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 100:sc= 0.407 USER MOD Set 1.2: A 65 SER OG : rot 66:sc= 1.47 USER MOD Single : A 7 THR OG1 : rot -160:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -14:sc= 0.667 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=-0.00345 USER MOD Single : A 58 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 63 SER OG : rot -100:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.014) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 3.257 0.095 7.177 1.00 0.00 N ATOM 71 CA LEU A 3 4.066 -1.119 7.444 1.00 0.00 C ATOM 72 C LEU A 3 3.884 -2.249 6.385 1.00 0.00 C ATOM 73 O LEU A 3 3.052 -2.159 5.484 1.00 0.00 O ATOM 74 CB LEU A 3 3.692 -1.695 8.833 1.00 0.00 C ATOM 75 CG LEU A 3 4.213 -1.014 10.110 1.00 0.00 C ATOM 76 CD1 LEU A 3 5.733 -0.843 10.090 1.00 0.00 C ATOM 77 CD2 LEU A 3 3.513 0.308 10.424 1.00 0.00 C ATOM 0 HA LEU A 3 5.107 -0.799 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.604 -1.713 8.895 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.029 -2.731 8.857 1.00 0.00 H new ATOM 0 HG LEU A 3 3.962 -1.695 10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.057 -0.358 11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.208 -1.821 10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.019 -0.228 9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.930 0.733 11.337 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.663 1.004 9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.446 0.131 10.560 1.00 0.00 H new ATOM 89 N ARG A 4 4.667 -3.338 6.529 1.00 0.00 N ATOM 90 CA ARG A 4 4.704 -4.564 5.700 1.00 0.00 C ATOM 91 C ARG A 4 3.448 -5.447 5.829 1.00 0.00 C ATOM 92 O ARG A 4 2.708 -5.339 6.809 1.00 0.00 O ATOM 93 CB ARG A 4 5.905 -5.443 6.122 1.00 0.00 C ATOM 94 CG ARG A 4 7.296 -4.789 6.200 1.00 0.00 C ATOM 95 CD ARG A 4 8.115 -4.910 4.905 1.00 0.00 C ATOM 96 NE ARG A 4 9.551 -4.647 5.139 1.00 0.00 N ATOM 97 CZ ARG A 4 10.427 -5.417 5.782 1.00 0.00 C ATOM 98 NH1 ARG A 4 10.093 -6.581 6.289 1.00 0.00 N ATOM 99 NH2 ARG A 4 11.671 -5.032 5.936 1.00 0.00 N ATOM 0 H ARG A 4 5.345 -3.388 7.289 1.00 0.00 H new ATOM 0 HA ARG A 4 4.776 -4.212 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.680 -5.865 7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.968 -6.277 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.177 -3.734 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.856 -5.245 7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.991 -5.910 4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.732 -4.207 4.165 1.00 0.00 H new ATOM 0 HE ARG A 4 9.914 -3.771 4.763 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.136 -6.922 6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.790 -7.144 6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 4 11.977 -4.134 5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 4 12.333 -5.631 6.430 1.00 0.00 H new ATOM 113 N ILE A 5 3.311 -6.442 4.929 1.00 0.00 N ATOM 114 CA ILE A 5 2.243 -7.469 4.947 1.00 0.00 C ATOM 115 C ILE A 5 2.018 -8.072 6.341 1.00 0.00 C ATOM 116 O ILE A 5 0.877 -8.125 6.791 1.00 0.00 O ATOM 117 CB ILE A 5 2.458 -8.556 3.857 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.134 -9.216 3.402 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.502 -9.640 4.186 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.350 -9.971 4.485 1.00 0.00 C ATOM 0 H ILE A 5 3.956 -6.559 4.148 1.00 0.00 H new ATOM 0 HA ILE A 5 1.318 -6.951 4.694 1.00 0.00 H new ATOM 0 HB ILE A 5 2.879 -7.983 3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.489 -8.441 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.357 -9.911 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.569 -10.344 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.474 -9.173 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.203 -10.171 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.558 -10.391 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.966 -10.776 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.084 -9.283 5.288 1.00 0.00 H new ATOM 132 N ARG A 6 3.088 -8.434 7.069 1.00 0.00 N ATOM 133 CA ARG A 6 3.016 -8.932 8.453 1.00 0.00 C ATOM 134 C ARG A 6 2.114 -8.076 9.354 1.00 0.00 C ATOM 135 O ARG A 6 1.379 -8.632 10.165 1.00 0.00 O ATOM 136 CB ARG A 6 4.431 -9.059 9.062 1.00 0.00 C ATOM 137 CG ARG A 6 5.052 -10.465 8.901 1.00 0.00 C ATOM 138 CD ARG A 6 5.690 -11.001 10.202 1.00 0.00 C ATOM 139 NE ARG A 6 7.145 -11.221 10.088 1.00 0.00 N ATOM 140 CZ ARG A 6 8.115 -10.320 10.182 1.00 0.00 C ATOM 141 NH1 ARG A 6 7.862 -9.044 10.363 1.00 0.00 N ATOM 142 NH2 ARG A 6 9.371 -10.691 10.099 1.00 0.00 N ATOM 0 H ARG A 6 4.041 -8.388 6.707 1.00 0.00 H new ATOM 0 HA ARG A 6 2.558 -9.920 8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.086 -8.326 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.384 -8.811 10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.281 -11.160 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.810 -10.433 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.498 -10.296 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.208 -11.939 10.476 1.00 0.00 H new ATOM 0 HE ARG A 6 7.441 -12.182 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.897 -8.721 10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.630 -8.376 10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.604 -11.674 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.114 -9.996 10.172 1.00 0.00 H new ATOM 156 N THR A 7 2.141 -6.747 9.200 1.00 0.00 N ATOM 157 CA THR A 7 1.314 -5.820 9.990 1.00 0.00 C ATOM 158 C THR A 7 -0.096 -5.645 9.398 1.00 0.00 C ATOM 159 O THR A 7 -1.057 -5.495 10.150 1.00 0.00 O ATOM 160 CB THR A 7 2.016 -4.465 10.141 1.00 0.00 C ATOM 161 OG1 THR A 7 3.336 -4.674 10.594 1.00 0.00 O ATOM 162 CG2 THR A 7 1.339 -3.566 11.176 1.00 0.00 C ATOM 0 H THR A 7 2.740 -6.279 8.520 1.00 0.00 H new ATOM 0 HA THR A 7 1.190 -6.262 10.979 1.00 0.00 H new ATOM 0 HB THR A 7 1.978 -3.983 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.681 -3.847 10.990 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.876 -2.620 11.243 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.308 -3.378 10.876 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.349 -4.059 12.148 1.00 0.00 H new ATOM 170 N ILE A 8 -0.251 -5.725 8.069 1.00 0.00 N ATOM 171 CA ILE A 8 -1.567 -5.731 7.400 1.00 0.00 C ATOM 172 C ILE A 8 -2.373 -6.973 7.796 1.00 0.00 C ATOM 173 O ILE A 8 -3.568 -6.886 8.082 1.00 0.00 O ATOM 174 CB ILE A 8 -1.429 -5.671 5.859 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.565 -4.461 5.448 1.00 0.00 C ATOM 176 CG2 ILE A 8 -2.824 -5.619 5.199 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.555 -4.180 3.944 1.00 0.00 C ATOM 0 H ILE A 8 0.535 -5.788 7.422 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.096 -4.837 7.730 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.928 -6.574 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.928 -3.575 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.459 -4.630 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.713 -5.577 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.389 -6.511 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.357 -4.733 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.075 -3.314 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.162 -5.048 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.571 -3.977 3.605 1.00 0.00 H new ATOM 189 N ALA A 9 -1.725 -8.140 7.809 1.00 0.00 N ATOM 190 CA ALA A 9 -2.343 -9.391 8.211 1.00 0.00 C ATOM 191 C ALA A 9 -2.746 -9.353 9.688 1.00 0.00 C ATOM 192 O ALA A 9 -3.901 -9.638 10.008 1.00 0.00 O ATOM 193 CB ALA A 9 -1.391 -10.544 7.894 1.00 0.00 C ATOM 0 H ALA A 9 -0.747 -8.237 7.537 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.264 -9.546 7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.849 -11.487 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.187 -10.564 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.457 -10.405 8.439 1.00 0.00 H new ATOM 199 N ARG A 10 -1.829 -8.904 10.563 1.00 0.00 N ATOM 200 CA ARG A 10 -2.017 -8.662 12.007 1.00 0.00 C ATOM 201 C ARG A 10 -3.271 -7.865 12.386 1.00 0.00 C ATOM 202 O ARG A 10 -3.706 -7.980 13.527 1.00 0.00 O ATOM 203 CB ARG A 10 -0.778 -7.931 