USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot -150:sc= -1.01 USER MOD Single : A 19 THR OG1 : rot 9:sc= -0.133 USER MOD Single : A 26 HIS : no HE2:sc= -6.2! C(o=-6.2!,f=-8.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 100:sc= -2 USER MOD Single : A 46 GLN : amide:sc= -4.09! C(o=-4.1!,f=-11!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 63 THR OG1 : rot 100:sc= 0.668 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.966 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -54:sc= -1.24 USER MOD Single : A 92 SER OG : rot 180:sc= -1.05 USER MOD Single : A 93 ASN : amide:sc= -0.617 K(o=-0.62,f=-7.8!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.779! C(o=-0.78!,f=-3.1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.191 17.149 -5.101 1.00 0.00 N ATOM 67 CA LEU A 8 4.497 16.235 -4.210 1.00 0.00 C ATOM 68 C LEU A 8 5.467 15.146 -3.747 1.00 0.00 C ATOM 69 O LEU A 8 6.081 14.466 -4.568 1.00 0.00 O ATOM 70 CB LEU A 8 3.234 15.689 -4.880 1.00 0.00 C ATOM 71 CG LEU A 8 2.525 14.548 -4.147 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.872 15.049 -2.857 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.521 13.847 -5.064 1.00 0.00 C ATOM 0 HA LEU A 8 4.155 16.759 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.528 16.510 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.497 15.344 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 8 3.272 13.807 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.375 14.219 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.636 15.465 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.139 15.820 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.031 13.040 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.772 14.565 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.043 13.436 -5.928 1.00 0.00 H new ATOM 85 N SER A 9 5.575 15.014 -2.433 1.00 0.00 N ATOM 86 CA SER A 9 6.460 14.020 -1.851 1.00 0.00 C ATOM 87 C SER A 9 5.703 12.709 -1.633 1.00 0.00 C ATOM 88 O SER A 9 4.515 12.719 -1.314 1.00 0.00 O ATOM 89 CB SER A 9 7.054 14.516 -0.531 1.00 0.00 C ATOM 90 OG SER A 9 8.296 15.188 -0.723 1.00 0.00 O ATOM 0 H SER A 9 5.064 15.579 -1.755 1.00 0.00 H new ATOM 0 HA SER A 9 7.282 13.846 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.348 15.191 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.200 13.671 0.141 1.00 0.00 H new ATOM 0 HG SER A 9 8.858 15.070 0.071 1.00 0.00 H new ATOM 96 N PRO A 10 6.440 11.581 -1.819 1.00 0.00 N ATOM 97 CA PRO A 10 5.851 10.264 -1.646 1.00 0.00 C ATOM 98 C PRO A 10 5.663 9.938 -0.163 1.00 0.00 C ATOM 99 O PRO A 10 6.111 10.688 0.703 1.00 0.00 O ATOM 100 CB PRO A 10 6.805 9.311 -2.347 1.00 0.00 C ATOM 101 CG PRO A 10 8.119 10.062 -2.482 1.00 0.00 C ATOM 102 CD PRO A 10 7.849 11.530 -2.197 1.00 0.00 C ATOM 0 HA PRO A 10 4.851 10.191 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.936 8.395 -1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.419 9.020 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.857 9.667 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.529 9.937 -3.484 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.488 11.902 -1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.046 12.146 -3.074 1.00 0.00 H new ATOM 110 N PRO A 11 4.981 8.789 0.091 1.00 0.00 N ATOM 111 CA PRO A 11 4.728 8.355 1.455 1.00 0.00 C ATOM 112 C PRO A 11 5.996 7.784 2.093 1.00 0.00 C ATOM 113 O PRO A 11 7.034 7.688 1.440 1.00 0.00 O ATOM 114 CB PRO A 11 3.609 7.333 1.340 1.00 0.00 C ATOM 115 CG PRO A 11 3.595 6.891 -0.114 1.00 0.00 C ATOM 116 CD PRO A 11 4.435 7.877 -0.909 1.00 0.00 C ATOM 0 HA PRO A 11 4.435 9.175 2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.784 6.486 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.651 7.769 1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.997 5.882 -0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.574 6.865 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.229 7.369 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.831 8.410 -1.643 1.00 0.00 H new ATOM 124 N ARG A 12 5.870 7.421 3.360 1.00 0.00 N ATOM 125 CA ARG A 12 6.993 6.862 4.094 1.00 0.00 C ATOM 126 C ARG A 12 6.497 5.882 5.159 1.00 0.00 C ATOM 127 O ARG A 12 5.295 5.778 5.400 1.00 0.00 O ATOM 128 CB ARG A 12 7.814 7.964 4.767 1.00 0.00 C ATOM 129 CG ARG A 12 7.563 9.319 4.102 1.00 0.00 C ATOM 130 CD ARG A 12 8.457 10.402 4.709 1.00 0.00 C ATOM 131 NE ARG A 12 8.212 11.697 4.036 1.00 0.00 N ATOM 132 CZ ARG A 12 8.892 12.821 4.299 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.864 12.816 5.222 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.601 13.950 3.639 1.00 0.00 N ATOM 0 H ARG A 12 5.007 7.503 3.898 1.00 0.00 H new ATOM 0 HA ARG A 12 7.627 6.337 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.556 8.021 5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.874 7.718 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.753 9.243 3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.516 9.598 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.257 10.494 5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.505 10.121 4.604 1.00 0.00 H new ATOM 0 HE ARG A 12 7.479 11.736 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.086 11.956 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.382 13.672 5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.862 13.954 2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.119 14.806 3.839 1.00 0.00 H new ATOM 148 N GLY A 13 7.448 5.190 5.769 1.00 0.00 N ATOM 149 CA GLY A 13 7.122 4.222 6.803 1.00 0.00 C ATOM 150 C GLY A 13 5.995 3.292 6.348 1.00 0.00 C ATOM 151 O GLY A 13 4.963 3.192 7.011 1.00 0.00 O ATOM 0 H GLY A 13 8.444 5.280 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.007 3.634 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.824 4.743 7.713 1.00 0.00 H new ATOM 155 N LEU A 14 6.231 2.636 5.222 1.00 0.00 N ATOM 156 CA LEU A 14 5.248 1.718 4.671 1.00 0.00 C ATOM 157 C LEU A 14 5.565 0.297 5.142 1.00 0.00 C ATOM 158 O LEU A 14 6.635 -0.234 4.848 1.00 0.00 O ATOM 159 CB LEU A 14 5.175 1.860 3.150 1.00 0.00 C ATOM 160 CG LEU A 14 3.797 1.645 2.521 1.00 0.00 C ATOM 161 CD1 LEU A 14 3.915 0.937 1.170 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.868 0.898 3.480 1.00 0.00 C ATOM 0 H LEU A 14 7.088 2.722 4.676 1.00 0.00 H new ATOM 0 HA LEU A 14 4.251 1.962 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.523 2.857 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.870 1.148 2.705 1.00 0.00 H new ATOM 0 HG LEU A 14 3.350 2.622 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.921 0.797 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.517 1.543 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.391 -0.034 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.895 0.758 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.298 -0.074 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.748 1.477 4.395 1.00 0.00 H new ATOM 174 N VAL A 15 4.614 -0.279 5.864 1.00 0.00 N ATOM 175 CA VAL A 15 4.778 -1.628 6.377 1.00 0.00 C ATOM 176 C VAL A 15 3.531 -2.450 6.047 1.00 0.00 C ATOM 177 O VAL A 15 2.510 -1.899 5.638 1.00 0.00 O ATOM 178 CB VAL A 15 5.086 -1.584 7.875 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.593 -1.492 8.123 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.347 -0.428 8.553 1.00 0.00 C ATOM 0 H VAL A 15 3.728 0.164 6.105 1.00 0.00 H new ATOM 0 HA VAL A 15 5.626 -2.118 5.898 1.00 0.00 H new ATOM 0 HB VAL A 15 4.730 -2.515 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.784 -1.462 9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.087 -2.362 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.983 -0.586 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.583 -0.419 9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.658 0.516 8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.273 -0.556 8.421 1.00 0.00 H new ATOM 190 N ALA A 16 3.654 -3.756 6.237 1.00 0.00 N ATOM 191 CA ALA A 16 2.549 -4.659 5.965 1.00 0.00 C ATOM 192 C ALA A 16 2.562 -5.797 6.988 1.00 0.00 C ATOM 193 O ALA A 16 3.486 -6.609 7.006 1.00 0.00 O ATOM 194 CB ALA A 16 2.648 -5.168 4.525 1.00 0.00 C ATOM 0 H ALA A 16 4.502 -4.210 6.576 1.00 0.00 H new ATOM 0 HA ALA A 16 1.596 -4.139 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.819 -5.846 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.605 -4.324 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.591 -5.698 4.390 1.00 0.00 H new ATOM 200 N VAL A 17 1.526 -5.819 7.814 1.00 0.00 N ATOM 201 CA VAL A 17 1.407 -6.844 8.837 1.00 0.00 C ATOM 202 C VAL A 17 0.245 -7.775 8.486 1.00 0.00 C ATOM 203 O VAL A 17 -0.918 -7.394 8.605 1.00 0.00 O ATOM 204 CB VAL A 17 1.258 -6.194 10.214 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.329 -4.980 10.149 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.765 -7.208 11.248 1.00 0.00 C ATOM 0 H VAL A 17 0.762 -5.144 7.796 1.00 0.00 H new ATOM 0 HA VAL A 17 2.311 -7.452 8.876 1.00 0.00 H new ATOM 0 HB VAL A 17 2.242 -5.846 10.529 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.240 -4.536 11.141 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.740 -4.244 9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.656 -5.293 9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.668 -6.720 12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.204 -7.600 10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.480 -8.027 11.324 1.00 0.00 H new ATOM 216 N ARG A 18 0.601 -8.979 8.061 1.00 0.00 N ATOM 217 CA ARG A 18 -0.398 -9.968 7.693 1.00 0.00 C ATOM 218 C ARG A 18 -1.211 -10.384 8.921 1.00 0.00 C ATOM 219 O ARG A 18 -0.658 -10.555 10.006 1.00 0.00 O ATOM 220 CB ARG A 18 0.255 -11.207 7.077 1.00 0.00 C ATOM 221 CG ARG A 18 -0.439 -11.601 5.771 1.00 0.00 C ATOM 222 CD ARG A 18 -1.573 -12.594 6.030 1.00 0.00 C ATOM 223 NE ARG A 18 -1.036 -13.825 6.652 1.00 0.00 N ATOM 224 CZ ARG A 18 -1.761 -14.927 6.884 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.058 -14.960 6.547 1.00 0.00 N ATOM 226 NH2 ARG A 18 -1.190 -15.998 7.453 1.00 0.00 N ATOM 0 H ARG A 18 1.567 -9.292 7.963 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.058 -9.514 6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.310 -11.010 6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.208 -12.036 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.835 -10.711 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.287 -12.043 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.320 -12.143 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.074 -12.839 5.093 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.052 -13.835 6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.493 -14.146 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.610 -15.799 6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.203 -15.974 7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.742 -16.837 7.630 1.00 0.00 H new ATOM 240 N THR A 19 -2.510 -10.536 8.707 1.00 0.00 N ATOM 241 CA THR A 19 -3.404 -10.929 9.783 1.00 0.00 C ATOM 242 C THR A 19 -4.403 -11.977 9.290 1.00 0.00 C ATOM 243 O THR A 19 -4.447 -12.286 8.100 1.00 0.00 O ATOM 244 CB THR A 19 -4.069 -9.665 10.330 1.00 0.00 C ATOM 245 OG1 THR A 19 -4.695 -9.081 9.191 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.052 -8.613 10.777 1.00 0.00 C ATOM 0 H THR A 19 -2.964 -10.394 7.805 1.00 0.00 H new ATOM 0 HA THR A 19 -2.858 -11.405 10.598 1.00 0.00 H new ATOM 0 HB THR A 19 -4.711 -9.928 11.171 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.648 -9.705 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.578 -7.737 11.156 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.422 -9.027 11.564 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.431 -8.324 9.929 1.00 0.00 H new ATOM 254 N PRO A 20 -5.201 -12.509 10.254 1.00 0.00 N ATOM 255 CA PRO A 20 -6.197 -13.516 9.929 1.00 0.00 C ATOM 256 C PRO A 20 -7.404 -12.888 9.228 1.00 0.00 C ATOM 257 O PRO A 20 -8.397 -13.565 8.970 1.00 0.00 O ATOM 258 CB PRO A 20 -6.552 -14.161 11.259 1.00 0.00 C ATOM 259 CG PRO A 20 -6.093 -13.186 12.331 1.00 0.00 C ATOM 260 CD PRO A 20 -5.177 -12.167 11.673 1.00 0.00 C ATOM 0 HA PRO A 20 -5.827 -14.262 9.225 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.624 -14.344 11.331 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.056 -15.125 11.370 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.949 -12.690 12.788 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.568 -13.714 13.127 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.531 -11.150 11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.166 -12.224 12.077 1.00 0.00 H new ATOM 268 N ARG A 21 -7.277 -11.601 8.941 1.00 0.00 N ATOM 269 CA ARG A 21 -8.344 -10.874 8.276 1.00 0.00 C ATOM 270 C ARG A 21 -7.777 -10.018 7.142 1.00 0.00 C ATOM 271 O ARG A 21 -8.482 -9.185 6.575 1.00 0.00 O ATOM 272 CB ARG A 21 -9.094 -9.974 9.259 1.00 0.00 C ATOM 273 CG ARG A 21 -9.362 -10.704 10.576 1.00 0.00 C ATOM 274 CD ARG A 21 -10.279 -9.881 11.483 1.00 0.00 C ATOM 275 NE ARG A 21 -10.239 -10.415 12.863 1.00 0.00 N ATOM 276 CZ ARG A 21 -10.700 -9.759 13.936 1.00 0.00 C ATOM 277 NH1 ARG A 21 -11.238 -8.540 13.796 1.00 0.00 N ATOM 278 NH2 ARG A 21 -10.623 -10.322 15.150 1.00 0.00 N ATOM 0 H ARG A 21 -6.451 -11.043 9.157 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.040 -11.607 7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.511 -9.073 9.451 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.038 -9.655 8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.820 -11.672 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.419 -10.898 11.087 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.966 -8.837 11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.300 -9.909 11.103 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.835 -11.341 13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.297 -8.111 12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.589 -8.041 14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.213 -11.250 15.257 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.974 -9.822 15.967 1.00 0.00 H new ATOM 292 N GLY A 22 -6.507 -10.252 6.845 1.00 0.00 N ATOM 293 CA GLY A 22 -5.837 -9.513 5.789 1.00 0.00 C ATOM 294 C GLY A 22 -4.463 -9.023 6.250 1.00 0.00 C ATOM 295 O GLY A 22 -3.805 -9.677 7.058 1.00 0.00 O ATOM 0 H GLY A 22 -5.924 -10.943 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.725 -10.148 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.449 -8.662 5.491 1.00 0.00 H new ATOM 299 N VAL A 23 -4.069 -7.876 5.716 1.00 0.00 N ATOM 300 CA VAL A 23 -2.785 -7.290 6.063 1.00 0.00 C ATOM 301 C VAL A 23 -2.975 -5.805 6.376 1.00 0.00 C ATOM 302 O VAL A 23 -3.498 -5.055 5.553 1.00 0.00 O ATOM 303 CB VAL A 23 -1.776 -7.540 4.940 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.446 -7.441 3.568 1.00 0.00 C ATOM 305 CG2 VAL A 23 -0.592 -6.576 5.043 1.00 0.00 C ATOM 0 H VAL A 23 -4.616 -7.337 5.045 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.379 -7.761 6.958 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.393 -8.554 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.707 -7.623 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.240 -8.185 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.870 -6.445 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.110 -6.775 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.951 -5.550 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.091 -6.716 6.001 1.00 0.00 H new ATOM 315 N LEU A 24 -2.540 -5.424 7.569 1.00 0.00 N ATOM 316 CA LEU A 24 -2.656 -4.042 8.001 1.00 0.00 C ATOM 317 C LEU A 24 -1.404 -3.273 7.575 1.00 0.00 C ATOM 318 O LEU A 24 -0.343 -3.421 8.180 1.00 0.00 O ATOM 319 CB LEU A 24 -2.938 -3.973 9.503 1.00 0.00 C ATOM 320 CG LEU A 24 -3.482 -2.640 10.023 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.218 -1.880 8.917 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.362 -2.850 11.257 1.00 0.00 C ATOM 0 H LEU A 24 -2.107 -6.049 8.249 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.506 -3.561 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.652 -4.757 9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.015 -4.199 10.037 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.638 -2.024 10.331 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.595 -0.937 9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.532 -1.680 8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.053 -2.481 8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.735 -1.887 11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.203 -3.493 10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.775 -3.319 12.047 1.00 0.00 H new ATOM 334 N LEU A 25 -1.569 -2.467 6.536 1.00 0.00 N ATOM 335 CA LEU A 25 -0.465 -1.673 6.022 1.00 0.00 C ATOM 336 C LEU A 25 -0.423 -0.331 6.755 1.00 0.00 C ATOM 337 O LEU A 25 -1.455 0.312 6.940 1.00 0.00 O ATOM 338 CB LEU A 25 -0.564 -1.541 4.501 1.00 0.00 C ATOM 339 CG LEU A 25 -0.968 -2.806 3.742 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.793 -2.461 2.501 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.257 -3.655 3.399 1.00 0.00 C ATOM 0 H LEU A 25 -2.450 -2.347 6.036 1.00 0.00 H new ATOM 0 HA LEU A 25 0.485 -2.171 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.286 -0.757 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.402 -1.207 4.122 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.603 -3.407 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.067 -3.378 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.697 -1.930 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.204 -1.828 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.059 -4.548 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.938 -3.076 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.766 -3.947 4.318 1.00 0.00 H new ATOM 353 N HIS A 26 0.782 0.052 7.152 1.00 0.00 N ATOM 354 CA HIS A 26 0.972 1.306 7.861 1.00 0.00 C ATOM 355 C HIS A 26 1.950 2.191 7.085 1.00 0.00 C ATOM 356 O HIS A 26 3.110 1.825 6.898 1.00 0.00 O ATOM 357 CB HIS A 26 1.417 1.054 9.303 1.00 0.00 C ATOM 358 CG HIS A 26 0.843 -0.203 9.912 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.520 -0.957 10.853 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.352 -0.828 9.704 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.759 -1.988 11.190 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.401 -1.906 10.476 1.00 0.00 N ATOM 0 H HIS A 26 1.636 -0.484 6.996 1.00 0.00 H new ATOM 0 HA HIS A 26 0.023 1.839 7.923 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.505 0.995 9.332 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.128 1.907 9.916 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.448 -0.754 11.225 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.126 -0.501 9.026 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.012 -2.758 11.904 1.00 0.00 H new ATOM 370 N TRP A 27 1.446 3.338 6.653 1.00 0.00 N ATOM 371 CA TRP A 27 2.261 4.277 5.901 1.00 0.00 C ATOM 372 C TRP A 27 2.205 5.629 6.616 1.00 0.00 C ATOM 373 O TRP A 27 1.495 5.781 7.610 1.00 0.00 O ATOM 374 CB TRP A 27 1.805 4.353 4.443 1.00 0.00 C ATOM 375 CG TRP A 27 0.378 4.875 4.263 1.00 0.00 C ATOM 376 CD1 TRP A 27 -0.031 6.149 4.185 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.820 4.079 4.140 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.399 6.232 4.022 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.894 4.933 3.994 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.990 2.683 4.153 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.213 4.488 3.849 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.314 2.254 4.007 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.407 3.101 3.859 1.00 0.00 C ATOM 0 H TRP A 27 0.484 3.638 6.809 1.00 0.00 H new ATOM 0 HA TRP A 27 3.298 3.945 5.865 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.489 4.999 3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.876 3.360 3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.627 7.003 4.242 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.946 7.089 3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.164 1.996 4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.037 5.177 3.