12.058 1.00 0.00 C ATOM 951 CZ PHE A 63 13.726 -13.523 13.306 1.00 0.00 C ATOM 0 H PHE A 63 12.169 -17.432 8.219 1.00 0.00 H new ATOM 0 HA PHE A 63 11.787 -17.762 11.109 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.940 -17.101 10.124 1.00 0.00 H new ATOM 0 HB3 PHE A 63 13.184 -15.853 9.152 1.00 0.00 H new ATOM 0 HD1 PHE A 63 12.136 -16.459 12.643 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.595 -14.064 10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.474 -14.824 14.479 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.932 -12.431 11.895 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.874 -12.812 14.106 1.00 0.00 H new ATOM 961 N SER A 64 10.197 -15.356 9.577 1.00 0.00 N ATOM 962 CA SER A 64 9.133 -14.335 9.806 1.00 0.00 C ATOM 963 C SER A 64 7.899 -14.978 10.446 1.00 0.00 C ATOM 964 O SER A 64 7.379 -14.497 11.433 1.00 0.00 O ATOM 965 CB SER A 64 8.798 -13.797 8.416 1.00 0.00 C ATOM 966 OG SER A 64 9.880 -13.004 7.945 1.00 0.00 O ATOM 0 H SER A 64 10.484 -15.472 8.605 1.00 0.00 H new ATOM 0 HA SER A 64 9.460 -13.546 10.483 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.611 -14.623 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.886 -13.202 8.454 1.00 0.00 H new ATOM 0 HG SER A 64 10.600 -13.588 7.627 1.00 0.00 H new ATOM 972 N SER A 65 7.423 -16.059 9.890 1.00 0.00 N ATOM 973 CA SER A 65 6.219 -16.726 10.468 1.00 0.00 C ATOM 974 C SER A 65 6.474 -17.113 11.928 1.00 0.00 C ATOM 975 O SER A 65 5.617 -16.966 12.778 1.00 0.00 O ATOM 976 CB SER A 65 6.010 -17.974 9.611 1.00 0.00 C ATOM 977 OG SER A 65 4.618 -18.195 9.434 1.00 0.00 O ATOM 0 H SER A 65 7.814 -16.509 9.062 1.00 0.00 H new ATOM 0 HA SER A 65 5.345 -16.075 10.463 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.496 -17.850 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.469 -18.839 10.090 1.00 0.00 H new ATOM 0 HG SER A 65 4.481 -18.994 8.883 1.00 0.00 H new ATOM 983 N ALA A 66 7.643 -17.610 12.225 1.00 0.00 N ATOM 984 CA ALA A 66 7.949 -18.010 13.629 1.00 0.00 C ATOM 985 C ALA A 66 7.747 -16.824 14.578 1.00 0.00 C ATOM 986 O ALA A 66 7.246 -16.973 15.675 1.00 0.00 O ATOM 987 CB ALA A 66 9.417 -18.435 13.609 1.00 0.00 C ATOM 0 H ALA A 66 8.400 -17.757 11.557 1.00 0.00 H new ATOM 0 HA ALA A 66 7.297 -18.810 13.980 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.720 -18.745 14.609 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.545 -19.267 12.917 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.034 -17.596 13.286 1.00 0.00 H new ATOM 993 N LEU A 67 8.132 -15.647 14.166 1.00 0.00 N ATOM 994 CA LEU A 67 7.961 -14.456 15.044 1.00 0.00 C ATOM 995 C LEU A 67 6.487 -14.283 15.421 1.00 0.00 C ATOM 996 O LEU A 67 6.155 -13.965 16.546 1.00 0.00 O ATOM 997 CB LEU A 67 8.439 -13.275 14.200 1.00 0.00 C ATOM 998 CG LEU A 67 9.966 -13.216 14.219 1.00 0.00 C ATOM 999 CD1 LEU A 67 10.461 -12.463 12.983 1.00 0.00 C ATOM 1000 CD2 LEU A 67 10.433 -12.487 15.480 1.00 0.00 C ATOM 0 H LEU A 67 8.558 -15.459 13.258 1.00 0.00 H new ATOM 0 HA LEU A 67 8.518 -14.546 15.977 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.082 -13.379 13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.024 -12.345 14.589 1.00 0.00 H new ATOM 0 HG LEU A 67 10.369 -14.229 14.215 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.550 -12.420 12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.128 -12.981 12.