12.551 1.00 0.00 C ATOM 204 CG ARG A 10 0.352 -8.849 13.032 1.00 0.00 C ATOM 205 CD ARG A 10 0.178 -9.215 14.512 1.00 0.00 C ATOM 206 NE ARG A 10 1.393 -9.844 15.064 1.00 0.00 N ATOM 207 CZ ARG A 10 2.522 -9.234 15.411 1.00 0.00 C ATOM 208 NH1 ARG A 10 2.689 -7.938 15.271 1.00 0.00 N ATOM 209 NH2 ARG A 10 3.520 -9.926 15.908 1.00 0.00 N ATOM 0 H ARG A 10 -0.878 -8.687 10.264 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.153 -9.647 12.454 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.388 -7.277 11.771 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.085 -7.292 13.379 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.368 -9.757 12.430 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.312 -8.354 12.888 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.059 -8.318 15.084 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.666 -9.895 14.622 1.00 0.00 H new ATOM 0 HE ARG A 10 1.364 -10.855 15.193 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.938 -7.366 14.885 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.570 -7.504 15.548 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.431 -10.935 16.029 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.385 -9.455 16.173 1.00 0.00 H new ATOM 223 N MET A 11 -3.888 -7.128 11.455 1.00 0.00 N ATOM 224 CA MET A 11 -5.217 -6.527 11.631 1.00 0.00 C ATOM 225 C MET A 11 -6.293 -7.538 12.061 1.00 0.00 C ATOM 226 O MET A 11 -7.280 -7.155 12.690 1.00 0.00 O ATOM 227 CB MET A 11 -5.688 -5.915 10.306 1.00 0.00 C ATOM 228 CG MET A 11 -4.917 -4.663 9.876 1.00 0.00 C ATOM 229 SD MET A 11 -5.913 -3.150 9.922 1.00 0.00 S ATOM 230 CE MET A 11 -4.693 -2.006 10.615 1.00 0.00 C ATOM 0 H MET A 11 -3.473 -6.929 10.545 1.00 0.00 H new ATOM 0 HA MET A 11 -5.103 -5.781 12.418 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.601 -6.667 9.522 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.745 -5.664 10.392 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.051 -4.538 10.526 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.538 -4.809 8.864 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.138 -1.016 10.714 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.377 -2.362 11.596 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.829 -1.951 9.953 1.00 0.00 H new ATOM 240 N THR A 12 -6.191 -8.803 11.634 1.00 0.00 N ATOM 241 CA THR A 12 -7.211 -9.837 11.912 1.00 0.00 C ATOM 242 C THR A 12 -6.691 -11.269 11.728 1.00 0.00 C ATOM 243 O THR A 12 -7.200 -12.193 12.350 1.00 0.00 O ATOM 244 CB THR A 12 -8.437 -9.633 10.990 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.962 -8.328 11.110 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.603 -10.582 11.279 1.00 0.00 C ATOM 0 H THR A 12 -5.401 -9.144 11.086 1.00 0.00 H new ATOM 0 HA THR A 12 -7.485 -9.719 12.960 1.00 0.00 H new ATOM 0 HB THR A 12 -8.045 -9.831 9.992 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.588 -7.897 11.906 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.421 -10.373 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.274 -11.613 11.150 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.945 -10.436 12.303 1.00 0.00 H new ATOM 254 N GLY A 13 -5.721 -11.489 10.836 1.00 0.00 N ATOM 255 CA GLY A 13 -5.201 -12.800 10.454 1.00 0.00 C ATOM 256 C GLY A 13 -6.095 -13.563 9.468 1.00 0.00 C ATOM 257 O GLY A 13 -5.582 -14.371 8.707 1.00 0.00 O ATOM 0 H GLY A 13 -5.259 -10.726 10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.214 -12.672 10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.071 -13.404 11.352 1.00 0.00 H new ATOM 261 N ILE A 14 -7.402 -13.275 9.395 1.00 0.00 N ATOM 262 CA ILE A 14 -8.317 -13.948 8.456 1.00 0.00 C ATOM 263 C ILE A 14 -7.904 -13.686 7.002 1.00 0.00 C ATOM 264 O ILE A 14 -7.743 -14.612 6.209 1.00 0.00 O ATOM 265 CB ILE A 14 -9.792 -13.588 8.775 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.741 -14.774 8.503 1.00 0.00 C ATOM 267 CG2 ILE A 14 -10.305 -12.278 8.142 1.00 0.00 C ATOM 268 CD1 ILE A 14 -11.114 -15.043 7.039 1.00 0.00 C ATOM 0 H ILE A 14 -7.855 -12.573 9.981 1.00 0.00 H new ATOM 0 HA ILE A 14 -8.241 -15.027 8.588 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.796 -13.383 9.846 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.281 -15.676 8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.661 -14.607 9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.345 -12.119 8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.701 -11.442 8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.232 -12.346 7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.784 -15.901 6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.612 -14.167 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.211 -15.252 6.466 1.00 0.00 H new ATOM 280 N ARG A 15 -7.636 -12.413 6.677 1.00 0.00 N ATOM 281 CA ARG A 15 -7.098 -12.005 5.384 1.00 0.00 C ATOM 282 C ARG A 15 -5.708 -12.579 5.105 1.00 0.00 C ATOM 283 O ARG A 15 -5.368 -12.665 3.939 1.00 0.00 O ATOM 284 CB ARG A 15 -7.130 -10.474 5.214 1.00 0.00 C ATOM 285 CG ARG A 15 -6.595 -9.659 6.405 1.00 0.00 C ATOM 286 CD ARG A 15 -6.209 -8.229 5.973 1.00 0.00 C ATOM 287 NE ARG A 15 -6.646 -7.204 6.936 1.00 0.00 N ATOM 288 CZ ARG A 15 -7.900 -6.809 7.147 1.00 0.00 C ATOM 289 NH1 ARG A 15 -8.904 -7.332 6.480 1.00 0.00 N ATOM 290 NH2 ARG A 15 -8.183 -5.886 8.032 1.00 0.00 N ATOM 0 H ARG A 15 -7.791 -11.634 7.316 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.757 -12.435 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.550 -10.213 4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.159 -10.170 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.352 -9.614 7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.726 -10.160 6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.127 -8.170 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.650 -8.017 4.999 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.920 -6.754 7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.731 -8.057 5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.856 -7.013 6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.436 -5.455 8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.151 -5.598 8.177 1.00 0.00 H new ATOM 304 N GLU A 16 -4.917 -13.010 6.095 1.00 0.00 N ATOM 305 CA GLU A 16 -3.530 -13.476 5.909 1.00 0.00 C ATOM 306 C GLU A 16 -3.406 -14.582 4.853 1.00 0.00 C ATOM 307 O GLU A 16 -2.590 -14.470 3.932 1.00 0.00 O ATOM 308 CB GLU A 16 -2.965 -13.923 7.267 1.00 0.00 C ATOM 309 CG GLU A 16 -1.429 -14.006 7.304 1.00 0.00 C ATOM 310 CD GLU A 16 -0.866 -15.431 7.375 1.00 0.00 C ATOM 311 OE1 GLU A 16 -1.506 -16.349 6.819 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.271 -15.561 7.886 1.00 0.00 O ATOM 0 H GLU A 16 -5.225 -13.047 7.067 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.941 -12.643 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.301 -13.227 8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.378 -14.900 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.031 -13.516 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.069 -13.444 8.166 1.00 0.00 H new ATOM 319 N ALA A 17 -4.307 -15.569 4.930 1.00 0.00 N ATOM 320 CA ALA A 17 -4.473 -16.652 3.965 1.00 0.00 C ATOM 321 C ALA A 17 -4.751 -16.150 2.536 1.00 0.00 C ATOM 322 O ALA A 17 -4.379 -16.802 1.564 1.00 0.00 O ATOM 323 CB ALA A 17 -5.631 -17.530 4.458 1.00 0.00 C ATOM 0 H ALA A 17 -4.968 -15.633 5.704 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.541 -17.214 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.786 -18.353 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.391 -17.930 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.540 -16.932 4.521 1.00 0.00 H new ATOM 329 N THR A 18 -5.386 -14.978 2.418 1.00 0.00 N ATOM 330 CA THR A 18 -5.706 -14.265 1.181 1.00 0.00 C ATOM 331 C THR A 18 -4.550 -13.352 0.731 1.00 0.00 C ATOM 332 O THR A 18 -4.219 -13.348 -0.446 1.00 0.00 O ATOM 333 CB THR A 18 -7.055 -13.530 1.370 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.027 -14.132 0.546 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.053 -12.047 1.033 1.00 0.00 C ATOM 0 H THR A 18 -5.711 -14.471 3.241 1.00 0.00 H new ATOM 0 HA THR A 18 -5.825 -14.971 0.359 1.00 0.00 H new ATOM 0 HB THR A 18 -7.265 -13.614 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.885 -13.672 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.048 -11.634 1.202 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.333 -11.531 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.777 -11.912 -0.013 1.00 0.00 H new ATOM 343 N LEU A 19 -3.898 -12.617 1.640 1.00 0.00 N ATOM 344 CA LEU A 19 -2.786 -11.701 1.363 1.00 0.00 C ATOM 345 C LEU A 19 -1.568 -12.469 0.825 1.00 0.00 C ATOM 346 O LEU A 19 -1.018 -12.129 -0.224 1.00 0.00 O ATOM 347 CB LEU A 19 -2.393 -10.955 2.652 1.00 0.00 C ATOM 348 CG LEU A 19 -3.473 -10.090 3.329 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.182 -9.906 4.830 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.706 -8.746 2.634 1.00 0.00 C ATOM 0 H LEU A 19 -4.142 -12.646 2.630 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.110 -10.985 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.050 -11.693 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.542 -10.313 2.423 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.407 -10.642 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.962 -9.291 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.161 -10.880 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.216 -9.416 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.479 -8.191 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.780 -8.170 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.025 -8.918 1.606 1.00 0.00 H new ATOM 362 N ARG A 20 -1.162 -13.534 1.532 1.00 0.00 N ATOM 363 CA ARG A 20 -0.082 -14.440 1.106 1.00 0.00 C ATOM 364 C ARG A 20 -0.464 -15.247 -0.134 1.00 0.00 C ATOM 365 O ARG A 20 0.414 -15.592 -0.918 1.00 0.00 O ATOM 366 CB ARG A 20 0.278 -15.401 2.243 1.00 0.00 C ATOM 367 CG ARG A 20 0.964 -14.687 3.418 1.00 0.00 C ATOM 368 CD ARG A 20 0.749 -15.430 4.739 1.00 0.00 C ATOM 369 NE ARG A 20 1.867 -16.287 5.172 1.00 0.00 N ATOM 370 CZ ARG A 20 2.219 -17.485 4.730 1.00 0.00 C ATOM 371 NH1 ARG A 20 1.579 -18.087 3.756 1.00 0.00 N ATOM 372 NH2 ARG A 20 3.236 -18.110 5.275 1.00 0.00 N ATOM 0 H ARG A 20 -1.578 -13.794 2.426 1.00 0.00 H new ATOM 0 HA ARG A 20 0.778 -13.819 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.627 -15.894 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.936 -16.181 1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.032 -14.603 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.575 -13.673 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.552 -14.696 5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.145 -16.047 4.648 1.00 0.00 H new ATOM 0 HE ARG A 20 2.451 -15.904 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.781 -17.632 3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.879 -19.010 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.754 -17.673 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.509 -19.033 4.936 1.00 0.00 H new ATOM 386 N ALA A 21 -1.759 -15.516 -0.340 1.00 0.00 N ATOM 387 CA ALA A 21 -2.255 -16.004 -1.623 1.00 0.00 C ATOM 388 C ALA A 21 -1.981 -14.962 -2.709 1.00 0.00 C ATOM 389 O ALA A 21 -1.241 -15.267 -3.637 1.00 0.00 O ATOM 390 CB ALA A 21 -3.735 -16.391 -1.542 1.00 0.00 C ATOM 0 H ALA A 21 -2.481 -15.402 0.371 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.720 -16.916 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.071 -16.750 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.865 -17.179 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.324 -15.520 -1.254 1.00 0.00 H new ATOM 396 N TRP A 22 -2.522 -13.739 -2.585 1.00 0.00 N ATOM 397 CA TRP A 22 -2.319 -12.640 -3.530 1.00 0.00 C ATOM 398 C TRP A 22 -0.859 -12.460 -3.908 1.00 0.00 C ATOM 399 O TRP A 22 -0.596 -12.324 -5.095 1.00 0.00 O ATOM 400 CB TRP A 22 -2.901 -11.325 -3.013 1.00 0.00 C ATOM 401 CG TRP A 22 -4.375 -11.292 -2.771 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.305 -12.123 -3.296 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.101 -10.388 -1.894 1.00 0.00 C ATOM 404 NE1 TRP A 22 -6.553 -11.754 -2.845 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.492 -10.648 -2.033 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.723 -9.382 -0.984 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.466 -9.927 -1.334 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.693 -8.649 -0.277 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.061 -8.911 -0.450 1.00 0.00 C ATOM 0 H TRP A 22 -3.127 -13.486 -1.804 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.862 -12.920 -4.433 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.397 -11.074 -2.080 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.656 -10.540 -3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.101 -12.947 -3.964 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.416 -12.242 -3.085 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.676 -9.171 -0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.514 -10.148 -1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.381 -7.874 0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.797 -8.336 0.092 1.00 0.00 H new ATOM 420 N GLU A 23 0.074 -12.563 -2.957 1.00 0.00 N ATOM 421 CA GLU A 23 1.522 -12.561 -3.198 1.00 0.00 C ATOM 422 C GLU A 23 1.952 -13.452 -4.379 1.00 0.00 C ATOM 423 O GLU A 23 2.718 -12.995 -5.227 1.00 0.00 O ATOM 424 CB GLU A 23 2.237 -12.952 -1.892 1.00 0.00 C ATOM 425 CG GLU A 23 3.645 -12.359 -1.761 1.00 0.00 C ATOM 426 CD GLU A 23 4.759 -13.254 -2.325 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.925 -14.371 -1.788 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.457 -12.794 -3.258 1.00 0.00 O ATOM 0 H GLU A 23 -0.163 -12.653 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 23 1.815 -11.554 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.634 -12.624 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.303 -14.039 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.672 -11.398 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.849 -12.164 -0.708 1.00 0.00 H new ATOM 435 N ARG A 24 1.404 -14.676 -4.476 1.00 0.00 N ATOM 436 CA ARG A 24 1.652 -15.634 -5.568 1.00 0.00 C ATOM 437 C ARG A 24 0.535 -15.673 -6.631 1.00 0.00 C ATOM 438 O ARG A 24 0.740 -16.237 -7.702 1.00 0.00 O ATOM 439 CB ARG A 24 1.896 -17.026 -4.953 1.00 0.00 C ATOM 440 CG ARG A 24 2.841 -17.881 -5.815 1.00 0.00 C ATOM 441 CD ARG A 24 3.138 -19.246 -5.179 1.00 0.00 C ATOM 442 NE ARG A 24 3.990 -19.124 -3.979 1.00 0.00 N ATOM 443 CZ ARG A 24 4.216 -20.055 -3.060 1.00 0.00 C ATOM 444 NH1 ARG A 24 3.634 -21.232 -3.107 1.00 0.00 N ATOM 445 NH2 ARG A 24 5.044 -19.816 -2.069 1.00 0.00 N ATOM 0 H ARG A 24 0.757 -15.037 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 24 2.536 -15.299 -6.111 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.320 -16.912 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.943 -17.543 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.396 -18.031 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.777 -17.343 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.200 -19.732 -4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.631 -19.887 -5.910 1.00 0.00 H new ATOM 0 HE ARG A 24 4.455 -18.227 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.988 -21.451 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.829 -21.926 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.515 -18.914 -2.004 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.216 -20.533 -1.364 1.00 0.00 H new ATOM 459 N ARG A 25 -0.637 -15.091 -6.346 1.00 0.00 N ATOM 460 CA ARG A 25 -1.864 -15.161 -7.159 1.00 0.00 C ATOM 461 C ARG A 25 -2.056 -13.943 -8.081 1.00 0.00 C ATOM 462 O ARG A 25 -2.544 -14.120 -9.192 1.00 0.00 O ATOM 463 CB ARG A 25 -3.054 -15.373 -6.201 1.00 0.00 C ATOM 464 CG ARG A 25 -4.276 -16.062 -6.808 1.00 0.00 C ATOM 465 CD ARG A 25 -5.350 -16.282 -5.718 1.00 0.00 C ATOM 466 NE ARG A 25 -5.316 -17.656 -5.181 1.00 0.00 N ATOM 467 CZ ARG A 25 -5.759 -18.741 -5.806 1.00 0.00 C ATOM 468 NH1 ARG A 25 -6.374 -18.662 -6.964 1.00 0.00 N ATOM 469 NH2 ARG A 25 -5.579 -19.931 -5.283 1.00 0.00 N ATOM 0 H ARG A 25 -0.764 -14.531 -5.503 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.788 -16.002 -7.848 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.712 -15.963 -5.350 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.362 -14.402 -5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.684 -15.454 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.986 -17.018 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.194 -15.571 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.337 -16.079 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.918 -17.783 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.520 -17.753 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.705 -19.510 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.096 -20.028 -4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.922 -20.759 -5.770 1.00 0.00 H new ATOM 483 N TYR A 26 -1.664 -12.736 -7.641 1.00 0.00 N ATOM 484 CA TYR A 26 -1.767 -11.464 -8.389 1.00 0.00 C ATOM 485 C TYR A 26 -0.655 -10.469 -8.019 1.00 0.00 C ATOM 486 O TYR A 26 0.036 -9.944 -8.886 1.00 0.00 O ATOM 487 CB TYR A 26 -3.123 -10.766 -8.136 1.00 0.00 C ATOM 488 CG TYR A 26 -4.323 -11.677 -8.161 1.00 0.00 C ATOM 489 CD1 TYR A 26 -4.905 -12.053 -9.385 1.00 0.00 C ATOM 490 CD2 TYR A 26 -4.795 -12.214 -6.953 1.00 0.00 C ATOM 491 CE1 TYR A 26 -5.964 -12.977 -9.401 1.00 0.00 C ATOM 492 CE2 TYR A 26 -5.839 -13.149 -6.971 1.00 0.00 C ATOM 493 CZ TYR A 26 -6.438 -13.522 -8.192 1.00 0.00 C ATOM 494 OH TYR A 26 -7.456 -14.422 -8.219 1.00 0.00 O ATOM 0 H TYR A 26 -1.249 -12.611 -6.718 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.670 -11.740 -9.439 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.083 -10.269 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.260 -9.989 -8.888 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.539 -11.633 -10.310 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.356 -11.908 -6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.413 -13.269 -10.339 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.186 -13.586 -6.046 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.093 -15.329 -8.136 1.00 0.00 H new ATOM 504 N GLY A 27 -0.542 -10.181 -6.720 1.00 0.00 N ATOM 505 CA GLY A 27 0.419 -9.302 -6.062 1.00 0.00 C ATOM 506 C GLY A 27 -0.232 -8.259 -5.147 1.00 0.00 C ATOM 507 O GLY A 27 0.470 -7.717 -4.297 1.00 0.00 O ATOM 0 H GLY A 27 -1.181 -10.597 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.110 -9.907 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.009 -8.789 -6.821 1.00 0.00 H new ATOM 511 N PHE A 28 -1.546 -8.009 -5.314 1.00 0.00 N ATOM 512 CA PHE A 28 -2.323 -6.953 -4.652 1.00 0.00 C ATOM 513 C PHE A 28 -2.110 -6.905 -3.119 1.00 0.00 C ATOM 514 O PHE A 28 -2.001 -7.952 -2.476 1.00 0.00 O ATOM 515 CB PHE A 28 -3.822 -7.099 -4.997 1.00 0.00 C ATOM 516 CG PHE A 28 -4.810 -6.236 -4.204 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.083 -6.569 -2.867 1.00 0.00 C ATOM 518 CD2 PHE A 28 -5.506 -5.153 -4.783 1.00 0.00 C ATOM 519 CE1 PHE A 28 -5.948 -5.799 -2.080 1.00 0.00 C ATOM 520 CE2 PHE A 28 -6.416 -4.409 -4.000 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.609 -4.709 -2.648 1.00 0.00 C ATOM 0 H PHE A 28 -2.118 -8.568 -5.946 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.954 -6.002 -5.036 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.949 -6.872 -6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.100 -8.144 -4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.614 -7.441 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.344 -4.895 -5.819 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.103 -6.047 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.969 -3.599 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.267 -4.100 -2.046 1.00 0.00 H new ATOM 531 N PRO A 29 -2.175 -5.701 -2.516 1.00 0.00 N ATOM 532 CA PRO A 29 -2.265 -4.404 -3.192 1.00 0.00 C ATOM 533 C PRO A 29 -0.912 -4.072 -3.845 1.00 0.00 C ATOM 534 O PRO A 29 -0.005 -4.893 -3.812 1.00 0.00 O ATOM 535 CB PRO A 29 -2.719 -3.444 -2.099 1.00 0.00 C ATOM 536 CG PRO A 29 -2.007 -4.002 -0.869 1.00 0.00 C ATOM 537 CD PRO A 29 -2.081 -5.513 -1.079 1.00 0.00 C ATOM 0 HA PRO A 29 -2.972 -4.361 -4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.423 -2.416 -2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.802 -3.446 -1.979 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.976 -3.654 -0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.501 -3.699 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.198 -6.009 -0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.946 -5.938 -0.570 1.00 0.00 H new ATOM 545 N ARG A 30 -0.769 -2.933 -4.526 1.00 0.00 N ATOM 546 CA ARG A 30 0.485 -2.578 -5.213 1.00 0.00 C ATOM 547 C ARG A 30 1.641 -2.426 -4.195 1.00 0.00 C ATOM 548 O ARG A 30 1.579 -1.510 -3.382 1.00 0.00 O ATOM 549 CB ARG A 30 0.252 -1.326 -6.084 1.00 0.00 C ATOM 550 CG ARG A 30 -0.154 -0.062 -5.299 1.00 0.00 C ATOM 551 CD ARG A 30 -0.740 1.040 -6.191 1.00 0.00 C ATOM 552 NE ARG A 30 -0.115 2.345 -5.911 1.00 0.00 N ATOM 553 CZ ARG A 30 1.093 2.726 -6.308 1.00 0.00 C ATOM 554 NH1 ARG A 30 1.884 1.921 -6.988 1.00 0.00 N ATOM 555 NH2 ARG A 30 1.530 3.928 -6.027 1.00 0.00 N ATOM 0 H ARG A 30 -1.507 -2.235 -4.619 1.00 0.00 H new ATOM 0 HA ARG A 30 0.791 -3.380 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.164 -1.113 -6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.525 -1.548 -6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.887 -0.334 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.718 0.329 -4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.591 0.780 -7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.816 1.108 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.658 3.014 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.573 0.978 -7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.808 2.241 -7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.942 4.575 -5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.459 4.218 -6.334 1.00 0.00 H new ATOM 569 N PRO A 31 2.669 -3.302 -4.157 1.00 0.00 N ATOM 570 CA PRO A 31 3.780 -3.095 -3.238 1.00 0.00 C ATOM 571 C PRO A 31 4.670 -1.950 -3.728 1.00 0.00 C ATOM 572 O PRO A 31 4.828 -1.742 -4.933 1.00 0.00 O ATOM 573 CB PRO A 31 4.517 -4.427 -3.162 1.00 0.00 C ATOM 574 CG PRO A 31 4.195 -5.129 -4.482 1.00 0.00 C ATOM 575 CD PRO A 31 2.910 -4.471 -4.996 1.00 0.00 C ATOM 0 HA PRO A 31 3.446 -2.799 -2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.590 -4.279 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.181 -5.016 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.009 -5.011 -5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.055 -6.200 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.016 -4.181 -6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.072 -5.165 -4.941 1.00 0.00 H new ATOM 583 N LEU A 32 5.247 -1.196 -2.788 1.00 0.00 N ATOM 584 CA LEU A 32 6.096 -0.052 -3.131 1.00 0.00 C ATOM 585 C LEU A 32 7.441 -0.554 -3.689 1.00 0.00 C ATOM 586 O LEU A 32 7.908 -1.640 -3.337 1.00 0.00 O ATOM 587 CB LEU A 32 6.294 0.920 -1.944 1.00 0.00 C ATOM 588 CG LEU A 32 5.127 1.068 -0.944 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.410 2.216 0.030 1.00 0.00 C ATOM 590 CD2 LEU A 32 3.783 1.312 -1.629 1.00 0.00 C ATOM 0 H LEU A 32 5.142 -1.357 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 32 5.587 0.525 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.175 0.598 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.517 1.907 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 32 5.056 0.121 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.581 2.311 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.328 2.008 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.523 3.146 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.002 1.408 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.835 2.229 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.552 0.474 -2.286 1.00 0.00 H new ATOM 732 N VAL A 41 6.539 -4.074 1.094 1.00 0.00 N ATOM 733 CA VAL A 41 6.243 -2.743 1.613 1.00 0.00 C ATOM 734 C VAL A 41 4.935 -2.244 1.012 1.00 0.00 C ATOM 735 O VAL A 41 4.679 -2.432 -0.178 1.00 0.00 O ATOM 736 CB VAL A 41 7.385 -1.763 1.284 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.588 -2.041 2.193 1.00 0.00 C ATOM 738 CG2 VAL A 41 7.838 -1.834 -0.178 1.00 0.00 C ATOM 0 HA VAL A 41 6.147 -2.801 2.697 1.00 0.00 H new ATOM 0 HB VAL A 41 6.992 -0.761 