USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 664 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 54:sc= 0.474 USER MOD Single : A 30 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-5.4!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -3.7! C(o=-7.1!,f=-3.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 SER OG : rot 44:sc= 1.03 USER MOD Single : B 30 HIS :FLIP no HE2:sc= -3.51! C(o=-4.6!,f=-3.5!) USER MOD Single : B 35 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 45 ASN :FLIP amide:sc= -0.236 F(o=-1.4,f=-0.24) USER MOD Single : B 46 SER OG : rot 75:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 8.978 8.677 -0.036 1.00 0.00 N ATOM 67 CA ALA A 7 9.739 8.323 1.149 1.00 0.00 C ATOM 68 C ALA A 7 9.486 9.314 2.267 1.00 0.00 C ATOM 69 O ALA A 7 10.394 9.688 3.010 1.00 0.00 O ATOM 70 CB ALA A 7 11.218 8.229 0.826 1.00 0.00 C ATOM 0 HA ALA A 7 9.406 7.343 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.771 7.963 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.376 7.466 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.571 9.191 0.455 1.00 0.00 H new ATOM 76 N VAL A 8 8.227 9.697 2.391 1.00 0.00 N ATOM 77 CA VAL A 8 7.788 10.602 3.432 1.00 0.00 C ATOM 78 C VAL A 8 7.649 9.812 4.715 1.00 0.00 C ATOM 79 O VAL A 8 6.589 9.752 5.331 1.00 0.00 O ATOM 80 CB VAL A 8 6.459 11.294 3.062 1.00 0.00 C ATOM 81 CG1 VAL A 8 5.356 10.268 2.850 1.00 0.00 C ATOM 82 CG2 VAL A 8 6.064 12.311 4.122 1.00 0.00 C ATOM 0 H VAL A 8 7.480 9.387 1.769 1.00 0.00 H new ATOM 0 HA VAL A 8 8.525 11.395 3.558 1.00 0.00 H new ATOM 0 HB VAL A 8 6.605 11.829 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.429 10.779 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.637 9.593 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.210 9.696 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.124 12.785 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.942 11.808 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.842 13.069 4.206 1.00 0.00 H new ATOM 92 N ASP A 9 8.739 9.143 5.055 1.00 0.00 N ATOM 93 CA ASP A 9 8.790 8.265 6.200 1.00 0.00 C ATOM 94 C ASP A 9 8.018 7.013 5.837 1.00 0.00 C ATOM 95 O ASP A 9 7.809 6.124 6.656 1.00 0.00 O ATOM 96 CB ASP A 9 8.215 8.939 7.441 1.00 0.00 C ATOM 97 CG ASP A 9 9.018 10.152 7.867 1.00 0.00 C ATOM 98 OD1 ASP A 9 10.221 9.992 8.166 1.00 0.00 O ATOM 99 OD2 ASP A 9 8.447 11.262 7.900 1.00 0.00 O ATOM 0 H ASP A 9 9.616 9.198 4.537 1.00 0.00 H new ATOM 0 HA ASP A 9 9.822 8.015 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.186 9.239 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.186 8.221 8.260 1.00 0.00 H new ATOM 104 N ILE A 10 7.655 6.985 4.551 1.00 0.00 N ATOM 105 CA ILE A 10 6.939 5.914 3.889 1.00 0.00 C ATOM 106 C ILE A 10 5.643 5.477 4.581 1.00 0.00 C ATOM 107 O ILE A 10 4.592 5.441 3.944 1.00 0.00 O ATOM 108 CB ILE A 10 7.867 4.736 3.634 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.461 4.073 2.333 1.00 0.00 C ATOM 110 CG2 ILE A 10 7.851 3.759 4.788 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.422 5.043 1.162 1.00 0.00 C ATOM 0 H ILE A 10 7.869 7.756 3.918 1.00 0.00 H new ATOM 0 HA ILE A 10 6.606 6.326 2.936 1.00 0.00 H new ATOM 0 HB ILE A 10 8.893 5.093 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.160 3.267 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.478 3.618 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.525 2.930 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.177 4.264 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.840 3.377 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.125 4.511 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.703 5.835 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.410 5.479 1.018 1.00 0.00 H new ATOM 123 N GLY A 11 5.703 5.161 5.865 1.00 0.00 N ATOM 124 CA GLY A 11 4.510 4.757 6.576 1.00 0.00 C ATOM 125 C GLY A 11 3.479 5.834 6.561 1.00 0.00 C ATOM 126 O GLY A 11 2.325 5.610 6.909 1.00 0.00 O ATOM 0 H GLY A 11 6.555 5.177 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.102 3.854 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.765 4.509 7.606 1.00 0.00 H new ATOM 130 N ASP A 12 3.898 7.011 6.147 1.00 0.00 N ATOM 131 CA ASP A 12 3.012 8.128 6.069 1.00 0.00 C ATOM 132 C ASP A 12 2.058 7.946 4.908 1.00 0.00 C ATOM 133 O ASP A 12 0.877 8.276 4.987 1.00 0.00 O ATOM 134 CB ASP A 12 3.830 9.395 5.893 1.00 0.00 C ATOM 135 CG ASP A 12 4.503 9.832 7.179 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.264 9.027 7.754 1.00 0.00 O ATOM 137 OD2 ASP A 12 4.268 10.981 7.612 1.00 0.00 O ATOM 0 H ASP A 12 4.856 7.209 5.860 1.00 0.00 H new ATOM 0 HA ASP A 12 2.427 8.203 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.588 9.231 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.183 10.195 5.535 1.00 0.00 H new ATOM 142 N ARG A 13 2.592 7.389 3.838 1.00 0.00 N ATOM 143 CA ARG A 13 1.834 7.114 2.642 1.00 0.00 C ATOM 144 C ARG A 13 0.889 5.967 2.907 1.00 0.00 C ATOM 145 O ARG A 13 -0.309 6.011 2.631 1.00 0.00 O ATOM 146 CB ARG A 13 2.832 6.745 1.565 1.00 0.00 C ATOM 147 CG ARG A 13 3.715 7.911 1.187 1.00 0.00 C ATOM 148 CD ARG A 13 4.656 7.568 0.055 1.00 0.00 C ATOM 149 NE ARG A 13 5.244 8.766 -0.544 1.00 0.00 N ATOM 150 CZ ARG A 13 4.530 9.736 -1.114 1.00 0.00 C ATOM 151 NH1 ARG A 13 3.209 9.641 -1.191 1.00 0.00 N ATOM 152 NH2 ARG A 13 5.139 10.803 -1.612 1.00 0.00 N ATOM 0 H ARG A 13 3.572 7.114 3.778 1.00 0.00 H new ATOM 0 HA ARG A 13 1.242 7.975 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.452 5.919 1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.299 6.393 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.093 8.757 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.293 8.224 2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.450 6.920 0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.117 7.007 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 13 6.259 8.865 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.734 8.822 -0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.669 10.387 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.155 10.882 -1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.592 11.545 -2.048 1.00 0.00 H new ATOM 166 N LEU A 14 1.489 4.959 3.476 1.00 0.00 N ATOM 167 CA LEU A 14 0.848 3.731 3.874 1.00 0.00 C ATOM 168 C LEU A 14 -0.295 3.972 4.842 1.00 0.00 C ATOM 169 O LEU A 14 -1.409 3.486 4.653 1.00 0.00 O ATOM 170 CB LEU A 14 1.941 2.948 4.541 1.00 0.00 C ATOM 171 CG LEU A 14 2.916 2.307 3.567 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.316 2.392 4.109 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.527 0.875 3.293 1.00 0.00 C ATOM 0 H LEU A 14 2.487 4.969 3.686 1.00 0.00 H new ATOM 0 HA LEU A 14 0.405 3.214 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.492 3.608 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.493 2.169 5.158 1.00 0.00 H new ATOM 0 HG LEU A 14 2.879 2.850 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.008 1.930 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.588 3.438 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.369 1.870 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.236 0.433 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.537 0.311 4.225 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.526 0.846 2.862 1.00 0.00 H new ATOM 185 N ASP A 15 0.003 4.725 5.884 1.00 0.00 N ATOM 186 CA ASP A 15 -0.976 5.050 6.904 1.00 0.00 C ATOM 187 C ASP A 15 -2.191 5.697 6.266 1.00 0.00 C ATOM 188 O ASP A 15 -3.323 5.269 6.476 1.00 0.00 O ATOM 189 CB ASP A 15 -0.354 6.007 7.920 1.00 0.00 C ATOM 190 CG ASP A 15 -1.123 6.049 9.226 1.00 0.00 C ATOM 191 OD1 ASP A 15 -1.249 4.989 9.876 1.00 0.00 O ATOM 192 OD2 ASP A 15 -1.597 7.142 9.601 1.00 0.00 O ATOM 0 H ASP A 15 0.926 5.127 6.047 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.286 4.136 7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.674 5.704 8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.315 7.009 7.493 1.00 0.00 H new ATOM 197 N GLU A 16 -1.934 6.728 5.475 1.00 0.00 N ATOM 198 CA GLU A 16 -2.987 7.455 4.785 1.00 0.00 C ATOM 199 C GLU A 16 -3.678 6.568 3.759 1.00 0.00 C ATOM 200 O GLU A 16 -4.830 6.793 3.388 1.00 0.00 O ATOM 201 CB GLU A 16 -2.406 8.687 4.097 1.00 0.00 C ATOM 202 CG GLU A 16 -1.706 9.630 5.056 1.00 0.00 C ATOM 203 CD GLU A 16 -1.224 10.901 4.383 1.00 0.00 C ATOM 204 OE1 