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.058 -11.450 12.988 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.522 -12.445 15.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.031 -11.474 15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.080 -13.022 16.361 1.00 0.00 H new ATOM 1012 N TYR A 68 5.600 -14.485 14.484 1.00 0.00 N ATOM 1013 CA TYR A 68 4.148 -14.328 14.781 1.00 0.00 C ATOM 1014 C TYR A 68 3.594 -15.618 15.392 1.00 0.00 C ATOM 1015 O TYR A 68 2.400 -15.783 15.543 1.00 0.00 O ATOM 1016 CB TYR A 68 3.485 -14.049 13.425 1.00 0.00 C ATOM 1017 CG TYR A 68 4.406 -13.221 12.558 1.00 0.00 C ATOM 1018 CD1 TYR A 68 4.934 -12.018 13.045 1.00 0.00 C ATOM 1019 CD2 TYR A 68 4.738 -13.661 11.272 1.00 0.00 C ATOM 1020 CE1 TYR A 68 5.793 -11.256 12.245 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.597 -12.898 10.471 1.00 0.00 C ATOM 1022 CZ TYR A 68 6.125 -11.697 10.958 1.00 0.00 C ATOM 1023 OH TYR A 68 6.973 -10.946 10.169 1.00 0.00 O ATOM 0 H TYR A 68 5.819 -14.752 13.524 1.00 0.00 H new ATOM 0 HA TYR A 68 3.959 -13.527 15.496 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.250 -14.989 12.926 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.542 -13.523 13.574 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.678 -11.679 14.038 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.332 -14.589 10.897 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.200 -10.328 12.620 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.852 -13.236 9.478 1.00 0.00 H new ATOM 0 HH TYR A 68 7.889 -11.022 10.509 1.00 0.00 H new ATOM 1105 N LYS B 8 12.334 1.892 -2.123 1.00 0.00 N ATOM 1106 CA LYS B 8 11.858 1.893 -0.710 1.00 0.00 C ATOM 1107 C LYS B 8 12.627 0.850 0.106 1.00 0.00 C ATOM 1108 O LYS B 8 12.078 0.200 0.975 1.00 0.00 O ATOM 1109 CB LYS B 8 10.374 1.528 -0.789 1.00 0.00 C ATOM 1110 CG LYS B 8 10.218 0.150 -1.433 1.00 0.00 C ATOM 1111 CD LYS B 8 9.117 0.204 -2.493 1.00 0.00 C ATOM 1112 CE LYS B 8 7.770 0.472 -1.819 1.00 0.00 C ATOM 1113 NZ LYS B 8 7.008 1.296 -2.798 1.00 0.00 N ATOM 0 HA LYS B 8 12.013 2.855 -0.222 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.936 1.526 0.209 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.836 2.276 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.159 -0.160 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.971 -0.592 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.335 0.988 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.080 -0.737 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS B 8 7.248 -0.459 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS B 8 7.899 1.000 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.071 1.521 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 7.526 2.178 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.895 0.765 -3.685 1.00 0.00 H new ATOM 1127 N LYS B 9 13.894 0.687 -0.163 1.00 0.00 N ATOM 1128 CA LYS B 9 14.696 -0.312 0.601 1.00 0.00 C ATOM 1129 C LYS B 9 14.803 0.113 2.068 1.00 0.00 C ATOM 1130 O LYS B 9 14.622 -0.682 2.968 1.00 0.00 O ATOM 1131 CB LYS B 9 16.073 -0.306 -0.063 1.00 0.00 C ATOM 1132 CG LYS B 9 16.553 -1.747 -0.256 1.00 0.00 C ATOM 1133 CD LYS B 9 18.083 -1.777 -0.269 1.00 0.00 C ATOM 1134 