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.392 -1.345 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.294 -1.914 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.934 -3.063 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.644 -1.119 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.193 -2.840 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.999 -1.593 -0.831 1.00 0.00 H new ATOM 748 N TYR A 42 4.132 -1.581 1.841 1.00 0.00 N ATOM 749 CA TYR A 42 2.826 -1.051 1.474 1.00 0.00 C ATOM 750 C TYR A 42 2.579 0.311 2.139 1.00 0.00 C ATOM 751 O TYR A 42 3.333 0.732 3.017 1.00 0.00 O ATOM 752 CB TYR A 42 1.753 -2.068 1.890 1.00 0.00 C ATOM 753 CG TYR A 42 1.778 -3.387 1.135 1.00 0.00 C ATOM 754 CD1 TYR A 42 1.594 -3.390 -0.260 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.935 -4.609 1.819 1.00 0.00 C ATOM 756 CE1 TYR A 42 1.555 -4.606 -0.964 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.838 -5.828 1.117 1.00 0.00 C ATOM 758 CZ TYR A 42 1.646 -5.832 -0.280 1.00 0.00 C ATOM 759 OH TYR A 42 1.534 -7.011 -0.954 1.00 0.00 O ATOM 0 H TYR A 42 4.381 -1.394 2.812 1.00 0.00 H new ATOM 0 HA TYR A 42 2.784 -0.894 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.866 -2.276 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.772 -1.611 1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.483 -2.456 -0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.130 -4.612 2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.454 -4.599 -2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.911 -6.763 1.652 1.00 0.00 H new ATOM 0 HH TYR A 42 1.622 -7.757 -0.325 1.00 0.00 H new ATOM 769 N SER A 43 1.501 0.973 1.717 1.00 0.00 N ATOM 770 CA SER A 43 1.029 2.291 2.128 1.00 0.00 C ATOM 771 C SER A 43 -0.429 2.249 2.623 1.00 0.00 C ATOM 772 O SER A 43 -1.148 1.255 2.487 1.00 0.00 O ATOM 773 CB SER A 43 1.196 3.256 0.948 1.00 0.00 C ATOM 774 OG SER A 43 0.958 4.596 1.340 1.00 0.00 O ATOM 0 H SER A 43 0.883 0.562 1.017 1.00 0.00 H new ATOM 0 HA SER A 43 1.624 2.640 2.972 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.204 3.167 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.506 2.981 0.150 1.00 0.00 H new ATOM 0 HG SER A 43 1.073 5.188 0.568 1.00 0.00 H new ATOM 780 N ARG A 44 -0.883 3.353 3.219 1.00 0.00 N ATOM 781 CA ARG A 44 -2.179 3.486 3.898 1.00 0.00 C ATOM 782 C ARG A 44 -3.330 3.419 2.890 1.00 0.00 C ATOM 783 O ARG A 44 -4.357 2.808 3.173 1.00 0.00 O ATOM 784 CB ARG A 44 -2.165 4.781 4.741 1.00 0.00 C ATOM 785 CG ARG A 44 -2.023 4.518 6.255 1.00 0.00 C ATOM 786 CD ARG A 44 -3.357 4.236 6.951 1.00 0.00 C ATOM 787 NE ARG A 44 -4.195 5.448 6.990 1.00 0.00 N ATOM 788 CZ ARG A 44 -5.313 5.636 7.676 1.00 0.00 C ATOM 789 NH1 ARG A 44 -5.819 4.699 8.445 1.00 0.00 N ATOM 790 NH2 ARG A 44 -5.942 6.785 7.602 1.00 0.00 N ATOM 0 H ARG A 44 -0.338 4.215 3.244 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.345 2.652 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.342 5.414 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.086 5.335 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.356 3.670 6.408 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.553 5.382 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.885 3.440 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.175 3.882 7.966 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.877 6.234 6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.350 3.797 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.681 4.873 8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.570 7.533 7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.803 6.930 8.130 1.00 0.00 H new ATOM 804 N GLU A 45 -3.097 3.961 1.691 1.00 0.00 N ATOM 805 CA GLU A 45 -3.930 3.817 0.489 1.00 0.00 C ATOM 806 C GLU A 45 -4.140 2.344 0.079 1.00 0.00 C ATOM 807 O GLU A 45 -5.240 1.946 -0.301 1.00 0.00 O ATOM 808 CB GLU A 45 -3.308 4.637 -0.670 1.00 0.00 C ATOM 809 CG GLU A 45 -1.820 4.323 -0.940 1.00 0.00 C ATOM 810 CD GLU A 45 -1.262 4.910 -2.246 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.645 4.425 -3.340 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.404 5.816 -2.119 1.00 0.00 O ATOM 0 H GLU A 45 -2.278 4.544 1.522 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.921 4.207 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.878 4.449 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.409 5.699 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.227 4.700 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.690 3.241 -0.960 1.00 0.00 H new ATOM 819 N GLU A 46 -3.102 1.511 0.197 1.00 0.00 N ATOM 820 CA GLU A 46 -3.153 0.095 -0.153 1.00 0.00 C ATOM 821 C GLU A 46 -3.852 -0.716 0.941 1.00 0.00 C ATOM 822 O GLU A 46 -4.694 -1.556 0.628 1.00 0.00 O ATOM 823 CB GLU A 46 -1.727 -0.413 -0.378 1.00 0.00 C ATOM 824 CG GLU A 46 -1.135 0.013 -1.735 1.00 0.00 C ATOM 825 CD GLU A 46 0.216 0.704 -1.578 1.00 0.00 C ATOM 826 OE1 GLU A 46 1.014 0.175 -0.775 1.00 0.00 O ATOM 827 OE2 GLU A 46 0.431 1.758 -2.211 1.00 0.00 O ATOM 0 H GLU A 46 -2.190 1.809 0.544 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.731 -0.028 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.086 -0.043 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.722 -1.501 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.022 -0.864 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.830 0.685 -2.238 1.00 0.00 H new ATOM 834 N VAL A 47 -3.555 -0.440 2.218 1.00 0.00 N ATOM 835 CA VAL A 47 -4.290 -1.009 3.360 1.00 0.00 C ATOM 836 C VAL A 47 -5.788 -0.692 3.282 1.00 0.00 C ATOM 837 O VAL A 47 -6.596 -1.583 3.527 1.00 0.00 O ATOM 838 CB VAL A 47 -3.671 -0.549 4.695 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.580 -0.794 5.910 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.371 -1.320 4.943 1.00 0.00 C ATOM 0 H VAL A 47 -2.797 0.185 2.491 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.197 -2.094 3.312 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.510 0.525 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.080 -0.446 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.515 -0.250 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.790 -1.860 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.931 -0.997 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.584 -2.388 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.671 -1.125 4.130 1.00 0.00 H new ATOM 850 N GLU A 48 -6.177 0.533 2.906 1.00 0.00 N ATOM 851 CA GLU A 48 -7.577 0.894 2.636 1.00 0.00 C ATOM 852 C GLU A 48 -8.194 -0.010 1.552 1.00 0.00 C ATOM 853 O GLU A 48 -9.257 -0.602 1.769 1.00 0.00 O ATOM 854 CB GLU A 48 -7.635 2.374 2.228 1.00 0.00 C ATOM 855 CG GLU A 48 -9.060 2.917 2.051 1.00 0.00 C ATOM 856 CD GLU A 48 -9.601 3.486 3.366 1.00 0.00 C ATOM 857 OE1 GLU A 48 -10.133 2.681 4.164 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.456 4.713 3.566 1.00 0.00 O ATOM 0 H GLU A 48 -5.526 1.308 2.779 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.168 0.743 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.122 2.969 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.089 2.505 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.064 3.694 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.715 2.120 1.699 1.00 0.00 H new ATOM 865 N ALA A 49 -7.512 -0.165 0.406 1.00 0.00 N ATOM 866 CA ALA A 49 -7.949 -1.072 -0.653 1.00 0.00 C ATOM 867 C ALA A 49 -8.119 -2.504 -0.120 1.00 0.00 C ATOM 868 O ALA A 49 -9.181 -3.095 -0.309 1.00 0.00 O ATOM 869 CB ALA A 49 -6.986 -0.998 -1.846 1.00 0.00 C ATOM 0 H ALA A 49 -6.648 0.334 0.194 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.930 -0.756 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.323 -1.678 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.966 0.020 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.985 -1.283 -1.523 1.00 0.00 H new ATOM 875 N VAL A 50 -7.123 -3.047 0.598 1.00 0.00 N ATOM 876 CA VAL A 50 -7.216 -4.354 1.280 1.00 0.00 C ATOM 877 C VAL A 50 -8.443 -4.405 2.183 1.00 0.00 C ATOM 878 O VAL A 50 -9.185 -5.379 2.124 1.00 0.00 O ATOM 879 CB VAL A 50 -5.960 -4.668 2.121 1.00 0.00 C ATOM 880 CG1 VAL A 50 -6.070 -5.991 2.902 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.694 -4.761 1.265 1.00 0.00 C ATOM 0 H VAL A 50 -6.220 -2.589 0.724 