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.500 1.190 4.009 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.401 2.691 3.752 1.00 0.00 H new ATOM 394 N ASP A 28 2.962 6.576 6.083 1.00 0.00 N ATOM 395 CA ASP A 28 3.007 7.910 6.657 1.00 0.00 C ATOM 396 C ASP A 28 2.591 8.932 5.598 1.00 0.00 C ATOM 397 O ASP A 28 2.798 8.713 4.405 1.00 0.00 O ATOM 398 CB ASP A 28 4.422 8.261 7.123 1.00 0.00 C ATOM 399 CG ASP A 28 4.607 8.325 8.640 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.624 8.008 9.345 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.726 8.689 9.061 1.00 0.00 O ATOM 0 H ASP A 28 3.550 6.446 5.259 1.00 0.00 H new ATOM 0 HA ASP A 28 2.329 7.932 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.115 7.523 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.699 9.225 6.697 1.00 0.00 H new ATOM 406 N PRO A 29 1.997 10.054 6.084 1.00 0.00 N ATOM 407 CA PRO A 29 1.549 11.110 5.191 1.00 0.00 C ATOM 408 C PRO A 29 2.734 11.923 4.667 1.00 0.00 C ATOM 409 O PRO A 29 3.743 12.071 5.354 1.00 0.00 O ATOM 410 CB PRO A 29 0.580 11.939 6.018 1.00 0.00 C ATOM 411 CG PRO A 29 0.872 11.598 7.470 1.00 0.00 C ATOM 412 CD PRO A 29 1.736 10.347 7.490 1.00 0.00 C ATOM 0 HA PRO A 29 1.060 10.725 4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.719 13.004 5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.453 11.703 5.762 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.386 12.425 7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.056 11.430 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.663 10.515 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.222 9.519 7.978 1.00 0.00 H new ATOM 420 N PRO A 30 2.569 12.442 3.421 1.00 0.00 N ATOM 421 CA PRO A 30 3.612 13.236 2.796 1.00 0.00 C ATOM 422 C PRO A 30 3.677 14.637 3.408 1.00 0.00 C ATOM 423 O PRO A 30 2.694 15.377 3.379 1.00 0.00 O ATOM 424 CB PRO A 30 3.264 13.250 1.316 1.00 0.00 C ATOM 425 CG PRO A 30 1.797 12.861 1.230 1.00 0.00 C ATOM 426 CD PRO A 30 1.387 12.287 2.577 1.00 0.00 C ATOM 0 HA PRO A 30 4.607 12.820 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.433 14.237 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.887 12.549 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.186 13.729 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.642 12.127 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.532 12.821 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.097 11.240 2.490 1.00 0.00 H new ATOM 434 N GLU A 31 4.843 14.959 3.948 1.00 0.00 N ATOM 435 CA GLU A 31 5.048 16.258 4.566 1.00 0.00 C ATOM 436 C GLU A 31 5.237 17.333 3.493 1.00 0.00 C ATOM 437 O GLU A 31 5.025 18.517 3.751 1.00 0.00 O ATOM 438 CB GLU A 31 6.239 16.226 5.526 1.00 0.00 C ATOM 439 CG GLU A 31 6.653 17.642 5.933 1.00 0.00 C ATOM 440 CD GLU A 31 7.190 17.665 7.366 1.00 0.00 C ATOM 441 OE1 GLU A 31 8.380 17.317 7.531 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.400 18.030 8.262 1.00 0.00 O ATOM 0 H GLU A 31 5.656 14.343 3.970 1.00 0.00 H new ATOM 0 HA GLU A 31 4.160 16.506 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.980 15.650 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.080 15.720 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.416 18.013 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.798 18.313 5.850 1.00 0.00 H new ATOM 449 N LEU A 32 5.634 16.881 2.312 1.00 0.00 N ATOM 450 CA LEU A 32 5.854 17.790 1.200 1.00 0.00 C ATOM 451 C LEU A 32 4.788 17.545 0.129 1.00 0.00 C ATOM 452 O LEU A 32 4.998 16.758 -0.792 1.00 0.00 O ATOM 453 CB LEU A 32 7.288 17.663 0.680 1.00 0.00 C ATOM 454 CG LEU A 32 8.331 18.547 1.368 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.651 18.539 0.595 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.796 19.965 1.575 1.00 0.00 C ATOM 0 H LEU A 32 5.809 15.898 2.101 1.00 0.00 H new ATOM 0 HA LEU A 32 5.748 18.825 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.599 16.623 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.289 17.895 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 32 8.534 18.132 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.375 19.175 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.036 17.521 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.484 18.916 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.556 20.573 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.548 20.405 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.902 19.929 2.198 1.00 0.00 H new ATOM 468 N VAL A 33 3.668 18.235 0.287 1.00 0.00 N ATOM 469 CA VAL A 33 2.569 18.103 -0.655 1.00 0.00 C ATOM 470 C VAL A 33 2.254 19.472 -1.260 1.00 0.00 C ATOM 471 O VAL A 33 2.438 20.500 -0.609 1.00 0.00 O ATOM 472 CB VAL A 33 1.363 17.462 0.035 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.507 17.522 1.558 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.059 18.121 -0.418 1.00 0.00 C ATOM 0 H VAL A 33 3.498 18.887 1.053 1.00 0.00 H new ATOM 0 HA VAL A 33 2.847 17.442 -1.476 1.00 0.00 H new ATOM 0 HB VAL A 33 1.328 16.413 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.637 17.060 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.407 16.987 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.579 18.562 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.783 17.647 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.082 19.182 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.052 18.004 -1.496 1.00 0.00 H new ATOM 484 N PRO A 34 1.773 19.442 -2.531 1.00 0.00 N ATOM 485 CA PRO A 34 1.430 20.668 -3.231 1.00 0.00 C ATOM 486 C PRO A 34 0.114 21.248 -2.710 1.00 0.00 C ATOM 487 O PRO A 34 -0.058 22.465 -2.667 1.00 0.00 O ATOM 488 CB PRO A 34 1.367 20.279 -4.699 1.00 0.00 C ATOM 489 CG PRO A 34 1.218 18.766 -4.723 1.00 0.00 C ATOM 490 CD PRO A 34 1.542 18.244 -3.333 1.00 0.00 C ATOM 0 HA PRO A 34 2.162 21.460 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.525 20.762 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.269 20.591 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.204 18.487 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.889 18.328 -5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.720 17.651 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.422 17.601 -3.347 1.00 0.00 H new ATOM 498 N LYS A 35 -0.781 20.350 -2.326 1.00 0.00 N ATOM 499 CA LYS A 35 -2.076 20.757 -1.809 1.00 0.00 C ATOM 500 C LYS A 35 -2.581 19.703 -0.822 1.00 0.00 C ATOM 501 O LYS A 35 -2.051 19.576 0.281 1.00 0.00 O ATOM 502 CB LYS A 35 -3.047 21.039 -2.957 1.00 0.00 C ATOM 503 CG LYS A 35 -2.780 22.413 -3.576 1.00 0.00 C ATOM 504 CD LYS A 35 -4.090 23.143 -3.875 1.00 0.00 C ATOM 505 CE LYS A 35 -4.558 22.868 -5.306 1.00 0.00 C ATOM 506 NZ LYS A 35 -6.036 22.856 -5.375 1.00 0.00 N ATOM 0 H LYS A 35 -0.635 19.341 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.988 21.694 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.948 20.267 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.072 20.995 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.174 23.011 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.206 22.296 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.857 22.823 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.953 24.215 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.163 23.631 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.164 21.910 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.336 22.668 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.407 22.112 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.405 23.779 -5.071 1.00 0.00 H new ATOM 520 N ARG A 36 -3.599 18.973 -1.254 1.00 0.00 N ATOM 521 CA ARG A 36 -4.181 17.934 -0.422 1.00 0.00 C ATOM 522 C ARG A 36 -3.988 16.563 -1.072 1.00 0.00 C ATOM 523 O ARG A 36 -3.826 16.466 -2.288 1.00 0.00 O ATOM 524 CB ARG A 36 -5.675 18.179 -0.198 1.00 0.00 C ATOM 525 CG ARG A 36 -5.934 18.748 1.198 1.00 0.00 C ATOM 526 CD ARG A 36 -6.607 17.709 2.097 1.00 0.00 C ATOM 527 NE ARG A 36 -8.077 17.883 2.059 1.00 0.00 N ATOM 528 CZ ARG A 36 -8.749 18.757 2.820 1.00 0.00 C ATOM 529 NH1 ARG A 36 -8.089 19.542 3.682 1.00 0.00 N ATOM 530 NH2 ARG A 36 -10.082 18.847 2.719 1.00 0.00 N ATOM 0 H ARG A 36 -4.036 19.081 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.672 17.958 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.051 18.871 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.223 17.245 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.992 19.066 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.566 19.633 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.343 16.704 1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.246 17.813 3.120 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.611 17.301 1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.074 19.474 3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.601 20.207 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.585 18.250 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.594 19.512 3.298 1.00 0.00 H new ATOM 544 N LEU A 37 -4.012 15.537 -0.234 1.00 0.00 N ATOM 545 CA LEU A 37 -3.842 14.175 -0.713 1.00 0.00 C ATOM 546 C LEU A 37 -5.145 13.700 -1.358 1.00 0.00 C ATOM 547 O LEU A 37 -6.139 13.478 -0.668 1.00 0.00 O ATOM 548 CB LEU A 37 -3.348 13.269 0.416 1.00 0.00 C ATOM 549 CG LEU A 37 -2.357 12.175 0.013 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.390 11.934 -1.498 1.00 0.00 C ATOM 551 CD2 LEU A 37 -0.947 12.503 0.510 1.00 0.00 C ATOM 0 H LEU A 37 -4.147 15.621 0.774 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.072 14.134 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.880 13.893 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.213 12.795 0.880 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.661 11.245 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.676 11.152 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.392 11.624 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.125 12.854 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.262 11.710 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.619 13.448 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.954 12.585 1.597 1.00 0.00 H new ATOM 563 N ASP A 38 -5.099 13.557 -2.675 1.00 0.00 N ATOM 564 CA ASP A 38 -6.263 13.111 -3.421 1.00 0.00 C ATOM 565 C ASP A 38 -6.567 11.655 -3.062 1.00 0.00 C ATOM 566 O ASP A 38 -7.729 11.271 -2.942 1.00 0.00 O ATOM 567 CB ASP A 38 -6.013 13.185 -4.928 1.00 0.00 C ATOM 568 CG ASP A 38 -6.583 14.425 -5.619 1.00 0.00 C ATOM 569 OD1 ASP A 38 -6.086 15.529 -5.305 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.502 14.243 -6.445 1.00 0.00 O ATOM 0 H ASP A 38 -4.273 13.742 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.099 13.761 -3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.938 13.151 