USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 576 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 8 MET CE :methyl 141:sc= -2.31 (180deg=-4.7!) USER MOD Single : A 9 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 33:sc= 0.568 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.46! C(o=-3.5!,f=-2.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= 0.0123 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 38 SER OG : rot 70:sc= 1.08 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc=-0.00197 (180deg=-0.114) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 47 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.035) USER MOD Single : A 48 GLN : amide:sc= -0.791 X(o=-0.79,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.517) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0.792 (180deg=0.698) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 90:sc= 0.634 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 112:sc= 1.09 USER MOD Single : A 73 LYS NZ :NH3+ -145:sc=-0.00919 (180deg=-1.05) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.126 -13.993 4.951 1.00 0.00 N ATOM 60 CA GLY A 7 5.820 -13.027 3.912 1.00 0.00 C ATOM 61 C GLY A 7 6.850 -11.918 3.830 1.00 0.00 C ATOM 62 O GLY A 7 8.052 -12.173 3.883 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.763 -13.538 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.838 -12.593 4.101 1.00 0.00 H new ATOM 66 N MET A 8 6.377 -10.683 3.700 1.00 0.00 N ATOM 67 CA MET A 8 7.267 -9.530 3.610 1.00 0.00 C ATOM 68 C MET A 8 6.691 -8.339 4.368 1.00 0.00 C ATOM 69 O MET A 8 5.513 -8.330 4.726 1.00 0.00 O ATOM 70 CB MET A 8 7.501 -9.153 2.146 1.00 0.00 C ATOM 71 CG MET A 8 6.233 -8.747 1.412 1.00 0.00 C ATOM 72 SD MET A 8 6.570 -7.867 -0.124 1.00 0.00 S ATOM 73 CE MET A 8 5.105 -6.845 -0.258 1.00 0.00 C ATOM 0 H MET A 8 5.384 -10.454 3.655 1.00 0.00 H new ATOM 0 HA MET A 8 8.220 -9.801 4.065 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.216 -8.331 2.101 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.955 -9.999 1.630 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.643 -9.637 1.194 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.628 -8.115 2.063 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.382 -5.860 -0.634 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.398 -7.310 -0.945 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.642 -6.742 0.723 1.00 0.00 H new ATOM 83 N GLN A 9 7.529 -7.336 4.610 1.00 0.00 N ATOM 84 CA GLN A 9 7.102 -6.140 5.327 1.00 0.00 C ATOM 85 C GLN A 9 7.028 -4.940 4.389 1.00 0.00 C ATOM 86 O GLN A 9 7.860 -4.786 3.494 1.00 0.00 O ATOM 87 CB GLN A 9 8.060 -5.843 6.482 1.00 0.00 C ATOM 88 CG GLN A 9 7.662 -4.630 7.306 1.00 0.00 C ATOM 89 CD GLN A 9 8.758 -4.182 8.253 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.942 -4.407 8.001 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.368 -3.544 9.351 1.00 0.00 N ATOM 0 H GLN A 9 8.507 -7.328 4.320 1.00 0.00 H new ATOM 0 HA GLN A 9 6.106 -6.324 5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.110 -6.715 7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.062 -5.687 6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.408 -3.808 6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.765 -4.864 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.376 -3.379 9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.061 -3.219 10.025 1.00 0.00 H new ATOM 100 N LEU A 10 6.028 -4.092 4.600 1.00 0.00 N ATOM 101 CA LEU A 10 5.845 -2.904 3.772 1.00 0.00 C ATOM 102 C LEU A 10 5.666 -1.660 4.637 1.00 0.00 C ATOM 103 O LEU A 10 5.047 -1.714 5.701 1.00 0.00 O ATOM 104 CB LEU A 10 4.635 -3.079 2.854 1.00 0.00 C ATOM 105 CG LEU A 10 4.848 -3.961 1.623 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.540 -4.156 0.873 1.00 0.00 C ATOM 107 CD2 LEU A 10 5.904 -3.354 0.709 1.00 0.00 C ATOM 0 H LEU A 10 5.331 -4.204 5.337 1.00 0.00 H new ATOM 0 HA LEU A 10 6.739 -2.775 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.817 -3.499 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.313 -2.093 2.518 1.00 0.00 H new ATOM 0 HG LEU A 10 5.201 -4.937 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.711 -4.786 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.812 -4.634 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.157 -3.187 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.043 -3.994 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.579 -2.365 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.847 -3.267 1.250 1.00 0.00 H new ATOM 119 N THR A 11 6.210 -0.539 4.173 1.00 0.00 N ATOM 120 CA THR A 11 6.109 0.718 4.903 1.00 0.00 C ATOM 121 C THR A 11 5.472 1.804 4.043 1.00 0.00 C ATOM 122 O THR A 11 6.081 2.293 3.091 1.00 0.00 O ATOM 123 CB THR A 11 7.491 1.202 5.381 1.00 0.00 C ATOM 124 OG1 THR A 11 8.296 0.083 5.767 1.00 0.00 O ATOM 125 CG2 THR A 11 7.352 2.162 6.553 1.00 0.00 C ATOM 0 H THR A 11 6.725 -0.477 3.295 1.00 0.00 H new ATOM 0 HA THR A 11 5.478 0.530 5.771 1.00 0.00 H new ATOM 0 HB THR A 11 7.973 1.727 4.556 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.173 0.399 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.341 2.490 6.873 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.764 3.027 6.247 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.852 1.657 7.379 1.00 0.00 H new ATOM 133 N VAL A 12 4.243 2.177 4.384 1.00 0.00 N ATOM 134 CA VAL A 12 3.524 3.207 3.643 1.00 0.00 C ATOM 135 C VAL A 12 3.804 4.592 4.215 1.00 0.00 C ATOM 136 O VAL A 12 3.434 4.893 5.350 1.00 0.00 O ATOM 137 CB VAL A 12 2.004 2.953 3.661 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.254 4.174 3.150 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.660 1.722 2.836 1.00 0.00 C ATOM 0 H VAL A 12 3.724 1.782 5.168 1.00 0.00 H new ATOM 0 HA VAL A 12 3.880 3.164 2.614 1.00 0.00 H new ATOM 0 HB VAL A 12 1.695 2.770 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.182 3.977 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.477 5.031 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.565 4.390 2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.583 1.557 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.981 1.873 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.169 0.852 3.251 1.00 0.00 H new ATOM 149 N LYS A 13 4.459 5.432 3.422 1.00 0.00 N ATOM 150 CA LYS A 13 4.788 6.788 3.847 1.00 0.00 C ATOM 151 C LYS A 13 3.875 7.806 3.173 1.00 0.00 C ATOM 152 O LYS A 13 3.641 7.741 1.966 1.00 0.00 O ATOM 153 CB LYS A 13 6.250 7.105 3.525 1.00 0.00 C ATOM 154 CG LYS A 13 6.737 8.409 4.131 1.00 0.00 C ATOM 155 CD LYS A 13 6.502 9.582 3.194 1.00 0.00 C ATOM 156 CE LYS A 13 7.018 10.883 3.789 1.00 0.00 C ATOM 157 NZ LYS A 13 8.474 11.068 3.540 1.00 0.00 N ATOM 0 H LYS A 13 4.773 5.198 2.480 1.00 0.00 H new ATOM 0 HA LYS A 13 4.638 6.851 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.878 6.290 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.374 7.148 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.222 8.587 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.800 8.331 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.999 9.394 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.436 9.674 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.467 11.721 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.829 10.891 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.787 11.966 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.002 10.282 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.651 11.086 2.515 1.00 0.00 H new ATOM 171 N ALA A 14 3.363 8.748 3.959 1.00 0.00 N ATOM 172 CA ALA A 14 2.479 9.782 3.436 1.00 0.00 C ATOM 173 C ALA A 14 3.257 11.050 3.098 1.00 0.00 C ATOM 174 O ALA A 14 4.210 11.408 3.790 1.00 0.00 O ATOM 175 CB ALA A 14 1.376 10.089 4.438 1.00 0.00 C ATOM 0 H ALA A 14 3.546 8.816 4.960 1.00 0.00 H new ATOM 0 HA ALA A 14 2.027 9.409 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.723 10.863 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.795 9.186 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.819 10.438 5.371 1.00 0.00 H new ATOM 224 N ARG A 18 2.581 11.267 7.851 1.00 0.00 N ATOM 225 CA ARG A 18 2.841 10.125 8.719 1.00 0.00 C ATOM 226 C ARG A 18 3.102 8.866 7.897 1.00 0.00 C ATOM 227 O ARG A 18 3.070 8.899 6.668 1.00 0.00 O ATOM 228 CB ARG A 18 1.659 9.895 9.662 1.00 0.00 C ATOM 229 CG ARG A 18 1.589 10.893 10.807 1.00 0.00 C ATOM 230 CD ARG A 