GLU A 16 -2.068 11.638 3.833 1.00 0.00 O ATOM 205 OE2 GLU A 16 -0.003 11.158 4.406 1.00 0.00 O ATOM 0 H GLU A 16 -0.995 7.082 5.294 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.726 7.768 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.700 8.368 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.207 9.224 3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.388 9.889 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.856 9.118 5.506 1.00 0.00 H new ATOM 212 N LEU A 17 -2.945 5.566 3.306 1.00 0.00 N ATOM 213 CA LEU A 17 -3.427 4.615 2.312 1.00 0.00 C ATOM 214 C LEU A 17 -4.534 3.761 2.902 1.00 0.00 C ATOM 215 O LEU A 17 -5.591 3.579 2.299 1.00 0.00 O ATOM 216 CB LEU A 17 -2.240 3.732 1.873 1.00 0.00 C ATOM 217 CG LEU A 17 -2.364 2.955 0.555 1.00 0.00 C ATOM 218 CD1 LEU A 17 -3.774 2.434 0.332 1.00 0.00 C ATOM 219 CD2 LEU A 17 -1.897 3.804 -0.613 1.00 0.00 C ATOM 0 H LEU A 17 -1.991 5.386 3.618 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.833 5.144 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.359 4.370 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.049 3.011 2.668 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.713 2.083 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.816 1.891 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.048 1.765 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.471 3.272 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.993 3.235 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.508 4.704 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.854 4.083 -0.466 1.00 0.00 H new ATOM 231 N GLU A 18 -4.284 3.257 4.093 1.00 0.00 N ATOM 232 CA GLU A 18 -5.243 2.436 4.798 1.00 0.00 C ATOM 233 C GLU A 18 -6.418 3.268 5.205 1.00 0.00 C ATOM 234 O GLU A 18 -7.564 2.845 5.099 1.00 0.00 O ATOM 235 CB GLU A 18 -4.591 1.822 6.030 1.00 0.00 C ATOM 236 CG GLU A 18 -5.569 1.130 6.957 1.00 0.00 C ATOM 237 CD GLU A 18 -6.329 0.006 6.283 1.00 0.00 C ATOM 238 OE1 GLU A 18 -5.683 -0.961 5.830 1.00 0.00 O ATOM 239 OE2 GLU A 18 -7.572 0.094 6.209 1.00 0.00 O ATOM 0 H GLU A 18 -3.410 3.406 4.598 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.582 1.636 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.837 1.103 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.072 2.605 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.028 0.732 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.279 1.863 7.340 1.00 0.00 H new ATOM 246 N LYS A 19 -6.121 4.458 5.667 1.00 0.00 N ATOM 247 CA LYS A 19 -7.149 5.360 6.083 1.00 0.00 C ATOM 248 C LYS A 19 -8.036 5.681 4.903 1.00 0.00 C ATOM 249 O LYS A 19 -9.257 5.780 5.026 1.00 0.00 O ATOM 250 CB LYS A 19 -6.515 6.598 6.662 1.00 0.00 C ATOM 251 CG LYS A 19 -5.587 6.237 7.790 1.00 0.00 C ATOM 252 CD LYS A 19 -6.335 6.012 9.094 1.00 0.00 C ATOM 253 CE LYS A 19 -7.119 7.244 9.518 1.00 0.00 C ATOM 254 NZ LYS A 19 -7.879 7.012 10.778 1.00 0.00 N ATOM 0 H LYS A 19 -5.172 4.818 5.762 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.770 4.907 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.964 7.128 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.289 7.275 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.034 5.335 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.854 7.033 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.017 5.169 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.626 5.745 9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.434 8.081 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.810 7.526 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.400 7.875 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.551 6.230 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.217 6.768 11.543 1.00 0.00 H new ATOM 268 N ALA A 20 -7.401 5.799 3.744 1.00 0.00 N ATOM 269 CA ALA A 20 -8.114 6.061 2.514 1.00 0.00 C ATOM 270 C ALA A 20 -9.012 4.902 2.201 1.00 0.00 C ATOM 271 O ALA A 20 -10.199 5.045 1.923 1.00 0.00 O ATOM 272 CB ALA A 20 -7.133 6.216 1.372 1.00 0.00 C ATOM 0 H ALA A 20 -6.390 5.716 3.637 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.696 6.975 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.678 6.413 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.460 7.048 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.554 5.299 1.263 1.00 0.00 H new ATOM 278 N LEU A 21 -8.394 3.754 2.254 1.00 0.00 N ATOM 279 CA LEU A 21 -9.031 2.510 1.990 1.00 0.00 C ATOM 280 C LEU A 21 -10.232 2.319 2.875 1.00 0.00 C ATOM 281 O LEU A 21 -11.295 1.905 2.419 1.00 0.00 O ATOM 282 CB LEU A 21 -8.011 1.441 2.220 1.00 0.00 C ATOM 283 CG LEU A 21 -7.836 0.484 1.090 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.826 0.772 0.015 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.461 0.582 0.535 1.00 0.00 C ATOM 0 H LEU A 21 -7.406 3.665 2.489 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.397 2.474 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.051 1.914 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.289 0.880 3.112 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.997 -0.526 1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.688 0.067 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.836 0.672 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.679 1.788 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.350 -0.123 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.287 1.595 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.736 0.346 1.314 1.00 0.00 H new ATOM 297 N GLU A 22 -10.056 2.642 4.138 1.00 0.00 N ATOM 298 CA GLU A 22 -11.130 2.539 5.096 1.00 0.00 C ATOM 299 C GLU A 22 -12.378 3.146 4.506 1.00 0.00 C ATOM 300 O GLU A 22 -13.496 2.685 4.744 1.00 0.00 O ATOM 301 CB GLU A 22 -10.764 3.242 6.402 1.00 0.00 C ATOM 302 CG GLU A 22 -9.676 2.537 7.195 1.00 0.00 C ATOM 303 CD GLU A 22 -9.369 3.232 8.507 1.00 0.00 C ATOM 304 OE1 GLU A 22 -8.984 4.420 8.473 1.00 0.00 O ATOM 305 OE2 GLU A 22 -9.515 2.589 9.567 1.00 0.00 O ATOM 0 H GLU A 22 -9.174 2.979 4.524 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.306 1.487 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.437 4.257 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.657 3.324 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.984 1.511 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.768 2.486 6.594 1.00 0.00 H new ATOM 312 N ALA A 23 -12.161 4.168 3.705 1.00 0.00 N ATOM 313 CA ALA A 23 -13.242 4.840 3.027 1.00 0.00 C ATOM 314 C ALA A 23 -13.702 3.990 1.854 1.00 0.00 C ATOM 315 O ALA A 23 -14.893 3.754 1.669 1.00 0.00 O ATOM 316 CB ALA A 23 -12.797 6.217 2.564 1.00 0.00 C ATOM 0 H ALA A 23 -11.237 4.552 3.508 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.079 4.974 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.622 6.714 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.494 6.811 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.955 6.116 1.879 1.00 0.00 H new ATOM 322 N LEU A 24 -12.732 3.514 1.077 1.00 0.00 N ATOM 323 CA LEU A 24 -13.011 2.664 -0.077 1.00 0.00 C ATOM 324 C LEU A 24 -13.344 1.242 0.357 1.00 0.00 C ATOM 325 O LEU A 24 -13.356 0.330 -0.463 1.00 0.00 O ATOM 326 CB LEU A 24 -11.806 2.616 -1.019 1.00 0.00 C ATOM 327 CG LEU A 24 -11.481 3.909 -1.763 1.00 0.00 C ATOM 328 CD1 LEU A 24 -12.606 4.297 -2.698 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.193 5.022 -0.788 1.00 0.00 C ATOM 0 H LEU A 24 -11.741 3.704 1.227 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.868 3.095 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.930 2.324 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.978 1.831 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.589 3.737 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.347 5.221 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.761 3.504 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.521 4.446 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.963 5.936 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.066 5.187 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.341 4.749 -0.165 1.00 0.00 H new ATOM 341 N SER A 25 -13.582 1.068 1.649 1.00 0.00 N ATOM 342 CA SER A 25 -13.881 -0.241 2.232 1.00 0.00 C ATOM 343 C SER A 25 -14.924 -1.018 1.434 1.00 0.00 C ATOM 344 O SER A 25 -16.096 -1.077 1.808 1.00 0.00 O ATOM 345 CB SER A 25 -14.344 -0.079 3.676 1.00 0.00 C ATOM 346 OG SER A 25 -15.493 0.744 