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.441 12.298 -5.396 1.00 0.00 H new ATOM 575 N GLY A 39 -5.501 10.884 -2.902 1.00 0.00 N ATOM 576 CA GLY A 39 -5.639 9.479 -2.560 1.00 0.00 C ATOM 577 C GLY A 39 -4.409 8.684 -3.001 1.00 0.00 C ATOM 578 O GLY A 39 -3.748 9.044 -3.975 1.00 0.00 O ATOM 0 H GLY A 39 -4.538 11.206 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.777 9.375 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.530 9.071 -3.037 1.00 0.00 H new ATOM 582 N TYR A 40 -4.137 7.617 -2.264 1.00 0.00 N ATOM 583 CA TYR A 40 -2.998 6.767 -2.568 1.00 0.00 C ATOM 584 C TYR A 40 -3.423 5.556 -3.399 1.00 0.00 C ATOM 585 O TYR A 40 -4.607 5.374 -3.678 1.00 0.00 O ATOM 586 CB TYR A 40 -2.463 6.283 -1.219 1.00 0.00 C ATOM 587 CG TYR A 40 -2.103 7.411 -0.250 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.092 8.023 0.494 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.791 7.817 -0.120 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.754 9.085 1.406 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.453 8.879 0.792 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.451 9.461 1.510 1.00 0.00 C ATOM 593 OH TYR A 40 -1.132 10.464 2.371 1.00 0.00 O ATOM 0 H TYR A 40 -4.686 7.322 -1.457 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.252 7.316 -3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.211 5.642 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.579 5.669 -1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.119 7.705 0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.017 7.338 -0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.518 9.572 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.570 9.206 0.903 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.779 10.082 3.202 1.00 0.00 H new ATOM 603 N VAL A 41 -2.434 4.758 -3.772 1.00 0.00 N ATOM 604 CA VAL A 41 -2.690 3.568 -4.566 1.00 0.00 C ATOM 605 C VAL A 41 -1.906 2.391 -3.983 1.00 0.00 C ATOM 606 O VAL A 41 -0.678 2.368 -4.043 1.00 0.00 O ATOM 607 CB VAL A 41 -2.358 3.838 -6.035 1.00 0.00 C ATOM 608 CG1 VAL A 41 -1.076 4.664 -6.165 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.249 2.531 -6.822 1.00 0.00 C ATOM 0 H VAL A 41 -1.453 4.912 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.747 3.304 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.176 4.419 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.863 4.842 -7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.205 5.619 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.246 4.121 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.012 2.752 -7.863 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.460 1.913 -6.394 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.197 1.996 -6.771 1.00 0.00 H new ATOM 619 N LEU A 42 -2.648 1.443 -3.430 1.00 0.00 N ATOM 620 CA LEU A 42 -2.038 0.266 -2.836 1.00 0.00 C ATOM 621 C LEU A 42 -1.793 -0.781 -3.925 1.00 0.00 C ATOM 622 O LEU A 42 -2.738 -1.362 -4.456 1.00 0.00 O ATOM 623 CB LEU A 42 -2.885 -0.247 -1.670 1.00 0.00 C ATOM 624 CG LEU A 42 -2.184 -1.198 -0.699 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.640 -2.642 -0.919 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.664 -1.057 -0.794 1.00 0.00 C ATOM 0 H LEU A 42 -3.667 1.466 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.067 0.516 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.250 0.612 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.759 -0.755 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.470 -0.921 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.126 -3.297 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.716 -2.712 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.403 -2.947 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.190 -1.744 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.339 -1.292 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.377 -0.034 -0.549 1.00 0.00 H new ATOM 638 N GLU A 43 -0.519 -0.990 -4.225 1.00 0.00 N ATOM 639 CA GLU A 43 -0.138 -1.956 -5.240 1.00 0.00 C ATOM 640 C GLU A 43 0.678 -3.090 -4.615 1.00 0.00 C ATOM 641 O GLU A 43 1.781 -2.865 -4.119 1.00 0.00 O ATOM 642 CB GLU A 43 0.638 -1.283 -6.374 1.00 0.00 C ATOM 643 CG GLU A 43 -0.248 -1.090 -7.606 1.00 0.00 C ATOM 644 CD GLU A 43 0.373 -0.083 -8.576 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.091 0.813 -8.081 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.116 -0.231 -9.790 1.00 0.00 O ATOM 0 H GLU A 43 0.262 -0.506 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.046 -2.381 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.015 -0.317 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.505 -1.890 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.389 -2.046 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.234 -0.743 -7.298 1.00 0.00 H new ATOM 653 N GLY A 44 0.103 -4.283 -4.659 1.00 0.00 N ATOM 654 CA GLY A 44 0.763 -5.452 -4.102 1.00 0.00 C ATOM 655 C GLY A 44 0.975 -6.523 -5.174 1.00 0.00 C ATOM 656 O GLY A 44 0.564 -6.350 -6.320 1.00 0.00 O ATOM 0 H GLY A 44 -0.812 -4.465 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.724 -5.163 -3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.163 -5.860 -3.288 1.00 0.00 H new ATOM 660 N ARG A 45 1.617 -7.607 -4.763 1.00 0.00 N ATOM 661 CA ARG A 45 1.889 -8.706 -5.673 1.00 0.00 C ATOM 662 C ARG A 45 2.701 -9.793 -4.965 1.00 0.00 C ATOM 663 O ARG A 45 3.488 -9.499 -4.067 1.00 0.00 O ATOM 664 CB ARG A 45 2.660 -8.225 -6.904 1.00 0.00 C ATOM 665 CG ARG A 45 4.035 -7.681 -6.512 1.00 0.00 C ATOM 666 CD ARG A 45 5.005 -7.738 -7.694 1.00 0.00 C ATOM 667 NE ARG A 45 6.400 -7.789 -7.202 1.00 0.00 N ATOM 668 CZ ARG A 45 7.465 -7.424 -7.928 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.303 -6.980 -9.181 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.694 -7.504 -7.399 1.00 0.00 N ATOM 0 H ARG A 45 1.957 -7.747 -3.811 1.00 0.00 H new ATOM 0 HA ARG A 45 0.931 -9.114 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.778 -9.049 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.090 -7.449 -7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.938 -6.652 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.436 -8.260 -5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.794 -8.615 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.867 -6.864 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 45 6.560 -8.123 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.368 -6.919 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.115 -6.702 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.817 -7.842 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.506 -7.226 -7.951 1.00 0.00 H new ATOM 684 N GLN A 46 2.480 -11.027 -5.396 1.00 0.00 N ATOM 685 CA GLN A 46 3.181 -12.159 -4.815 1.00 0.00 C ATOM 686 C GLN A 46 4.146 -12.766 -5.835 1.00 0.00 C ATOM 687 O GLN A 46 3.910 -12.691 -7.040 1.00 0.00 O ATOM 688 CB GLN A 46 2.195 -13.209 -4.300 1.00 0.00 C ATOM 689 CG GLN A 46 1.420 -13.846 -5.456 1.00 0.00 C ATOM 690 CD GLN A 46 1.025 -15.286 -5.123 1.00 0.00 C ATOM 691 OE1 GLN A 46 0.232 -15.550 -4.235 1.00 0.00 O ATOM 692 NE2 GLN A 46 1.621 -16.200 -5.884 1.00 0.00 N ATOM 0 H GLN A 46 1.825 -11.267 -6.141 1.00 0.00 H new ATOM 0 HA GLN A 46 3.760 -11.804 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.734 -13.980 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.498 -12.747 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.526 -13.259 -5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.030 -13.832 -6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.275 -15.910 -6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.424 -17.190 -5.741 1.00 0.00 H new ATOM 736 N GLY A 50 2.418 -9.949 -11.719 1.00 0.00 N ATOM 737 CA GLY A 50 2.207 -8.567 -12.116 1.00 0.00 C ATOM 738 C GLY A 50 1.674 -7.737 -10.947 1.00 0.00 C ATOM 739 O GLY A 50 0.864 -8.219 -10.157 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.144 -8.140 -12.472 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.502 -8.527 -12.947 1.00 0.00 H new ATOM 743 N TRP A 51 2.149 -6.502 -10.875 1.00 0.00 N ATOM 744 CA TRP A 51 1.730 -5.599 -9.816 1.00 0.00 C ATOM 745 C TRP A 51 0.212 -5.436 -9.908 1.00 0.00 C ATOM 746 O TRP A 51 -0.297 -4.844 -10.859 1.00 0.00 O ATOM 747 CB TRP A 51 2.481 -4.269 -9.901 1.00 0.00 C ATOM 748 CG TRP A 51 3.871 -4.297 -9.262 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.061 -4.311 -9.878 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.168 -4.314 -7.850 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.100 -4.335 -8.970 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.540 -4.337 -7.697 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.307 -4.309 -6.739 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.171 -4.358 -6.448 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.954 -4.331 -5.498 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.333 -4.354 -5.327 1.00 0.00 C ATOM 0 H TRP A 51 2.820 -6.105 -11.533 1.00 0.00 H new ATOM 0 HA TRP A 51 1.977 -6.010 -8.837 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.580 -3.986 -10.949 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.885 -3.495 -9.416 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.191 -4.304 -10.950 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.096 -4.349 -9.192 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.231 -4.290 -6.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.247 -4.376 -6.