18 0.605 10.447 11.876 1.00 0.00 C ATOM 231 NE ARG A 18 -0.780 10.686 11.479 1.00 0.00 N ATOM 232 CZ ARG A 18 -1.793 10.735 12.337 1.00 0.00 C ATOM 233 NH1 ARG A 18 -1.576 10.563 13.634 1.00 0.00 N ATOM 234 NH2 ARG A 18 -3.025 10.957 11.899 1.00 0.00 N ATOM 0 HA ARG A 18 3.731 10.344 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.733 9.947 9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.724 8.888 10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.578 11.011 11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.293 11.869 10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.746 9.385 12.078 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.813 10.979 12.805 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.981 10.823 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.630 10.393 13.975 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.355 10.601 14.291 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.196 11.090 10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.802 10.994 12.559 1.00 0.00 H new ATOM 248 N GLU A 19 3.360 7.759 8.586 1.00 0.00 N ATOM 249 CA GLU A 19 3.628 6.490 7.919 1.00 0.00 C ATOM 250 C GLU A 19 3.160 5.316 8.774 1.00 0.00 C ATOM 251 O GLU A 19 2.807 5.487 9.942 1.00 0.00 O ATOM 252 CB GLU A 19 5.122 6.352 7.619 1.00 0.00 C ATOM 253 CG GLU A 19 6.007 6.521 8.842 1.00 0.00 C ATOM 254 CD GLU A 19 6.358 7.971 9.113 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.068 8.575 8.282 1.00 0.00 O ATOM 256 OE2 GLU A 19 5.923 8.502 10.156 1.00 0.00 O ATOM 0 H GLU A 19 3.389 7.715 9.605 1.00 0.00 H new ATOM 0 HA GLU A 19 3.073 6.478 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.307 5.371 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.404 7.094 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.500 6.105 9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.924 5.949 8.704 1.00 0.00 H new ATOM 263 N CYS A 20 3.158 4.126 8.184 1.00 0.00 N ATOM 264 CA CYS A 20 2.731 2.923 8.890 1.00 0.00 C ATOM 265 C CYS A 20 3.269 1.671 8.206 1.00 0.00 C ATOM 266 O CYS A 20 3.352 1.609 6.979 1.00 0.00 O ATOM 267 CB CYS A 20 1.205 2.864 8.963 1.00 0.00 C ATOM 268 SG CYS A 20 0.499 3.719 10.391 1.00 0.00 S ATOM 0 H CYS A 20 3.447 3.968 7.219 1.00 0.00 H new ATOM 0 HA CYS A 20 3.134 2.963 9.902 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.792 3.298 8.053 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.894 1.820 8.988 1.00 0.00 H new ATOM 0 HG CYS A 20 1.233 4.751 10.686 1.00 0.00 H new ATOM 274 N SER A 21 3.636 0.676 9.007 1.00 0.00 N ATOM 275 CA SER A 21 4.172 -0.573 8.479 1.00 0.00 C ATOM 276 C SER A 21 3.174 -1.712 8.662 1.00 0.00 C ATOM 277 O SER A 21 2.321 -1.670 9.550 1.00 0.00 O ATOM 278 CB SER A 21 5.492 -0.919 9.171 1.00 0.00 C ATOM 279 OG SER A 21 5.266 -1.431 10.473 1.00 0.00 O ATOM 0 H SER A 21 3.572 0.711 10.024 1.00 0.00 H new ATOM 0 HA SER A 21 4.354 -0.440 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.036 -1.654 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.119 -0.030 9.230 1.00 0.00 H new ATOM 0 HG SER A 21 6.125 -1.646 10.894 1.00 0.00 H new ATOM 285 N LEU A 22 3.288 -2.731 7.817 1.00 0.00 N ATOM 286 CA LEU A 22 2.396 -3.884 7.884 1.00 0.00 C ATOM 287 C LEU A 22 3.082 -5.135 7.345 1.00 0.00 C ATOM 288 O LEU A 22 4.110 -5.049 6.672 1.00 0.00 O ATOM 289 CB LEU A 22 1.116 -3.610 7.093 1.00 0.00 C ATOM 290 CG LEU A 22 -0.008 -2.909 7.858 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.915 -2.154 6.899 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.808 -3.915 8.671 1.00 0.00 C ATOM 0 H LEU A 22 3.989 -2.782 7.078 1.00 0.00 H new ATOM 0 HA LEU A 22 2.140 -4.054 8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.372 -3.002 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.735 -4.559 6.716 1.00 0.00 H new ATOM 0 HG LEU A 22 0.439 -2.191 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.709 -1.662 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.333 -1.406 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.354 -2.853 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.603 -3.398 9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.245 -4.658 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.150 -4.411 9.385 1.00 0.00 H new ATOM 304 N GLN A 23 2.506 -6.295 7.643 1.00 0.00 N ATOM 305 CA GLN A 23 3.062 -7.563 7.186 1.00 0.00 C ATOM 306 C GLN A 23 2.141 -8.226 6.167 1.00 0.00 C ATOM 307 O GLN A 23 0.992 -8.545 6.469 1.00 0.00 O ATOM 308 CB GLN A 23 3.288 -8.502 8.373 1.00 0.00 C ATOM 309 CG GLN A 23 2.174 -8.455 9.406 1.00 0.00 C ATOM 310 CD GLN A 23 2.204 -7.190 10.241 1.00 0.00 C ATOM 311 OE1 GLN A 23 3.219 -6.864 10.858 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.090 -6.469 10.264 1.00 0.00 N ATOM 0 H GLN A 23 1.655 -6.383 8.199 1.00 0.00 H new ATOM 0 HA GLN A 23 4.019 -7.359 6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.388 -9.523 8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.231 -8.244 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.211 -8.529 8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.256 -9.321 10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.272 -6.777 9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.052 -5.607 10.808 1.00 0.00 H new ATOM 321 N VAL A 24 2.654 -8.428 4.958 1.00 0.00 N ATOM 322 CA VAL A 24 1.878 -9.054 3.893 1.00 0.00 C ATOM 323 C VAL A 24 2.783 -9.805 2.922 1.00 0.00 C ATOM 324 O VAL A 24 3.933 -9.432 2.692 1.00 0.00 O ATOM 325 CB VAL A 24 1.057 -8.012 3.111 1.00 0.00 C ATOM 326 CG1 VAL A 24 0.057 -7.323 4.027 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.977 -6.994 2.452 1.00 0.00 C ATOM 0 H VAL A 24 3.603 -8.168 4.691 1.00 0.00 H new ATOM 0 HA VAL A 24 1.197 -9.759 4.370 1.00 0.00 H new ATOM 0 HB VAL A 24 0.501 -8.527 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.514 -6.590 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.622 -8.065 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.590 -6.820 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.380 -6.265 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.561 -6.483 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.650 -7.504 1.763 1.00 0.00 H new ATOM 337 N PRO A 25 2.252 -10.889 2.338 1.00 0.00 N ATOM 338 CA PRO A 25 2.994 -11.715 1.381 1.00 0.00 C ATOM 339 C PRO A 25 3.232 -10.997 0.057 1.00 0.00 C ATOM 340 O PRO A 25 2.427 -10.165 -0.361 1.00 0.00 O ATOM 341 CB PRO A 25 2.081 -12.926 1.175 1.00 0.00 C ATOM 342 CG PRO A 25 0.713 -12.427 1.489 1.00 0.00 C ATOM 343 CD PRO A 25 0.887 -11.391 2.565 1.00 0.00 C ATOM 0 HA PRO A 25 3.988 -11.970 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.142 -13.298 0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.362 -13.750 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.242 -11.996 0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.070 -13.239 1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.147 -10.595 2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.778 -11.823 3.560 1.00 0.00 H new ATOM 351 N GLU A 26 4.341 -11.324 -0.598 1.00 0.00 N ATOM 352 CA GLU A 26 4.684 -10.708 -1.875 1.00 0.00 C ATOM 353 C GLU A 26 3.582 -10.942 -2.904 1.00 0.00 C ATOM 354 O GLU A 26 3.454 -10.194 -3.874 1.00 0.00 O ATOM 355 CB GLU A 26 6.010 -11.266 -2.396 1.00 0.00 C ATOM 356 CG GLU A 26 5.962 -12.750 -2.717 1.00 0.00 C ATOM 357 CD GLU A 26 7.315 -13.421 -2.583 1.00 0.00 C ATOM 358 OE1 GLU A 26 8.315 -12.841 -3.055 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.374 -14.526 -2.004 1.00 0.00 O ATOM 0 H GLU A 26 5.017 -12.012 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 26 4.788 -9.635 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.298 -10.718 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.786 -11.089 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.251 -13.239 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.592 -12.886 -3.733 1.00 0.00 H new ATOM 366 N ASP A 27 2.789 -11.985 -2.687 1.00 0.00 N ATOM 367 CA ASP A 27 1.697 -12.318 -3.594 1.00 0.00 C ATOM 368 C ASP A 27 0.369 -11.786 -3.065 1.00 0.00 C ATOM 369 O ASP A 27 -0.696 -12.304 -3.402 1.00 0.00 O ATOM 370 CB ASP A 27 1.612 -13.833 -3.791 1.00 0.00 C ATOM 371 CG ASP A 27 2.007 -14.601 -2.545 1.00 0.00 C ATOM 372 OD1 ASP A 27 1.250 -14.551 -1.552 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.072 -15.253 -2.562 1.00 0.00 O ATOM 0 H ASP A 27 2.882 -12.615 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 