3.757 1.00 0.00 O ATOM 0 H SER A 25 -13.574 1.829 2.328 1.00 0.00 H new ATOM 0 HA SER A 25 -12.958 -0.820 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.564 -1.058 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.541 0.354 4.272 1.00 0.00 H new ATOM 0 HG SER A 25 -16.191 0.391 3.166 1.00 0.00 H new ATOM 352 N ALA A 26 -14.472 -1.629 0.344 1.00 0.00 N ATOM 353 CA ALA A 26 -15.332 -2.432 -0.520 1.00 0.00 C ATOM 354 C ALA A 26 -16.655 -1.738 -0.804 1.00 0.00 C ATOM 355 O ALA A 26 -17.680 -2.382 -1.031 1.00 0.00 O ATOM 356 CB ALA A 26 -15.594 -3.769 0.124 1.00 0.00 C ATOM 0 H ALA A 26 -13.501 -1.582 0.034 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.814 -2.568 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.236 -4.365 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.649 -4.290 0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.086 -3.620 1.085 1.00 0.00 H new ATOM 362 N GLU A 27 -16.615 -0.428 -0.769 1.00 0.00 N ATOM 363 CA GLU A 27 -17.795 0.394 -0.999 1.00 0.00 C ATOM 364 C GLU A 27 -18.336 0.267 -2.412 1.00 0.00 C ATOM 365 O GLU A 27 -19.535 0.437 -2.636 1.00 0.00 O ATOM 366 CB GLU A 27 -17.488 1.852 -0.683 1.00 0.00 C ATOM 367 CG GLU A 27 -17.555 2.162 0.801 1.00 0.00 C ATOM 368 CD GLU A 27 -17.536 3.649 1.094 1.00 0.00 C ATOM 369 OE1 GLU A 27 -17.478 4.444 0.132 1.00 0.00 O ATOM 370 OE2 GLU A 27 -17.580 4.020 2.285 1.00 0.00 O ATOM 0 H GLU A 27 -15.766 0.106 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.572 0.027 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.494 2.098 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -18.194 2.490 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.463 1.726 1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.713 1.687 1.305 1.00 0.00 H new ATOM 377 N ASP A 28 -17.466 -0.003 -3.370 1.00 0.00 N ATOM 378 CA ASP A 28 -17.907 -0.110 -4.749 1.00 0.00 C ATOM 379 C ASP A 28 -16.989 -0.986 -5.571 1.00 0.00 C ATOM 380 O ASP A 28 -16.553 -0.616 -6.662 1.00 0.00 O ATOM 381 CB ASP A 28 -17.985 1.278 -5.346 1.00 0.00 C ATOM 382 CG ASP A 28 -18.892 1.350 -6.560 1.00 0.00 C ATOM 383 OD1 ASP A 28 -19.513 0.322 -6.901 1.00 0.00 O ATOM 384 OD2 ASP A 28 -18.983 2.437 -7.167 1.00 0.00 O ATOM 0 H ASP A 28 -16.467 -0.150 -3.223 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.890 -0.581 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.345 1.974 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -16.984 1.603 -5.627 1.00 0.00 H new ATOM 389 N GLY A 29 -16.721 -2.153 -5.036 1.00 0.00 N ATOM 390 CA GLY A 29 -15.872 -3.105 -5.707 1.00 0.00 C ATOM 391 C GLY A 29 -14.526 -2.525 -6.059 1.00 0.00 C ATOM 392 O GLY A 29 -14.080 -2.626 -7.201 1.00 0.00 O ATOM 0 H GLY A 29 -17.081 -2.466 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.733 -3.977 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.365 -3.450 -6.616 1.00 0.00 H new ATOM 396 N HIS A 30 -13.879 -1.909 -5.078 1.00 0.00 N ATOM 397 CA HIS A 30 -12.576 -1.310 -5.300 1.00 0.00 C ATOM 398 C HIS A 30 -11.483 -2.371 -5.345 1.00 0.00 C ATOM 399 O HIS A 30 -10.408 -2.199 -4.770 1.00 0.00 O ATOM 400 CB HIS A 30 -12.268 -0.252 -4.239 1.00 0.00 C ATOM 401 CG HIS A 30 -13.131 0.966 -4.377 1.00 0.00 C ATOM 402 ND1 HIS A 30 -13.124 1.759 -5.505 1.00 0.00 N ATOM 403 CD2 HIS A 30 -14.040 1.519 -3.539 1.00 0.00 C ATOM 404 CE1 HIS A 30 -13.990 2.745 -5.355 1.00 0.00 C ATOM 405 NE2 HIS A 30 -14.561 2.621 -4.172 1.00 0.00 N ATOM 0 H HIS A 30 -14.235 -1.813 -4.127 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.601 -0.814 -6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.410 -0.684 -3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.220 0.039 -4.313 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.306 1.160 -2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -14.196 3.521 -6.078 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.274 3.243 -3.790 1.00 0.00 H new ATOM 414 N ASP A 31 -11.765 -3.463 -6.049 1.00 0.00 N ATOM 415 CA ASP A 31 -10.809 -4.555 -6.198 1.00 0.00 C ATOM 416 C ASP A 31 -9.511 -4.045 -6.817 1.00 0.00 C ATOM 417 O ASP A 31 -8.459 -4.672 -6.689 1.00 0.00 O ATOM 418 CB ASP A 31 -11.404 -5.663 -7.070 1.00 0.00 C ATOM 419 CG ASP A 31 -10.435 -6.808 -7.294 1.00 0.00 C ATOM 420 OD1 ASP A 31 -10.013 -7.433 -6.298 1.00 0.00 O ATOM 421 OD2 ASP A 31 -10.098 -7.078 -8.466 1.00 0.00 O ATOM 0 H ASP A 31 -12.653 -3.615 -6.528 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.590 -4.961 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.310 -6.045 -6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.697 -5.245 -8.033 1.00 0.00 H new ATOM 426 N ASP A 32 -9.598 -2.895 -7.478 1.00 0.00 N ATOM 427 CA ASP A 32 -8.440 -2.277 -8.112 1.00 0.00 C ATOM 428 C ASP A 32 -7.455 -1.838 -7.063 1.00 0.00 C ATOM 429 O ASP A 32 -6.247 -1.825 -7.287 1.00 0.00 O ATOM 430 CB ASP A 32 -8.870 -1.086 -8.973 1.00 0.00 C ATOM 431 CG ASP A 32 -7.694 -0.387 -9.626 1.00 0.00 C ATOM 432 OD1 ASP A 32 -6.936 -1.057 -10.357 1.00 0.00 O ATOM 433 OD2 ASP A 32 -7.533 0.832 -9.410 1.00 0.00 O ATOM 0 H ASP A 32 -10.465 -2.370 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.962 -3.011 -8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.559 -1.430 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.415 -0.373 -8.355 1.00 0.00 H new ATOM 438 N VAL A 33 -7.985 -1.483 -5.914 1.00 0.00 N ATOM 439 CA VAL A 33 -7.171 -1.047 -4.817 1.00 0.00 C ATOM 440 C VAL A 33 -6.231 -2.148 -4.363 1.00 0.00 C ATOM 441 O VAL A 33 -5.032 -1.930 -4.237 1.00 0.00 O ATOM 442 CB VAL A 33 -8.040 -0.614 -3.653 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.176 -0.123 -2.507 1.00 0.00 C ATOM 444 CG2 VAL A 33 -9.012 0.452 -4.115 1.00 0.00 C ATOM 0 H VAL A 33 -8.986 -1.490 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.577 -0.200 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.615 -1.465 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.813 0.185 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.516 -0.926 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.578 0.725 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.636 0.763 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.457 1.311 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.643 0.050 -4.908 1.00 0.00 H new ATOM 454 N GLY A 34 -6.779 -3.338 -4.139 1.00 0.00 N ATOM 455 CA GLY A 34 -5.954 -4.458 -3.728 1.00 0.00 C ATOM 456 C GLY A 34 -4.979 -4.819 -4.815 1.00 0.00 C ATOM 457 O GLY A 34 -3.904 -5.349 -4.555 1.00 0.00 O ATOM 0 H GLY A 34 -7.773 -3.546 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.414 -4.204 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.585 -5.317 -3.497 1.00 0.00 H new ATOM 461 N GLN A 35 -5.364 -4.503 -6.043 1.00 0.00 N ATOM 462 CA GLN A 35 -4.539 -4.750 -7.197 1.00 0.00 C ATOM 463 C GLN A 35 -3.332 -3.832 -7.156 1.00 0.00 C ATOM 464 O GLN A 35 -2.208 -4.232 -7.459 1.00 0.00 O ATOM 465 CB GLN A 35 -5.378 -4.523 -8.450 1.00 0.00 C ATOM 466 CG GLN A 35 -4.584 -4.475 -9.732 1.00 0.00 C ATOM 467 CD GLN A 35 -3.901 -5.791 -10.050 1.00 0.00 C ATOM 468 OE1 GLN A 35 -4.556 -6.818 -10.225 1.00 0.00 O ATOM 469 NE2 GLN A 35 -2.574 -5.769 -10.122 1.00 0.00 N ATOM 0 H GLN A 35 -6.261 -4.067 -6.258 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.175 -5.778 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.119 -5.319 -8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.926 -3.587 -8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.247 -4.207 -10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.832 -3.689 -9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.069 -4.896 -9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.060 -6.625 -10.329 1.00 0.00 H new ATOM 478 N ARG A 36 -3.583 -2.605 -6.730 1.00 0.00 N ATOM 479 CA ARG A 36 -2.555 -1.613 -6.579 1.00 0.00 C ATOM 480 C ARG A 36 -1.716 -1.975 -5.369 1.00 0.00 C ATOM 481 O ARG A 36 -0.487 -1.989 -5.413 1.00 0.00 O ATOM 482 CB ARG A 36 -3.200 -0.251 -6.367 1.00 0.00 C ATOM 483 CG ARG A 36 -4.117 0.175 -7.492 1.00 0.00 C ATOM 484 CD ARG A 36 -3.354 0.977 -8.512 1.00 0.00 C ATOM 485 NE ARG A 36 -4.187 1.383 -9.640 1.00 0.00 N ATOM 486 CZ ARG A 36 -3.717 2.004 -10.716 1.00 0.00 C ATOM 487 NH1 ARG A 36 -2.421 2.271 -10.816 1.00 0.00 N ATOM 488 NH2 ARG A 36 -4.539 2.356 -11.695 1.00 0.00 N ATOM 0 H ARG A 36 -4.516 -2.276 -6.480 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.928 -1.576 -7.470 