USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 165:sc= 0.935 USER MOD Set 1.2: A 65 SER OG : rot 50:sc= 1.44 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -70:sc= -0.0115 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 63 SER OG : rot -120:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.0996 X(o=0.1,f=-0.38) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -40:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 3.556 0.442 6.365 1.00 0.00 N ATOM 71 CA LEU A 3 3.668 -0.825 7.129 1.00 0.00 C ATOM 72 C LEU A 3 3.842 -2.058 6.197 1.00 0.00 C ATOM 73 O LEU A 3 3.743 -1.937 4.974 1.00 0.00 O ATOM 74 CB LEU A 3 2.487 -1.024 8.127 1.00 0.00 C ATOM 75 CG LEU A 3 1.913 0.241 8.821 1.00 0.00 C ATOM 76 CD1 LEU A 3 0.662 0.747 8.080 1.00 0.00 C ATOM 77 CD2 LEU A 3 1.545 0.056 10.292 1.00 0.00 C ATOM 0 HA LEU A 3 4.576 -0.741 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.673 -1.512 7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.816 -1.714 8.904 1.00 0.00 H new ATOM 0 HG LEU A 3 2.728 0.964 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.275 1.634 8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.924 0.998 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.101 -0.032 8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.154 0.992 10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.787 -0.722 10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.432 -0.235 10.855 1.00 0.00 H new ATOM 89 N ARG A 4 4.131 -3.247 6.762 1.00 0.00 N ATOM 90 CA ARG A 4 4.381 -4.515 6.025 1.00 0.00 C ATOM 91 C ARG A 4 3.138 -5.419 6.012 1.00 0.00 C ATOM 92 O ARG A 4 2.311 -5.318 6.917 1.00 0.00 O ATOM 93 CB ARG A 4 5.527 -5.307 6.680 1.00 0.00 C ATOM 94 CG ARG A 4 6.886 -4.581 6.752 1.00 0.00 C ATOM 95 CD ARG A 4 7.710 -5.052 7.960 1.00 0.00 C ATOM 96 NE ARG A 4 7.022 -4.725 9.225 1.00 0.00 N ATOM 97 CZ ARG A 4 7.487 -4.775 10.465 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.724 -5.123 10.735 1.00 0.00 N ATOM 99 NH2 ARG A 4 6.691 -4.474 11.463 1.00 0.00 N ATOM 0 H ARG A 4 4.200 -3.362 7.773 1.00 0.00 H new ATOM 0 HA ARG A 4 4.641 -4.235 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.226 -5.576 7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.662 -6.238 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.446 -4.762 5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.723 -3.505 6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.873 -6.128 7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.692 -4.579 7.942 1.00 0.00 H new ATOM 0 HE ARG A 4 6.054 -4.418 9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.362 -5.366 9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.047 -5.150 11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.724 -4.205 11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.039 -4.509 12.421 1.00 0.00 H new ATOM 113 N ILE A 5 3.078 -6.400 5.092 1.00 0.00 N ATOM 114 CA ILE A 5 1.958 -7.359 4.980 1.00 0.00 C ATOM 115 C ILE A 5 1.635 -8.050 6.299 1.00 0.00 C ATOM 116 O ILE A 5 0.465 -8.246 6.602 1.00 0.00 O ATOM 117 CB ILE A 5 2.174 -8.410 3.857 1.00 0.00 C ATOM 118 CG1 ILE A 5 0.948 -8.491 2.923 1.00 0.00 C ATOM 119 CG2 ILE A 5 2.612 -9.823 4.296 1.00 0.00 C ATOM 120 CD1 ILE A 5 -0.354 -8.946 3.577 1.00 0.00 C ATOM 0 H ILE A 5 3.811 -6.552 4.399 1.00 0.00 H new ATOM 0 HA ILE A 5 1.095 -6.752 4.705 1.00 0.00 H new ATOM 0 HB ILE A 5 3.040 -8.021 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.786 -7.508 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.181 -9.174 2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.727 -10.458 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.562 -9.761 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.856 -10.250 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.148 -8.967 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.222 -9.944 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.623 -8.252 4.374 1.00 0.00 H new ATOM 132 N ARG A 6 2.660 -8.369 7.101 1.00 0.00 N ATOM 133 CA ARG A 6 2.503 -8.973 8.425 1.00 0.00 C ATOM 134 C ARG A 6 1.538 -8.153 9.285 1.00 0.00 C ATOM 135 O ARG A 6 0.610 -8.718 9.850 1.00 0.00 O ATOM 136 CB ARG A 6 3.881 -9.180 9.086 1.00 0.00 C ATOM 137 CG ARG A 6 4.746 -10.213 8.325 1.00 0.00 C ATOM 138 CD ARG A 6 5.955 -9.611 7.583 1.00 0.00 C ATOM 139 NE ARG A 6 7.197 -9.663 8.385 1.00 0.00 N ATOM 140 CZ ARG A 6 8.001 -10.712 8.543 1.00 0.00 C ATOM 141 NH1 ARG A 6 7.733 -11.882 8.011 1.00 0.00 N ATOM 142 NH2 ARG A 6 9.103 -10.607 9.251 1.00 0.00 N ATOM 0 H ARG A 6 3.634 -8.211 6.842 1.00 0.00 H new ATOM 0 HA ARG A 6 2.054 -9.961 8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.409 -8.227 9.128 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.742 -9.513 10.115 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.105 -10.959 9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.116 -10.735 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.108 -10.150 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.738 -8.575 7.323 1.00 0.00 H new ATOM 0 HE ARG A 6 7.465 -8.805 8.867 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.886 -12.008 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.371 -12.665 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.348 -9.717 9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.714 -11.416 9.367 1.00 0.00 H new ATOM 156 N THR A 7 1.699 -6.828 9.307 1.00 0.00 N ATOM 157 CA THR A 7 0.817 -5.879 9.988 1.00 0.00 C ATOM 158 C THR A 7 -0.577 -5.791 9.355 1.00 0.00 C ATOM 159 O THR A 7 -1.571 -5.774 10.077 1.00 0.00 O ATOM 160 CB THR A 7 1.465 -4.485 9.995 1.00 0.00 C ATOM 161 OG1 THR A 7 2.791 -4.537 10.490 1.00 0.00 O ATOM 162 CG2 THR A 7 0.699 -3.516 10.903 1.00 0.00 C ATOM 0 H THR A 7 2.477 -6.370 8.833 1.00 0.00 H new ATOM 0 HA THR A 7 0.683 -6.247 11.005 1.00 0.00 H new ATOM 0 HB THR A 7 1.448 -4.141 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.179 -3.637 10.481 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.184 -2.540 10.885 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.327 -3.418 10.548 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.694 -3.900 11.923 1.00 0.00 H new ATOM 170 N ILE A 8 -0.666 -5.763 8.020 1.00 0.00 N ATOM 171 CA ILE A 8 -1.942 -5.695 7.283 1.00 0.00 C ATOM 172 C ILE A 8 -2.783 -6.953 7.547 1.00 0.00 C ATOM 173 O ILE A 8 -3.971 -6.872 7.857 1.00 0.00 O ATOM 174 CB ILE A 8 -1.704 -5.508 5.763 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.724 -4.351 5.474 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.046 -5.272 5.039 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.351 -4.177 3.996 1.00 0.00 C ATOM 0 H ILE A 8 0.152 -5.787 7.411 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.492 -4.826 7.644 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.249 -6.423 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.165 -3.422 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.188 -4.515 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.866 -5.142 3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.699 -6.130 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.522 -4.377 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.341 -3.341 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.123 -5.088 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.251 -3.978 3.415 1.00 0.00 H new ATOM 189 N ALA A 9 -2.155 -8.125 7.455 1.00 0.00 N ATOM 190 CA ALA A 9 -2.744 -9.420 7.748 1.00 0.00 C ATOM 191 C ALA A 9 -3.151 -9.549 9.221 1.00 0.00 C ATOM 192 O ALA A 9 -4.265 -9.994 9.505 1.00 0.00 O ATOM 193 CB ALA A 9 -1.734 -10.497 7.362 1.00 0.00 C ATOM 0 H ALA A 9 -1.181 -8.195 7.161 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.661 -9.536 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.153 -11.481 7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.508 -10.419 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.819 -10.361 7.939 1.00 0.00 H new ATOM 199 N ARG A 10 -2.285 -9.098 10.149 1.00 0.00 N ATOM 200 CA ARG A 10 -2.500 -9.061 11.609 1.00 0.00 C ATOM 201 C ARG A 10 -3.796 -8.383 12.063 1.00 0.00 C ATOM 202 O ARG A 10 -4.201 -8.617 13.198 1.00 0.00 O ATOM 203 CB ARG A 10 -1.298 -8.390 12.303 1.00 0.00 C ATOM 204 CG ARG A 10 -0.214 -9.386 12.736 1.00 0.00 C ATOM 205 CD ARG A 10 -0.597 -10.035 14.069 1.00 0.00 C ATOM 206 