27 1.900 -11.846 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.595 -14.103 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.261 -14.126 -4.616 1.00 0.00 H new ATOM 378 N GLU A 28 0.440 -10.751 -2.234 1.00 0.00 N ATOM 379 CA GLU A 28 -0.757 -10.151 -1.657 1.00 0.00 C ATOM 380 C GLU A 28 -1.469 -9.268 -2.678 1.00 0.00 C ATOM 381 O GLU A 28 -0.840 -8.459 -3.361 1.00 0.00 O ATOM 382 CB GLU A 28 -0.396 -9.329 -0.418 1.00 0.00 C ATOM 383 CG GLU A 28 -1.603 -8.882 0.388 1.00 0.00 C ATOM 384 CD GLU A 28 -2.159 -9.985 1.267 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.149 -11.155 0.830 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.606 -9.678 2.393 1.00 0.00 O ATOM 0 H GLU A 28 1.314 -10.311 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.432 -10.956 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.259 -9.920 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.170 -8.450 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.325 -8.032 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.382 -8.537 -0.292 1.00 0.00 H new ATOM 393 N LEU A 29 -2.784 -9.429 -2.776 1.00 0.00 N ATOM 394 CA LEU A 29 -3.583 -8.647 -3.713 1.00 0.00 C ATOM 395 C LEU A 29 -3.599 -7.174 -3.317 1.00 0.00 C ATOM 396 O LEU A 29 -3.718 -6.838 -2.139 1.00 0.00 O ATOM 397 CB LEU A 29 -5.012 -9.188 -3.769 1.00 0.00 C ATOM 398 CG LEU A 29 -5.152 -10.706 -3.883 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.580 -11.135 -3.584 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.729 -11.179 -5.266 1.00 0.00 C ATOM 0 H LEU A 29 -3.320 -10.094 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.130 -8.733 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.538 -8.861 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.519 -8.732 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.494 -11.168 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.660 -12.219 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.847 -10.831 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.258 -10.663 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.835 -12.262 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.360 -10.708 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.688 -10.906 -5.441 1.00 0.00 H new ATOM 412 N VAL A 30 -3.481 -6.298 -4.310 1.00 0.00 N ATOM 413 CA VAL A 30 -3.486 -4.861 -4.067 1.00 0.00 C ATOM 414 C VAL A 30 -4.779 -4.423 -3.388 1.00 0.00 C ATOM 415 O VAL A 30 -4.803 -3.435 -2.654 1.00 0.00 O ATOM 416 CB VAL A 30 -3.312 -4.069 -5.376 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.192 -2.580 -5.089 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.100 -4.571 -6.145 1.00 0.00 C ATOM 0 H VAL A 30 -3.381 -6.559 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.643 -4.649 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.196 -4.225 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.070 -2.037 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.093 -2.233 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.327 -2.401 -4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.992 -4.000 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.205 -4.447 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.233 -5.626 -6.385 1.00 0.00 H new ATOM 428 N SER A 31 -5.853 -5.164 -3.639 1.00 0.00 N ATOM 429 CA SER A 31 -7.152 -4.851 -3.055 1.00 0.00 C ATOM 430 C SER A 31 -7.112 -4.989 -1.536 1.00 0.00 C ATOM 431 O SER A 31 -7.672 -4.166 -0.810 1.00 0.00 O ATOM 432 CB SER A 31 -8.230 -5.769 -3.634 1.00 0.00 C ATOM 433 OG SER A 31 -9.514 -5.180 -3.523 1.00 0.00 O ATOM 0 H SER A 31 -5.849 -5.986 -4.243 1.00 0.00 H new ATOM 0 HA SER A 31 -7.394 -3.817 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.011 -5.977 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.218 -6.725 -3.110 1.00 0.00 H new ATOM 0 HG SER A 31 -10.185 -5.785 -3.902 1.00 0.00 H new ATOM 439 N THR A 32 -6.446 -6.037 -1.060 1.00 0.00 N ATOM 440 CA THR A 32 -6.333 -6.285 0.371 1.00 0.00 C ATOM 441 C THR A 32 -5.166 -5.511 0.973 1.00 0.00 C ATOM 442 O THR A 32 -5.207 -5.111 2.138 1.00 0.00 O ATOM 443 CB THR A 32 -6.147 -7.785 0.668 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.341 -8.502 0.335 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.808 -8.008 2.134 1.00 0.00 C ATOM 0 H THR A 32 -5.977 -6.728 -1.646 1.00 0.00 H new ATOM 0 HA THR A 32 -7.264 -5.945 0.825 1.00 0.00 H new ATOM 0 HB THR A 32 -5.321 -8.154 0.060 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.214 -9.455 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.681 -9.075 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.883 -7.485 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.616 -7.625 2.757 1.00 0.00 H new ATOM 453 N LEU A 33 -4.126 -5.301 0.174 1.00 0.00 N ATOM 454 CA LEU A 33 -2.946 -4.573 0.628 1.00 0.00 C ATOM 455 C LEU A 33 -3.318 -3.167 1.087 1.00 0.00 C ATOM 456 O LEU A 33 -2.692 -2.611 1.991 1.00 0.00 O ATOM 457 CB LEU A 33 -1.907 -4.498 -0.492 1.00 0.00 C ATOM 458 CG LEU A 33 -1.064 -5.755 -0.710 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.560 -5.818 -2.144 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.101 -5.794 0.268 1.00 0.00 C ATOM 0 H LEU A 33 -4.076 -5.625 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.520 -5.111 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.422 -4.264 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.235 -3.666 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.694 -6.626 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.038 -6.719 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.409 -5.839 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.053 -4.941 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.689 -6.696 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.730 -4.917 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.281 -5.798 1.289 1.00 0.00 H new ATOM 472 N LYS A 34 -4.341 -2.596 0.460 1.00 0.00 N ATOM 473 CA LYS A 34 -4.799 -1.256 0.806 1.00 0.00 C ATOM 474 C LYS A 34 -5.772 -1.299 1.981 1.00 0.00 C ATOM 475 O LYS A 34 -5.534 -0.680 3.017 1.00 0.00 O ATOM 476 CB LYS A 34 -5.471 -0.597 -0.401 1.00 0.00 C ATOM 477 CG LYS A 34 -4.506 -0.261 -1.525 1.00 0.00 C ATOM 478 CD LYS A 34 -5.217 -0.186 -2.866 1.00 0.00 C ATOM 479 CE LYS A 34 -4.494 0.744 -3.829 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.026 0.630 -5.215 1.00 0.00 N ATOM 0 H LYS A 34 -4.869 -3.041 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.930 -0.667 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.245 -1.263 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.969 0.316 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.020 0.692 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.721 -1.016 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.282 -1.183 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.239 0.164 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.595 1.773 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.429 0.511 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.242 0.701 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.502 -0.288 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.706 1.397 -5.390 1.00 0.00 H new ATOM 494 N GLN A 35 -6.865 -2.036 1.811 1.00 0.00 N ATOM 495 CA GLN A 35 -7.872 -2.161 2.858 1.00 0.00 C ATOM 496 C GLN A 35 -7.217 -2.342 4.224 1.00 0.00 C ATOM 497 O GLN A 35 -7.788 -1.972 5.251 1.00 0.00 O ATOM 498 CB GLN A 35 -8.801 -3.340 2.564 1.00 0.00 C ATOM 499 CG GLN A 35 -9.727 -3.104 1.382 1.00 0.00 C ATOM 500 CD GLN A 35 -10.578 -4.316 1.057 1.00 0.00 C ATOM 501 OE1 GLN A 35 -10.613 -5.286 1.815 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.270 -4.267 -0.075 1.00 0.00 N ATOM 0 H GLN A 35 -7.076 -2.555 0.959 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.458 -1.242 2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.198 -4.228 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.401 -3.548 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.377 -2.256 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.133 -2.836 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.211 -3.443 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.860 -5.053 -0.346 1.00 0.00 H new ATOM 511 N LEU A 36 -6.018 -2.912 4.228 1.00 0.00 N ATOM 512 CA LEU A 36 -5.285 -3.143 5.468 1.00 0.00 C ATOM 513 C LEU A 36 -4.776 -1.829 6.053 1.00 0.00 C ATOM 514 O LEU A 36 -4.910 -1.577 7.250 1.00 0.00 O ATOM 515 