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.767 -0.269 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.416 0.497 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.556 -0.703 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.940 0.768 -7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.937 1.864 -8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.514 0.387 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.185 1.178 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.785 1.999 -10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.061 2.748 -11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.535 2.150 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.175 2.833 -12.520 1.00 0.00 H new ATOM 502 N LEU A 37 -2.429 -2.286 -4.294 1.00 0.00 N ATOM 503 CA LEU A 37 -1.868 -2.678 -3.043 1.00 0.00 C ATOM 504 C LEU A 37 -0.916 -3.841 -3.189 1.00 0.00 C ATOM 505 O LEU A 37 0.190 -3.831 -2.649 1.00 0.00 O ATOM 506 CB LEU A 37 -3.027 -3.061 -2.158 1.00 0.00 C ATOM 507 CG LEU A 37 -3.530 -1.946 -1.307 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.798 -2.323 -0.566 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.443 -1.519 -0.342 1.00 0.00 C ATOM 0 H LEU A 37 -3.449 -2.266 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.287 -1.859 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.843 -3.426 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.723 -3.887 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.786 -1.109 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.128 -1.481 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.577 -2.580 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.602 -3.180 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.810 -0.703 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.166 -2.363 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.570 -1.184 -0.902 1.00 0.00 H new ATOM 521 N GLU A 38 -1.358 -4.846 -3.918 1.00 0.00 N ATOM 522 CA GLU A 38 -0.554 -6.022 -4.135 1.00 0.00 C ATOM 523 C GLU A 38 0.664 -5.656 -4.938 1.00 0.00 C ATOM 524 O GLU A 38 1.791 -5.972 -4.575 1.00 0.00 O ATOM 525 CB GLU A 38 -1.364 -7.080 -4.869 1.00 0.00 C ATOM 526 CG GLU A 38 -0.773 -8.476 -4.764 1.00 0.00 C ATOM 527 CD GLU A 38 -1.393 -9.452 -5.743 1.00 0.00 C ATOM 528 OE1 GLU A 38 -2.268 -9.031 -6.528 1.00 0.00 O ATOM 529 OE2 GLU A 38 -1.000 -10.637 -5.727 1.00 0.00 O ATOM 0 H GLU A 38 -2.272 -4.868 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.242 -6.427 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.378 -7.092 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.439 -6.804 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.301 -8.425 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.912 -8.849 -3.749 1.00 0.00 H new ATOM 536 N SER A 39 0.406 -4.957 -6.016 1.00 0.00 N ATOM 537 CA SER A 39 1.463 -4.488 -6.900 1.00 0.00 C ATOM 538 C SER A 39 2.547 -3.821 -6.073 1.00 0.00 C ATOM 539 O SER A 39 3.734 -4.060 -6.271 1.00 0.00 O ATOM 540 CB SER A 39 0.901 -3.492 -7.911 1.00 0.00 C ATOM 541 OG SER A 39 1.864 -3.164 -8.898 1.00 0.00 O ATOM 0 H SER A 39 -0.535 -4.694 -6.311 1.00 0.00 H new ATOM 0 HA SER A 39 1.882 -5.337 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.017 -3.914 -8.388 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.583 -2.586 -7.395 1.00 0.00 H new ATOM 0 HG SER A 39 1.477 -2.526 -9.533 1.00 0.00 H new ATOM 547 N LEU A 40 2.118 -2.998 -5.126 1.00 0.00 N ATOM 548 CA LEU A 40 3.019 -2.304 -4.245 1.00 0.00 C ATOM 549 C LEU A 40 4.016 -3.265 -3.632 1.00 0.00 C ATOM 550 O LEU A 40 5.227 -3.072 -3.725 1.00 0.00 O ATOM 551 CB LEU A 40 2.227 -1.651 -3.122 1.00 0.00 C ATOM 552 CG LEU A 40 1.274 -0.533 -3.529 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.525 -0.029 -2.308 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.033 0.598 -4.195 1.00 0.00 C ATOM 0 H LEU A 40 1.132 -2.799 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 40 3.553 -1.552 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.650 -2.425 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.932 -1.251 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 40 0.554 -0.925 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.155 0.770 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.045 -0.847 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.237 0.352 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.336 1.387 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.772 0.999 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.538 0.223 -5.085 1.00 0.00 H new ATOM 566 N LEU A 41 3.486 -4.291 -2.984 1.00 0.00 N ATOM 567 CA LEU A 41 4.310 -5.283 -2.325 1.00 0.00 C ATOM 568 C LEU A 41 5.008 -6.216 -3.285 1.00 0.00 C ATOM 569 O LEU A 41 6.215 -6.376 -3.226 1.00 0.00 O ATOM 570 CB LEU A 41 3.473 -6.093 -1.390 1.00 0.00 C ATOM 571 CG LEU A 41 3.443 -5.585 0.044 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.602 -6.506 0.899 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.850 -5.487 0.609 1.00 0.00 C ATOM 0 H LEU A 41 2.483 -4.456 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 41 5.082 -4.733 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.452 -6.122 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.843 -7.118 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 41 3.001 -4.589 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.585 -6.136 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.585 -6.538 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.029 -7.509 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.805 -5.122 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.317 -6.472 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.438 -4.797 0.004 1.00 0.00 H new ATOM 585 N ARG A 42 4.253 -6.854 -4.156 1.00 0.00 N ATOM 586 CA ARG A 42 4.847 -7.780 -5.096 1.00 0.00 C ATOM 587 C ARG A 42 6.076 -7.143 -5.716 1.00 0.00 C ATOM 588 O ARG A 42 7.027 -7.825 -6.098 1.00 0.00 O ATOM 589 CB ARG A 42 3.841 -8.181 -6.178 1.00 0.00 C ATOM 590 CG ARG A 42 4.404 -9.133 -7.221 1.00 0.00 C ATOM 591 CD ARG A 42 4.724 -10.492 -6.623 1.00 0.00 C ATOM 592 NE ARG A 42 3.537 -11.131 -6.063 1.00 0.00 N ATOM 593 CZ ARG A 42 3.547 -12.327 -5.484 1.00 0.00 C ATOM 594 NH1 ARG A 42 4.679 -13.013 -5.391 1.00 0.00 N ATOM 595 NH2 ARG A 42 2.424 -12.839 -4.999 1.00 0.00 N ATOM 0 H ARG A 42 3.241 -6.750 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 42 5.139 -8.687 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.978 -8.648 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.482 -7.281 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.685 -9.252 -8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.307 -8.704 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.155 -11.135 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.477 -10.378 -5.844 1.00 0.00 H new ATOM 0 HE ARG A 42 2.650 -10.631 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.544 -12.622 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.684 -13.931 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.552 -12.315 -5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.432 -13.757 -4.555 1.00 0.00 H new ATOM 609 N ARG A 43 6.060 -5.818 -5.765 1.00 0.00 N ATOM 610 CA ARG A 43 7.176 -5.064 -6.279 1.00 0.00 C ATOM 611 C ARG A 43 8.131 -4.748 -5.137 1.00 0.00 C ATOM 612 O ARG A 43 9.349 -4.740 -5.308 1.00 0.00 O ATOM 613 CB ARG A 43 6.715 -3.775 -6.965 1.00 0.00 C ATOM 614 CG ARG A 43 5.791 -4.001 -8.154 1.00 0.00 C ATOM 615 CD ARG A 43 6.385 -4.972 -9.160 1.00 0.00 C ATOM 616 NE ARG A 43 5.564 -5.088 -10.361 1.00 0.00 N ATOM 617 CZ ARG A 43 5.878 -5.859 -11.398 1.00 0.00 C ATOM 618 NH1 ARG A 43 6.996 -6.574 -11.383 1.00 0.00 N ATOM 619 NH2 ARG A 43 5.076 -5.916 -12.451 1.00 0.00 N ATOM 0 H ARG A 43 5.276 -5.247 -5.450 1.00 0.00 H new ATOM 0 HA ARG A 43 7.687 -5.665 -7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.203 -3.150 -6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.592 -3.220 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.834 -4.385 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.591 -3.048 -8.644 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.386 -4.640 -9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.491 -5.953 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 43 4.700 -4.547 -10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.617 -6.533 -10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.234 -7.165 -12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.216 -5.368 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.319 -6.508 -13.245 1.00 0.00 H new ATOM 633 N TRP A 44 7.554 -4.504 -3.960 1.00 0.00 N ATOM 634 CA TRP A 44 8.315 -4.204 -2.769 1.00 0.00 C ATOM 635 C TRP A 44 9.074 -5.437 -2.282 1.00 0.00 C ATOM 636 O TRP A 44 10.300 -5.420 -2.169 1.00 0.00 O ATOM 637 CB TRP A 44 7.371 -3.727 -1.681 1.00 0.00 C ATOM 638 CG TRP A 44 8.076 -3.414 -0.413 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.852 -4.018 0.772 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.113 -2.445 -0.191 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.663 -3.481 1.743 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.452 -2.520 1.171 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.789 -1.518 -0.999 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.429 -1.712 1.738 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.755 -0.719 -0.415 1.00 0.00 C ATOM 646 CH2 TRP A 44 11.063 -0.822 0.929 1.00 0.00 C ATOM 0 H TRP A 44 6.544 -4.511 -3.816 1.00 0.00 H new ATOM 0 HA TRP A 44 9.040 -3.425 -3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.842 -2.839 -2.027 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.619 -4.494 -1.495 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.137 -4.811 0.935 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.675 -3.753 2.726 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.561 -1.431 -2.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.677 -1.788 2.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.281 0.002 -1.023 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.825 -0.180 1.346 1.00 0.00 H new ATOM 657 N ASN A 45 8.327 -6.502 -1.995 1.00 0.00 N ATOM 658 CA ASN A 45 8.904 -7.748 -1.519 1.00 0.00 C ATOM 659 C ASN A 45 9.960 -8.284 -2.473 1.00 0.00 C ATOM 660 O ASN A 45 10.959 -8.869 -2.053 1.00 0.00 O ATOM 661 CB ASN A 45 7.787 -8.768 -1.326 1.00 0.00 C ATOM 662 CG ASN A 45 6.959 -8.492 -0.098 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.709 -8.116 -0.318 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 7.438 -8.599 1.030 1.00 0.00 N flip ATOM 0 H ASN A 45 7.311 -6.521 -2.087 1.00 0.00 H new ATOM 0 HA ASN A 45 9.403 -7.560 -0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.141 -8.765 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.219 -9.766 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.408 -8.893 1.146 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.865 -8.394 1.849 1.00 0.00 H new ATOM 671 N SER A 46 9.727 -8.081 -3.753 1.00 0.00 N ATOM 672 CA SER A 46 10.649 -8.540 -4.786 1.00 0.00 C ATOM 673 C SER A 46 11.982 -7.809 -4.699 1.00 0.00 C ATOM 674 O SER A 46 13.046 -8.428 -4.756 1.00 0.00 O ATOM 675 CB SER A 46 10.036 -8.331 -6.166 1.00 0.00 C ATOM 676 OG SER A 46 10.877 -8.840 -7.185 1.00 0.00 O ATOM 0 H SER A 46 8.903 -7.598 -4.111 1.00 0.00 H new ATOM 0 HA SER A 46 10.830 -9.603 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.065 -8.824 -6.213 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.863 -7.268 -6.332 1.00 0.00 H new ATOM 0 HG SER A 46 10.458 -8.694 -8.059 1.00 0.00 H new ATOM 682 N ARG A 47 11.919 -6.488 -4.560 1.00 0.00 N ATOM 683 CA ARG A 47 13.120 -5.672 -4.462 1.00 0.00 C ATOM 684 C ARG A 47 13.964 -6.105 -3.277 1.00 0.00 C ATOM 685 O ARG A 47 15.193 -6.081 -3.333 1.00 0.00 O ATOM 686 CB ARG A 47 12.744 -4.202 -4.344 1.00 0.00 C ATOM 687 CG ARG A 47 12.052 -3.667 -5.583 1.00 0.00 C ATOM 688 CD ARG A 47 11.428 -2.316 -5.317 1.00 0.00 C ATOM 689 NE ARG A 47 10.793 -1.751 -6.506 1.00 0.00 N ATOM 690 CZ ARG A 47 11.451 -1.439 -7.620 1.00 0.00 C ATOM 691 NH1 ARG A 47 12.762 -1.627 -7.698 1.00 0.00 N ATOM 692 NH2 ARG A 47 10.797 -0.936 -8.658 1.00 0.00 N ATOM 0 H ARG A 47 11.047 -5.961 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 47 13.711 -5.809 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.090 -4.068 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.644 -3.616 -4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.771 -3.585 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.283 -4.369 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.687 -2.411 -4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.194 -1.630 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 47 9.787 -1.586 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.270 -2.012 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.262 -1.386 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.789 -0.788 -8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.302 -0.697 -9.512 1.00 0.00 H new ATOM 706 N ARG A 48 13.292 -6.523 -2.211 1.00 0.00 N ATOM 707 CA ARG A 48 13.976 -6.988 -1.016 1.00 0.00 C ATOM 708 C ARG A 48 14.952 -8.092 -1.384 1.00 0.00 C ATOM 709 O ARG A 48 16.137 -8.035 -1.057 1.00 0.00 O ATOM 710 CB ARG A 48 12.960 -7.516 -0.010 1.00 0.00 C ATOM 711 CG ARG A 48 12.061 -6.441 0.575 1.00 0.00 C ATOM 712 CD ARG A 48 11.039 -7.037 1.527 1.00 0.00 C ATOM 713 NE ARG A 48 11.673 -7.725 2.647 1.00 0.00 N ATOM 714 CZ ARG A 48 10.997 -8.340 3.613 1.00 0.00 C ATOM 715 NH1 ARG A 48 9.672 -8.348 3.598 1.00 0.00 N ATOM 716 NH2 ARG A 48 11.648 -8.947 4.596 1.00 0.00 N ATOM 0 H ARG A 48 12.274 -6.549 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 48 14.522 -6.157 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.340 -8.270 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.491 -8.014 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.667 -5.704 1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.548 -5.915 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.392 -6.246 1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.403 -7.736 0.985 1.00 0.00 H new ATOM 0 HE ARG A 48 12.692 -7.735 2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.168 -7.882 2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.156 -8.821 4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.668 -8.942 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.129 -9.419 5.337 1.00 0.00 H new ATOM 730 N ALA A 49 14.430 -9.087 -2.086 1.00 0.00 N ATOM 731 CA ALA A 49 15.228 -10.218 -2.534 1.00 0.00 C ATOM 732 C ALA A 49 16.405 -9.751 -3.375 1.00 0.00 C ATOM 733 O ALA A 49 17.519 -10.261 -3.253 1.00 0.00 O ATOM 734 CB ALA A 49 14.361 -11.188 -3.324 1.00 0.00 C ATOM 0 H ALA A 49 13.448 -9.133 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 49 15.622 -10.731 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.967 -12.031 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.551 -11.550 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.943 -10.678 -4.192 1.00 0.00 H new ATOM 946 N ALA B 7 -9.459 8.616 0.862 1.00 0.00 N ATOM 947 CA ALA B 7 -10.293 8.310 -0.292 1.00 0.00 C ATOM 948 C ALA B 7 -10.001 9.266 -1.440 1.00 0.00 C ATOM 949 O ALA B 7 -10.906 9.687 -2.160 1.00 0.00 O ATOM 950 CB ALA B 7 -11.767 8.357 0.082 1.00 0.00 C ATOM 0 HA ALA B 7 -10.055 7.299 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.372 8.125 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -11.967 7.625 0.865 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -12.019 9.354 0.444 1.00 0.00 H new ATOM 956 N VAL B 8 -8.724 9.592 -1.606 1.00 0.00 N ATOM 957 CA VAL B 8 -8.286 10.481 -2.671 1.00 0.00 C ATOM 958 C VAL B 8 -8.235 9.710 -3.989 1.00 0.00 C ATOM 959 O VAL B 8 -7.194 9.627 -4.644 1.00 0.00 O ATOM 960 CB VAL B 8 -6.905 11.089 -2.347 1.00 0.00 C ATOM 961 CG1 VAL B 8 -5.827 10.018 -2.313 1.00 0.00 C ATOM 962 CG2 VAL B 8 -6.551 12.191 -3.337 1.00 0.00 C ATOM 0 H VAL B 8 -7.970 9.250 -1.010 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.998 11.301 -2.761 1.00 0.00 H new ATOM 0 HB VAL B 8 -6.961 11.534 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -4.865 10.477 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -6.070 9.281 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -5.771 9.527 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.573 12.604 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -6.524 11.779 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.301 12.980 -3.287 1.00 0.00 H new ATOM 972 N ASP B 9 -9.372 9.111 -4.342 1.00 0.00 N ATOM 973 CA ASP B 9 -9.487 8.296 -5.544 1.00 0.00 C ATOM 974 C ASP B 9 -8.859 6.931 -5.289 1.00 0.00 C ATOM 975 O ASP B 9 -8.935 