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.338 -4.330 -4.611 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.756 -4.369 -4.333 1.00 0.00 H new ATOM 767 N GLU A 52 -0.470 -5.972 -8.906 1.00 0.00 N ATOM 768 CA GLU A 52 -1.921 -5.893 -8.861 1.00 0.00 C ATOM 769 C GLU A 52 -2.362 -4.773 -7.917 1.00 0.00 C ATOM 770 O GLU A 52 -2.207 -4.883 -6.702 1.00 0.00 O ATOM 771 CB GLU A 52 -2.530 -7.233 -8.445 1.00 0.00 C ATOM 772 CG GLU A 52 -2.423 -7.438 -6.933 1.00 0.00 C ATOM 773 CD GLU A 52 -2.498 -8.923 -6.574 1.00 0.00 C ATOM 774 OE1 GLU A 52 -1.640 -9.675 -7.086 1.00 0.00 O ATOM 775 OE2 GLU A 52 -3.410 -9.274 -5.796 1.00 0.00 O ATOM 0 H GLU A 52 -0.045 -6.463 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.285 -5.662 -9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.577 -7.270 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.019 -8.045 -8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.484 -7.020 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.226 -6.898 -6.432 1.00 0.00 H new ATOM 782 N VAL A 53 -2.905 -3.720 -8.512 1.00 0.00 N ATOM 783 CA VAL A 53 -3.370 -2.581 -7.740 1.00 0.00 C ATOM 784 C VAL A 53 -4.499 -3.028 -6.809 1.00 0.00 C ATOM 785 O VAL A 53 -5.621 -3.262 -7.256 1.00 0.00 O ATOM 786 CB VAL A 53 -3.783 -1.446 -8.678 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.373 -0.272 -7.893 1.00 0.00 C ATOM 788 CG2 VAL A 53 -2.604 -0.991 -9.541 1.00 0.00 C ATOM 0 H VAL A 53 -3.033 -3.633 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.567 -2.191 -7.114 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.558 -1.827 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.658 0.521 -8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.252 -0.607 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.629 0.108 -7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.925 -0.183 -10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.798 -0.637 -8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.248 -1.828 -10.141 1.00 0.00 H new ATOM 798 N LEU A 54 -4.163 -3.134 -5.532 1.00 0.00 N ATOM 799 CA LEU A 54 -5.135 -3.549 -4.535 1.00 0.00 C ATOM 800 C LEU A 54 -6.241 -2.497 -4.438 1.00 0.00 C ATOM 801 O LEU A 54 -7.423 -2.836 -4.387 1.00 0.00 O ATOM 802 CB LEU A 54 -4.444 -3.840 -3.201 1.00 0.00 C ATOM 803 CG LEU A 54 -3.321 -4.878 -3.240 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.917 -5.302 -1.826 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.711 -6.076 -4.108 1.00 0.00 C ATOM 0 H LEU A 54 -3.231 -2.940 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.610 -4.484 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.035 -2.906 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.198 -4.176 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.447 -4.418 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.117 -6.040 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.569 -4.431 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.777 -5.737 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.895 -6.799 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.606 -6.545 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.910 -5.739 -5.125 1.00 0.00 H new ATOM 817 N ASP A 55 -5.819 -1.241 -4.414 1.00 0.00 N ATOM 818 CA ASP A 55 -6.759 -0.137 -4.324 1.00 0.00 C ATOM 819 C ASP A 55 -6.042 1.168 -4.678 1.00 0.00 C ATOM 820 O ASP A 55 -5.273 1.695 -3.877 1.00 0.00 O ATOM 821 CB ASP A 55 -7.314 -0.001 -2.905 1.00 0.00 C ATOM 822 CG ASP A 55 -8.732 0.567 -2.817 1.00 0.00 C ATOM 823 OD1 ASP A 55 -9.170 1.159 -3.827 1.00 0.00 O ATOM 824 OD2 ASP A 55 -9.346 0.397 -1.742 1.00 0.00 O ATOM 0 H ASP A 55 -4.838 -0.964 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.579 -0.335 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.302 -0.982 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.646 0.640 -2.329 1.00 0.00 H new ATOM 829 N PRO A 56 -6.328 1.663 -5.912 1.00 0.00 N ATOM 830 CA PRO A 56 -5.720 2.896 -6.382 1.00 0.00 C ATOM 831 C PRO A 56 -6.355 4.114 -5.708 1.00 0.00 C ATOM 832 O PRO A 56 -5.792 5.207 -5.734 1.00 0.00 O ATOM 833 CB PRO A 56 -5.916 2.882 -7.890 1.00 0.00 C ATOM 834 CG PRO A 56 -7.028 1.880 -8.155 1.00 0.00 C ATOM 835 CD PRO A 56 -7.234 1.066 -6.888 1.00 0.00 C ATOM 0 HA PRO A 56 -4.661 2.964 -6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.186 3.872 -8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.998 2.591 -8.401 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -7.948 2.395 -8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.764 1.229 -8.988 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.269 1.116 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.002 0.014 -7.051 1.00 0.00 H new ATOM 843 N ALA A 57 -7.520 3.883 -5.120 1.00 0.00 N ATOM 844 CA ALA A 57 -8.238 4.947 -4.439 1.00 0.00 C ATOM 845 C ALA A 57 -8.226 4.683 -2.932 1.00 0.00 C ATOM 846 O ALA A 57 -9.002 3.869 -2.435 1.00 0.00 O ATOM 847 CB ALA A 57 -9.657 5.046 -5.002 1.00 0.00 C ATOM 0 H ALA A 57 -7.984 2.975 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.751 5.908 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.196 5.844 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.611 5.264 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.177 4.100 -4.847 1.00 0.00 H new ATOM 853 N VAL A 58 -7.336 5.386 -2.248 1.00 0.00 N ATOM 854 CA VAL A 58 -7.212 5.238 -0.808 1.00 0.00 C ATOM 855 C VAL A 58 -7.329 6.612 -0.146 1.00 0.00 C ATOM 856 O VAL A 58 -6.749 7.586 -0.623 1.00 0.00 O ATOM 857 CB VAL A 58 -5.906 4.519 -0.466 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.632 4.564 1.039 1.00 0.00 C ATOM 859 CG2 VAL A 58 -5.924 3.077 -0.977 1.00 0.00 C ATOM 0 H VAL A 58 -6.693 6.060 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.020 4.619 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.094 5.043 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.698 4.046 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.555 5.602 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.448 4.077 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.984 2.588 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.751 2.538 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.050 3.076 -2.060 1.00 0.00 H new ATOM 869 N ALA A 59 -8.082 6.647 0.944 1.00 0.00 N ATOM 870 CA ALA A 59 -8.282 7.886 1.676 1.00 0.00 C ATOM 871 C ALA A 59 -6.965 8.664 1.723 1.00 0.00 C ATOM 872 O ALA A 59 -5.932 8.119 2.110 1.00 0.00 O ATOM 873 CB ALA A 59 -8.824 7.572 3.072 1.00 0.00 C ATOM 0 H ALA A 59 -8.561 5.837 1.338 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.018 8.514 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.974 8.501 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.774 7.045 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.110 6.945 3.607 1.00 0.00 H new ATOM 879 N GLY A 60 -7.045 9.925 1.324 1.00 0.00 N ATOM 880 CA GLY A 60 -5.873 10.783 1.316 1.00 0.00 C ATOM 881 C GLY A 60 -5.460 11.161 2.739 1.00 0.00 C ATOM 882 O GLY A 60 -4.392 11.734 2.949 1.00 0.00 O ATOM 0 H GLY A 60 -7.904 10.373 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.048 10.273 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.083 11.686 0.743 1.00 0.00 H new ATOM 886 N THR A 61 -6.329 10.826 3.682 1.00 0.00 N ATOM 887 CA THR A 61 -6.069 11.124 5.080 1.00 0.00 C ATOM 888 C THR A 61 -5.738 9.841 5.846 1.00 0.00 C ATOM 889 O THR A 61 -5.327 9.894 7.004 1.00 0.00 O ATOM 890 CB THR A 61 -7.282 11.870 5.639 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.381 11.006 5.356 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.599 13.144 4.854 1.00 0.00 C ATOM 0 H THR A 61 -7.214 10.351 3.505 1.00 0.00 H new ATOM 0 HA THR A 61 -5.196 11.766 5.191 1.00 0.00 H new ATOM 0 HB THR A 61 -7.103 12.123 6.684 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.210 11.412 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.468 13.635 5.292 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.743 13.818 4.894 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.812 12.888 3.816 1.00 0.00 H new ATOM 900 N GLU A 62 -5.930 8.719 5.168 1.00 0.00 N ATOM 901 CA GLU A 62 -5.658 7.425 5.770 1.00 0.00 C ATOM 902 C GLU A 62 -4.150 7.220 5.926 1.00 0.00 C ATOM 903 O GLU A 62 -3.358 7.854 5.231 1.00 0.00 O ATOM 904 CB GLU A 62 -6.283 6.296 4.948 1.00 0.00 C ATOM 905 CG GLU A 62 -7.635 5.879 5.529 1.00 0.00 C ATOM 906 CD GLU A 62 -7.453 4.941 6.725 1.00 0.00 C ATOM 907 OE1 GLU A 62 -6.849 5.400 7.718 1.00 0.00 O ATOM 908 OE2 GLU A 62 -7.922 3.788 6.618 1.00 0.00 O ATOM 0 H GLU A 62 -6.271 8.679 4.207 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.113 7.403 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.411 6.621 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.610 5.438 4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.191 6.764 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.228 5.383 4.760 1.00 0.00 H new ATOM 915 N THR A 63 -3.798 6.331 6.844 1.00 0.00 N ATOM 916 CA THR A 63 -2.399 6.034 7.100 1.00 0.00 C ATOM 917 C THR A 63 -2.177 4.521 7.159 1.00 0.00 C ATOM 918 O THR A 63 -1.084 4.063 7.488 1.00 0.00 O ATOM 919 CB THR A 63 -1.990 6.758 8.384 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.023 6.433 9.311 1.00 0.00 O ATOM 921 CG2 THR A 63 -2.074 8.279 8.251 1.00 0.00 C ATOM 0 H THR A 63 -4.458 5.807 7.419 1.00 0.00 H new ATOM 0 HA THR A 63 -1.764 6.393 6.290 1.00 0.00 H new ATOM 0 HB THR A 63 -0.973 6.473 8.652 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.716 5.716 9.904 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.773 8.744 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.410 8.612 7.453 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.098 8.568 8.015 1.00 0.00 H new ATOM 929 N GLU A 64 -3.232 3.787 6.833 1.00 0.00 N ATOM 930 CA GLU A 64 -3.166 2.336 6.845 1.00 0.00 C ATOM 931 C GLU A 64 -4.394 1.743 6.151 1.00 0.00 C ATOM 932 O GLU A 64 -5.385 2.439 5.934 1.00 0.00 O ATOM 933 CB GLU A 64 -3.033 1.804 8.273 1.00 0.00 C ATOM 934 CG GLU A 64 -3.898 2.613 9.242 1.00 0.00 C ATOM 935 CD GLU A 64 -3.030 3.405 10.222 1.00 0.00 C ATOM 936 OE1 GLU A 64 -2.071 4.045 9.740 1.00 0.00 O ATOM 937 OE2 GLU A 64 -3.345 3.351 11.430 1.00 0.00 O ATOM 0 H GLU A 64 -4.137 4.171 6.559 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.277 2.028 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.330 0.756 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.990 1.849 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.536 3.296 8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.556 1.942 9.794 1.00 0.00 H new ATOM 944 N LEU A 65 -4.289 0.464 5.822 1.00 0.00 N ATOM 945 CA LEU A 65 -5.379 -0.230 5.158 1.00 0.00 C ATOM 946 C LEU A 65 -5.268 -1.730 5.437 1.00 0.00 C ATOM 947 O LEU A 65 -4.174 -2.243 5.669 1.00 0.00 O ATOM 948 CB LEU A 65 -5.406 0.118 3.668 1.00 0.00 C ATOM 949 CG LEU A 65 -6.358 -0.711 2.803 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.781 -0.153 2.866 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.845 -0.812 1.366 1.00 0.00 C ATOM 0 H LEU A 65 -3.465 -0.110 6.003 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.339 0.098 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.676 1.169 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.397 0.008 3.271 