CB LEU A 36 -4.112 -4.093 5.221 1.00 0.00 C ATOM 516 CG LEU A 36 -4.469 -5.569 5.042 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.284 -6.341 4.485 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.928 -6.171 6.362 1.00 0.00 C ATOM 0 H LEU A 36 -5.532 -3.223 3.387 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.968 -3.598 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.581 -3.758 4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.418 -4.007 6.057 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.290 -5.640 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.557 -7.389 4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.002 -5.926 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.442 -6.262 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.178 -7.222 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.128 -6.087 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.807 -5.636 6.720 1.00 0.00 H new ATOM 530 N VAL A 37 -4.194 -0.994 5.199 1.00 0.00 N ATOM 531 CA VAL A 37 -3.668 0.296 5.629 1.00 0.00 C ATOM 532 C VAL A 37 -4.795 1.251 6.005 1.00 0.00 C ATOM 533 O VAL A 37 -4.651 2.071 6.913 1.00 0.00 O ATOM 534 CB VAL A 37 -2.804 0.945 4.531 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.200 2.250 5.028 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.717 -0.015 4.072 1.00 0.00 C ATOM 0 H VAL A 37 -4.075 -1.188 4.205 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.047 0.108 6.505 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.442 1.171 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.593 2.694 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.999 2.939 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.575 2.053 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.116 0.460 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.079 -0.274 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.175 -0.920 3.673 1.00 0.00 H new ATOM 546 N SER A 38 -5.917 1.140 5.302 1.00 0.00 N ATOM 547 CA SER A 38 -7.069 1.996 5.560 1.00 0.00 C ATOM 548 C SER A 38 -7.429 1.991 7.042 1.00 0.00 C ATOM 549 O SER A 38 -7.661 3.042 7.639 1.00 0.00 O ATOM 550 CB SER A 38 -8.269 1.535 4.730 1.00 0.00 C ATOM 551 OG SER A 38 -9.489 1.848 5.381 1.00 0.00 O ATOM 0 H SER A 38 -6.053 0.466 4.549 1.00 0.00 H new ATOM 0 HA SER A 38 -6.806 3.014 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.243 2.012 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.208 0.460 4.562 1.00 0.00 H new ATOM 0 HG SER A 38 -9.629 2.818 5.365 1.00 0.00 H new ATOM 557 N GLU A 39 -7.473 0.799 7.630 1.00 0.00 N ATOM 558 CA GLU A 39 -7.805 0.657 9.043 1.00 0.00 C ATOM 559 C GLU A 39 -6.702 1.237 9.923 1.00 0.00 C ATOM 560 O GLU A 39 -6.970 1.798 10.985 1.00 0.00 O ATOM 561 CB GLU A 39 -8.028 -0.817 9.391 1.00 0.00 C ATOM 562 CG GLU A 39 -9.407 -1.330 9.010 1.00 0.00 C ATOM 563 CD GLU A 39 -9.613 -2.784 9.389 1.00 0.00 C ATOM 564 OE1 GLU A 39 -8.916 -3.263 10.308 1.00 0.00 O ATOM 565 OE2 GLU A 39 -10.472 -3.443 8.767 1.00 0.00 O ATOM 0 H GLU A 39 -7.283 -0.081 7.150 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.724 1.211 9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.273 -1.419 8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.881 -0.955 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.166 -0.720 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.550 -1.215 7.936 1.00 0.00 H new ATOM 572 N LYS A 40 -5.460 1.098 9.472 1.00 0.00 N ATOM 573 CA LYS A 40 -4.314 1.608 10.216 1.00 0.00 C ATOM 574 C LYS A 40 -4.405 3.122 10.384 1.00 0.00 C ATOM 575 O LYS A 40 -4.310 3.640 11.497 1.00 0.00 O ATOM 576 CB LYS A 40 -3.012 1.240 9.502 1.00 0.00 C ATOM 577 CG LYS A 40 -2.450 -0.108 9.919 1.00 0.00 C ATOM 578 CD LYS A 40 -1.766 -0.033 11.274 1.00 0.00 C ATOM 579 CE LYS A 40 -1.572 -1.415 11.877 1.00 0.00 C ATOM 580 NZ LYS A 40 -2.855 -1.995 12.361 1.00 0.00 N ATOM 0 H LYS A 40 -5.221 0.636 8.594 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.320 1.150 11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.186 1.234 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.268 2.012 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.255 -0.842 9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.738 -0.454 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.799 0.458 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.362 0.580 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.132 -2.078 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.866 -1.354 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.657 -2.805 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.384 -1.273 12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.421 -2.313 11.548 1.00 0.00 H new ATOM 594 N LEU A 41 -4.590 3.825 9.272 1.00 0.00 N ATOM 595 CA LEU A 41 -4.695 5.280 9.296 1.00 0.00 C ATOM 596 C LEU A 41 -6.155 5.720 9.328 1.00 0.00 C ATOM 597 O LEU A 41 -6.456 6.911 9.268 1.00 0.00 O ATOM 598 CB LEU A 41 -3.996 5.882 8.076 1.00 0.00 C ATOM 599 CG LEU A 41 -2.480 5.694 8.010 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.974 5.926 6.595 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.784 6.631 8.987 1.00 0.00 C ATOM 0 H LEU A 41 -4.670 3.412 8.343 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.206 5.640 10.201 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.435 5.446 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.211 6.950 8.050 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.248 4.667 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.893 5.788 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.448 5.215 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.218 6.942 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.706 6.484 8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.024 7.664 8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.123 6.417 10.001 1.00 0.00 H new ATOM 613 N ASN A 42 -7.058 4.750 9.426 1.00 0.00 N ATOM 614 CA ASN A 42 -8.487 5.037 9.469 1.00 0.00 C ATOM 615 C ASN A 42 -8.923 5.812 8.229 1.00 0.00 C ATOM 616 O ASN A 42 -9.885 6.579 8.269 1.00 0.00 O ATOM 617 CB ASN A 42 -8.831 5.834 10.729 1.00 0.00 C ATOM 618 CG ASN A 42 -8.213 5.236 11.978 1.00 0.00 C ATOM 619 OD1 ASN A 42 -8.245 4.022 12.179 1.00 0.00 O ATOM 620 ND2 ASN A 42 -7.646 6.088 12.824 1.00 0.00 N ATOM 0 H ASN A 42 -6.825 3.758 9.477 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.023 4.088 9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.485 6.861 10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.914 5.874 10.846 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.214 5.744 13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.643 7.087 12.617 1.00 0.00 H new ATOM 627 N VAL A 43 -8.208 5.606 7.127 1.00 0.00 N ATOM 628 CA VAL A 43 -8.522 6.284 5.875 1.00 0.00 C ATOM 629 C VAL A 43 -9.131 5.317 4.865 1.00 0.00 C ATOM 630 O VAL A 43 -8.669 4.190 4.691 1.00 0.00 O ATOM 631 CB VAL A 43 -7.268 6.931 5.258 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.658 7.925 4.174 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.432 7.605 6.335 1.00 0.00 C ATOM 0 H VAL A 43 -7.408 4.975 7.076 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.246 7.064 6.110 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.665 6.148 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.759 8.372 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.212 7.409 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.283 8.707 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.550 8.057 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.024 8.378 6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.122 6.864 7.072 1.00 0.00 H new ATOM 643 N PRO A 44 -10.194 5.768 4.182 1.00 0.00 N ATOM 644 CA PRO A 44 -10.889 4.959 3.176 1.00 0.00 C ATOM 645 C PRO A 44 -10.049 4.747 1.921 1.00 0.00 C ATOM 646 O PRO A 44 -9.459 5.688 1.390 1.00 0.00 O ATOM 647 CB PRO A 44 -12.134 5.790 2.852 1.00 0.00 C ATOM 648 CG PRO A 44 -11.749 7.192 3.177 1.00 0.00 C ATOM 649 CD PRO A 44 -10.798 7.102 4.338 1.00 0.00 C ATOM 0 HA PRO A 44 -11.111 3.956 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.415 5.690 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.990 5.467 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.276 7.675 2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.625 7.787 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.046 7.890 4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.317 