6.044 -6.133 1.00 0.00 O ATOM 976 CB ASP B 9 -8.831 8.973 -6.751 1.00 0.00 C ATOM 977 CG ASP B 9 -9.490 10.291 -7.104 1.00 0.00 C ATOM 978 OD1 ASP B 9 -10.701 10.287 -7.409 1.00 0.00 O ATOM 979 OD2 ASP B 9 -8.795 11.329 -7.078 1.00 0.00 O ATOM 0 H ASP B 9 -10.235 9.179 -3.803 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.544 8.174 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -7.775 9.143 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -8.880 8.304 -7.610 1.00 0.00 H new ATOM 984 N ILE B 10 -8.258 6.792 -4.097 1.00 0.00 N ATOM 985 CA ILE B 10 -7.607 5.556 -3.647 1.00 0.00 C ATOM 986 C ILE B 10 -6.356 5.232 -4.473 1.00 0.00 C ATOM 987 O ILE B 10 -5.301 4.952 -3.911 1.00 0.00 O ATOM 988 CB ILE B 10 -8.595 4.358 -3.635 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.222 3.373 -2.524 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.626 3.636 -4.973 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.124 3.999 -1.148 1.00 0.00 C ATOM 0 H ILE B 10 -8.211 7.546 -3.411 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.283 5.728 -2.621 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.591 4.760 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.964 2.575 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.266 2.910 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.329 2.805 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -8.940 4.329 -5.753 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.631 3.256 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.856 3.235 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.360 4.777 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.085 4.437 -0.878 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.468 5.285 -5.796 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.329 5.000 -6.652 1.00 0.00 C ATOM 1005 C GLY B 11 -4.186 5.979 -6.466 1.00 0.00 C ATOM 1006 O GLY B 11 -3.020 5.604 -6.583 1.00 0.00 O ATOM 0 H GLY B 11 -7.328 5.520 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -4.972 3.991 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.651 5.020 -7.693 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.516 7.237 -6.189 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.503 8.272 -6.000 1.00 0.00 C ATOM 1012 C ASP B 12 -2.497 7.876 -4.923 1.00 0.00 C ATOM 1013 O ASP B 12 -1.287 7.950 -5.138 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.164 9.601 -5.636 1.00 0.00 C ATOM 1015 CG ASP B 12 -4.999 10.158 -6.772 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -5.919 9.452 -7.234 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -4.733 11.300 -7.200 1.00 0.00 O ATOM 0 H ASP B 12 -5.477 7.565 -6.090 1.00 0.00 H new ATOM 0 HA ASP B 12 -2.964 8.386 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -4.795 9.462 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -3.395 10.324 -5.364 1.00 0.00 H new ATOM 1022 N ARG B 13 -2.999 7.452 -3.767 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.130 7.042 -2.670 1.00 0.00 C ATOM 1024 C ARG B 13 -1.333 5.800 -3.051 1.00 0.00 C ATOM 1025 O ARG B 13 -0.142 5.705 -2.765 1.00 0.00 O ATOM 1026 CB ARG B 13 -2.948 6.770 -1.410 1.00 0.00 C ATOM 1027 CG ARG B 13 -3.646 7.999 -0.859 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.435 7.669 0.395 1.00 0.00 C ATOM 1029 NE ARG B 13 -5.122 8.836 0.940 1.00 0.00 N ATOM 1030 CZ ARG B 13 -4.496 9.911 1.409 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -3.171 9.969 1.404 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -5.196 10.930 1.887 1.00 0.00 N ATOM 0 H ARG B 13 -3.997 7.384 -3.567 1.00 0.00 H new ATOM 0 HA ARG B 13 -1.434 7.856 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -3.695 6.007 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -2.291 6.361 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -2.908 8.769 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -4.315 8.409 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -5.166 6.893 0.168 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -3.761 7.262 1.149 1.00 0.00 H new ATOM 0 HE ARG B 13 -6.142 8.826 0.962 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -2.628 9.187 1.039 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -2.695 10.796 1.765 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -6.215 10.889 1.895 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -4.716 11.755 2.247 1.00 0.00 H new ATOM 1046 N LEU B 14 -2.003 4.854 -3.702 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.363 3.615 -4.134 1.00 0.00 C ATOM 1048 C LEU B 14 -0.172 3.906 -5.043 1.00 0.00 C ATOM 1049 O LEU B 14 0.906 3.338 -4.876 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.370 2.730 -4.878 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.294 1.876 -4.001 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -2.516 0.767 -3.329 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -3.997 2.717 -2.964 1.00 0.00 C ATOM 0 H LEU B 14 -2.992 4.922 -3.943 1.00 0.00 H new ATOM 0 HA LEU B 14 -1.007 3.092 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -2.989 3.369 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.818 2.066 -5.543 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.050 1.434 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -3.189 0.173 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -2.062 0.130 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -1.735 1.198 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -4.644 2.082 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -3.258 3.198 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -4.598 3.479 -3.460 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.384 4.792 -6.010 1.00 0.00 N ATOM 1066 CA ASP B 15 0.660 5.160 -6.957 1.00 0.00 C ATOM 1067 C ASP B 15 1.826 5.850 -6.255 1.00 0.00 C ATOM 1068 O ASP B 15 2.982 5.483 -6.453 1.00 0.00 O ATOM 1069 CB ASP B 15 0.086 6.076 -8.039 1.00 0.00 C ATOM 1070 CG ASP B 15 1.105 6.428 -9.104 1.00 0.00 C ATOM 1071 OD1 ASP B 15 1.613 5.500 -9.768 1.00 0.00 O ATOM 1072 OD2 ASP B 15 1.396 7.631 -9.274 1.00 0.00 O ATOM 0 H ASP B 15 -1.273 5.270 -6.158 1.00 0.00 H new ATOM 0 HA ASP B 15 1.035 4.246 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.769 5.588 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -0.282 6.992 -7.577 1.00 0.00 H new ATOM 1077 N GLU B 16 1.513 6.851 -5.439 1.00 0.00 N ATOM 1078 CA GLU B 16 2.538 7.593 -4.713 1.00 0.00 C ATOM 1079 C GLU B 16 3.302 6.687 -3.753 1.00 0.00 C ATOM 1080 O GLU B 16 4.519 6.810 -3.608 1.00 0.00 O ATOM 1081 CB GLU B 16 1.910 8.758 -3.946 1.00 0.00 C ATOM 1082 CG GLU B 16 1.226 9.777 -4.844 1.00 0.00 C ATOM 1083 CD GLU B 16 0.649 10.944 -4.068 1.00 0.00 C ATOM 1084 OE1 GLU B 16 1.426 11.652 -3.394 1.00 0.00 O ATOM 1085 OE2 GLU B 16 -0.581 11.151 -4.136 1.00 0.00 O ATOM 0 H GLU B 16 0.559 7.167 -5.264 1.00 0.00 H new ATOM 0 HA GLU B 16 3.245 7.987 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU B 16 1.182 8.365 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.684 9.259 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.943 10.151 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.428 9.287 -5.402 1.00 0.00 H new ATOM 1092 N LEU B 17 2.585 5.777 -3.099 1.00 0.00 N ATOM 1093 CA LEU B 17 3.206 4.854 -2.156 1.00 0.00 C ATOM 1094 C LEU B 17 4.246 3.994 -2.874 1.00 0.00 C ATOM 1095 O LEU B 17 5.342 3.771 -2.361 1.00 0.00 O ATOM 1096 CB LEU B 17 2.149 3.970 -1.491 1.00 0.00 C ATOM 1097 CG LEU B 17 2.590 3.337 -0.167 1.00 0.00 C ATOM 1098 CD1 LEU B 17 1.388 2.941 0.672 1.00 0.00 C ATOM 1099 CD2 LEU B 17 3.503 2.146 -0.411 1.00 0.00 C ATOM 0 H LEU B 17 1.577 5.660 -3.205 1.00 0.00 H new ATOM 0 HA LEU B 17 3.704 5.433 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.254 4.567 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.870 3.176 -2.184 1.00 0.00 H new ATOM 0 HG LEU B 17 3.156 4.083 0.391 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.728 2.494 1.606 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.789 3.825 0.889 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.783 2.219 0.123 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.802 1.715 0.544 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.973 1.396 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.389 2.472 -0.955 1.00 0.00 H new ATOM 1111 N GLU B 18 3.894 3.518 -4.072 1.00 0.00 N ATOM 1112 CA GLU B 18 4.800 