NE ARG A 10 0.409 -11.018 14.505 1.00 0.00 N ATOM 207 CZ ARG A 10 0.345 -11.762 15.602 1.00 0.00 C ATOM 208 NH1 ARG A 10 -0.663 -11.670 16.437 1.00 0.00 N ATOM 209 NH2 ARG A 10 1.301 -12.617 15.879 1.00 0.00 N ATOM 0 H ARG A 10 -1.370 -8.731 9.888 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.597 -10.105 11.906 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.859 -7.657 11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.651 -7.844 13.178 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.088 -10.153 11.972 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.743 -8.874 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.706 -9.264 14.831 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.566 -10.525 13.970 1.00 0.00 H new ATOM 0 HE ARG A 10 1.229 -11.138 13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.422 -11.015 16.250 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.688 -12.254 17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.098 -12.712 15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.247 -13.186 16.724 1.00 0.00 H new ATOM 223 N MET A 11 -4.482 -7.629 11.194 1.00 0.00 N ATOM 224 CA MET A 11 -5.869 -7.208 11.417 1.00 0.00 C ATOM 225 C MET A 11 -6.805 -8.388 11.735 1.00 0.00 C ATOM 226 O MET A 11 -7.748 -8.208 12.500 1.00 0.00 O ATOM 227 CB MET A 11 -6.415 -6.482 10.178 1.00 0.00 C ATOM 228 CG MET A 11 -5.757 -5.131 9.888 1.00 0.00 C ATOM 229 SD MET A 11 -6.464 -4.337 8.417 1.00 0.00 S ATOM 230 CE MET A 11 -5.345 -2.924 8.236 1.00 0.00 C ATOM 0 H MET A 11 -4.089 -7.294 10.315 1.00 0.00 H new ATOM 0 HA MET A 11 -5.849 -6.542 12.279 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.287 -7.128 9.309 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.487 -6.329 10.306 1.00 0.00 H new ATOM 0 HG2 MET A 11 -5.880 -4.475 10.750 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.686 -5.272 9.745 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.644 -2.331 7.372 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.391 -2.307 9.133 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.326 -3.283 8.094 1.00 0.00 H new ATOM 240 N THR A 12 -6.584 -9.569 11.129 1.00 0.00 N ATOM 241 CA THR A 12 -7.449 -10.756 11.311 1.00 0.00 C ATOM 242 C THR A 12 -6.752 -12.120 11.192 1.00 0.00 C ATOM 243 O THR A 12 -7.311 -13.111 11.652 1.00 0.00 O ATOM 244 CB THR A 12 -8.601 -10.774 10.287 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.064 -10.880 8.988 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.507 -9.542 10.301 1.00 0.00 C ATOM 0 H THR A 12 -5.800 -9.730 10.497 1.00 0.00 H new ATOM 0 HA THR A 12 -7.794 -10.640 12.338 1.00 0.00 H new ATOM 0 HB THR A 12 -9.217 -11.627 10.572 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.613 -10.043 8.751 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.284 -9.653 9.545 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.968 -9.441 11.283 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.915 -8.653 10.085 1.00 0.00 H new ATOM 254 N GLY A 13 -5.593 -12.221 10.526 1.00 0.00 N ATOM 255 CA GLY A 13 -4.938 -13.480 10.152 1.00 0.00 C ATOM 256 C GLY A 13 -5.676 -14.281 9.068 1.00 0.00 C ATOM 257 O GLY A 13 -5.036 -14.762 8.137 1.00 0.00 O ATOM 0 H GLY A 13 -5.069 -11.400 10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.929 -13.261 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.838 -14.102 11.042 1.00 0.00 H new ATOM 261 N ILE A 14 -7.014 -14.387 9.121 1.00 0.00 N ATOM 262 CA ILE A 14 -7.829 -15.167 8.162 1.00 0.00 C ATOM 263 C ILE A 14 -7.541 -14.766 6.710 1.00 0.00 C ATOM 264 O ILE A 14 -7.522 -15.606 5.810 1.00 0.00 O ATOM 265 CB ILE A 14 -9.351 -15.159 8.500 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.259 -14.144 7.752 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.613 -14.979 10.008 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.627 -14.535 6.307 1.00 0.00 C ATOM 0 H ILE A 14 -7.573 -13.928 9.840 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.517 -16.206 8.270 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.637 -16.147 8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.179 -14.015 8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.757 -13.177 7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.687 -14.980 10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.149 -15.798 10.558 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.188 -14.032 10.341 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.262 -13.763 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.718 -14.634 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.162 -15.485 6.312 1.00 0.00 H new ATOM 280 N ARG A 15 -7.255 -13.474 6.501 1.00 0.00 N ATOM 281 CA ARG A 15 -6.887 -12.883 5.215 1.00 0.00 C ATOM 282 C ARG A 15 -5.603 -13.468 4.627 1.00 0.00 C ATOM 283 O ARG A 15 -5.463 -13.416 3.413 1.00 0.00 O ATOM 284 CB ARG A 15 -6.758 -11.359 5.363 1.00 0.00 C ATOM 285 CG ARG A 15 -8.096 -10.702 5.721 1.00 0.00 C ATOM 286 CD ARG A 15 -7.891 -9.240 6.138 1.00 0.00 C ATOM 287 NE ARG A 15 -9.099 -8.696 6.784 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.285 -7.449 7.191 1.00 0.00 C ATOM 289 NH1 ARG A 15 -8.353 -6.538 7.043 1.00 0.00 N ATOM 290 NH2 ARG A 15 -10.408 -7.099 7.774 1.00 0.00 N ATOM 0 H ARG A 15 -7.276 -12.788 7.255 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.685 -13.126 4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.024 -11.131 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.383 -10.935 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.770 -10.750 4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.571 -11.253 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.046 -9.169 6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.642 -8.641 5.262 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.871 -9.346 6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.464 -6.784 6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.517 -5.584 7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.145 -7.789 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.543 -6.137 8.084 1.00 0.00 H new ATOM 304 N GLU A 16 -4.680 -14.039 5.412 1.00 0.00 N ATOM 305 CA GLU A 16 -3.392 -14.541 4.904 1.00 0.00 C ATOM 306 C GLU A 16 -3.563 -15.559 3.776 1.00 0.00 C ATOM 307 O GLU A 16 -2.858 -15.474 2.773 1.00 0.00 O ATOM 308 CB GLU A 16 -2.546 -15.157 6.025 1.00 0.00 C ATOM 309 CG GLU A 16 -2.015 -14.074 6.967 1.00 0.00 C ATOM 310 CD GLU A 16 -1.139 -14.644 8.086 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.099 -15.252 7.738 1.00 0.00 O ATOM 312 OE2 GLU A 16 -1.502 -14.428 9.264 1.00 0.00 O ATOM 0 H GLU A 16 -4.803 -14.167 6.416 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.872 -13.672 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.146 -15.872 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.712 -15.711 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.438 -13.349 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.855 -13.536 7.407 1.00 0.00 H new ATOM 319 N ALA A 17 -4.546 -16.458 3.895 1.00 0.00 N ATOM 320 CA ALA A 17 -4.901 -17.413 2.848 1.00 0.00 C ATOM 321 C ALA A 17 -5.319 -16.731 1.530 1.00 0.00 C ATOM 322 O ALA A 17 -5.102 -17.282 0.455 1.00 0.00 O ATOM 323 CB ALA A 17 -6.031 -18.299 3.384 1.00 0.00 C ATOM 0 H ALA A 17 -5.122 -16.541 4.732 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.021 -18.009 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.318 -19.024 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.689 -18.825 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.891 -17.679 3.637 1.00 0.00 H new ATOM 329 N THR A 18 -5.885 -15.522 1.610 1.00 0.00 N ATOM 330 CA THR A 18 -6.273 -14.687 0.472 1.00 0.00 C ATOM 331 C THR A 18 -5.086 -13.851 -0.027 1.00 0.00 C ATOM 332 O THR A 18 -4.804 -13.855 -1.219 1.00 0.00 O ATOM 333 CB THR A 18 -7.533 -13.868 0.847 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.556 -14.169 -0.075 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.394 -12.347 0.895 1.00 0.00 C ATOM 0 H THR A 18 -6.093 -15.082 2.506 1.00 0.00 H new ATOM 0 HA THR A 18 -6.549 -15.305 -0.382 1.00 0.00 H new ATOM 0 HB THR A 18 -7.745 -14.168 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.361 -13.658 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.351 -11.903 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.641 -12.074 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.091 -11.978 -0.085 1.00 0.00 H new ATOM 343 N LEU A 19 -4.338 -13.202 0.872 1.00 0.00 N ATOM 344 CA LEU A 19 -3.167 -12.376 0.568 1.00 0.00 C ATOM 345 C LEU A 19 -2.066 -13.206 -0.117 1.00 0.00 C ATOM 346 O LEU A 19 -1.568 -12.831 -1.177 1.00 0.00 O ATOM 347 CB LEU A 19 -2.652 -11.732 1.871 1.00 0.00 C ATOM 348 CG LEU A 19 -3.658 -10.801 2.592 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.291 -10.641 4.077 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.787 -9.423 1.936 1.00 0.00 C ATOM 0 H LEU A 19 -4.541 -13.240 1.871 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.454 -11.589 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.360 -12.526 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.752 -11.160 1.643 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.630 -11.288 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.012 -9.983 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.307 -11.617 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.293 -10.210 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.507 -8.822 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.817 -8.925 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.128 -9.540 0.907 1.00 0.00 H new ATOM 362 N ARG A 20 -1.715 -14.364 0.466 1.00 0.00 N ATOM 363 CA ARG A 20 -0.722 -15.291 -0.091 1.00 0.00 C ATOM 364 C ARG A 20 -1.206 -16.005 -1.351 1.00 0.00 C ATOM 365 O ARG A 20 -0.381 -16.334 -2.196 1.00 0.00 O ATOM 366 CB ARG A 20 -0.273 -16.313 0.966 1.00 0.00 C ATOM 367 CG ARG A 20 0.432 -15.641 2.164 1.00 0.00 C ATOM 368 CD ARG A 20 1.723 -16.354 2.600 1.00 0.00 C ATOM 369 NE ARG A 20 1.506 -17.361 3.657 1.00 0.00 N ATOM 370 CZ ARG A 20 1.092 -18.616 3.535 1.00 0.00 C ATOM 371 NH1 ARG A 20 0.735 -19.130 2.380 1.00 0.00 N ATOM 372 NH2 ARG A 20 1.033 -19.388 4.594 1.00 0.00 N ATOM 0 H ARG A 20 -2.118 -14.684 1.346 1.00 0.00 H new ATOM 0 HA ARG A 20 0.132 -14.681 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.140 -16.870 1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.403 -17.035 0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.667 -14.609 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.257 -15.608 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.173 -16.838 1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.437 -15.612 2.956 1.00 0.00 H new ATOM 0 HE ARG A 20 1.700 -17.051 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.770 -18.560 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.422 -20.100 2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.305 -19.023 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.715 -20.353 4.504 1.00 0.00 H new ATOM 386 N ALA A 21 -2.519 -16.199 -1.516 1.00 0.00 N ATOM 387 CA ALA A 21 -3.085 -16.569 -2.810 1.00 0.00 C ATOM 388 C ALA A 21 -2.841 -15.454 -3.834 1.00 0.00 C ATOM 389 O ALA A 21 -2.216 -15.711 -4.861 1.00 0.00 O ATOM 390 CB ALA A 21 -4.578 -16.910 -2.678 1.00 0.00 C ATOM 0 H ALA A 21 -3.206 -16.105 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.583 -17.467 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.977 -17.182 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.701 -17.746 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.117 -16.043 -2.295 1.00 0.00 H new ATOM 396 N TRP A 22 -3.297 -14.225 -3.548 1.00 0.00 N ATOM 397 CA TRP A 22 -3.168 -13.088 -4.455 1.00 0.00 C ATOM 398 C TRP A 22 -1.745 -12.841 -4.938 1.00 0.00 C ATOM 399 O TRP A 22 -1.594 -12.515 -6.109 1.00 0.00 O ATOM 400 CB TRP A 22 -3.711 -11.804 -3.849 1.00 0.00 C ATOM 401 CG TRP A 22 -5.138 -11.737 -3.421 1.00 0.00 C ATOM 402 CD1 TRP A 22 -6.165 -12.477 -3.892 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.718 -10.819 -2.450 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.332 -12.075 -3.273 1.00 0.00 N ATOM 405 CE2 TRP A 22 -7.124 -11.019 -2.418 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.194 -9.824 -1.604 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.974 -10.256 -1.607 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -6.031 -9.056 -0.774 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.419 -9.270 -0.770 1.00 0.00 C ATOM 0 H TRP A 22 -3.768 -13.997 -2.673 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.769 -13.369 -5.320 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.098 -11.570 -2.979 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.551 -11.007 -4.575 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.086 -13.258 -4.634 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.241 -12.510 -3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.129 -9.647 -1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -9.041 -10.422 -1.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.603 -8.297 -0.136 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.057 -8.681 -0.128 1.00 0.00 H new ATOM 420 N GLU A 23 -0.728 -13.062 -4.098 1.00 0.00 N ATOM 421 CA GLU A 23 0.695 -13.031 -4.469 1.00 0.00 C ATOM 422 C GLU A 23 0.968 -13.754 -5.803 1.00 0.00 C ATOM 423 O GLU A 23 1.555 -13.166 -6.709 1.00 0.00 O ATOM 424 CB GLU A 23 1.516 -13.623 -3.303 1.00 0.00 C ATOM 425 CG GLU A 23 2.891 -12.966 -3.093 1.00 0.00 C ATOM 426 CD GLU A 23 3.899 -13.221 -4.224 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.128 -14.419 -4.523 1.00 0.00 O ATOM 428 OE2 GLU A 23 4.455 -12.219 -4.725 1.00 0.00 O ATOM 0 H GLU A 23 -0.875 -13.274 -3.111 1.00 0.00 H new ATOM 0 HA GLU A 23 1.001 -11.998 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.938 -13.529 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.660 -14.689 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.752 -11.890 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.314 -13.330 -2.157 1.00 0.00 H new ATOM 435 N ARG A 24 0.454 -14.987 -5.962 1.00 0.00 N ATOM 436 CA ARG A 24 0.543 -15.774 -7.205 1.00 0.00 C ATOM 437 C ARG A 24 -0.652 -15.566 -8.153 1.00 0.00 C ATOM 438 O ARG A 24 -0.508 -15.766 -9.356 1.00 0.00 O ATOM 439 CB ARG A 24 0.749 -17.253 -6.822 1.00 0.00 C ATOM 440 CG ARG A 24 0.845 -18.199 -8.031 1.00 0.00 C ATOM 441 CD ARG A 24 1.417 -19.575 -7.656 1.00 0.00 C ATOM 442 NE ARG A 24 2.892 -19.571 -7.657 1.00 0.00 N ATOM 443 CZ ARG A 24 3.694 -20.593 -7.379 1.00 0.00 C ATOM 444 NH1 ARG A 24 3.229 -21.739 -6.937 1.00 0.00 N ATOM 445 NH2 ARG A 24 4.991 -20.483 -7.547 1.00 0.00 N ATOM 0 H ARG A 24 -0.044 -15.473 -5.216 1.00 0.00 H new ATOM 0 HA ARG A 24 1.397 -15.421 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.660 -17.342 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.077 -17.573 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.145 -18.327 -8.468 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.474 -17.744 -8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.054 -19.863 -6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.055 -20.324 -8.360 1.00 0.00 H new ATOM 0 HE ARG A 24 3.345 -18.689 -7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.226 -21.863 -6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.871 -22.505 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.388 -19.609 -7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.602 -21.271 -7.332 1.00 0.00 H new ATOM 459 N ARG A 25 -1.826 -15.186 -7.633 1.00 0.00 N ATOM 460 CA ARG A 25 -3.103 -15.103 -8.368 1.00 0.00 C ATOM 461 C ARG A 25 -3.294 -13.779 -9.137 1.00 0.00 C ATOM 462 O ARG A 25 -3.960 -13.795 -10.167 1.00 0.00 O ATOM 463 CB ARG A 25 -4.229 -15.365 -7.350 1.00 0.00 C ATOM 464 CG ARG A 25 -5.565 -15.935 -7.844 1.00 0.00 C ATOM 465 CD ARG A 25 -6.408 -16.207 -6.581 1.00 0.00 C ATOM 466 NE ARG A 25 -7.842 -16.411 -6.855 1.00 0.00 N ATOM 467 CZ ARG A 25 -8.750 -16.813 -5.969 1.00 0.00 C ATOM 468 NH1 ARG A 25 -8.429 -17.120 -4.730 1.00 0.00 N ATOM 469 NH2 ARG A 25 -10.015 -16.897 -6.304 1.00 0.00 N ATOM 0 H ARG A 25 -1.920 -14.917 -6.654 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.116 -15.856 -9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.838 -16.050 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.441 -14.423 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.069 -15.230 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.411 -16.851 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.015 -17.090 