7.199 5.291 1.00 0.00 H new ATOM 657 N VAL A 45 -9.999 3.504 1.451 1.00 0.00 N ATOM 658 CA VAL A 45 -9.233 3.169 0.257 1.00 0.00 C ATOM 659 C VAL A 45 -9.581 4.100 -0.899 1.00 0.00 C ATOM 660 O VAL A 45 -8.716 4.470 -1.693 1.00 0.00 O ATOM 661 CB VAL A 45 -9.481 1.712 -0.178 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.452 1.281 -1.211 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.459 0.785 1.028 1.00 0.00 C ATOM 0 H VAL A 45 -10.480 2.713 1.879 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.180 3.290 0.512 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.468 1.651 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.643 0.249 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.522 1.928 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.453 1.357 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.636 -0.240 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.487 0.848 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.238 1.082 1.730 1.00 0.00 H new ATOM 673 N ARG A 46 -10.853 4.474 -0.987 1.00 0.00 N ATOM 674 CA ARG A 46 -11.316 5.362 -2.047 1.00 0.00 C ATOM 675 C ARG A 46 -10.484 6.641 -2.088 1.00 0.00 C ATOM 676 O ARG A 46 -10.074 7.091 -3.157 1.00 0.00 O ATOM 677 CB ARG A 46 -12.792 5.707 -1.844 1.00 0.00 C ATOM 678 CG ARG A 46 -13.744 4.734 -2.520 1.00 0.00 C ATOM 679 CD ARG A 46 -14.066 5.167 -3.942 1.00 0.00 C ATOM 680 NE ARG A 46 -14.885 4.182 -4.642 1.00 0.00 N ATOM 681 CZ ARG A 46 -15.175 4.253 -5.936 1.00 0.00 C ATOM 682 NH1 ARG A 46 -14.713 5.257 -6.668 1.00 0.00 N ATOM 683 NH2 ARG A 46 -15.927 3.317 -6.502 1.00 0.00 N ATOM 0 H ARG A 46 -11.581 4.176 -0.338 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.199 4.843 -2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.007 5.730 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.978 6.710 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.300 3.739 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.666 4.664 -1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.589 6.123 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.138 5.324 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.255 3.396 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.133 5.977 -6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.937 5.309 -7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.283 2.542 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.149 3.373 -7.496 1.00 0.00 H new ATOM 697 N GLN A 47 -10.240 7.219 -0.916 1.00 0.00 N ATOM 698 CA GLN A 47 -9.459 8.446 -0.819 1.00 0.00 C ATOM 699 C GLN A 47 -7.967 8.152 -0.934 1.00 0.00 C ATOM 700 O GLN A 47 -7.337 8.477 -1.940 1.00 0.00 O ATOM 701 CB GLN A 47 -9.750 9.158 0.504 1.00 0.00 C ATOM 702 CG GLN A 47 -11.147 9.752 0.580 1.00 0.00 C ATOM 703 CD GLN A 47 -11.308 10.979 -0.296 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.980 10.935 -1.327 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.691 12.082 0.110 1.00 0.00 N ATOM 0 H GLN A 47 -10.572 6.858 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.747 9.097 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.619 8.452 1.324 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.018 9.953 0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.875 8.998 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.369 10.017 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.145 12.073 0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.763 12.938 -0.439 1.00 0.00 H new ATOM 714 N GLN A 48 -7.408 7.536 0.103 1.00 0.00 N ATOM 715 CA GLN A 48 -5.990 7.199 0.118 1.00 0.00 C ATOM 716 C GLN A 48 -5.607 6.398 -1.122 1.00 0.00 C ATOM 717 O GLN A 48 -6.431 5.678 -1.686 1.00 0.00 O ATOM 718 CB GLN A 48 -5.646 6.405 1.379 1.00 0.00 C ATOM 719 CG GLN A 48 -6.050 4.941 1.305 1.00 0.00 C ATOM 720 CD GLN A 48 -5.550 4.137 2.489 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.763 4.627 3.299 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.006 2.895 2.596 1.00 0.00 N ATOM 0 H GLN A 48 -7.916 7.260 0.944 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.422 8.129 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.572 6.469 1.557 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.139 6.867 2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.137 4.870 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.660 4.506 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.657 2.529 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.705 2.306 3.373 1.00 0.00 H new ATOM 731 N ARG A 49 -4.353 6.529 -1.542 1.00 0.00 N ATOM 732 CA ARG A 49 -3.862 5.819 -2.716 1.00 0.00 C ATOM 733 C ARG A 49 -2.423 5.357 -2.511 1.00 0.00 C ATOM 734 O ARG A 49 -1.606 6.075 -1.932 1.00 0.00 O ATOM 735 CB ARG A 49 -3.950 6.714 -3.954 1.00 0.00 C ATOM 736 CG ARG A 49 -3.268 6.128 -5.179 1.00 0.00 C ATOM 737 CD ARG A 49 -3.854 6.689 -6.465 1.00 0.00 C ATOM 738 NE ARG A 49 -5.251 6.305 -6.644 1.00 0.00 N ATOM 739 CZ ARG A 49 -6.060 6.865 -7.537 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.611 7.830 -8.328 1.00 0.00 N ATOM 741 NH2 ARG A 49 -7.319 6.460 -7.639 1.00 0.00 N ATOM 0 H ARG A 49 -3.658 7.121 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.489 4.940 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.999 6.897 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.501 7.680 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.200 6.343 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.375 5.043 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.776 7.776 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.269 6.335 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.627 5.566 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.643 8.143 -8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.233 8.259 -9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.667 5.718 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.939 6.891 -8.325 1.00 0.00 H new ATOM 755 N LEU A 50 -2.118 4.155 -2.987 1.00 0.00 N ATOM 756 CA LEU A 50 -0.777 3.597 -2.855 1.00 0.00 C ATOM 757 C LEU A 50 0.035 3.825 -4.126 1.00 0.00 C ATOM 758 O LEU A 50 -0.505 3.801 -5.233 1.00 0.00 O ATOM 759 CB LEU A 50 -0.854 2.101 -2.547 1.00 0.00 C ATOM 760 CG LEU A 50 -1.463 1.725 -1.196 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.510 0.213 -1.033 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.676 2.361 -0.060 1.00 0.00 C ATOM 0 H LEU A 50 -2.782 3.548 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.278 4.106 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.436 1.618 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.153 1.688 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.484 2.105 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.946 -0.035 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.118 -0.220 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.499 -0.191 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.124 2.082 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.356 2.012 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.695 3.446 -0.167 1.00 0.00 H new ATOM 774 N LEU A 51 1.335 4.043 -3.961 1.00 0.00 N ATOM 775 CA LEU A 51 2.223 4.273 -5.095 1.00 0.00 C ATOM 776 C LEU A 51 3.553 3.552 -4.900 1.00 0.00 C ATOM 777 O LEU A 51 3.975 3.301 -3.771 1.00 0.00 O ATOM 778 CB LEU A 51 2.464 5.771 -5.284 1.00 0.00 C ATOM 779 CG LEU A 51 1.355 6.545 -5.998 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.577 8.043 -5.862 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.285 6.145 -7.465 1.00 0.00 C ATOM 0 H LEU A 51 1.798 4.065 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 51 1.742 3.874 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.619 6.220 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.390 5.902 -5.845 1.00 0.00 H new ATOM 0 HG LEU A 51 0.404 6.296 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.778 8.577 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.576 8.317 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.536 8.310 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.490 6.706 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.237 6.365 -7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.077 5.078 -7.542 1.00 0.00 H new ATOM 793 N PHE A 52 4.211 3.225 -6.007 1.00 0.00 N ATOM 794 CA PHE A 52 5.495 2.535 -5.958 1.00 0.00 C ATOM 795 C PHE A 52 6.481 3.149 -6.947 1.00 0.00 C ATOM 796 O PHE A 52 6.359 