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.391 -1.724 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.438 -0.760 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.135 -0.176 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.785 0.875 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.540 -1.406 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.764 0.187 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.865 -1.289 1.362 1.00 0.00 H new ATOM 963 N LEU A 66 -6.415 -2.392 5.405 1.00 0.00 N ATOM 964 CA LEU A 66 -6.461 -3.823 5.652 1.00 0.00 C ATOM 965 C LEU A 66 -6.879 -4.544 4.369 1.00 0.00 C ATOM 966 O LEU A 66 -7.889 -4.196 3.758 1.00 0.00 O ATOM 967 CB LEU A 66 -7.359 -4.132 6.852 1.00 0.00 C ATOM 968 CG LEU A 66 -7.707 -5.606 7.068 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.441 -6.453 7.208 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.647 -5.778 8.262 1.00 0.00 C ATOM 0 H LEU A 66 -7.320 -1.963 5.212 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.472 -4.195 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.870 -3.759 7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.288 -3.573 6.739 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.238 -5.965 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.716 -7.497 7.361 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.842 -6.365 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.861 -6.102 8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.879 -6.835 8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.165 -5.397 9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.569 -5.224 8.082 1.00 0.00 H new ATOM 982 N VAL A 67 -6.082 -5.536 3.999 1.00 0.00 N ATOM 983 CA VAL A 67 -6.358 -6.309 2.800 1.00 0.00 C ATOM 984 C VAL A 67 -6.555 -7.778 3.180 1.00 0.00 C ATOM 985 O VAL A 67 -5.590 -8.481 3.478 1.00 0.00 O ATOM 986 CB VAL A 67 -5.240 -6.101 1.776 1.00 0.00 C ATOM 987 CG1 VAL A 67 -5.420 -7.030 0.573 1.00 0.00 C ATOM 988 CG2 VAL A 67 -5.167 -4.639 1.333 1.00 0.00 C ATOM 0 H VAL A 67 -5.246 -5.822 4.508 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.280 -5.969 2.329 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.294 -6.353 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.613 -6.863 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.399 -8.067 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.377 -6.823 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.364 -4.519 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.115 -4.349 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.970 -4.006 2.198 1.00 0.00 H new ATOM 998 N PRO A 68 -7.844 -8.210 3.156 1.00 0.00 N ATOM 999 CA PRO A 68 -8.180 -9.583 3.494 1.00 0.00 C ATOM 1000 C PRO A 68 -7.804 -10.535 2.357 1.00 0.00 C ATOM 1001 O PRO A 68 -7.809 -11.752 2.535 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.672 -9.563 3.782 1.00 0.00 C ATOM 1003 CG PRO A 68 -10.203 -8.287 3.148 1.00 0.00 C ATOM 1004 CD PRO A 68 -9.012 -7.406 2.807 1.00 0.00 C ATOM 0 HA PRO A 68 -7.626 -9.951 4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.162 -10.441 3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.863 -9.574 4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.777 -8.517 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.876 -7.771 3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.007 -7.138 1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.034 -6.474 3.372 1.00 0.00 H new ATOM 1012 N GLY A 69 -7.485 -9.945 1.215 1.00 0.00 N ATOM 1013 CA GLY A 69 -7.107 -10.726 0.049 1.00 0.00 C ATOM 1014 C GLY A 69 -5.949 -11.672 0.376 1.00 0.00 C ATOM 1015 O GLY A 69 -6.125 -12.643 1.109 1.00 0.00 O ATOM 0 H GLY A 69 -7.480 -8.935 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.964 -11.301 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.818 -10.058 -0.763 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.792 -11.355 -0.186 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.606 -12.164 0.036 1.00 0.00 C ATOM 1021 C LEU A 70 -3.962 -13.642 -0.138 1.00 0.00 C ATOM 1022 O LEU A 70 -5.092 -13.974 -0.494 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.981 -11.838 1.394 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.726 -10.356 1.677 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.743 -10.181 2.836 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.259 -9.630 0.414 1.00 0.00 C ATOM 0 H LEU A 70 -4.651 -10.549 -0.795 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.842 -11.930 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.633 -12.230 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.033 -12.371 1.473 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.667 -9.899 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.579 -9.119 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.153 -10.643 3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.795 -10.657 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.085 -8.578 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.334 -10.082 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.025 -9.712 -0.357 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.977 -14.490 0.121 1.00 0.00 N ATOM 1039 CA ILE A 71 -3.173 -15.924 -0.003 1.00 0.00 C ATOM 1040 C ILE A 71 -2.276 -16.646 1.005 1.00 0.00 C ATOM 1041 O ILE A 71 -1.973 -16.107 2.068 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.955 -16.372 -1.450 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.283 -15.242 -2.428 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.749 -17.644 -1.756 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -3.029 -15.677 -3.873 1.00 0.00 C ATOM 0 H ILE A 71 -2.041 -14.211 0.416 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.203 -16.189 0.237 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.900 -16.613 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.326 -14.946 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.676 -14.367 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.576 -17.941 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.425 -18.444 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.812 -17.455 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.270 -14.856 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.980 -15.949 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.656 -16.537 -4.110 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.877 -17.854 0.636 1.00 0.00 N ATOM 1058 CA LYS A 72 -1.022 -18.655 1.495 1.00 0.00 C ATOM 1059 C LYS A 72 0.147 -19.203 0.674 1.00 0.00 C ATOM 1060 O LYS A 72 0.007 -19.454 -0.522 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.837 -19.738 2.203 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.777 -20.445 1.225 1.00 0.00 C ATOM 1063 CD LYS A 72 -2.704 -21.964 1.394 1.00 0.00 C ATOM 1064 CE LYS A 72 -2.494 -22.656 0.046 1.00 0.00 C ATOM 1065 NZ LYS A 72 -3.659 -23.506 -0.287 1.00 0.00 N ATOM 0 H LYS A 72 -2.130 -18.298 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.596 -18.041 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.164 -20.466 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.416 -19.292 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.800 -20.106 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.512 -20.176 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.887 -22.220 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.623 -22.327 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.347 -21.909 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.590 -23.264 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.500 -23.968 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.782 -24.230 0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.515 -22.917 -0.339 1.00 0.00 H new ATOM 1079 N ASP A 73 1.274 -19.374 1.349 1.00 0.00 N ATOM 1080 CA ASP A 73 2.467 -19.888 0.698 1.00 0.00 C ATOM 1081 C ASP A 73 2.903 -18.915 -0.399 1.00 0.00 C ATOM 1082 O ASP A 73 3.297 -19.335 -1.486 1.00 0.00 O ATOM 1083 CB ASP A 73 2.196 -21.246 0.045 1.00 0.00 C ATOM 1084 CG ASP A 73 2.578 -22.459 0.895 1.00 0.00 C ATOM 1085 OD1 ASP A 73 3.406 -22.271 1.813 1.00 0.00 O ATOM 1086 OD2 ASP A 73 2.034 -23.547 0.608 1.00 0.00 O ATOM 0 H ASP A 73 1.386 -19.165 2.341 1.00 0.00 H new ATOM 0 HA ASP A 73 3.243 -20.000 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.135 -21.311 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.742 -21.295 -0.897 1.00 0.00 H new ATOM 1091 N VAL A 74 2.818 -17.633 -0.077 1.00 0.00 N ATOM 1092 CA VAL A 74 3.199 -16.597 -1.021 1.00 0.00 C ATOM 1093 C VAL A 74 3.567 -15.324 -0.255 1.00 0.00 C ATOM 1094 O VAL A 74 3.112 -15.119 0.869 1.00 0.00 O ATOM 1095 CB VAL A 74 2.078 -16.378 -2.039 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.722 -17.685 -2.752 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.845 -15.764 -1.374 1.00 0.00 C ATOM 0 H VAL A 74 2.491 -17.288 0.825 1.00 0.00 H new ATOM 0 HA VAL A 74 4.079 -16.902 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 74 2.440 -15.674 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.923 -17.502 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.600 -18.065 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.390 -18.420 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.064 -15.619 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.482 -16.432 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.110 -14.802 -0.934 1.00 0.00 H new ATOM 1107 N LEU A 75 4.387 -14.503 -0.894 1.00 0.00 N ATOM 1108 CA LEU A 75 4.821 -13.257 -0.287 1.00 0.00 C ATOM 1109 C LEU A 75 4.261 -12.081 -1.090 1.00 0.00 C ATOM 1110 O LEU A 75 4.843 -11.678 -2.096 1.00 0.00 O ATOM 1111 CB LEU A 75 6.344 -13.233 -0.143 1.00 0.00 C ATOM 1112 CG LEU A 75 6.895 -12.394 1.013 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.064 -11.126 1.215 1.00 0.00 C ATOM 1114 CD2 LEU A 75 6.995 -13.225 2.294 1.00 0.00 C ATOM 0 H LEU A 75 4.762 -14.677 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 75 4.427 -13.169 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.694 -14.258 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.771 -12.859 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 75 7.906 -12.078 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.477 -10.548 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.089 -10.526 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.033 -11.399 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.389 -12.606 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.006 -13.591 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.662 -14.071 2.128 1.00 0.00 H new ATOM 1126 N TYR A 76 3.137 -11.563 -0.615 1.00 0.00 N ATOM 1127 CA TYR A 76 2.492 -10.442 -1.276 1.00 0.00 C ATOM 1128 C TYR A 76 3.146 -9.118 -0.874 1.00 0.00 C ATOM 1129 O TYR A 76 3.255 -8.810 0.311 1.00 0.00 O ATOM 1130 CB TYR A 76 1.040 -10.446 -0.794 1.00 0.00 C ATOM 1131 CG TYR A 76 0.055 -11.060 -1.791 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.022 -12.431 -1.930 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.757 -10.242 -2.551 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -0.950 -13.008 -2.868 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.684 -10.820 -3.489 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.734 -12.174 -3.602 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.610 -12.719 -4.488 1.00 0.00 O ATOM 0 H TYR A 76 2.657 -11.899 0.220 1.00 0.00 H new ATOM 0 HA TYR A 76 2.573 -10.537 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.981 -10.996 0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.735 -9.421 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.613 -13.071 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.697 -9.169 -2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.022 -14.079 -2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.325 -10.192 -4.089 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.104 -12.004 -4.941 1.00 0.00 H new ATOM 1147 N GLU A 77 3.564 -8.371 -1.885 1.00 0.00 N ATOM 1148 CA GLU A 77 4.204 -7.087 -1.653 1.00 0.00 C ATOM 1149 C GLU A 77 3.159 -5.970 -1.622 1.00 0.00 C ATOM 1150 O GLU A 77 1.965 -6.229 -1.766 1.00 0.00 O ATOM 1151 CB GLU A 77 5.274 -6.808 -2.711 1.00 0.00 C ATOM 1152 CG GLU A 77 6.600 -7.472 -2.337 1.00 0.00 C ATOM 1153 CD GLU A 77 7.368 -7.906 -3.588 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.698 -8.390 -4.525 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.607 -7.743 -3.578 1.00 0.00 O ATOM 0 H GLU A 77 3.472 -8.630 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 77 4.700 -7.121 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.938 -7.178 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.418 -5.732 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.207 -6.778 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.411 -8.338 -1.703 1.00 0.00 H new ATOM 1162 N PHE A 78 3.646 -4.753 -1.433 1.00 0.00 N ATOM 1163 CA PHE A 78 2.769 -3.596 -1.381 1.00 0.00 C ATOM 1164 C PHE A 78 3.557 -2.300 -1.584 1.00 0.00 C ATOM 1165 O PHE A 78 4.714 -2.203 -1.177 1.00 0.00 O ATOM 1166 CB PHE A 78 2.132 -3.579 0.010 1.00 0.00 C ATOM 1167 CG PHE A 78 1.372 -4.859 0.363 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.056 -4.978 0.041 1.00 0.00 C ATOM 1169 CD2 PHE A 78 2.012 -5.877 0.997 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.650 -6.166 0.368 1.00 0.00 C ATOM 1171 CE2 PHE A 78 1.306 -7.065 1.324 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.010 -7.184 1.003 1.00 0.00 C ATOM 0 H PHE A 78 4.637 -4.543 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 78 2.020 -3.662 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.912 -3.415 0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.448 -2.733 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.452 -4.169 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.057 -5.782 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.695 -6.261 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.814 -7.874 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.547 -8.087 1.252 1.00 0.00 H new ATOM 1182 N ARG A 79 2.900 -1.338 -2.214 1.00 0.00 N ATOM 1183 CA ARG A 79 3.525 -0.052 -2.476 1.00 0.00 C ATOM 1184 C ARG A 79 2.467 1.051 -2.529 1.00 0.00 C ATOM 1185 O ARG A 79 1.472 0.929 -3.242 1.00 0.00 O ATOM 1186 CB ARG A 79 4.296 -0.074 -3.797 1.00 0.00 C ATOM 1187 CG ARG A 79 3.339 -0.149 -4.989 1.00 0.00 C ATOM 1188 CD ARG A 79 4.080 -0.564 -6.262 1.00 0.00 C ATOM 1189 NE ARG A 79 3.525 0.158 -7.429 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.779 -0.168 -8.704 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.580 -1.205 -8.983 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.231 0.544 -9.698 1.00 0.00 N ATOM 0 H ARG A 79 1.941 -1.423 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 79 4.224 0.149 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.913 0.821 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.971 -0.929 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.544 -0.864 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.864 0.820 -5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.143 -0.346 -6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.988 -1.640 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 79 2.911 0.953 -7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.996 -1.746 -8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.773 -1.453 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.621 1.333 -9.484 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.424 0.297 -10.669 1.00 0.00 H new ATOM 1206 N LEU A 80 2.718 2.105 -1.765 1.00 0.00 N ATOM 1207 CA LEU A 80 1.799 3.229 -1.716 1.00 0.00 C ATOM 1208 C LEU A 80 2.360 4.378 -2.557 1.00 0.00 C ATOM 1209 O LEU A 80 3.539 4.712 -2.450 1.00 0.00 O ATOM 1210 CB LEU A 80 1.503 3.617 -0.266 1.00 0.00 C ATOM 1211 CG LEU A 80 0.046 3.954 0.054 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.908 2.977 -0.637 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.185 4.008 1.566 1.00 0.00 C ATOM 0 H LEU A 80 3.544 2.204 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 80 0.838 2.954 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.816 2.796 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.119 4.478 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.169 4.947 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.937 3.239 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.766 3.032 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.701 1.963 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.229 4.249 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.054 3.040 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.455 4.773 2.005 1.00 0.00 H new ATOM 1225 N VAL A 81 1.489 4.949 -3.376 1.00 0.00 N ATOM 1226 CA VAL A 81 1.883 6.053 -4.235 1.00 0.00 C ATOM 1227 C VAL A 81 0.944 7.238 -4.000 1.00 0.00 C ATOM 1228 O VAL A 81 -0.204 7.222 -4.442 1.00 0.00 O ATOM 1229 CB VAL A 81 1.914 5.595 -5.695 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.978 6.358 -6.487 1.00 0.00 C ATOM 1231 CG2 VAL A 81 2.136 4.085 -5.791 1.00 0.00 C ATOM 0 H VAL A 81 0.512 4.668 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 81 2.892 6.385 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 81 0.943 5.819 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.979 6.013 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.756 7.425 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.958 6.180 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.154 3.786 -6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.086 3.826 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.326 3.565 -5.279 1.00 0.00 H new ATOM 1241 N ALA A 82 1.465 8.237 -3.303 1.00 0.00 N ATOM 1242 CA ALA A 82 0.688 9.427 -3.004 1.00 0.00 C ATOM 1243 C ALA A 82 0.608 10.307 -4.253 1.00 0.00 C ATOM 1244 O ALA A 82 1.608 10.888 -4.672 1.00 0.00 O ATOM 1245 CB ALA A 82 1.311 10.158 -1.814 1.00 0.00 C ATOM 0 H ALA A 82 2.417 8.246 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.331 9.159 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.728 11.051 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.316 9.500 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.334 10.445 -2.058 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.590 10.377 -4.813 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.813 11.177 -6.006 1.00 0.00 C ATOM 1253 C PHE A 83 -1.865 12.258 -5.752 1.00 0.00 C ATOM 1254 O PHE A 83 -2.953 11.967 -5.258 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.326 10.228 -7.091 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.619 9.499 -6.720 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.810 10.152 -6.787 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -2.577 8.199 -6.324 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.010 9.475 -6.443 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -3.777 7.523 -5.979 1.00 0.00 C ATOM 1261 CZ PHE A 83 -4.969 8.175 -6.046 1.00 0.00 C ATOM 0 H PHE A 83 -1.417 9.893 -4.463 1.00 0.00 H new ATOM 0 HA PHE A 83 0.113 11.671 -6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.491 10.795 -8.007 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.554 9.490 -7.308 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.843 11.185 -7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.631 7.681 -6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.956 9.993 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.743 6.491 -5.663 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.882 7.661 -5.784 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.503 13.484 -6.102 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.403 14.611 -5.919 1.00 0.00 C ATOM 1273 C ALA A 84 -2.819 15.153 -7.288 1.00 0.00 C ATOM 1274 O ALA A 84 -2.017 15.774 -7.983 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.721 15.672 -5.054 1.00 0.00 C ATOM 0 H ALA A 84 -0.599 13.722 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.309 14.299 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.395 16.517 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.472 15.245 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.809 16.011 -5.546 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.073 14.898 -7.633 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.605 15.354 -8.906 1.00 0.00 C ATOM 1283 C GLY A 85 -3.662 14.993 -10.056 1.00 0.00 C ATOM 1284 O GLY A 85 -3.481 13.817 -10.368 1.00 0.00 O ATOM 0 H GLY A 85 -4.735 14.382 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.583 14.904 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.752 