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.299 -5.106 0.496 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.892 -3.832 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.156 -6.154 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.919 -5.942 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.213 -6.815 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.839 -4.983 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.812 -5.554 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.529 -3.812 0.755 1.00 0.00 H new ATOM 891 N ARG A 51 -8.661 -3.388 3.024 1.00 0.00 N ATOM 892 CA ARG A 51 -9.768 -3.330 3.981 1.00 0.00 C ATOM 893 C ARG A 51 -11.127 -3.444 3.293 1.00 0.00 C ATOM 894 O ARG A 51 -11.992 -4.145 3.820 1.00 0.00 O ATOM 895 CB ARG A 51 -9.639 -2.049 4.819 1.00 0.00 C ATOM 896 CG ARG A 51 -10.446 -2.078 6.123 1.00 0.00 C ATOM 897 CD ARG A 51 -11.847 -1.465 6.003 1.00 0.00 C ATOM 898 NE ARG A 51 -12.421 -1.224 7.341 1.00 0.00 N ATOM 899 CZ ARG A 51 -12.902 -2.125 8.189 1.00 0.00 C ATOM 900 NH1 ARG A 51 -13.055 -3.384 7.850 1.00 0.00 N ATOM 901 NH2 ARG A 51 -13.230 -1.769 9.410 1.00 0.00 N ATOM 0 H ARG A 51 -8.059 -2.565 3.058 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.708 -4.190 4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.588 -1.886 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.966 -1.199 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.540 -3.111 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.891 -1.543 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.794 -0.528 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.496 -2.134 5.437 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.452 -0.252 7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.802 -3.694 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.427 -4.052 8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.115 -0.800 9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.600 -2.462 10.061 1.00 0.00 H new ATOM 915 N ARG A 52 -11.296 -2.821 2.116 1.00 0.00 N ATOM 916 CA ARG A 52 -12.423 -3.099 1.216 1.00 0.00 C ATOM 917 C ARG A 52 -12.381 -4.525 0.685 1.00 0.00 C ATOM 918 O ARG A 52 -13.291 -5.286 0.997 1.00 0.00 O ATOM 919 CB ARG A 52 -12.495 -2.109 0.046 1.00 0.00 C ATOM 920 CG ARG A 52 -13.265 -0.846 0.437 1.00 0.00 C ATOM 921 CD ARG A 52 -13.712 -0.108 -0.826 1.00 0.00 C ATOM 922 NE ARG A 52 -14.450 1.116 -0.484 1.00 0.00 N ATOM 923 CZ ARG A 52 -14.877 2.042 -1.333 1.00 0.00 C ATOM 924 NH1 ARG A 52 -14.700 1.930 -2.631 1.00 0.00 N ATOM 925 NH2 ARG A 52 -15.495 3.106 -0.880 1.00 0.00 N ATOM 0 H ARG A 52 -10.655 -2.111 1.763 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.324 -2.976 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.487 -1.840 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.980 -2.584 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.132 -1.109 1.043 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.635 -0.197 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.842 0.144 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.342 -0.761 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.654 1.269 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.222 1.113 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.040 2.660 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.646 3.220 0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.825 3.820 -1.530 1.00 0.00 H new ATOM 939 N VAL A 53 -11.361 -4.872 -0.108 1.00 0.00 N ATOM 940 CA VAL A 53 -11.247 -6.164 -0.796 1.00 0.00 C ATOM 941 C VAL A 53 -11.492 -7.321 0.179 1.00 0.00 C ATOM 942 O VAL A 53 -12.454 -8.054 -0.001 1.00 0.00 O ATOM 943 CB VAL A 53 -9.920 -6.262 -1.584 1.00 0.00 C ATOM 944 CG1 VAL A 53 -9.730 -7.654 -2.182 1.00 0.00 C ATOM 945 CG2 VAL A 53 -9.884 -5.239 -2.732 1.00 0.00 C ATOM 0 H VAL A 53 -10.575 -4.249 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.032 -6.242 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.119 -6.055 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.788 -7.689 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.713 -8.394 -1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.553 -7.873 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.940 -5.329 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.711 -5.430 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.975 -4.232 -2.325 1.00 0.00 H new ATOM 955 N ALA A 54 -10.715 -7.452 1.258 1.00 0.00 N ATOM 956 CA ALA A 54 -10.872 -8.477 2.292 1.00 0.00 C ATOM 957 C ALA A 54 -12.290 -8.550 2.898 1.00 0.00 C ATOM 958 O ALA A 54 -12.799 -9.649 3.125 1.00 0.00 O ATOM 959 CB ALA A 54 -9.831 -8.221 3.384 1.00 0.00 C ATOM 0 H ALA A 54 -9.932 -6.825 1.441 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.717 -9.447 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.931 -8.974 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.831 -8.275 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.989 -7.231 3.812 1.00 0.00 H new ATOM 965 N ARG A 55 -12.949 -7.406 3.145 1.00 0.00 N ATOM 966 CA ARG A 55 -14.353 -7.381 3.585 1.00 0.00 C ATOM 967 C ARG A 55 -15.297 -7.874 2.483 1.00 0.00 C ATOM 968 O ARG A 55 -16.221 -8.624 2.769 1.00 0.00 O ATOM 969 CB ARG A 55 -14.740 -5.964 4.031 1.00 0.00 C ATOM 970 CG ARG A 55 -16.081 -5.934 4.789 1.00 0.00 C ATOM 971 CD ARG A 55 -16.923 -4.708 4.419 1.00 0.00 C ATOM 972 NE ARG A 55 -17.700 -4.906 3.175 1.00 0.00 N ATOM 973 CZ ARG A 55 -18.253 -3.954 2.431 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.053 -2.679 2.674 1.00 0.00 N ATOM 975 NH2 ARG A 55 -19.036 -4.256 1.430 1.00 0.00 N ATOM 0 H ARG A 55 -12.529 -6.482 3.047 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.453 -8.061 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.955 -5.560 4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.805 -5.316 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.644 -6.841 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.891 -5.933 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.606 -4.480 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.268 -3.844 4.301 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.823 -5.868 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.458 -2.395 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.492 -1.972 2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.230 -5.233 1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.454 -3.515 0.867 1.00 0.00 H new ATOM 989 N LEU A 56 -15.047 -7.487 1.231 1.00 0.00 N ATOM 990 CA LEU A 56 -15.747 -7.975 0.045 1.00 0.00 C ATOM 991 C LEU A 56 -15.562 -9.501 -0.144 1.00 0.00 C ATOM 992 O LEU A 56 -16.508 -10.200 -0.506 1.00 0.00 O ATOM 993 CB LEU A 56 -15.250 -7.183 -1.188 1.00 0.00 C ATOM 994 CG LEU A 56 -16.281 -6.396 -2.020 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.634 -7.095 -2.175 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.491 -4.990 -1.451 1.00 0.00 C ATOM 0 H LEU A 56 -14.326 -6.801 1.009 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.818 -7.813 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.492 -6.478 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.753 -7.887 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.847 -6.335 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.299 -6.472 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.493 -8.056 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.075 -7.255 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.223 -4.458 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.853 -5.063 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.546 -4.447 -1.464 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.371 -10.046 0.152 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.118 -11.499 0.214 1.00 0.00 C ATOM 1010 C ILE A 57 -15.029 -12.172 1.240 1.00 0.00 C ATOM 1011 O ILE A 57 -15.539 -13.252 0.962 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.627 -11.836 0.493 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -11.795 -11.847 -0.798 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.412 -13.206 1.175 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.444 -10.462 -1.307 1.00 0.00 C ATOM 0 H ILE A 57 -13.545 -9.485 0.358 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.352 -11.898 