2.965 -8.159 1.00 0.00 O ATOM 797 CB PHE A 52 5.310 1.047 -6.262 1.00 0.00 C ATOM 798 CG PHE A 52 6.581 0.253 -6.167 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.165 0.002 -4.936 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.191 -0.243 -7.307 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.336 -0.728 -4.845 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.362 -0.974 -7.223 1.00 0.00 C ATOM 803 CZ PHE A 52 8.934 -1.217 -5.990 1.00 0.00 C ATOM 0 H PHE A 52 3.876 3.427 -6.949 1.00 0.00 H new ATOM 0 HA PHE A 52 5.900 2.646 -4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.579 0.631 -5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.897 0.938 -7.265 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.701 0.381 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.747 -0.057 -8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.782 -0.916 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.828 -1.354 -8.120 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.848 -1.789 -5.921 1.00 0.00 H new ATOM 813 N LYS A 53 7.458 3.881 -6.423 1.00 0.00 N ATOM 814 CA LYS A 53 8.467 4.523 -7.257 1.00 0.00 C ATOM 815 C LYS A 53 7.815 5.322 -8.381 1.00 0.00 C ATOM 816 O LYS A 53 8.387 5.477 -9.459 1.00 0.00 O ATOM 817 CB LYS A 53 9.413 3.474 -7.846 1.00 0.00 C ATOM 818 CG LYS A 53 10.205 2.713 -6.797 1.00 0.00 C ATOM 819 CD LYS A 53 10.650 1.354 -7.312 1.00 0.00 C ATOM 820 CE LYS A 53 12.008 1.433 -7.993 1.00 0.00 C ATOM 821 NZ LYS A 53 11.903 1.972 -9.377 1.00 0.00 N ATOM 0 H LYS A 53 7.573 4.045 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 53 9.038 5.209 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.833 2.765 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.107 3.965 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.078 3.296 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.595 2.583 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.698 0.648 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.911 0.970 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.673 2.067 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.458 0.441 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.725 1.662 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.031 1.620 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.880 3.011 -9.344 1.00 0.00 H new ATOM 835 N GLY A 54 6.614 5.830 -8.120 1.00 0.00 N ATOM 836 CA GLY A 54 5.905 6.609 -9.119 1.00 0.00 C ATOM 837 C GLY A 54 5.013 5.753 -9.996 1.00 0.00 C ATOM 838 O GLY A 54 4.619 6.167 -11.086 1.00 0.00 O ATOM 0 H GLY A 54 6.120 5.716 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.300 7.368 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.626 7.135 -9.744 1.00 0.00 H new ATOM 842 N LYS A 55 4.694 4.553 -9.521 1.00 0.00 N ATOM 843 CA LYS A 55 3.844 3.635 -10.268 1.00 0.00 C ATOM 844 C LYS A 55 2.479 3.493 -9.603 1.00 0.00 C ATOM 845 O LYS A 55 2.386 3.304 -8.390 1.00 0.00 O ATOM 846 CB LYS A 55 4.513 2.263 -10.380 1.00 0.00 C ATOM 847 CG LYS A 55 4.113 1.490 -11.625 1.00 0.00 C ATOM 848 CD LYS A 55 5.192 0.505 -12.041 1.00 0.00 C ATOM 849 CE LYS A 55 5.507 -0.479 -10.925 1.00 0.00 C ATOM 850 NZ LYS A 55 6.275 -1.655 -11.422 1.00 0.00 N ATOM 0 H LYS A 55 5.012 4.194 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 55 3.701 4.045 -11.268 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.595 2.395 -10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.261 1.672 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.182 0.954 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.921 2.187 -12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.867 -0.040 -12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.096 1.048 -12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.079 0.026 -10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.578 -0.819 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.252 -2.411 -10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.849 -2.000 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.261 -1.376 -11.599 1.00 0.00 H new ATOM 864 N ALA A 56 1.422 3.585 -10.404 1.00 0.00 N ATOM 865 CA ALA A 56 0.063 3.463 -9.892 1.00 0.00 C ATOM 866 C ALA A 56 -0.350 2.000 -9.772 1.00 0.00 C ATOM 867 O ALA A 56 -0.408 1.277 -10.768 1.00 0.00 O ATOM 868 CB ALA A 56 -0.908 4.215 -10.790 1.00 0.00 C ATOM 0 H ALA A 56 1.481 3.744 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 56 0.036 3.904 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.919 4.116 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.633 5.269 -10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.868 3.800 -11.797 1.00 0.00 H new ATOM 874 N LEU A 57 -0.634 1.568 -8.548 1.00 0.00 N ATOM 875 CA LEU A 57 -1.041 0.190 -8.298 1.00 0.00 C ATOM 876 C LEU A 57 -2.520 -0.007 -8.614 1.00 0.00 C ATOM 877 O LEU A 57 -3.379 0.688 -8.072 1.00 0.00 O ATOM 878 CB LEU A 57 -0.764 -0.188 -6.842 1.00 0.00 C ATOM 879 CG LEU A 57 0.451 0.478 -6.195 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.631 -0.014 -4.767 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.704 0.212 -7.016 1.00 0.00 C ATOM 0 H LEU A 57 -0.590 2.152 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.459 -0.459 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.646 0.057 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.633 -1.269 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 57 0.281 1.554 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.500 0.470 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.258 0.228 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.779 -1.094 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.559 0.693 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.879 -0.862 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.573 0.614 -8.021 1.00 0.00 H new ATOM 893 N ALA A 58 -2.810 -0.960 -9.494 1.00 0.00 N ATOM 894 CA ALA A 58 -4.186 -1.252 -9.879 1.00 0.00 C ATOM 895 C ALA A 58 -4.792 -2.323 -8.979 1.00 0.00 C ATOM 896 O ALA A 58 -4.289 -3.444 -8.905 1.00 0.00 O ATOM 897 CB ALA A 58 -4.245 -1.688 -11.335 1.00 0.00 C ATOM 0 H ALA A 58 -2.111 -1.543 -9.954 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.772 -0.341 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.278 -1.903 -11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.860 -0.890 -11.970 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.640 -2.584 -11.471 1.00 0.00 H new ATOM 903 N ASP A 59 -5.876 -1.970 -8.295 1.00 0.00 N ATOM 904 CA ASP A 59 -6.551 -2.902 -7.400 1.00 0.00 C ATOM 905 C ASP A 59 -6.872 -4.209 -8.117 1.00 0.00 C ATOM 906 O ASP A 59 -7.257 -4.210 -9.286 1.00 0.00 O ATOM 907 CB ASP A 59 -7.836 -2.277 -6.854 1.00 0.00 C ATOM 908 CG ASP A 59 -8.865 -2.028 -7.939 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.572 -2.985 -8.317 1.00 0.00 O ATOM 910 OD2 ASP A 59 -8.963 -0.875 -8.410 1.00 0.00 O ATOM 0 H ASP A 59 -6.305 -1.046 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.880 -3.120 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.263 -2.934 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.597 -1.335 -6.361 1.00 0.00 H new ATOM 915 N GLY A 60 -6.710 -5.323 -7.409 1.00 0.00 N ATOM 916 CA GLY A 60 -6.985 -6.622 -7.994 1.00 0.00 C ATOM 917 C GLY A 60 -5.720 -7.385 -8.333 1.00 0.00 C ATOM 918 O GLY A 60 -5.629 -8.589 -8.095 1.00 0.00 O ATOM 0 H GLY A 60 -6.393 -5.349 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.585 -7.210 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.580 -6.491 -8.898 1.00 0.00 H new ATOM 922 N LYS A 61 -4.740 -6.684 -8.893 1.00 0.00 N ATOM 923 CA LYS A 61 -3.473 -7.302 -9.266 1.00 0.00 C ATOM 924 C LYS A 61 -2.658 -7.662 -8.028 1.00 0.00 C ATOM 925 O LYS A 61 -3.112 -7.478 -6.899 1.00 0.00 O ATOM 926 CB LYS A 61 -2.668 -6.360 -10.164 1.00 0.00 C ATOM 927 CG LYS A 61 -3.257 -6.194 -11.554 1.00 0.00 C ATOM 928 CD LYS A 61 -2.179 -5.908 -12.586 1.00 0.00 C ATOM 929 CE LYS A 61 -2.759 -5.256 -13.832 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.698 -4.893 -14.813 1.00 0.00 N ATOM 0 H LYS A 61 -4.799 -5.687 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.691 -8.218 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.604 -5.382 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.650 -6.738 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.797 -7.099 -11.832 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.982 -5.380 -11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.422 -5.255 -12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.680 -6.838 -12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.470 -5.937 -14.301 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.314 -4.361 -13.