CE LYS B 9 18.568 -2.508 -1.522 1.00 0.00 C ATOM 1135 NZ LYS B 9 19.383 -1.503 -2.261 1.00 0.00 N ATOM 0 H LYS B 9 14.408 1.202 -0.878 1.00 0.00 H new ATOM 0 HA LYS B 9 14.244 -1.304 0.589 1.00 0.00 H new ATOM 0 HB2 LYS B 9 16.022 0.204 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.783 0.246 0.553 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.173 -2.379 0.547 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.163 -2.150 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.477 -0.761 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.455 -2.278 0.624 1.00 0.00 H new ATOM 0 HE2 LYS B 9 19.162 -3.385 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS B 9 17.730 -2.857 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 19.752 -1.930 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 18.790 -0.683 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 20.177 -1.194 -1.665 1.00 0.00 H new ATOM 1149 N ALA B 10 15.093 1.362 2.314 1.00 0.00 N ATOM 1150 CA ALA B 10 15.206 1.834 3.724 1.00 0.00 C ATOM 1151 C ALA B 10 13.904 1.550 4.477 1.00 0.00 C ATOM 1152 O ALA B 10 13.913 1.141 5.621 1.00 0.00 O ATOM 1153 CB ALA B 10 15.449 3.340 3.620 1.00 0.00 C ATOM 0 H ALA B 10 15.256 2.074 1.602 1.00 0.00 H new ATOM 0 HA ALA B 10 16.006 1.331 4.268 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.544 3.763 4.620 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.366 3.523 3.060 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.611 3.809 3.105 1.00 0.00 H new ATOM 1159 N GLU B 11 12.784 1.763 3.841 1.00 0.00 N ATOM 1160 CA GLU B 11 11.480 1.503 4.517 1.00 0.00 C ATOM 1161 C GLU B 11 11.365 0.020 4.882 1.00 0.00 C ATOM 1162 O GLU B 11 10.899 -0.333 5.947 1.00 0.00 O ATOM 1163 CB GLU B 11 10.417 1.888 3.487 1.00 0.00 C ATOM 1164 CG GLU B 11 10.088 3.376 3.626 1.00 0.00 C ATOM 1165 CD GLU B 11 10.035 4.019 2.239 1.00 0.00 C ATOM 1166 OE1 GLU B 11 9.729 3.314 1.292 1.00 0.00 O ATOM 1167 OE2 GLU B 11 10.301 5.206 2.147 1.00 0.00 O ATOM 0 H GLU B 11 12.715 2.106 2.883 1.00 0.00 H new ATOM 0 HA GLU B 11 11.372 2.068 5.443 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.777 1.677 2.480 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.518 1.290 3.636 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.132 3.502 4.134 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.842 3.870 4.239 1.00 0.00 H new ATOM 1174 N ALA B 12 11.790 -0.847 4.005 1.00 0.00 N ATOM 1175 CA ALA B 12 11.709 -2.307 4.300 1.00 0.00 C ATOM 1176 C ALA B 12 12.629 -2.656 5.472 1.00 0.00 C ATOM 1177 O ALA B 12 12.267 -3.404 6.358 1.00 0.00 O ATOM 1178 CB ALA B 12 12.185 -2.996 3.021 1.00 0.00 C ATOM 0 H ALA B 12 12.190 -0.609 3.097 1.00 0.00 H new ATOM 0 HA ALA B 12 10.703 -2.619 4.579 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.155 -4.077 3.157 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.534 -2.716 2.193 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.206 -2.687 2.800 1.00 0.00 H new ATOM 1184 N VAL B 13 13.819 -2.117 5.485 1.00 0.00 N ATOM 1185 CA VAL B 13 14.761 -2.418 6.600 1.00 0.00 C ATOM 1186 C VAL B 13 14.137 -2.010 7.938 1.00 0.00 C ATOM 1187 O VAL B 13 14.200 -2.736 8.910 1.00 0.00 O ATOM 1188 CB VAL B 13 16.003 -1.576 6.308 1.00 0.00 C ATOM 1189 CG1 VAL B 13 17.000 -1.718 7.458 