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.295 -15.369 -5.893 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.166 -16.228 -7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.459 -17.053 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.151 -17.425 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.309 -16.653 -7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.705 -17.206 -5.619 1.00 0.00 H new ATOM 483 N TYR A 26 -2.714 -12.659 -8.667 1.00 0.00 N ATOM 484 CA TYR A 26 -2.804 -11.316 -9.289 1.00 0.00 C ATOM 485 C TYR A 26 -1.593 -10.401 -9.021 1.00 0.00 C ATOM 486 O TYR A 26 -1.204 -9.623 -9.890 1.00 0.00 O ATOM 487 CB TYR A 26 -4.036 -10.544 -8.774 1.00 0.00 C ATOM 488 CG TYR A 26 -5.341 -11.301 -8.819 1.00 0.00 C ATOM 489 CD1 TYR A 26 -6.109 -11.354 -9.997 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.752 -12.005 -7.677 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.282 -12.136 -10.041 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.903 -12.806 -7.728 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.668 -12.892 -8.910 1.00 0.00 C ATOM 494 OH TYR A 26 -8.745 -13.732 -8.967 1.00 0.00 O ATOM 0 H TYR A 26 -2.151 -12.659 -7.817 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.859 -11.533 -10.356 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.848 -10.239 -7.745 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.144 -9.632 -9.362 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.800 -10.795 -10.868 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.184 -11.931 -6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.884 -12.157 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.206 -13.362 -6.853 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.726 -14.341 -8.200 1.00 0.00 H new ATOM 504 N GLY A 27 -1.058 -10.430 -7.794 1.00 0.00 N ATOM 505 CA GLY A 27 -0.001 -9.564 -7.275 1.00 0.00 C ATOM 506 C GLY A 27 -0.479 -8.483 -6.293 1.00 0.00 C ATOM 507 O GLY A 27 0.354 -7.894 -5.622 1.00 0.00 O ATOM 0 H GLY A 27 -1.374 -11.103 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.745 -10.183 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.497 -9.078 -8.114 1.00 0.00 H new ATOM 511 N PHE A 28 -1.784 -8.201 -6.185 1.00 0.00 N ATOM 512 CA PHE A 28 -2.334 -7.243 -5.212 1.00 0.00 C ATOM 513 C PHE A 28 -2.425 -7.857 -3.797 1.00 0.00 C ATOM 514 O PHE A 28 -2.808 -9.014 -3.684 1.00 0.00 O ATOM 515 CB PHE A 28 -3.728 -6.810 -5.690 1.00 0.00 C ATOM 516 CG PHE A 28 -4.587 -6.074 -4.674 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.369 -6.803 -3.755 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.653 -4.667 -4.675 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.259 -6.142 -2.893 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.526 -4.002 -3.795 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.345 -4.740 -2.925 1.00 0.00 C ATOM 0 H PHE A 28 -2.495 -8.634 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.668 -6.382 -5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.607 -6.170 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.269 -7.698 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.283 -7.879 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.033 -4.098 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.874 -6.708 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.566 -2.923 -3.788 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.043 -4.228 -2.279 1.00 0.00 H new ATOM 531 N PRO A 29 -2.184 -7.103 -2.708 1.00 0.00 N ATOM 532 CA PRO A 29 -1.482 -5.826 -2.689 1.00 0.00 C ATOM 533 C PRO A 29 -0.018 -6.041 -3.076 1.00 0.00 C ATOM 534 O PRO A 29 0.551 -7.084 -2.755 1.00 0.00 O ATOM 535 CB PRO A 29 -1.610 -5.341 -1.251 1.00 0.00 C ATOM 536 CG PRO A 29 -1.708 -6.621 -0.417 1.00 0.00 C ATOM 537 CD PRO A 29 -2.434 -7.576 -1.353 1.00 0.00 C ATOM 0 HA PRO A 29 -1.889 -5.100 -3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.748 -4.742 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.493 -4.715 -1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.724 -6.998 -0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.263 -6.460 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.069 -8.595 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.503 -7.590 -1.139 1.00 0.00 H new ATOM 545 N ARG A 30 0.600 -5.059 -3.745 1.00 0.00 N ATOM 546 CA ARG A 30 1.913 -5.254 -4.365 1.00 0.00 C ATOM 547 C ARG A 30 2.968 -4.428 -3.633 1.00 0.00 C ATOM 548 O ARG A 30 2.981 -3.207 -3.777 1.00 0.00 O ATOM 549 CB ARG A 30 1.833 -4.967 -5.874 1.00 0.00 C ATOM 550 CG ARG A 30 2.475 -6.084 -6.721 1.00 0.00 C ATOM 551 CD ARG A 30 3.828 -5.728 -7.351 1.00 0.00 C ATOM 552 NE ARG A 30 3.834 -6.081 -8.784 1.00 0.00 N ATOM 553 CZ ARG A 30 3.168 -5.448 -9.744 1.00 0.00 C ATOM 554 NH1 ARG A 30 2.503 -4.339 -9.508 1.00 0.00 N ATOM 555 NH2 ARG A 30 3.146 -5.928 -10.965 1.00 0.00 N ATOM 0 H ARG A 30 0.211 -4.124 -3.870 1.00 0.00 H new ATOM 0 HA ARG A 30 2.224 -6.294 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.789 -4.850 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.331 -4.021 -6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.605 -6.965 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.782 -6.359 -7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.024 -4.662 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.628 -6.259 -6.835 1.00 0.00 H new ATOM 0 HE ARG A 30 4.400 -6.883 -9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.489 -3.943 -8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.001 -3.875 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.642 -6.792 -11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.633 -5.437 -11.697 1.00 0.00 H new ATOM 569 N PRO A 31 3.830 -5.051 -2.811 1.00 0.00 N ATOM 570 CA PRO A 31 4.759 -4.291 -1.999 1.00 0.00 C ATOM 571 C PRO A 31 5.855 -3.652 -2.849 1.00 0.00 C ATOM 572 O PRO A 31 6.351 -4.242 -3.814 1.00 0.00 O ATOM 573 CB PRO A 31 5.312 -5.282 -0.997 1.00 0.00 C ATOM 574 CG PRO A 31 5.256 -6.625 -1.724 1.00 0.00 C ATOM 575 CD PRO A 31 3.999 -6.482 -2.585 1.00 0.00 C ATOM 0 HA PRO A 31 4.273 -3.454 -1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.332 -5.028 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.717 -5.299 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.146 -6.796 -2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.179 -7.460 -1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.109 -7.016 -3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.130 -6.903 -2.080 1.00 0.00 H new ATOM 583 N LEU A 32 6.230 -2.434 -2.467 1.00 0.00 N ATOM 584 CA LEU A 32 7.217 -1.624 -3.165 1.00 0.00 C ATOM 585 C LEU A 32 8.620 -2.203 -2.923 1.00 0.00 C ATOM 586 O LEU A 32 8.871 -2.854 -1.903 1.00 0.00 O ATOM 587 CB LEU A 32 7.132 -0.128 -2.762 1.00 0.00 C ATOM 588 CG LEU A 32 5.962 0.369 -1.877 1.00 0.00 C ATOM 589 CD1 LEU A 32 6.125 1.871 -1.629 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.564 0.113 -2.471 1.00 0.00 C ATOM 0 H LEU A 32 5.844 -1.974 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 32 7.003 -1.661 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.059 0.122 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.113 0.455 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 32 6.015 -0.206 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.305 2.228 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.072 2.055 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.114 2.400 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.804 0.491 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.477 0.624 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.421 -0.958 -2.616 1.00 0.00 H new ATOM 732 N VAL A 41 7.867 -3.231 1.465 1.00 0.00 N ATOM 733 CA VAL A 41 6.844 -2.562 2.305 1.00 0.00 C ATOM 734 C VAL A 41 5.601 -2.211 1.466 1.00 0.00 C ATOM 735 O VAL A 41 5.646 -2.298 0.243 1.00 0.00 O ATOM 736 CB VAL A 41 7.451 -1.309 2.994 1.00 0.00 C ATOM 737 CG1 VAL A 41 6.569 -0.723 4.107 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.797 -1.621 3.675 1.00 0.00 C ATOM 0 HA VAL A 41 6.523 -3.247 3.089 1.00 0.00 H new ATOM 0 HB VAL A 41 7.554 -0.598 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.060 0.149 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.606 -0.427 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.414 -1.474 