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.133 -4.451 -15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.034 -4.224 -14.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.185 -5.750 -15.103 1.00 0.00 H new ATOM 944 N ARG A 62 -1.451 -8.174 -8.248 1.00 0.00 N ATOM 945 CA ARG A 62 -0.573 -8.559 -7.150 1.00 0.00 C ATOM 946 C ARG A 62 0.768 -7.838 -7.249 1.00 0.00 C ATOM 947 O ARG A 62 1.317 -7.671 -8.338 1.00 0.00 O ATOM 948 CB ARG A 62 -0.351 -10.073 -7.153 1.00 0.00 C ATOM 949 CG ARG A 62 -1.641 -10.877 -7.148 1.00 0.00 C ATOM 950 CD ARG A 62 -1.365 -12.372 -7.117 1.00 0.00 C ATOM 951 NE ARG A 62 -0.779 -12.847 -8.367 1.00 0.00 N ATOM 952 CZ ARG A 62 -0.312 -14.078 -8.539 1.00 0.00 C ATOM 953 NH1 ARG A 62 -0.362 -14.955 -7.546 1.00 0.00 N ATOM 954 NH2 ARG A 62 0.207 -14.435 -9.707 1.00 0.00 N ATOM 0 H ARG A 62 -1.059 -8.332 -9.177 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.054 -8.271 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.233 -10.344 -8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.241 -10.347 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.241 -10.599 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.227 -10.632 -8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.690 -12.599 -6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.295 -12.908 -6.926 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.725 -12.197 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.760 -14.685 -6.647 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.002 -15.900 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.247 -13.763 -10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.565 -15.381 -9.838 1.00 0.00 H new ATOM 968 N LEU A 63 1.290 -7.412 -6.103 1.00 0.00 N ATOM 969 CA LEU A 63 2.567 -6.709 -6.060 1.00 0.00 C ATOM 970 C LEU A 63 3.659 -7.517 -6.753 1.00 0.00 C ATOM 971 O LEU A 63 4.626 -6.958 -7.270 1.00 0.00 O ATOM 972 CB LEU A 63 2.968 -6.428 -4.610 1.00 0.00 C ATOM 973 CG LEU A 63 2.078 -5.446 -3.847 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.447 -5.428 -2.371 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.191 -4.050 -4.442 1.00 0.00 C ATOM 0 H LEU A 63 0.849 -7.541 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 63 2.450 -5.763 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.980 -7.373 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.988 -6.044 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 63 1.043 -5.776 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.804 -4.724 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.315 -6.425 -1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.487 -5.122 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.551 -3.365 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.225 -3.711 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.878 -4.073 -5.486 1.00 0.00 H new ATOM 987 N SER A 64 3.496 -8.836 -6.761 1.00 0.00 N ATOM 988 CA SER A 64 4.469 -9.722 -7.390 1.00 0.00 C ATOM 989 C SER A 64 4.548 -9.464 -8.892 1.00 0.00 C ATOM 990 O SER A 64 5.581 -9.699 -9.520 1.00 0.00 O ATOM 991 CB SER A 64 4.100 -11.185 -7.132 1.00 0.00 C ATOM 992 OG SER A 64 2.764 -11.450 -7.524 1.00 0.00 O ATOM 0 H SER A 64 2.700 -9.315 -6.339 1.00 0.00 H new ATOM 0 HA SER A 64 5.446 -9.518 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.780 -11.837 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.224 -11.414 -6.073 1.00 0.00 H new ATOM 0 HG SER A 64 2.553 -12.391 -7.351 1.00 0.00 H new ATOM 998 N ASP A 65 3.450 -8.978 -9.461 1.00 0.00 N ATOM 999 CA ASP A 65 3.394 -8.686 -10.888 1.00 0.00 C ATOM 1000 C ASP A 65 4.092 -7.366 -11.201 1.00 0.00 C ATOM 1001 O ASP A 65 4.693 -7.206 -12.263 1.00 0.00 O ATOM 1002 CB ASP A 65 1.941 -8.635 -11.364 1.00 0.00 C ATOM 1003 CG ASP A 65 1.823 -8.241 -12.823 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.003 -9.121 -13.691 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.550 -7.054 -13.096 1.00 0.00 O ATOM 0 H ASP A 65 2.587 -8.778 -8.955 1.00 0.00 H new ATOM 0 HA ASP A 65 3.913 -9.485 -11.417 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.479 -9.611 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.386 -7.923 -10.753 1.00 0.00 H new ATOM 1010 N TYR A 66 4.006 -6.423 -10.269 1.00 0.00 N ATOM 1011 CA TYR A 66 4.626 -5.115 -10.447 1.00 0.00 C ATOM 1012 C TYR A 66 6.122 -5.177 -10.155 1.00 0.00 C ATOM 1013 O TYR A 66 6.819 -4.165 -10.211 1.00 0.00 O ATOM 1014 CB TYR A 66 3.959 -4.084 -9.534 1.00 0.00 C ATOM 1015 CG TYR A 66 2.579 -3.671 -9.994 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.413 -2.679 -10.952 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.442 -4.273 -9.470 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.154 -2.297 -11.374 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.179 -3.900 -9.887 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.040 -2.911 -10.839 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.215 -2.535 -11.258 1.00 0.00 O ATOM 0 H TYR A 66 3.514 -6.540 -9.383 1.00 0.00 H new ATOM 0 HA TYR A 66 4.489 -4.814 -11.486 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.889 -4.494 -8.527 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.593 -3.199 -9.475 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.283 -2.198 -11.374 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.547 -5.046 -8.723 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.042 -1.522 -12.118 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.694 -4.380 -9.470 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.482 -3.083 -12.025 1.00 0.00 H new ATOM 1031 N SER A 67 6.608 -6.375 -9.844 1.00 0.00 N ATOM 1032 CA SER A 67 8.021 -6.571 -9.541 1.00 0.00 C ATOM 1033 C SER A 67 8.402 -5.859 -8.246 1.00 0.00 C ATOM 1034 O SER A 67 9.454 -5.224 -8.161 1.00 0.00 O ATOM 1035 CB SER A 67 8.888 -6.058 -10.692 1.00 0.00 C ATOM 1036 OG SER A 67 10.129 -6.740 -10.738 1.00 0.00 O ATOM 0 H SER A 67 6.044 -7.224 -9.795 1.00 0.00 H new ATOM 0 HA SER A 67 8.195 -7.639 -9.414 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.361 -6.192 -11.636 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.061 -4.989 -10.572 1.00 0.00 H new ATOM 0 HG SER A 67 10.664 -6.395 -11.483 1.00 0.00 H new ATOM 1042 N ILE A 68 7.540 -5.969 -7.242 1.00 0.00 N ATOM 1043 CA ILE A 68 7.786 -5.337 -5.951 1.00 0.00 C ATOM 1044 C ILE A 68 8.167 -6.371 -4.897 1.00 0.00 C ATOM 1045 O ILE A 68 7.312 -7.089 -4.380 1.00 0.00 O ATOM 1046 CB ILE A 68 6.553 -4.554 -5.464 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.231 -3.413 -6.432 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.788 -4.014 -4.061 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.863 -2.804 -6.214 1.00 0.00 C ATOM 0 H ILE A 68 6.665 -6.490 -7.297 1.00 0.00 H new ATOM 0 HA ILE A 68 8.615 -4.643 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 68 5.700 -5.232 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.987 -2.635 -6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.295 -3.785 -7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.907 -3.463 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.974 -4.843 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.651 -3.348 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.703 -2.002 -6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.099 -3.570 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.801 -2.401 -5.203 1.00 0.00 H new ATOM 1061 N GLY A 69 9.457 -6.439 -4.581 1.00 0.00 N ATOM 1062 CA GLY A 69 9.928 -7.386 -3.588 1.00 0.00 C ATOM 1063 C GLY A 69 9.722 -6.891 -2.171 1.00 0.00 C ATOM 1064 O GLY A 69 8.957 -5.959 -1.921 1.00 0.00 O ATOM 0 H GLY A 69 10.184 -5.855 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.406 -8.334 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.988 -7.581 -3.751 1.00 0.00 H new ATOM 1068 N PRO A 70 10.414 -7.525 -1.212 1.00 0.00 N ATOM 1069 CA PRO A 70 10.318 -7.161 0.205 1.00 0.00 C ATOM 1070 C PRO A 70 10.957 -5.809 0.501 1.00 0.00 C ATOM 1071 O PRO A 70 11.494 -5.157 -0.393 1.00 0.00 O ATOM 1072 CB PRO A 70 11.086 -8.281 0.911 1.00 0.00 C ATOM 1073 CG PRO A 70 12.040 -8.791 -0.113 1.00 0.00 C ATOM 1074 CD PRO A 70 11.343 -8.644 -1.437 1.00 0.00 C ATOM 0 HA PRO A 70 9.283 -7.063 0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.611 -7.908 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.413 -9.068 1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.970 -8.223 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.298 -9.832 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.047 -8.426 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.814 -9.555 -1.716 1.00 0.00 H new ATOM 1082 N ASN A 71 10.895 -5.393 1.762 1.00 0.00 N ATOM 1083 CA ASN A 71 11.468 -4.117 2.175 1.00 0.00 C ATOM 1084 C ASN A 71 11.158 -3.026 1.155 1.00 0.00 C ATOM 1085 O ASN A 71 12.020 -2.215 0.817 1.00 0.00 O ATOM 1086 CB ASN A 71 12.982 -4.249 2.354 1.00 0.00 C ATOM 1087 CG ASN A 71 13.360 -4.759 3.731 1.00 0.00 C ATOM 1088 OD1 ASN A 71 13.228 -4.046 4.727 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.831 -5.998 3.794 1.00 0.00 N ATOM 0 H ASN A 71 10.454 -5.921 2.515 1.00 0.00 H new ATOM 0 HA ASN A 71 11.019 -3.836 3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.377 -4.927 1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.451 -3.279 2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.101 -6.396 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.923 -6.552 2.943 1.00 0.00 H new ATOM 1096 N SER A 72 9.921 -3.011 0.670 1.00 0.00 N ATOM 1097 CA SER A 72 9.497 -2.021 -0.313 1.00 0.00 C ATOM 1098 C SER A 72 8.698 -0.904 0.350 1.00 0.00 C ATOM 1099 O SER A 72 7.697 -1.154 1.021 1.00 0.00 O ATOM 1100 CB SER A 72 8.657 -2.685 -1.406 1.00 0.00 C ATOM 1101 OG SER A 72 9.482 -3.283 -2.391 1.00 0.00 O ATOM 0 H SER A 72 9.194 -3.673 0.942 1.00 0.00 H new ATOM 0 HA SER A 72 10.390 -1.587 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.009 -3.441 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.009 -1.943 -1.872 1.00 0.00 H new ATOM 0 HG SER A 72 9.397 -4.258 -2.341 1.00 0.00 H new ATOM 1107 N LYS A 73 9.148 0.331 0.158 1.00 0.00 N ATOM 1108 CA LYS A 73 8.477 1.490 0.735 1.00 0.00 C ATOM 1109 C LYS A 73 7.502 2.106 -0.262 1.00 0.00 C ATOM 1110 O LYS A 73 7.904 2.596 -1.318 1.00 0.00 O ATOM 1111 CB LYS A 73 9.505 2.536 1.172 1.00 0.00 C ATOM 1112 CG LYS A 73 10.131 2.245 2.525 1.00 0.00 C ATOM 1113 CD LYS A 73 11.311 3.161 2.802 1.00 0.00 C ATOM 1114 CE LYS A 73 10.857 4.503 3.355 1.00 0.00 C ATOM 1115 NZ LYS A 73 10.531 5.469 2.269 1.00 0.00 N ATOM 0 H LYS A 73 9.976 0.556 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 73 7.915 1.156 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.293 2.594 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.024 3.514 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.382 2.368 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.460 1.206 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.985 2.683 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.875 3.317 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.981 4.358 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.641 4.919 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.800 6.429 2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.055 5.213 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.510 5.440 2.074 1.00 0.00 H new ATOM 1129 N LEU A 74 6.218 2.080 0.079 1.00 0.00 N ATOM 1130 CA LEU A 74 5.184 2.638 -0.786 1.00 0.00 C ATOM 1131 C LEU A 74 4.802 4.046 -0.339 1.00 0.00 C ATOM 1132 O LEU A 74 5.013 4.421 0.814 1.00 0.00 O ATOM 1133 CB LEU A 74 3.949 1.737 -0.784 1.00 0.00 C ATOM 1134 CG LEU A 74 4.035 0.478 -1.647 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.155 -0.623 -1.076 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.641 0.788 -3.084 1.00 0.00 C ATOM 0 H LEU A 74 5.868 1.678 0.949 1.00 0.00 H new ATOM 0 HA LEU A 74 5.583 2.694 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.746 1.436 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.094 2.325 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 74 5.067 0.128 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.230 -1.511 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.484 -0.865 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.119 -0.284 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.708 -0.120 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.618 1.164 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.314 1.542 -3.491 1.00 0.00 H new ATOM 1148 N ASN A 75 4.236 4.820 -1.259 1.00 0.00 N ATOM 1149 CA ASN A 75 3.822 6.186 -0.959 1.00 0.00 C ATOM 1150 C ASN A 75 2.307 6.271 -0.795 1.00 0.00 C ATOM 1151 O ASN A 75 1.559 5.533 -1.438 1.00 0.00 O ATOM 1152 CB ASN A 75 4.280 7.135 -2.068 1.00 0.00 C ATOM 1153 CG ASN A 75 4.555 8.535 -1.554 1.00 0.00 C ATOM 1154 OD1 ASN A 75 3.700 9.417 -1.634 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.754 8.745 -1.023 1.00 0.00 N ATOM 0 H ASN A 75 4.053 4.525 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 75 4.289 6.483 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.182 6.738 -2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.515 7.179 -2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.997 9.667 -0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.432 7.984 -0.977 1.00 0.00 H new ATOM 1162 N LEU A 76 1.862 7.177 0.068 1.00 0.00 N ATOM 1163 CA LEU A 76 0.436 7.361 0.317 1.00 0.00 C ATOM 1164 C LEU A 76 -0.018 8.751 -0.117 1.00 0.00 C ATOM 1165 O LEU A 76 0.572 9.759 0.275 1.00 0.00 O ATOM 1166 CB LEU A 76 0.126 7.151 1.800 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.350 6.969 2.158 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.948 5.807 1.380 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.513 6.751 3.655 1.00 0.00 C ATOM 0 H LEU A 76 2.467 7.796 0.607 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.108 6.621 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.674 6.274 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.511 8.006 2.356 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.886 7.878 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.998 5.692 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.865 6.004 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.410 4.891 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.569 6.623 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.964 5.858 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.123 7.615 4.193 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.071 8.798 -0.927 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.606 10.065 -1.412 1.00 0.00 C ATOM 1183 C VAL A 77 -3.059 10.246 -0.986 1.00 0.00 C ATOM 1184 O VAL A 77 -3.851 9.305 -1.027 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.517 10.162 -2.946 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.864 11.567 -3.414 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.130 9.759 -3.425 1.00 0.00 C ATOM 0 H VAL A 77 -1.570 7.974 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.999 10.855 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.241 9.472 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.796 11.616 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.879 11.814 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.166 12.280 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.084 9.833 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.614 10.423 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.075 8.732 -3.123 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.402 11.464 -0.577 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.760 11.770 -0.145 1.00 0.00 C ATOM 1199 C VAL A 78 -5.563 12.415 -1.269 1.00 0.00 C ATOM 1200 O VAL A 78 -5.288 13.544 -1.675 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.762 12.709 1.076 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -4.159 14.058 0.714 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -6.174 12.876 1.617 1.00 0.00 C ATOM 0 H VAL A 78 -2.758 12.254 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.224 10.824 0.132 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.148 12.261 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.169 14.708 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.132 13.919 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.744 14.515 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.157 13.542 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.812 13.301 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.566 11.904 1.917 1.00 0.00 H new