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.652 -2.062 5.010 1.00 0.00 C ATOM 0 H VAL B 13 14.178 -1.482 4.772 1.00 0.00 H new ATOM 0 HA VAL B 13 14.997 -3.480 6.668 1.00 0.00 H new ATOM 0 HB VAL B 13 15.716 -0.530 6.204 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.885 -1.117 7.249 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.539 -1.374 8.384 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.288 -2.764 7.563 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.538 -1.463 4.800 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.938 -3.108 5.116 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.943 -1.961 4.189 1.00 0.00 H new ATOM 1200 N ALA B 14 13.534 -0.854 7.993 1.00 0.00 N ATOM 1201 CA ALA B 14 12.905 -0.401 9.267 1.00 0.00 C ATOM 1202 C ALA B 14 11.801 -1.373 9.685 1.00 0.00 C ATOM 1203 O ALA B 14 11.641 -1.682 10.850 1.00 0.00 O ATOM 1204 CB ALA B 14 12.318 0.975 8.950 1.00 0.00 C ATOM 0 H ALA B 14 13.449 -0.204 7.212 1.00 0.00 H new ATOM 0 HA ALA B 14 13.619 -0.360 10.090 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.835 1.378 9.840 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.116 1.647 8.634 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.584 0.882 8.150 1.00 0.00 H new ATOM 1210 N THR B 15 11.038 -1.860 8.745 1.00 0.00 N ATOM 1211 CA THR B 15 9.946 -2.813 9.092 1.00 0.00 C ATOM 1212 C THR B 15 10.536 -4.107 9.658 1.00 0.00 C ATOM 1213 O THR B 15 10.066 -4.636 10.646 1.00 0.00 O ATOM 1214 CB THR B 15 9.223 -3.086 7.772 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.511 -1.921 7.375 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.246 -4.248 7.953 1.00 0.00 C ATOM 0 H THR B 15 11.123 -1.639 7.753 1.00 0.00 H new ATOM 0 HA THR B 15 9.273 -2.412 9.849 1.00 0.00 H new ATOM 0 HB THR B 15 9.952 -3.346 7.005 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.122 -1.302 6.923 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.732 -4.441 7.011 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.794 -5.140 8.257 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.515 -3.993 8.720 1.00 0.00 H new ATOM 1224 N VAL B 16 11.564 -4.620 9.040 1.00 0.00 N ATOM 1225 CA VAL B 16 12.185 -5.877 9.543 1.00 0.00 C ATOM 1226 C VAL B 16 12.803 -5.642 10.924 1.00 0.00 C ATOM 1227 O VAL B 16 12.679 -6.456 11.818 1.00 0.00 O ATOM 1228 CB VAL B 16 13.269 -6.219 8.522 1.00 0.00 C ATOM 1229 CG1 VAL B 16 13.953 -7.528 8.918 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.632 -6.376 7.139 1.00 0.00 C ATOM 0 H VAL B 16 12.001 -4.223 8.208 1.00 0.00 H new ATOM 0 HA VAL B 16 11.459 -6.683 9.651 1.00 0.00 H new ATOM 0 HB VAL B 16 14.008 -5.418 8.496 1.00 0.00 H new ATOM 0 HG11 VAL B 16 14.726 -7.770 8.188 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.406 -7.418 9.903 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.216 -8.330 8.945 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.403 -6.620 6.409 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.893 -7.177 7.168 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.145 -5.443 6.855 1.00 0.00 H new ATOM 1240 N VAL B 17 13.466 -4.533 11.105 1.00 0.00 N ATOM 1241 CA VAL B 17 14.093 -4.242 12.426 1.00 0.00 C ATOM 1242 C VAL B 17 13.023 -4.183 13.519 1.00 0.00 C ATOM 1243 O VAL B 17 13.185 -4.731 14.591 1.00 0.00 O ATOM 1244 CB VAL