2.689 -4.867 1.00 0.00 C ATOM 1113 C GLU B 18 6.011 3.505 -5.294 1.00 0.00 C ATOM 1114 O GLU B 18 7.154 3.111 -5.063 1.00 0.00 O ATOM 1115 CB GLU B 18 4.081 2.146 -6.109 1.00 0.00 C ATOM 1116 CG GLU B 18 4.650 0.834 -6.636 1.00 0.00 C ATOM 1117 CD GLU B 18 6.040 0.959 -7.228 1.00 0.00 C ATOM 1118 OE1 GLU B 18 6.497 2.097 -7.453 1.00 0.00 O ATOM 1119 OE2 GLU B 18 6.665 -0.090 -7.490 1.00 0.00 O ATOM 0 H GLU B 18 2.990 3.693 -4.510 1.00 0.00 H new ATOM 0 HA GLU B 18 5.127 1.849 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU B 18 3.027 2.003 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU B 18 4.130 2.894 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU B 18 4.676 0.109 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU B 18 3.977 0.437 -7.396 1.00 0.00 H new ATOM 1126 N LYS B 19 5.743 4.653 -5.911 1.00 0.00 N ATOM 1127 CA LYS B 19 6.798 5.545 -6.367 1.00 0.00 C ATOM 1128 C LYS B 19 7.771 5.810 -5.232 1.00 0.00 C ATOM 1129 O LYS B 19 8.981 5.917 -5.437 1.00 0.00 O ATOM 1130 CB LYS B 19 6.198 6.866 -6.857 1.00 0.00 C ATOM 1131 CG LYS B 19 5.232 6.705 -8.021 1.00 0.00 C ATOM 1132 CD LYS B 19 5.952 6.319 -9.304 1.00 0.00 C ATOM 1133 CE LYS B 19 6.879 7.427 -9.776 1.00 0.00 C ATOM 1134 NZ LYS B 19 7.563 7.077 -11.051 1.00 0.00 N ATOM 0 H LYS B 19 4.799 4.986 -6.106 1.00 0.00 H new ATOM 0 HA LYS B 19 7.329 5.072 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.678 7.348 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS B 19 7.006 7.533 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS B 19 4.492 5.943 -7.776 1.00 0.00 H new ATOM 0 HG3 LYS B 19 4.690 7.638 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.527 5.407 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS B 19 5.220 6.099 -10.081 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.307 8.345 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.625 7.627 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.185 7.860 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.130 6.216 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.852 6.911 -11.792 1.00 0.00 H new ATOM 1148 N ALA B 20 7.223 5.909 -4.029 1.00 0.00 N ATOM 1149 CA ALA B 20 8.017 6.154 -2.840 1.00 0.00 C ATOM 1150 C ALA B 20 8.898 4.958 -2.508 1.00 0.00 C ATOM 1151 O ALA B 20 10.087 5.114 -2.232 1.00 0.00 O ATOM 1152 CB ALA B 20 7.111 6.485 -1.673 1.00 0.00 C ATOM 0 H ALA B 20 6.222 5.822 -3.853 1.00 0.00 H new ATOM 0 HA ALA B 20 8.671 7.004 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA B 20 7.715 6.668 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.529 7.377 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.436 5.649 -1.488 1.00 0.00 H new ATOM 1158 N LEU B 21 8.314 3.761 -2.541 1.00 0.00 N ATOM 1159 CA LEU B 21 9.072 2.552 -2.245 1.00 0.00 C ATOM 1160 C LEU B 21 10.257 2.435 -3.187 1.00 0.00 C ATOM 1161 O LEU B 21 11.331 2.002 -2.787 1.00 0.00 O ATOM 1162 CB LEU B 21 8.213 1.292 -2.369 1.00 0.00 C ATOM 1163 CG LEU B 21 6.954 1.216 -1.500 1.00 0.00 C ATOM 1164 CD1 LEU B 21 6.767 -0.200 -0.991 1.00 0.00 C ATOM 1165 CD2 LEU B 21 7.020 2.176 -0.331 1.00 0.00 C ATOM 0 H LEU B 21 7.332 3.606 -2.767 1.00 0.00 H new ATOM 0 HA LEU B 21 9.415 2.633 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.911 1.190 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.839 0.432 -2.133 1.00 0.00 H new ATOM 0 HG LEU B 21 6.104 1.503 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.870 -0.249 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.663 -0.880 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.633 -0.490 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.109 2.092 0.261 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.881 1.932 0.292 1.00 0.00 H new ATOM 0 HD23 LEU B 21 7.118 3.196 -0.703 1.00 0.00 H new ATOM 1177 N GLU B 22 10.052 2.824 -4.443 1.00 0.00 N ATOM 1178 CA GLU B 22 11.113 2.763 -5.442 1.00 0.00 C ATOM 1179 C GLU B 22 12.396 3.362 -4.882 1.00 0.00 C ATOM 1180 O GLU B 22 13.489 2.838 -5.098 1.00 0.00 O ATOM 1181 CB GLU B 22 10.696 3.502 -6.715 1.00 0.00 C ATOM 1182 CG GLU B 22 9.478 2.899 -7.396 1.00 0.00 C ATOM 1183 CD GLU B 22 9.108 3.622 -8.677 1.00 0.00 C ATOM 1184 OE1 GLU B 22 8.825 4.836 -8.613 1.00 0.00 O ATOM 1185 OE2 GLU B 22 9.101 2.971 -9.744 1.00 0.00 O ATOM 0 H GLU B 22 9.163 3.184 -4.791 1.00 0.00 H new ATOM 0 HA GLU B 22 11.292 1.718 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.486 4.543 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.531 3.502 -7.416 1.00 0.00 H new ATOM 0 HG2 GLU B 22 9.673 1.850 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.632 2.927 -6.710 1.00 0.00 H new ATOM 1192 N ALA B 23 12.248 4.457 -4.145 1.00 0.00 N ATOM 1193 CA ALA B 23 13.383 5.126 -3.530 1.00 0.00 C ATOM 1194 C ALA B 23 13.900 4.324 -2.340 1.00 0.00 C ATOM 1195 O ALA B 23 15.104 4.177 -2.152 1.00 0.00 O ATOM 1196 CB ALA B 23 12.993 6.531 -3.094 1.00 0.00 C ATOM 0 H ALA B 23 11.348 4.900 -3.960 1.00 0.00 H new ATOM 0 HA ALA B 23 14.183 5.198 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA B 23 13.852 7.021 -2.635 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.669 7.105 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.178 6.475 -2.372 1.00 0.00 H new ATOM 1202 N LEU B 24 12.972 3.812 -1.539 1.00 0.00 N ATOM 1203 CA LEU B 24 13.305 3.025 -0.359 1.00 0.00 C ATOM 1204 C LEU B 24 13.406 1.545 -0.698 1.00 0.00 C ATOM 1205 O LEU B 24 13.409 0.702 0.193 1.00 0.00 O ATOM 1206 CB LEU B 24 12.232 3.227 0.703 1.00 0.00 C ATOM 1207 CG LEU B 24 12.033 4.674 1.143 1.00 0.00 C ATOM 1208 CD1 LEU B 24 10.682 4.832 1.807 1.00 0.00 C ATOM 1209 CD2 LEU B 24 13.144 5.103 2.086 1.00 0.00 C ATOM 0 H LEU B 24 11.970 3.931 -1.690 1.00 0.00 H new ATOM 0 HA LEU B 24 14.272 3.360 0.015 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.286 2.845 0.321 1.00 0.00 H new ATOM 0 HB3 LEU B 24 12.488 2.628 1.577 1.00 0.00 H new ATOM 0 HG LEU B 24 12.068 5.316 0.263 1.00 0.00 H new ATOM 0 HD11 LEU B 24 10.548 5.868 2.118 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.896 4.560 1.102 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.627 4.181 2.680 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.985 6.138 2.389 1.00 0.00 H new ATOM 0 HD22 LEU B 24 13.141 4.462 2.968 1.00 0.00 H new ATOM 0 HD23 LEU B 24 14.105 5.017 1.579 1.00 0.00 H new ATOM 1221 N SER B 25 13.450 1.244 -1.991 1.00 0.00 N ATOM 1222 CA SER B 25 13.507 -0.135 -2.466 1.00 0.00 C ATOM 1223 C SER B 25 14.616 -0.934 -1.789 1.00 0.00 C ATOM 1224 O SER B 25 15.685 -1.153 -2.361 1.00 0.00 O ATOM 1225 CB SER B 25 13.682 -0.163 -3.981 1.00 0.00 C ATOM 1226 OG SER B 25 14.944 0.353 -4.366 1.00 0.00 O ATOM 0 H SER B 25 13.447 1.942 -2.735 1.00 0.00 H new ATOM 0 HA SER B 25 12.562 -0.609 -2.202 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.581 -1.187 -4.341 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.890 0.420 -4.451 1.00 0.00 H new ATOM 0 HG SER B 25 15.639 -0.010 -3.778 1.00 0.00 H new ATOM 1232 N ALA B 26 14.336 -1.384 -0.569 1.00 0.00 N ATOM 1233 CA ALA B 26 15.277 -2.180 0.205 1.00 0.00 C ATOM 1234 C ALA B 26 16.665 -1.542 0.256 1.00 0.00 C ATOM 1235 O ALA B 26 17.678 -2.241 0.206 1.00 0.00 O ATOM 1236 CB ALA B 26 15.355 -3.581 -0.377 1.00 0.00 C ATOM 0 H ALA B 26 13.452 -1.206 -0.092 1.00 0.00 H new ATOM 0 HA ALA B 26 14.913 -2.229 1.231 1.00 0.00 H new ATOM 0 HB1 ALA B 26 16.060 -4.177 0.203 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.370 -4.046 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.691 -3.527 -1.412 1.00 0.00 H new ATOM 1242 N GLU B 27 16.711 -0.218 0.365 1.00 0.00 N ATOM 1243 CA GLU B 27 17.982 0.496 0.432 1.00 0.00 C ATOM 1244 C GLU B 27 18.632 0.351 1.804 1.00 0.00 C ATOM 1245 O GLU B 27 19.856 0.368 1.923 1.00 0.00 O ATOM 1246 CB GLU B 27 17.804 1.978 0.099 1.00 0.00 C ATOM 1247 CG GLU B 27 17.600 2.252 -1.381 1.00 0.00 C ATOM 1248 CD GLU B 27 17.712 3.725 -1.722 1.00 0.00 C ATOM 1249 OE1 GLU B 27 17.903 4.538 -0.793 1.00 0.00 O ATOM 1250 OE2 GLU B 27 17.608 4.067 -2.919 1.00 0.00 O ATOM 0 H GLU B 27 15.886 0.381 0.409 1.00 0.00 H new ATOM 0 HA GLU B 27 18.639 0.046 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.948 2.365 0.652 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.681 2.526 0.443 1.00 0.00 H new ATOM 0 HG2 GLU B 27 18.338 1.693 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.618 1.887 -1.682 1.00 0.00 H new ATOM 1257 N