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.186 -0.717 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.651 -2.390 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.508 -1.977 2.930 1.00 0.00 H new ATOM 748 N TYR A 42 4.484 -1.820 2.090 1.00 0.00 N ATOM 749 CA TYR A 42 3.219 -1.512 1.410 1.00 0.00 C ATOM 750 C TYR A 42 2.781 -0.059 1.620 1.00 0.00 C ATOM 751 O TYR A 42 3.129 0.575 2.621 1.00 0.00 O ATOM 752 CB TYR A 42 2.131 -2.452 1.938 1.00 0.00 C ATOM 753 CG TYR A 42 2.337 -3.905 1.573 1.00 0.00 C ATOM 754 CD1 TYR A 42 3.278 -4.687 2.268 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.621 -4.456 0.502 1.00 0.00 C ATOM 756 CE1 TYR A 42 3.507 -6.022 1.893 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.811 -5.804 0.157 1.00 0.00 C ATOM 758 CZ TYR A 42 2.746 -6.596 0.849 1.00 0.00 C ATOM 759 OH TYR A 42 2.948 -7.884 0.463 1.00 0.00 O ATOM 0 H TYR A 42 4.432 -1.706 3.102 1.00 0.00 H new ATOM 0 HA TYR A 42 3.372 -1.654 0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.086 -2.364 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.165 -2.125 1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.827 -4.259 3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.926 -3.846 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.261 -6.606 2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.234 -6.237 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 42 2.334 -8.107 -0.267 1.00 0.00 H new ATOM 769 N SER A 43 1.953 0.435 0.692 1.00 0.00 N ATOM 770 CA SER A 43 1.327 1.755 0.766 1.00 0.00 C ATOM 771 C SER A 43 -0.048 1.714 1.442 1.00 0.00 C ATOM 772 O SER A 43 -0.738 0.691 1.475 1.00 0.00 O ATOM 773 CB SER A 43 1.172 2.343 -0.639 1.00 0.00 C ATOM 774 OG SER A 43 2.409 2.802 -1.133 1.00 0.00 O ATOM 0 H SER A 43 1.696 -0.084 -0.147 1.00 0.00 H new ATOM 0 HA SER A 43 1.982 2.381 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.766 1.587 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.457 3.166 -0.616 1.00 0.00 H new ATOM 0 HG SER A 43 2.285 3.172 -2.032 1.00 0.00 H new ATOM 780 N ARG A 44 -0.469 2.880 1.942 1.00 0.00 N ATOM 781 CA ARG A 44 -1.763 3.095 2.600 1.00 0.00 C ATOM 782 C ARG A 44 -2.952 2.885 1.649 1.00 0.00 C ATOM 783 O ARG A 44 -3.966 2.345 2.079 1.00 0.00 O ATOM 784 CB ARG A 44 -1.757 4.491 3.255 1.00 0.00 C ATOM 785 CG ARG A 44 -2.219 4.479 4.719 1.00 0.00 C ATOM 786 CD ARG A 44 -3.740 4.553 4.869 1.00 0.00 C ATOM 787 NE ARG A 44 -4.106 4.583 6.297 1.00 0.00 N ATOM 788 CZ ARG A 44 -5.263 4.974 6.810 1.00 0.00 C ATOM 789 NH1 ARG A 44 -6.267 5.350 6.049 1.00 0.00 N ATOM 790 NH2 ARG A 44 -5.423 4.988 8.114 1.00 0.00 N ATOM 0 H ARG A 44 0.098 3.727 1.899 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.899 2.343 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.750 4.904 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.404 5.156 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.856 3.571 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.767 5.321 5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.120 5.444 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.204 3.694 4.384 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.395 4.270 6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.167 5.346 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.146 5.646 6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.659 4.699 8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.311 5.288 8.516 1.00 0.00 H new ATOM 804 N GLU A 45 -2.784 3.236 0.368 1.00 0.00 N ATOM 805 CA GLU A 45 -3.711 2.949 -0.737 1.00 0.00 C ATOM 806 C GLU A 45 -3.956 1.440 -0.929 1.00 0.00 C ATOM 807 O GLU A 45 -5.114 1.016 -0.937 1.00 0.00 O ATOM 808 CB GLU A 45 -3.247 3.627 -2.043 1.00 0.00 C ATOM 809 CG GLU A 45 -1.751 3.435 -2.353 1.00 0.00 C ATOM 810 CD GLU A 45 -1.331 3.923 -3.746 1.00 0.00 C ATOM 811 OE1 GLU A 45 -2.103 3.737 -4.703 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.203 4.482 -3.812 1.00 0.00 O ATOM 0 H GLU A 45 -1.960 3.752 0.058 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.674 3.379 -0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.833 3.232 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.460 4.694 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.165 3.965 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.505 2.377 -2.261 1.00 0.00 H new ATOM 819 N GLU A 46 -2.901 0.609 -1.004 1.00 0.00 N ATOM 820 CA GLU A 46 -3.055 -0.844 -0.924 1.00 0.00 C ATOM 821 C GLU A 46 -3.788 -1.244 0.357 1.00 0.00 C ATOM 822 O GLU A 46 -4.755 -1.989 0.267 1.00 0.00 O ATOM 823 CB GLU A 46 -1.713 -1.600 -1.005 1.00 0.00 C ATOM 824 CG GLU A 46 -1.352 -2.085 -2.421 1.00 0.00 C ATOM 825 CD GLU A 46 -0.574 -1.090 -3.281 1.00 0.00 C ATOM 826 OE1 GLU A 46 -0.312 0.029 -2.809 1.00 0.00 O ATOM 827 OE2 GLU A 46 -0.217 -1.533 -4.408 1.00 0.00 O ATOM 0 H GLU A 46 -1.938 0.923 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.646 -1.131 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.918 -0.949 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.751 -2.460 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.765 -2.999 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.273 -2.346 -2.942 1.00 0.00 H new ATOM 834 N VAL A 47 -3.367 -0.759 1.534 1.00 0.00 N ATOM 835 CA VAL A 47 -4.012 -1.114 2.810 1.00 0.00 C ATOM 836 C VAL A 47 -5.520 -0.855 2.798 1.00 0.00 C ATOM 837 O VAL A 47 -6.278 -1.779 3.088 1.00 0.00 O ATOM 838 CB VAL A 47 -3.335 -0.430 4.016 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.133 -0.605 5.319 1.00 0.00 C ATOM 840 CG2 VAL A 47 -1.960 -1.059 4.246 1.00 0.00 C ATOM 0 H VAL A 47 -2.580 -0.117 1.630 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.875 -2.189 2.926 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.271 0.632 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.612 -0.104 6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.125 -0.168 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.229 -1.667 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.478 -0.579 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.076 -2.124 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.345 -0.924 3.357 1.00 0.00 H new ATOM 850 N GLU A 48 -5.975 0.364 2.493 1.00 0.00 N ATOM 851 CA GLU A 48 -7.410 0.673 2.498 1.00 0.00 C ATOM 852 C GLU A 48 -8.194 -0.135 1.455 1.00 0.00 C ATOM 853 O GLU A 48 -9.265 -0.659 1.781 1.00 0.00 O ATOM 854 CB GLU A 48 -7.654 2.184 2.384 1.00 0.00 C ATOM 855 CG GLU A 48 -7.206 2.820 1.064 1.00 0.00 C ATOM 856 CD GLU A 48 -7.248 4.348 1.167 1.00 0.00 C ATOM 857 OE1 GLU A 48 -6.439 4.890 1.978 1.00 0.00 O ATOM 858 OE2 GLU A 48 -8.098 4.946 0.493 1.00 0.00 O ATOM 0 H GLU A 48 -5.375 1.150 2.241 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.803 0.357 3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.719 2.375 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.136 2.682 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.195 2.493 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.854 2.486 0.253 1.00 0.00 H new ATOM 865 N ALA A 49 -7.632 -0.316 0.250 1.00 0.00 N ATOM 866 CA ALA A 49 -8.187 -1.205 -0.763 1.00 0.00 C ATOM 867 C ALA A 49 -8.309 -2.634 -0.224 1.00 0.00 C ATOM 868 O ALA A 49 -9.410 -3.173 -0.194 1.00 0.00 O ATOM 869 CB ALA A 49 -7.329 -1.141 -2.030 1.00 0.00 C ATOM 0 H ALA A 49 -6.776 0.156 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.194 -0.876 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.746 -1.807 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.319 -0.120 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.311 -1.451 -1.796 1.00 0.00 H new ATOM 875 N VAL A 50 -7.210 -3.235 0.245 1.00 0.00 N ATOM 876 CA VAL A 50 -7.150 -4.590 0.813 1.00 0.00 C ATOM 877 C VAL A 50 -8.136 -4.762 1.954 1.00 0.00 C ATOM 878 O VAL A 50 -8.820 -5.778 2.003 1.00 0.00 O ATOM 879 CB VAL A 50 -5.733 -4.903 1.319 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.635 -6.205 2.133 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.765 -5.039 0.151 1.00 0.00 C ATOM 0 H VAL A 50 -6.300 -2.774 0.240 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.416 -5.284 0.016 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.478 -4.065 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.605 -6.356 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.282 -6.137 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.949 -7.046 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.767 -5.261 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.094 -5.848 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.741 -4.106 -0.412 1.00 0.00 H new ATOM 891 N ARG A 51 -8.225 -3.784 2.862 1.00 0.00 N ATOM 892 CA ARG A 51 -9.149 -3.814 3.993 1.00 0.00 C ATOM 893 C ARG A 51 -10.603 -3.882 3.516 1.00 0.00 C ATOM 894 O ARG A 51 -11.350 -4.721 4.019 1.00 0.00 O ATOM 895 CB ARG A 51 -8.869 -2.611 4.905 1.00 0.00 C ATOM 896 CG ARG A 51 -9.331 -2.873 6.342 1.00 0.00 C ATOM 897 CD ARG A 51 -9.024 -1.679 7.252 1.00 0.00 C ATOM 898 NE ARG A 51 -10.120 -0.693 7.240 1.00 0.00 N ATOM 899 CZ ARG A 51 -10.276 0.322 8.080 1.00 0.00 C ATOM 900 NH1 ARG A 51 -9.352 0.648 8.953 1.00 0.00 N ATOM 901 NH2 ARG A 51 -11.384 1.025 8.064 1.00 0.00 N ATOM 0 H ARG A 51 -7.650 -2.942 2.829 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.989 -4.719 4.579 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.802 -2.391 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.378 -1.730 4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.402 -3.074 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.836 -3.764 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.860 -2.030 8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.100 -1.201 6.927 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.828 -0.802 6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.483 0.115 8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.502 1.434 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.127 0.791 7.405 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.502 1.805 8.710 1.00 0.00 H new ATOM 915 N ARG A 52 -10.982 -3.062 2.519 1.00 0.00 N ATOM 916 CA ARG A 52 -12.266 -3.168 1.803 1.00 0.00 C ATOM 917 C ARG A 52 -12.425 -4.528 1.130 1.00 0.00 C ATOM 918 O ARG A 52 -13.367 -5.239 1.468 1.00 0.00 O ATOM 919 CB ARG A 52 -12.434 -2.026 0.778 1.00 0.00 C ATOM 920 CG ARG A 52 -13.226 -0.855 1.374 1.00 0.00 C ATOM 921 CD ARG A 52 -13.302 0.342 0.416 1.00 0.00 C ATOM 922 NE ARG A 52 -14.249 0.128 -0.699 1.00 0.00 N ATOM 923 CZ ARG A 52 -14.377 0.890 -1.782 1.00 0.00 C ATOM 924 NH1 ARG A 52 -13.589 1.916 -2.008 1.00 0.00 N ATOM 925 NH2 ARG A 52 -15.314 0.640 -2.666 1.00 0.00 N ATOM 0 H ARG A 52 -10.397 -2.297 2.184 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.057 -3.072 2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.453 -1.677 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.947 -2.402 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.235 -1.188 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.760 -0.541 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.601 1.229 0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.310 0.540 0.010 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.864 -0.683 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.852 2.149 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.714 2.480 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.951 -0.144 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.405 1.229 -3.493 1.00 0.00 H new ATOM 939 N VAL A 53 -11.514 -4.887 0.217 1.00 0.00 N ATOM 940 CA VAL A 53 -11.500 -6.144 -0.541 1.00 0.00 C ATOM 941 C VAL A 53 -11.707 -7.332 0.401 1.00 0.00 C ATOM 942 O VAL A 53 -12.683 -8.050 0.246 1.00 0.00 O ATOM 943 CB VAL A 53 -10.223 -6.271 -1.412 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.128 -7.648 -2.077 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.154 -5.199 -2.516 1.00 0.00 C ATOM 0 H VAL A 53 -10.730 -4.281 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.334 -6.142 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.388 -6.130 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.221 -7.700 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.099 -8.421 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.997 -7.804 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.241 -5.333 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.019 -5.296 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.153 -4.208 -2.062 1.00 0.00 H new ATOM 955 N ALA A 54 -10.868 -7.508 1.422 1.00 0.00 N ATOM 956 CA ALA A 54 -10.987 -8.564 2.426 1.00 0.00 C ATOM 957 C ALA A 54 -12.361 -8.617 3.114 1.00 0.00 C ATOM 958 O ALA A 54 -12.924 -9.704 3.267 1.00 0.00 O ATOM 959 CB ALA A 54 -9.890 -8.359 3.466 1.00 0.00 C ATOM 0 H ALA A 54 -10.063 -6.901 1.577 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.879 -9.519 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.960 -9.137 4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.915 -8.411 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.011 -7.382 3.934 1.00 0.00 H new ATOM 965 N ARG A 55 -12.916 -7.466 3.525 1.00 0.00 N ATOM 966 CA ARG A 55 -14.271 -7.421 4.089 1.00 0.00 C ATOM 967 C ARG A 55 -15.335 -7.803 3.059 1.00 0.00 C ATOM 968 O ARG A 55 -16.286 -8.483 3.420 1.00 0.00 O ATOM 969 CB ARG A 55 -14.583 -6.040 4.689 1.00 0.00 C ATOM 970 CG ARG A 55 -15.022 -6.133 6.162 1.00 0.00 C ATOM 971 CD ARG A 55 -16.202 -5.205 6.460 1.00 0.00 C ATOM 972 NE ARG A 55 -17.483 -5.808 6.017 1.00 0.00 N ATOM 973 CZ ARG A 55 -18.686 -5.250 6.063 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.828 -4.009 6.474 1.00 0.00 N ATOM 975 NH2 ARG A 55 -19.767 -5.900 5.711 1.00 0.00 N ATOM 0 H ARG A 55 -12.449 -6.560 3.477 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.300 -8.161 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.700 -5.405 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.370 -5.562 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.300 -7.161 6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.183 -5.875 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.245 -4.998 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.053 -4.250 5.957 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.434 -6.753 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.011 -3.470 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.755 -3.586 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.699 -6.866 5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.676 -5.441 5.759 1.00 0.00 H new ATOM 989 N LEU A 56 -15.153 -7.406 1.797 1.00 0.00 N ATOM 990 CA LEU A 56 -15.962 -7.817 0.649 1.00 0.00 C ATOM 991 C LEU A 56 -15.868 -9.340 0.396 1.00 0.00 C ATOM 992 O LEU A 56 -16.890 -9.981 0.163 1.00 0.00 O ATOM 993 CB LEU A 56 -15.523 -7.010 -0.596 1.00 0.00 C ATOM 994 CG LEU A 56 -16.537 -6.056 -1.256 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.948 -6.630 -1.391 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.598 -4.711 -0.528 1.00 0.00 C ATOM 0 H LEU A 56 -14.406 -6.762 1.537 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.009 -7.604 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.649 -6.421 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.198 -7.723 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.159 -5.912 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.597 -5.893 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.917 -7.533 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.338 -6.874 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.323 -4.063 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.899 -4.871 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.615 -4.240 -0.552 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.673 -9.947 0.496 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.488 -11.409 0.438 1.00 0.00 C ATOM 1010 C ILE A 57 -15.360 -12.109 1.482 1.00 0.00 C ATOM 1011 O ILE A 57 -15.981 -13.117 1.158 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.995 -11.831 0.558 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.283 -11.828 -0.808 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.791 -13.247 1.140 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.874 -10.444 -1.275 1.00 0.00 C ATOM 0 H ILE A 57 -13.801 -9.433 0.620 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.814 -11.734 -0.550 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.574 -11.088 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.396 -12.459 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.942 -12.274 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.725 -13.469 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.221 -13.295 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.283 -13.978 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.379 -10.518 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.759 -9.815 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.190 -10.003 -0.550 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.450 -11.571 2.705 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.329 -12.117 3.745 1.00 0.00 C ATOM 1029 C GLN A 58 -17.821 -12.148 3.359 1.00 0.00 C ATOM 1030 O GLN A 58 -18.575 -12.894 3.978 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.123 -11.356 5.073 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.317 -12.139 6.121 1.00 0.00 C ATOM 1033 CD GLN A 58 -15.975 -13.462 6.515 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.977 -13.504 7.211 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.419 -14.590 6.110 1.00 0.00 N ATOM 0 H GLN A 58 -14.919 -10.751 2.999 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.038 -13.160 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.613 -10.415 4.866 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.098 -11.105 5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.319 -12.338 5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.193 -11.522 7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.582 -14.566 5.528 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.827 -15.485 6.379 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.255 -11.389 2.345 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.642 -11.385 1.869 1.00 0.00 C ATOM 1046 C GLU A 59 -19.908 -12.514 0.847 1.00 0.00 C ATOM 1047 O GLU A 59 -21.037 -12.989 0.773 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.988 -10.011 1.235 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.499 -8.712 1.964 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.440 -7.990 2.942 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -21.505 -7.529 2.442 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.033 -7.805 4.098 1.00 0.00 O ATOM 0 H GLU A 59 -17.646 -10.755 1.828 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.282 -11.562 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.580 -9.999 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.072 -9.952 1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -18.592 -8.968 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.215 -7.994 1.195 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.894 -12.951 0.076 1.00 0.00 N ATOM 1060 CA GLU A 60 -19.029 -13.963 -0.997 1.00 0.00 C ATOM 1061 C GLU A 60 -17.689 -14.611 -1.403 1.00 0.00 C ATOM 1062 O GLU A 60 -17.591 -15.830 -1.508 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.682 -13.319 -2.248 1.00 0.00 C ATOM 1064 CG GLU A 60 -21.073 -13.886 -2.572 1.00 0.00 C ATOM 1065 CD GLU A 60 -20.988 -15.224 -3.318 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -20.898 -16.264 -2.622 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.000 -15.185 -4.568 1.00 0.00 O ATOM 0 H GLU A 60 -17.940 -12.606 0.181 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.659 -14.756 -0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.764 -12.243 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -19.028 -13.468 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.634 -14.021 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.625 -13.168 -3.178 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.656 -13.801 -1.671 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.318 -14.267 -2.061 1.00 0.00 C ATOM 1076 C GLY A 61 -14.961 -13.992 -3.525 1.00 0.00 C ATOM 1077 O GLY A 61 -13.784 -13.802 -3.831 1.00 0.00 O ATOM 0 H GLY A 61 -16.728 -12.785 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.577 -13.787 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.251 -15.339 -1.877 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.959 -13.869 -4.412 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.819 -13.377 -5.793 1.00 0.00 C ATOM 1083 C LEU A 62 -15.006 -12.075 -5.846 1.00 0.00 C ATOM 1084 O LEU A 62 -14.132 -11.923 -6.701 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.233 -13.241 -6.396 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.426 -12.264 -7.577 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.563 -12.575 -8.809 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.893 -12.300 -8.013 1.00 0.00 C ATOM 0 H LEU A 62 -16.921 -14.118 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.252 -14.085 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.552 -14.230 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.909 -12.937 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.117 -11.286 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.763 -11.840 -9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.509 -12.535 -8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.804 -13.571 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.042 -11.614 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.155 -13.311 -8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.528 -12.001 -7.179 1.00 0.00 H new ATOM 1100 N SER A 63 -15.215 -11.190 -4.866 1.00 0.00 N ATOM 1101 CA SER A 63 -14.452 -9.965 -4.652 1.00 0.00 C ATOM 1102 C SER A 63 -12.933 -10.134 -4.547 1.00 0.00 C ATOM 1103 O SER A 63 -12.249 -9.122 -4.641 1.00 0.00 O ATOM 1104 CB SER A 63 -14.970 -9.244 -3.413 1.00 0.00 C ATOM 1105 OG SER A 63 -16.326 -8.886 -3.586 1.00 0.00 O ATOM 0 H SER A 63 -15.953 -11.317 -4.173 1.00 0.00 H new ATOM 0 HA SER A 63 -14.610 -9.378 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.865 -9.887 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.372 -8.352 -3.226 1.00 0.00 H new ATOM 0 HG SER A 63 -16.419 -7.913 -3.517 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.382 -11.354 -4.443 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.977 -11.599 -4.788 1.00 0.00 C ATOM 1113 C VAL A 64 -10.705 -11.090 -6.199 1.00 0.00 C ATOM 1114 O VAL A 64 -9.970 -10.127 -6.373 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.596 -13.089 -4.639 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.295 -13.414 -5.381 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.442 -13.490 -3.167 1.00 0.00 C ATOM 0 H VAL A 64 -12.887 -12.181 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.348 -11.051 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.413 -13.660 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.058 -14.470 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.416 -13.194 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.484 -12.809 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.174 -14.545 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.659 -12.888 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.384 -13.323 -2.644 1.00 0.00 H new ATOM 1127 N SER A 65 -11.305 -11.714 -7.212 1.00 0.00 N ATOM 1128 CA SER A 65 -11.128 -11.273 -8.594 1.00 0.00 C ATOM 1129 C SER A 65 -11.839 -9.943 -8.829 1.00 0.00 C ATOM 1130 O SER A 65 -11.267 -9.054 -9.454 1.00 0.00 O ATOM 1131 CB SER A 65 -11.627 -12.355 -9.570 1.00 0.00 C ATOM 1132 OG SER A 65 -10.615 -12.650 -10.531 1.00 0.00 O ATOM 0 H SER A 65 -11.916 -12.524 -7.102 1.00 0.00 H new ATOM 0 HA SER A 65 -10.065 -11.118 -8.778 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.892 -13.258 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.530 -12.012 -10.075 1.00 0.00 H new ATOM 0 HG SER A 65 -9.766 -12.818 -10.071 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.063 -9.801 -8.306 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.883 -8.627 -8.559 1.00 0.00 C ATOM 1140 C GLU A 66 -13.305 -7.350 -7.959 1.00 0.00 C ATOM 1141 O GLU A 66 -13.115 -6.401 -8.705 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.333 -8.825 -8.088 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.315 -8.670 -9.259 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.697 -8.208 -8.788 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -18.239 -8.844 -7.854 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.140 -7.171 -9.338 1.00 0.00 O ATOM 0 H GLU A 66 -13.503 -10.495 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.883 -8.505 -9.642 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.444 -9.814 -7.644 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.570 -8.098 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.916 -7.951 -9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.409 -9.622 -9.782 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.024 -7.284 -6.651 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.602 -6.028 -6.038 1.00 0.00 C ATOM 1155 C ALA A 67 -11.142 -5.674 -6.375 1.00 0.00 C ATOM 1156 O ALA A 67 -10.811 -4.491 -6.413 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.890 -6.030 -4.537 1.00 0.00 C ATOM 0 H ALA A 67 -13.081 -8.075 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.199 -5.227 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.567 -5.084 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.960 -6.158 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.349 -6.850 -4.064 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.295 -6.665 -6.709 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.001 -6.417 -7.358 1.00 0.00 C ATOM 1165 C ILE A 68 -9.227 -5.816 -8.748 1.00 0.00 C ATOM 1166 O ILE A 68 -8.721 -4.728 -9.014 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.106 -7.679 -7.401 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.713 -8.038 -5.953 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.834 -7.430 -8.240 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.898 -9.329 -5.793 1.00 0.00 C ATOM 0 H ILE A 68 -10.489 -7.651 -6.537 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.451 -5.694 -6.755 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.656 -8.497 -7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.138 -7.211 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.623 -8.127 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.224 -8.333 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.116 -7.168 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.262 -6.612 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.674 -9.490 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.474 -10.172 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.967 -9.243 -6.353 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.985 -6.482 -9.630 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.268 -5.954 -10.964 1.00 0.00 C ATOM 1184 C ALA A 69 -10.926 -4.567 -10.903 1.00 0.00 C ATOM 1185 O ALA A 69 -10.500 -3.683 -11.640 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.108 -6.954 -11.763 1.00 0.00 C ATOM 0 H ALA A 69 -10.412 -7.389 -9.439 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.320 -5.819 -11.485 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.311 -6.548 -12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.562 -7.892 -11.860 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.050 -7.134 -11.244 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.881 -4.347 -9.992 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.463 -3.043 -9.679 1.00 0.00 C ATOM 1194 C GLN A 70 -11.381 -2.045 -9.263 1.00 0.00 C ATOM 1195 O GLN A 70 -11.189 -1.083 -9.992 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.561 -3.149 -8.617 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.869 -3.792 -9.127 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.790 -4.199 -7.970 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.712 -3.674 -6.866 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.702 -5.144 -8.136 1.00 0.00 N ATOM 0 H GLN A 70 -12.282 -5.101 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.933 -2.669 -10.589 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.185 -3.733 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.783 -2.151 -8.238 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.390 -3.090 -9.777 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.633 -4.669 -9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.799 -5.606 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.308 -5.410 -7.360 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.629 -2.246 -8.170 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.635 -1.242 -7.740 1.00 0.00 C ATOM 1211 C VAL A 71 -8.519 -1.010 -8.776 1.00 0.00 C ATOM 1212 O VAL A 71 -7.964 0.083 -8.842 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.079 -1.545 -6.331 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.916 -2.545 -6.314 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.627 -0.247 -5.646 1.00 0.00 C ATOM 0 H VAL A 71 -10.685 -3.074 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.172 -0.296 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.903 -2.009 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.586 -2.701 -5.287 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.246 -3.494 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.089 -2.152 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.238 -0.476 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.847 0.226 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.476 0.431 -5.555 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.211 -2.006 -9.624 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.264 -1.873 -10.741 1.00 0.00 C ATOM 1227 C LYS A 72 -7.857 -1.186 -11.981 1.00 0.00 C ATOM 1228 O LYS A 72 -7.108 -0.516 -12.686 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.704 -3.254 -11.122 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.816 -3.887 -10.026 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.373 -4.107 -10.496 1.00 0.00 C ATOM 1232 CE LYS A 72 -3.619 -2.775 -10.599 1.00 0.00 C ATOM 1233 NZ LYS A 72 -2.683 -2.762 -11.746 1.00 0.00 N ATOM 0 H LYS A 72 -8.619 -2.938 -9.551 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.464 -1.223 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.534 -3.926 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.123 -3.160 -12.039 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.814 -3.243 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.245 -4.841 -9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.857 -4.768 -9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.375 -4.604 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.334 -1.959 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.066 -2.598 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.192 -1.846 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.985 -3.525 -11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.214 -2.906 -12.629 1.00 0.00 H new ATOM 1247 N THR A 73 -9.158 -1.349 -12.262 1.00 0.00 N ATOM 1248 CA THR A 73 -9.858 -0.689 -13.379 1.00 0.00 C ATOM 1249 C THR A 73 -10.544 0.625 -12.992 1.00 0.00 C ATOM 1250 O THR A 73 -10.984 1.349 -13.886 1.00 0.00 O ATOM 1251 CB THR A 73 -10.867 -1.634 -14.060 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.126 -1.139 -15.352 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.226 -1.759 -13.359 1.00 0.00 C ATOM 0 H THR A 73 -9.766 -1.954 -11.710 1.00 0.00 H new ATOM 0 HA THR A 73 -9.072 -0.435 -14.090 1.00 0.00 H new ATOM 0 HB THR A 73 -10.404 -2.620 -14.039 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.187 -0.161 -15.322 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.862 -2.446 -13.917 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.080 -2.140 -12.348 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.703 -0.780 -13.313 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.645 0.932 -11.694 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.133 2.192 -11.143 1.00 0.00 C ATOM 1263 C GLU A 74 -10.262 3.352 -11.654 1.00 0.00 C ATOM 1264 O GLU A 74 -9.051 3.357 -11.417 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.148 2.169 -9.597 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.549 1.889 -9.031 1.00 0.00 C ATOM 1267 CD GLU A 74 -12.590 2.018 -7.499 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -12.289 1.007 -6.820 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -12.942 3.119 -7.015 1.00 0.00 O ATOM 0 H GLU A 74 -10.374 0.271 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.161 2.335 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.456 1.406 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.790 3.126 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.263 2.584 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.862 0.885 -9.318 1.00 0.00 H new