B 17 14.760 -2.877 12.254 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.313 -2.406 13.600 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.905 -2.993 11.246 1.00 0.00 C ATOM 0 H VAL B 17 13.601 -3.814 10.394 1.00 0.00 H new ATOM 0 HA VAL B 17 14.806 -5.011 12.723 1.00 0.00 H new ATOM 0 HB VAL B 17 14.026 -2.158 11.891 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.789 -1.433 13.478 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.498 -2.324 14.319 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.047 -3.125 13.964 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.381 -2.020 11.123 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.638 -3.713 11.610 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.512 -3.329 10.286 1.00 0.00 H new ATOM 1256 N ALA B 18 11.929 -3.519 13.257 1.00 0.00 N ATOM 1257 CA ALA B 18 10.851 -3.425 14.283 1.00 0.00 C ATOM 1258 C ALA B 18 10.314 -4.820 14.615 1.00 0.00 C ATOM 1259 O ALA B 18 10.143 -5.172 15.765 1.00 0.00 O ATOM 1260 CB ALA B 18 9.762 -2.570 13.635 1.00 0.00 C ATOM 0 H ALA B 18 11.736 -3.038 12.378 1.00 0.00 H new ATOM 0 HA ALA B 18 11.206 -2.992 15.218 1.00 0.00 H new ATOM 0 HB1 ALA B 18 8.930 -2.453 14.329 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.168 -1.589 13.388 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.410 -3.057 12.725 1.00 0.00 H new ATOM 1266 N ALA B 19 10.044 -5.615 13.616 1.00 0.00 N ATOM 1267 CA ALA B 19 9.516 -6.985 13.877 1.00 0.00 C ATOM 1268 C ALA B 19 10.572 -7.832 14.595 1.00 0.00 C ATOM 1269 O ALA B 19 10.271 -8.565 15.515 1.00 0.00 O ATOM 1270 CB ALA B 19 9.214 -7.566 12.495 1.00 0.00 C ATOM 0 H ALA B 19 10.166 -5.376 12.632 1.00 0.00 H new ATOM 0 HA ALA B 19 8.632 -6.970 14.515 1.00 0.00 H new ATOM 0 HB1 ALA B 19 8.820 -8.577 12.603 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.477 -6.941 11.991 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.130 -7.595 11.904 1.00 0.00 H new ATOM 1276 N VAL B 20 11.806 -7.735 14.181 1.00 0.00 N ATOM 1277 CA VAL B 20 12.876 -8.537 14.841 1.00 0.00 C ATOM 1278 C VAL B 20 13.069 -8.074 16.288 1.00 0.00 C ATOM 1279 O VAL B 20 13.155 -8.873 17.199 1.00 0.00 O ATOM 1280 CB VAL B 20 14.136 -8.269 14.018 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.349 -8.861 14.737 1.00 0.00 C ATOM 1282 CG2 VAL B 20 13.994 -8.922 12.642 1.00 0.00 C ATOM 0 H VAL B 20 12.119 -7.137 13.416 1.00 0.00 H new ATOM 0 HA VAL B 20 12.633 -9.599 14.879 1.00 0.00 H new ATOM 0 HB VAL B 20 14.271 -7.194 13.900 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.248 -8.670 14.151 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.451 -8.399 15.719 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.213 -9.936 14.854 1.00 0.00 H new ATOM 0 HG21 VAL B 20 14.892 -8.731 12.054 1.00 0.00 H new ATOM 0 HG22 VAL B 20 13.860 -9.997 12.762 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.129 -8.503 12.128 1.00 0.00 H new ATOM 1292 N ASP B 21 13.138 -6.789 16.506 1.00 0.00 N ATOM 1293 CA ASP B 21 13.325 -6.275 17.894 1.00 0.00 C ATOM 1294 C ASP B 21 12.128 -6.661 18.767 1.00 0.00 C ATOM 1295 O ASP B 21 12.261 -6.892 19.952 1.00 0.00 O ATOM 1296 CB ASP B 21 13.414 -4.755 17.745 1.00 0.00 C ATOM 1297 CG ASP B 21 14.424 -4.201 18.750 1.00 0.00 C ATOM 1298 OD1 ASP B 21 14.335 -4.564 19.912 1.00 0.00 