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.301 -11.045 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.875 -12.404 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.348 -12.380 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.346 -13.369 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.931 -13.221 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.807 -13.996 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.856 -10.548 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.359 -9.908 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.864 -9.933 -0.551 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.269 -11.543 2.396 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.207 -12.069 3.390 1.00 0.00 C ATOM 1029 C GLN A 58 -17.642 -12.235 2.845 1.00 0.00 C ATOM 1030 O GLN A 58 -18.411 -12.996 3.423 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.189 -11.194 4.665 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.660 -11.893 5.929 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.309 -13.244 6.217 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -17.452 -13.341 6.628 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.583 -14.334 6.050 1.00 0.00 N ATOM 0 H GLN A 58 -14.824 -10.666 2.665 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.867 -13.073 3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.577 -10.312 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.202 -10.843 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.584 -12.034 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.817 -11.237 6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.625 -14.261 5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.980 -15.249 6.265 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.006 -11.572 1.735 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.332 -11.696 1.113 1.00 0.00 C ATOM 1046 C GLU A 59 -19.432 -12.902 0.162 1.00 0.00 C ATOM 1047 O GLU A 59 -20.454 -13.582 0.157 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.727 -10.388 0.397 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.456 -9.166 1.294 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.145 -7.868 0.868 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -21.320 -7.913 0.444 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -19.489 -6.810 1.029 1.00 0.00 O ATOM 0 H GLU A 59 -17.384 -10.931 1.242 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.043 -11.878 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.165 -10.294 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.783 -10.420 0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.770 -9.407 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.380 -8.992 1.325 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.375 -13.197 -0.614 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.307 -14.396 -1.473 1.00 0.00 C ATOM 1061 C GLU A 60 -16.903 -14.993 -1.652 1.00 0.00 C ATOM 1062 O GLU A 60 -16.761 -16.210 -1.743 1.00 0.00 O ATOM 1063 CB GLU A 60 -18.876 -14.102 -2.880 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.264 -14.717 -3.117 1.00 0.00 C ATOM 1065 CD GLU A 60 -20.436 -15.107 -4.589 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -19.914 -16.183 -4.960 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.055 -14.316 -5.336 1.00 0.00 O ATOM 0 H GLU A 60 -17.542 -12.611 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.907 -15.133 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -18.936 -13.023 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.184 -14.484 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.391 -15.596 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.037 -14.004 -2.831 1.00 0.00 H new ATOM 1074 N GLY A 61 -15.869 -14.156 -1.773 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.485 -14.583 -1.998 1.00 0.00 C ATOM 1076 C GLY A 61 -14.009 -14.383 -3.437 1.00 0.00 C ATOM 1077 O GLY A 61 -12.836 -14.088 -3.644 1.00 0.00 O ATOM 0 H GLY A 61 -15.972 -13.143 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.829 -14.029 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.392 -15.637 -1.736 1.00 0.00 H new ATOM 1081 N LEU A 62 -14.919 -14.426 -4.420 1.00 0.00 N ATOM 1082 CA LEU A 62 -14.681 -14.026 -5.818 1.00 0.00 C ATOM 1083 C LEU A 62 -14.018 -12.644 -5.911 1.00 0.00 C ATOM 1084 O LEU A 62 -13.100 -12.447 -6.707 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.025 -14.104 -6.573 1.00 0.00 C ATOM 1086 CG LEU A 62 -16.210 -13.168 -7.788 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -15.228 -13.457 -8.930 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -17.635 -13.307 -8.325 1.00 0.00 C ATOM 0 H LEU A 62 -15.873 -14.750 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.973 -14.708 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -16.161 -15.130 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.824 -13.896 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.014 -12.156 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.412 -12.765 -9.752 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.206 -13.332 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.367 -14.480 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.767 -12.647 -9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.810 -14.339 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.346 -13.035 -7.545 1.00 0.00 H new ATOM 1100 N SER A 63 -14.417 -11.716 -5.032 1.00 0.00 N ATOM 1101 CA SER A 63 -13.785 -10.406 -4.881 1.00 0.00 C ATOM 1102 C SER A 63 -12.276 -10.441 -4.611 1.00 0.00 C ATOM 1103 O SER A 63 -11.662 -9.386 -4.711 1.00 0.00 O ATOM 1104 CB SER A 63 -14.480 -9.582 -3.800 1.00 0.00 C ATOM 1105 OG SER A 63 -15.544 -8.841 -4.359 1.00 0.00 O ATOM 0 H SER A 63 -15.202 -11.860 -4.397 1.00 0.00 H new ATOM 0 HA SER A 63 -13.906 -9.933 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.858 -10.240 -3.017 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.764 -8.907 -3.331 1.00 0.00 H new ATOM 0 HG SER A 63 -15.257 -7.915 -4.505 1.00 0.00 H new ATOM 1111 N VAL A 64 -11.649 -11.602 -4.360 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.210 -11.775 -4.586 1.00 0.00 C ATOM 1113 C VAL A 64 -9.875 -11.342 -6.011 1.00 0.00 C ATOM 1114 O VAL A 64 -9.310 -10.272 -6.187 1.00 0.00 O ATOM 1115 CB VAL A 64 -9.731 -13.209 -4.252 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -8.392 -13.532 -4.913 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -9.572 -13.402 -2.739 1.00 0.00 C ATOM 0 H VAL A 64 -12.119 -12.433 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.658 -11.135 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.497 -13.881 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.093 -14.547 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.491 -13.449 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.635 -12.830 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.235 -14.418 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.838 -12.693 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.530 -13.233 -2.248 1.00 0.00 H new ATOM 1127 N SER A 65 -10.228 -12.120 -7.036 1.00 0.00 N ATOM 1128 CA SER A 65 -9.880 -11.741 -8.406 1.00 0.00 C ATOM 1129 C SER A 65 -10.642 -10.489 -8.837 1.00 0.00 C ATOM 1130 O SER A 65 -10.077 -9.649 -9.537 1.00 0.00 O ATOM 1131 CB SER A 65 -10.132 -12.902 -9.373 1.00 0.00 C ATOM 1132 OG SER A 65 -9.001 -13.052 -10.209 1.00 0.00 O ATOM 0 H SER A 65 -10.743 -12.996 -6.948 1.00 0.00 H new ATOM 0 HA SER A 65 -8.816 -11.508 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.316 -13.822 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.021 -12.708 -9.972 1.00 0.00 H new ATOM 0 HG SER A 65 -8.232 -13.335 -9.671 1.00 0.00 H new ATOM 1138 N GLU A 66 -11.891 -10.343 -8.379 1.00 0.00 N ATOM 1139 CA GLU A 66 -12.785 -9.294 -8.852 1.00 0.00 C ATOM 1140 C GLU A 66 -12.456 -7.930 -8.269 1.00 0.00 C ATOM 1141 O GLU A 66 -12.260 -7.011 -9.051 1.00 0.00 O ATOM 1142 CB GLU A 66 -14.257 -9.687 -8.630 1.00 0.00 C ATOM 1143 CG GLU A 66 -15.054 -9.783 -9.942 1.00 0.00 C ATOM 1144 CD GLU A 66 -14.555 -10.831 -10.960 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -13.413 -11.328 -10.824 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -15.341 -11.119 -11.886 1.00 0.00 O ATOM 0 H GLU A 66 -12.304 -10.950 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.626 -9.196 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.298 -10.647 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.729 -8.954 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.092 -10.008 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.044 -8.805 -10.423 1.00 0.00 H new ATOM 1153 N ALA A 67 -12.363 -7.754 -6.945 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.045 -6.442 -6.387 1.00 0.00 C ATOM 1155 C ALA A 67 -10.586 -6.034 -6.685 1.00 0.00 C ATOM 1156 O ALA A 67 -10.302 -4.841 -6.802 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.400 -6.397 -4.905 1.00 0.00 C ATOM 0 H ALA A 67 -12.501 -8.492 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 67 -12.660 -5.690 -6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.158 -5.413 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.466 -6.588 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.831 -7.158 -4.371 1.00 0.00 H new ATOM 1163 N ILE A 68 -9.682 -7.007 -6.909 1.00 0.00 N ATOM 1164 CA ILE A 68 -8.359 -6.767 -7.505 1.00 0.00 C ATOM 1165 C ILE A 68 -8.503 -6.232 -8.935 1.00 0.00 C ATOM 1166 O ILE A 68 -8.061 -5.117 -9.209 1.00 0.00 O ATOM 1167 CB ILE A 68 -7.440 -8.012 -7.429 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.105 -8.275 -5.946 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.156 -7.790 -8.263 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.329 -9.567 -5.665 1.00 0.00 C ATOM 0 H ILE A 68 -9.853 -7.986 -6.679 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.862 -6.000 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.948 -8.881 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.525 -7.433 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.036 -8.300 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.522 -8.675 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.425 -7.612 -9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.615 -6.927 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.145 -9.655 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.912 -10.423 -6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.377 -9.542 -6.196 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.116 -6.994 -9.851 1.00 0.00 N ATOM 1183 CA ALA A 69 -9.304 -6.555 -11.232 1.00 0.00 C ATOM 1184 C ALA A 69 -10.086 -5.233 -11.324 1.00 0.00 C ATOM 1185 O ALA A 69 -9.734 -4.394 -12.145 1.00 0.00 O ATOM 1186 CB ALA A 69 -9.962 -7.672 -12.045 1.00 0.00 C ATOM 0 H ALA A 69 -9.491 -7.922 -9.654 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.324 -6.348 -11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.100 -7.340 -13.074 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.324 -8.556 -12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.931 -7.917 -11.610 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.069 -5.006 -10.444 1.00 0.00 N ATOM 1193 CA GLN A 70 -11.760 -3.731 -10.252 1.00 0.00 C ATOM 1194 C GLN A 70 -10.776 -2.626 -9.864 1.00 0.00 C ATOM 1195 O GLN A 70 -10.650 -1.682 -10.631 1.00 0.00 O ATOM 1196 CB GLN A 70 -12.898 -3.857 -9.233 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.109 -4.637 -9.778 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.048 -5.104 -8.666 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.350 -4.392 -7.722 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -15.557 -6.321 -8.732 1.00 0.00 N ATOM 0 H GLN A 70 -11.416 -5.737 -9.823 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.211 -3.451 -11.204 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.524 -4.355 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.220 -2.860 -8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.661 -4.006 -10.475 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.758 -5.502 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.318 -6.932 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.190 -6.649 -8.002 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.020 -2.722 -8.755 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.070 -1.642 -8.412 1.00 0.00 C ATOM 1211 C VAL A 71 -8.008 -1.408 -9.499 1.00 0.00 C ATOM 1212 O VAL A 71 -7.533 -0.287 -9.649 1.00 0.00 O ATOM 1213 CB VAL A 71 -8.423 -1.828 -7.023 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.271 -2.845 -6.994 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -7.889 -0.495 -6.477 1.00 0.00 C ATOM 0 H VAL A 71 -10.043 -3.504 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.675 -0.737 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.228 -2.216 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.873 -2.915 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.640 -3.822 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.482 -2.520 -7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.439 -0.657 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.138 -0.097 -7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.710 0.216 -6.386 1.00 0.00 H new ATOM 1225 N LYS A 72 -7.632 -2.451 -10.259 1.00 0.00 N ATOM 1226 CA LYS A 72 -6.660 -2.348 -11.356 1.00 0.00 C ATOM 1227 C LYS A 72 -7.248 -1.751 -12.639 1.00 0.00 C ATOM 1228 O LYS A 72 -6.527 -1.064 -13.356 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.045 -3.720 -11.666 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.169 -4.278 -10.527 1.00 0.00 C ATOM 1231 CD LYS A 72 -3.817 -4.823 -11.009 1.00 0.00 C ATOM 1232 CE LYS A 72 -3.962 -5.898 -12.098 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.380 -5.457 -13.390 1.00 0.00 N ATOM 0 H LYS A 72 -7.997 -3.394 -10.127 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.889 -1.661 -11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.846 -4.428 -11.876 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.443 -3.642 -12.571 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.994 -3.491 -9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.712 -5.074 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.216 -4.000 -11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.276 -5.242 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.470 -6.814 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.017 -6.135 -12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.498 -6.209 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.866 -4.597 -13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.368 -5.255 -13.264 1.00 0.00 H new ATOM 1247 N THR A 73 -8.513 -2.048 -12.955 1.00 0.00 N ATOM 1248 CA THR A 73 -9.242 -1.473 -14.098 1.00 0.00 C ATOM 1249 C THR A 73 -9.816 -0.084 -13.773 1.00 0.00 C ATOM 1250 O THR A 73 -10.029 0.723 -14.675 1.00 0.00 O ATOM 1251 CB THR A 73 -10.309 -2.468 -14.603 1.00 0.00 C ATOM 1252 OG1 THR A 73 -10.585 -2.252 -15.964 1.00 0.00 O ATOM 1253 CG2 THR A 73 -11.652 -2.459 -13.868 1.00 0.00 C ATOM 0 H THR A 73 -9.073 -2.708 -12.415 1.00 0.00 H new ATOM 0 HA THR A 73 -8.538 -1.310 -14.914 1.00 0.00 H new ATOM 0 HB THR A 73 -9.848 -3.437 -14.409 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.262 -2.893 -16.266 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.316 -3.199 -14.314 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.493 -2.700 -12.817 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.104 -1.471 -13.949 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.016 0.231 -12.485 1.00 0.00 N ATOM 1262 CA GLU A 74 -10.341 1.570 -12.004 1.00 0.00 C ATOM 1263 C GLU A 74 -9.146 2.538 -12.115 1.00 0.00 C ATOM 1264 O GLU A 74 -7.987 2.126 -12.030 1.00 0.00 O ATOM 1265 CB GLU A 74 -10.845 1.528 -10.547 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.347 1.219 -10.489 1.00 0.00 C ATOM 1267 CD GLU A 74 -12.887 1.308 -9.056 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.070 2.453 -8.584 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.126 0.237 -8.453 1.00 0.00 O ATOM 0 H GLU A 74 -9.953 -0.459 -11.736 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.136 1.946 -12.648 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.293 0.771 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.649 2.485 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.888 1.919 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.529 0.220 -10.886 1.00 0.00 H new