16.434 -8.877 1.00 0.00 H new ATOM 1288 N SER A 86 -3.087 16.026 -10.653 1.00 0.00 N ATOM 1289 CA SER A 86 -2.167 15.832 -11.761 1.00 0.00 C ATOM 1290 C SER A 86 -0.806 15.371 -11.237 1.00 0.00 C ATOM 1291 O SER A 86 -0.056 14.704 -11.948 1.00 0.00 O ATOM 1292 CB SER A 86 -2.013 17.115 -12.580 1.00 0.00 C ATOM 1293 OG SER A 86 -1.975 16.854 -13.980 1.00 0.00 O ATOM 0 H SER A 86 -3.240 17.000 -10.391 1.00 0.00 H new ATOM 0 HA SER A 86 -2.577 15.062 -12.415 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.842 17.788 -12.359 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.098 17.628 -12.282 1.00 0.00 H new ATOM 0 HG SER A 86 -1.878 17.698 -14.468 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.528 15.745 -9.996 1.00 0.00 N ATOM 1300 CA PHE A 87 0.730 15.377 -9.369 1.00 0.00 C ATOM 1301 C PHE A 87 0.701 13.924 -8.890 1.00 0.00 C ATOM 1302 O PHE A 87 -0.272 13.489 -8.276 1.00 0.00 O ATOM 1303 CB PHE A 87 0.911 16.296 -8.159 1.00 0.00 C ATOM 1304 CG PHE A 87 0.962 17.785 -8.510 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.193 18.493 -8.638 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.160 18.400 -8.694 1.00 0.00 C ATOM 1307 CE1 PHE A 87 -0.146 19.874 -8.964 1.00 0.00 C ATOM 1308 CE2 PHE A 87 2.207 19.781 -9.021 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.053 20.489 -9.148 1.00 0.00 C ATOM 0 H PHE A 87 -1.152 16.298 -9.409 1.00 0.00 H new ATOM 0 HA PHE A 87 1.546 15.479 -10.085 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.092 16.126 -7.461 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.832 16.023 -7.643 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.145 18.005 -8.492 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.077 17.838 -8.591 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.062 20.436 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.159 20.269 -9.169 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.089 21.540 -9.395 1.00 0.00 H new ATOM 1319 N VAL A 88 1.779 13.214 -9.190 1.00 0.00 N ATOM 1320 CA VAL A 88 1.889 11.819 -8.799 1.00 0.00 C ATOM 1321 C VAL A 88 3.249 11.585 -8.139 1.00 0.00 C ATOM 1322 O VAL A 88 4.288 11.872 -8.731 1.00 0.00 O ATOM 1323 CB VAL A 88 1.648 10.916 -10.010 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.420 9.602 -9.875 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.154 10.655 -10.211 1.00 0.00 C ATOM 0 H VAL A 88 2.584 13.579 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 88 1.124 11.566 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 88 2.019 11.435 -10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.232 8.978 -10.749 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.487 9.813 -9.803 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.092 9.078 -8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.011 10.011 -11.078 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.253 10.167 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.362 11.601 -10.373 1.00 0.00 H new ATOM 1335 N SER A 89 3.199 11.066 -6.921 1.00 0.00 N ATOM 1336 CA SER A 89 4.414 10.789 -6.174 1.00 0.00 C ATOM 1337 C SER A 89 4.879 9.356 -6.442 1.00 0.00 C ATOM 1338 O SER A 89 4.139 8.557 -7.014 1.00 0.00 O ATOM 1339 CB SER A 89 4.201 11.006 -4.675 1.00 0.00 C ATOM 1340 OG SER A 89 3.662 9.850 -4.040 1.00 0.00 O ATOM 0 H SER A 89 2.335 10.830 -6.433 1.00 0.00 H new ATOM 0 HA SER A 89 5.186 11.483 -6.508 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.151 11.267 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.528 11.850 -4.523 1.00 0.00 H new ATOM 0 HG SER A 89 2.849 9.568 -4.509 1.00 0.00 H new ATOM 1346 N ASP A 90 6.101 9.075 -6.017 1.00 0.00 N ATOM 1347 CA ASP A 90 6.673 7.753 -6.203 1.00 0.00 C ATOM 1348 C ASP A 90 6.098 6.800 -5.154 1.00 0.00 C ATOM 1349 O ASP A 90 5.634 7.237 -4.102 1.00 0.00 O ATOM 1350 CB ASP A 90 8.194 7.781 -6.033 1.00 0.00 C ATOM 1351 CG ASP A 90 8.983 8.054 -7.315 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.804 7.267 -8.270 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.748 9.042 -7.311 1.00 0.00 O ATOM 0 H ASP A 90 6.712 9.741 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 90 6.429 7.420 -7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.448 8.545 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.516 6.824 -5.623 1.00 0.00 H new ATOM 1358 N PRO A 91 6.148 5.482 -5.485 1.00 0.00 N ATOM 1359 CA PRO A 91 5.637 4.464 -4.583 1.00 0.00 C ATOM 1360 C PRO A 91 6.593 4.241 -3.410 1.00 0.00 C ATOM 1361 O PRO A 91 7.686 3.704 -3.588 1.00 0.00 O ATOM 1362 CB PRO A 91 5.459 3.226 -5.448 1.00 0.00 C ATOM 1363 CG PRO A 91 6.308 3.457 -6.687 1.00 0.00 C ATOM 1364 CD PRO A 91 6.690 4.928 -6.722 1.00 0.00 C ATOM 0 HA PRO A 91 4.693 4.749 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.779 2.329 -4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.412 3.083 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.200 2.831 -6.661 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.754 3.185 -7.586 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.771 5.055 -6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.270 5.425 -7.596 1.00 0.00 H new ATOM 1372 N SER A 92 6.148 4.664 -2.236 1.00 0.00 N ATOM 1373 CA SER A 92 6.950 4.517 -1.034 1.00 0.00 C ATOM 1374 C SER A 92 7.569 3.119 -0.985 1.00 0.00 C ATOM 1375 O SER A 92 7.218 2.253 -1.785 1.00 0.00 O ATOM 1376 CB SER A 92 6.113 4.771 0.222 1.00 0.00 C ATOM 1377 OG SER A 92 4.935 3.970 0.249 1.00 0.00 O ATOM 0 H SER A 92 5.242 5.109 -2.092 1.00 0.00 H new ATOM 0 HA SER A 92 7.747 5.260 -1.063 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.714 4.562 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.836 5.824 0.266 1.00 0.00 H new ATOM 0 HG SER A 92 4.429 4.160 1.066 1.00 0.00 H new ATOM 1383 N ASN A 93 8.478 2.941 -0.038 1.00 0.00 N ATOM 1384 CA ASN A 93 9.149 1.663 0.126 1.00 0.00 C ATOM 1385 C ASN A 93 8.144 0.532 -0.102 1.00 0.00 C ATOM 1386 O ASN A 93 6.938 0.732 0.031 1.00 0.00 O ATOM 1387 CB ASN A 93 9.715 1.515 1.539 1.00 0.00 C ATOM 1388 CG ASN A 93 8.658 1.857 2.592 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.061 2.921 2.586 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.461 0.899 3.492 1.00 0.00 N ATOM 0 H ASN A 93 8.766 3.661 0.624 1.00 0.00 H new ATOM 0 HA ASN A 93 9.965 1.615 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.066 0.494 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.578 2.170 1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.776 1.031 4.236 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.995 0.032 3.439 1.00 0.00 H new ATOM 1397 N THR A 94 8.678 -0.632 -0.442 1.00 0.00 N ATOM 1398 CA THR A 94 7.843 -1.795 -0.690 1.00 0.00 C ATOM 1399 C THR A 94 7.721 -2.643 0.578 1.00 0.00 C ATOM 1400 O THR A 94 8.714 -2.900 1.256 1.00 0.00 O ATOM 1401 CB THR A 94 8.436 -2.558 -1.876 1.00 0.00 C ATOM 1402 OG1 THR A 94 8.820 -1.534 -2.791 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.382 -3.363 -2.640 1.00 0.00 C ATOM 0 H THR A 94 9.679 -0.795 -0.552 1.00 0.00 H new ATOM 0 HA THR A 94 6.825 -1.504 -0.948 1.00 0.00 H new ATOM 0 HB THR A 94 9.219 -3.228 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.216 -1.941 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.855 -3.885 -3.471 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.922 -4.089 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.617 -2.688 -3.024 1.00 0.00 H new ATOM 1411 N ALA A 95 6.493 -3.055 0.859 1.00 0.00 N ATOM 1412 CA ALA A 95 6.228 -3.869 2.033 1.00 0.00 C ATOM 1413 C ALA A 95 6.001 -5.320 1.602 1.00 0.00 C ATOM 1414 O ALA A 95 5.621 -5.580 0.461 1.00 0.00 O ATOM 1415 CB ALA A 95 5.031 -3.293 2.793 1.00 0.00 C ATOM 0 H ALA A 95 5.671 -2.840 0.294 1.00 0.00 H new ATOM 0 HA ALA A 95 7.082 -3.856 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.832 -3.903 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.253 -2.272 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.154 -3.293 2.145 1.00 0.00 H new ATOM 1421 N ASN A 96 6.244 -6.226 2.537 1.00 0.00 N ATOM 1422 CA ASN A 96 6.072 -7.643 2.269 1.00 0.00 C ATOM 1423 C ASN A 96 5.680 -8.359 3.562 1.00 0.00 C ATOM 1424 O ASN A 96 6.158 -8.008 4.640 1.00 0.00 O ATOM 1425 CB ASN A 96 7.371 -8.269 1.757 1.00 0.00 C ATOM 1426 CG ASN A 96 8.588 -7.470 2.229 1.00 0.00 C ATOM 1427 OD1 ASN A 96 8.578 -6.831 3.268 1.00 0.00 O ATOM 1428 ND2 ASN A 96 9.633 -7.541 1.410 1.00 0.00 N ATOM 0 H ASN A 96 6.559 -6.006 3.482 1.00 0.00 H new ATOM 0 HA ASN A 96 5.297 -7.750 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.447 -9.297 2.110 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.356 -8.306 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.493 -7.042 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.574 -8.095 0.555 1.00 0.00 H new ATOM 1435 N VAL A 97 4.813 -9.350 3.413 1.00 0.00 N ATOM 1436 CA VAL A 97 4.351 -10.119 4.557 1.00 0.00 C ATOM 1437 C VAL A 97 4.528 -11.611 4.268 1.00 0.00 C ATOM 1438 O VAL A 97 4.607 -12.018 3.110 1.00 0.00 O ATOM 1439 CB VAL A 97 2.906 -9.742 4.891 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.672 -8.242 4.696 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.919 -10.564 4.061 1.00 0.00 C ATOM 0 H VAL A 97 4.418 -9.638 2.518 1.00 0.00 H new ATOM 0 HA VAL A 97 4.946 -9.886 5.440 1.00 0.00 H new ATOM 0 HB VAL A 97 2.733 -9.974 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.637 -8.000 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.340 -7.682 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.872 -7.974 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.900 -10.276 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.092 -10.378 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.061 -11.624 4.272 1.00 0.00 H new ATOM 1451 N SER A 98 4.584 -12.386 5.341 1.00 0.00 N ATOM 1452 CA SER A 98 4.750 -13.824 5.217 1.00 0.00 C ATOM 1453 C SER A 98 3.437 -14.533 5.556 1.00 0.00 C ATOM 1454 O SER A 98 2.599 -13.987 6.271 1.00 0.00 O ATOM 1455 CB SER A 98 5.875 -14.329 6.123 1.00 0.00 C ATOM 1456 OG SER A 98 6.248 -15.669 5.816 1.00 0.00 O ATOM 0 H SER A 98 4.517 -12.045 6.300 1.00 0.00 H new ATOM 0 HA SER A 98 5.022 -14.049 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.743 -13.678 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.556 -14.271 7.164 1.00 0.00 H new ATOM 0 HG SER A 98 6.970 -15.953 6.415 1.00 0.00 H new