O ATOM 1299 OD2 ASP B 21 15.271 -3.423 18.342 1.00 0.00 O ATOM 0 H ASP B 21 13.073 -6.072 15.783 1.00 0.00 H new ATOM 0 HA ASP B 21 14.212 -6.690 18.372 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.716 -4.496 16.730 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.435 -4.305 17.912 1.00 0.00 H new ATOM 1304 N GLN B 22 10.959 -6.731 18.190 1.00 0.00 N ATOM 1305 CA GLN B 22 9.756 -7.103 18.989 1.00 0.00 C ATOM 1306 C GLN B 22 9.971 -8.460 19.663 1.00 0.00 C ATOM 1307 O GLN B 22 9.619 -8.659 20.808 1.00 0.00 O ATOM 1308 CB GLN B 22 8.613 -7.181 17.977 1.00 0.00 C ATOM 1309 CG GLN B 22 7.374 -6.490 18.550 1.00 0.00 C ATOM 1310 CD GLN B 22 7.704 -5.032 18.874 1.00 0.00 C ATOM 1311 OE1 GLN B 22 8.133 -4.288 18.014 1.00 0.00 O ATOM 1312 NE2 GLN B 22 7.519 -4.587 20.087 1.00 0.00 N ATOM 0 H GLN B 22 10.785 -6.547 17.202 1.00 0.00 H new ATOM 0 HA GLN B 22 9.548 -6.383 19.781 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.908 -6.705 17.042 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.388 -8.222 17.747 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.554 -6.537 17.833 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.040 -7.007 19.450 1.00 0.00 H new ATOM 0 HE21 GLN B 22 7.159 -5.210 20.810 1.00 0.00 H new ATOM 0 HE22 GLN B 22 7.734 -3.616 20.312 1.00 0.00 H new ATOM 1321 N ALA B 23 10.548 -9.397 18.960 1.00 0.00 N ATOM 1322 CA ALA B 23 10.786 -10.741 19.562 1.00 0.00 C ATOM 1323 C ALA B 23 11.696 -10.612 20.787 1.00 0.00 C ATOM 1324 O ALA B 23 11.508 -11.279 21.785 1.00 0.00 O ATOM 1325 CB ALA B 23 11.474 -11.551 18.464 1.00 0.00 C ATOM 0 H ALA B 23 10.865 -9.290 17.996 1.00 0.00 H new ATOM 0 HA ALA B 23 9.864 -11.215 19.898 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.683 -12.556 18.830 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.822 -11.611 17.593 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.409 -11.065 18.185 1.00 0.00 H new ATOM 1331 N ARG B 24 12.680 -9.759 20.716 1.00 0.00 N ATOM 1332 CA ARG B 24 13.603 -9.584 21.874 1.00 0.00 C ATOM 1333 C ARG B 24 12.834 -9.060 23.091 1.00 0.00 C ATOM 1334 O ARG B 24 13.147 -9.378 24.220 1.00 0.00 O ATOM 1335 CB ARG B 24 14.630 -8.554 21.401 1.00 0.00 C ATOM 1336 CG ARG B 24 16.036 -9.019 21.781 1.00 0.00 C ATOM 1337 CD ARG B 24 17.053 -7.949 21.380 1.00 0.00 C ATOM 1338 NE ARG B 24 18.083 -7.977 22.456 1.00 0.00 N ATOM 1339 CZ ARG B 24 17.780 -7.578 23.663 1.00 0.00 C ATOM 1340 NH1 ARG B 24 16.576 -7.148 23.930 1.00 0.00 N ATOM 1341 NH2 ARG B 24 18.684 -7.607 24.605 1.00 0.00 N ATOM 0 H ARG B 24 12.886 -9.175 19.906 1.00 0.00 H new ATOM 0 HA ARG B 24 14.072 -10.520 22.178 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.559 -8.424 20.321 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.422 -7.584 21.853 1.00 0.00 H new ATOM 0 HG2 ARG B 24 16.092 -9.205 22.854 1.00 0.00 H new ATOM 0 HG3 ARG B 24 16.267 -9.960 21.282 1.00 0.00 H new ATOM 0 HD2 ARG B 24 17.493 -8.167 20.407 1.00 0.00 H new ATOM 0 HD3 ARG B 24 16.585 -6.967 21.306 1.00 0.00 H new ATOM 0 HE ARG B 24 19.026 -8.308 22.250 1.00 0.00 H new ATOM 0 HH11 ARG B 24 15.869 -7.123 23.195 1.00 0.00 H new ATOM 0 HH12 ARG B 24 16.343 -6.837 24.873 1.00 0.00 H new ATOM 0 HH21 ARG B 24 19.625 -7.941 24.398 1.00 0.00 H new ATOM 0 HH22 ARG B 24 18.449 -7.296 25.547 1.00 0.00 H new