ASP B 28 17.809 0.221 2.842 1.00 0.00 N ATOM 1258 CA ASP B 28 18.324 0.090 4.201 1.00 0.00 C ATOM 1259 C ASP B 28 17.412 -0.793 5.052 1.00 0.00 C ATOM 1260 O ASP B 28 16.951 -0.385 6.117 1.00 0.00 O ATOM 1261 CB ASP B 28 18.471 1.476 4.839 1.00 0.00 C ATOM 1262 CG ASP B 28 19.281 1.454 6.121 1.00 0.00 C ATOM 1263 OD1 ASP B 28 18.831 0.830 7.104 1.00 0.00 O ATOM 1264 OD2 ASP B 28 20.373 2.058 6.141 1.00 0.00 O ATOM 0 H ASP B 28 16.792 0.204 2.769 1.00 0.00 H new ATOM 0 HA ASP B 28 19.303 -0.387 4.153 1.00 0.00 H new ATOM 0 HB2 ASP B 28 18.947 2.150 4.126 1.00 0.00 H new ATOM 0 HB3 ASP B 28 17.481 1.881 5.048 1.00 0.00 H new ATOM 1269 N GLY B 29 17.157 -2.008 4.571 1.00 0.00 N ATOM 1270 CA GLY B 29 16.308 -2.932 5.302 1.00 0.00 C ATOM 1271 C GLY B 29 14.962 -2.331 5.650 1.00 0.00 C ATOM 1272 O GLY B 29 14.532 -2.382 6.803 1.00 0.00 O ATOM 0 H GLY B 29 17.523 -2.368 3.689 1.00 0.00 H new ATOM 0 HA2 GLY B 29 16.157 -3.832 4.705 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.814 -3.238 6.218 1.00 0.00 H new ATOM 1276 N HIS B 30 14.301 -1.756 4.653 1.00 0.00 N ATOM 1277 CA HIS B 30 12.997 -1.135 4.852 1.00 0.00 C ATOM 1278 C HIS B 30 11.891 -2.177 5.004 1.00 0.00 C ATOM 1279 O HIS B 30 10.765 -1.966 4.561 1.00 0.00 O ATOM 1280 CB HIS B 30 12.694 -0.192 3.685 1.00 0.00 C ATOM 1281 CG HIS B 30 13.477 1.081 3.741 1.00 0.00 C ATOM 1282 ND1 HIS B 30 14.316 1.646 2.843 1.00 0.00 N flip ATOM 1283 CD2 HIS B 30 13.450 1.932 4.827 1.00 0.00 C flip ATOM 1284 CE1 HIS B 30 14.779 2.814 3.397 1.00 0.00 C flip ATOM 1285 NE2 HIS B 30 14.242 2.963 4.594 1.00 0.00 N flip ATOM 0 H HIS B 30 14.648 -1.707 3.695 1.00 0.00 H new ATOM 0 HA HIS B 30 13.029 -0.564 5.780 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.910 -0.703 2.747 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.630 0.043 3.682 1.00 0.00 H new ATOM 0 HD1 HIS B 30 14.559 1.274 1.925 1.00 0.00 H new ATOM 0 HD2 HIS B 30 12.872 1.779 5.726 1.00 0.00 H new ATOM 0 HE1 HIS B 30 15.470 3.500 2.929 1.00 0.00 H new ATOM 1294 N ASP B 31 12.213 -3.296 5.650 1.00 0.00 N ATOM 1295 CA ASP B 31 11.238 -4.360 5.870 1.00 0.00 C ATOM 1296 C ASP B 31 9.948 -3.794 6.452 1.00 0.00 C ATOM 1297 O ASP B 31 8.862 -4.321 6.209 1.00 0.00 O ATOM 1298 CB ASP B 31 11.812 -5.425 6.807 1.00 0.00 C ATOM 1299 CG ASP B 31 10.810 -6.520 7.120 1.00 0.00 C ATOM 1300 OD1 ASP B 31 10.332 -7.176 6.171 1.00 0.00 O ATOM 1301 OD2 ASP B 31 10.505 -6.722 8.314 1.00 0.00 O ATOM 0 H ASP B 31 13.140 -3.488 6.029 1.00 0.00 H new ATOM 0 HA ASP B 31 11.014 -4.821 4.908 1.00 0.00 H new ATOM 0 HB2 ASP B 31 12.698 -5.867 6.351 1.00 0.00 H new ATOM 0 HB3 ASP B 31 12.133 -4.953 7.736 1.00 0.00 H new ATOM 1306 N ASP B 32 10.078 -2.716 7.219 1.00 0.00 N ATOM 1307 CA ASP B 32 8.926 -2.070 7.834 1.00 0.00 C ATOM 1308 C ASP B 32 7.890 -1.701 6.779 1.00 0.00 C ATOM 1309 O ASP B 32 6.691 -1.885 6.988 1.00 0.00 O ATOM 1310 CB ASP B 32 9.362 -0.819 8.601 1.00 0.00 C ATOM 1311 CG ASP B 32 8.216 -0.163 9.347 1.00 0.00 C ATOM 1312 OD1 ASP B 32 7.225 0.224 8.696 1.00 0.00 O ATOM 1313 OD2 ASP B 32 8.312 -0.035 10.586 1.00 0.00 O ATOM 0 H ASP B 32 10.972 -2.272 7.429 1.00 0.00 H new ATOM 0 HA ASP B 32 8.474 -2.773 8.534 1.00 0.00 H new ATOM 0 HB2 ASP B 32 10.146 -1.087 9.310 1.00 0.00 H new ATOM 0 HB3 ASP B 32 9.794 -0.102 7.903 1.00 0.00 H new ATOM 1318 N VAL B 33 8.355 -1.182 5.642 1.00 0.00 N ATOM 1319 CA VAL B 33 7.453 -0.799 4.563 1.00 0.00 C ATOM 1320 C VAL B 33 6.613 -1.993 4.135 1.00 0.00 C ATOM 1321 O VAL B 33 5.424 -1.857 3.856 1.00 0.00 O ATOM 1322 CB VAL B 33 8.200 -0.225 3.346 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.216 0.427 2.390 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.253 0.777 3.792 1.00 0.00 C ATOM 0 H VAL B 33 9.343 -1.019 5.448 1.00 0.00 H new ATOM 0 HA VAL B 33 6.808 -0.011 4.951 1.00 0.00 H new ATOM 0 HB VAL B 33 8.703 -1.041 2.827 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.755 0.830 1.532 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.494 -0.315 2.049 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.692 1.235 2.902 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.772 1.173 2.919 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.773 1.594 4.330 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.971 0.283 4.447 1.00 0.00 H new ATOM 1334 N GLY B 34 7.235 -3.167 4.111 1.00 0.00 N ATOM 1335 CA GLY B 34 6.524 -4.378 3.746 1.00 0.00 C ATOM 1336 C GLY B 34 5.491 -4.748 4.787 1.00 0.00 C ATOM 1337 O GLY B 34 4.413 -5.238 4.458 1.00 0.00 O ATOM 0 H GLY B 34 8.220 -3.301 4.338 1.00 0.00 H new ATOM 0 HA2 GLY B 34 6.036 -4.238 2.781 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.234 -5.197 3.629 1.00 0.00 H new ATOM 1341 N GLN B 35 5.827 -4.504 6.050 1.00 0.00 N ATOM 1342 CA GLN B 35 4.930 -4.800 7.159 1.00 0.00 C ATOM 1343 C GLN B 35 3.654 -3.971 7.055 1.00 0.00 C ATOM 1344 O GLN B 35 2.547 -4.499 7.161 1.00 0.00 O ATOM 1345 CB GLN B 35 5.633 -4.521 8.489 1.00 0.00 C ATOM 1346 CG GLN B 35 4.741 -4.698 9.707 1.00 0.00 C ATOM 1347 CD GLN B 35 4.178 -6.100 9.823 1.00 0.00 C ATOM 1348 OE1 GLN B 35 4.923 -7.076 9.908 1.00 0.00 O ATOM 1349 NE2 GLN B 35 2.854 -6.205 9.830 1.00 0.00 N ATOM 0 H GLN B 35 6.720 -4.099 6.331 1.00 0.00 H new ATOM 0 HA GLN B 35 4.659 -5.855 7.114 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.492 -5.185 8.581 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.018 -3.501 8.478 1.00 0.00 H new ATOM 0 HG2 GLN B 35 5.311 -4.465 10.606 1.00 0.00 H new ATOM 0 HG3 GLN B 35 3.919 -3.984 9.657 1.00 0.00 H new ATOM 0 HE21 GLN B 35 2.276 -5.368 9.757 1.00 0.00 H new ATOM 0 HE22 GLN B 35 2.416 -7.123 9.908 1.00 0.00 H new ATOM 1358 N ARG B 36 3.819 -2.669 6.841 1.00 0.00 N ATOM 1359 CA ARG B 36 2.683 -1.764 6.713 1.00 0.00 C ATOM 1360 C ARG B 36 1.937 -2.020 5.411 1.00 0.00 C ATOM 1361 O ARG B 36 0.710 -2.093 5.391 1.00 0.00 O ATOM 1362 CB ARG B 36 3.151 -0.310 6.771 1.00 0.00 C ATOM 1363 CG ARG B 36 3.814 0.060 8.087 1.00 0.00 C ATOM 1364 CD ARG B 36 4.260 1.512 8.099 1.00 0.00 C ATOM 1365 NE ARG B 36 4.880 1.886 9.367 1.00 0.00 N ATOM 1366 CZ ARG B 36 4.220 1.971 10.519 1.00 0.00 C ATOM 1367 NH1 ARG B 36 2.915 1.741 10.562 1.00 0.00 N ATOM 1368 NH2 ARG B 36 4.867 2.293 11.631 1.00 0.00 N ATOM 0 H ARG B 36 4.729 -2.217 6.753 1.00 0.00 H new ATOM 0 HA ARG B 36 2.004 -1.949 7.545 1.00 0.00 H new ATOM 0 HB2 ARG B 36 3.852 -0.129 5.956 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.296 0.346 6.607 1.00 0.00 H new ATOM 0 HG2 ARG B 36 3.118 -0.114 8.907 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.675 -0.587 8.256 1.00 0.00 H new ATOM 0 HD2 ARG B 36 4.967 1.680 7.287 1.00 0.00 H new ATOM 0 HD3 ARG B 36 3.401 2.156 7.912 1.00 0.00 H new ATOM 0 HE ARG B 36 5.878 2.094 9.370 1.00 0.00 H new ATOM 0 HH11 ARG B 36 2.412 1.497 9.709 1.00 0.00 H new ATOM 0 HH12 ARG B 36 2.414 1.808 11.448 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.870 2.475 11.603 1.00 0.00 H new ATOM 0 HH22 ARG B 36 4.361 2.358 12.514 1.00 0.00 H new ATOM 1382 N LEU B 37 2.693 -2.160 4.327 1.00 0.00 N ATOM 1383 CA LEU B 37 2.118 -2.415 3.012 1.00 0.00 C ATOM 1384 C LEU B 37 1.261 -3.672 3.057 1.00 0.00 C ATOM 1385 O LEU B 37 0.141 -3.698 2.546 1.00 0.00 O ATOM 1386 CB LEU B 37 3.234 -2.586 1.979 1.00 0.00 C ATOM 1387 CG LEU B 37 2.965 -1.975 0.603 1.00 0.00 C ATOM 1388 CD1 LEU B 37 4.111 -2.305 -0.346 1.00 0.00 C ATOM 1389 CD2 LEU B 37 1.636 -2.462 0.037 1.00 0.00 C ATOM 0 H LEU B 37 3.711 -2.101 4.334 1.00 0.00 H new ATOM 0 HA LEU B 37 1.495 -1.567 2.727 1.00 0.00 H new ATOM 0 HB2 LEU B 37 4.146 -2.144 2.380 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.426 -3.651 1.852 1.00 0.00 H new ATOM 0 HG LEU B 37 2.900 -0.892 0.712 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.912 -1.866 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU B 37 5.041 -1.898 0.051 1.00 0.00 H new ATOM 0 HD13 LEU B 37 4.201 -3.387 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.470 -2.012 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.658 -3.547 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.827 -2.176 0.709 1.00 0.00 H new ATOM 1401 N GLU B 38 1.802 -4.709 3.684 1.00 0.00 N ATOM 1402 CA GLU B 38 1.105 -5.977 3.818 1.00 0.00 C ATOM 1403 C GLU B 38 -0.091 -5.812 4.742 1.00 0.00 C ATOM 1404 O GLU B 38 -1.149 -6.397 4.516 1.00 0.00 O ATOM 1405 CB GLU B 38 2.067 -7.046 4.345 1.00 0.00 C ATOM 1406 CG GLU B 38 1.566 -8.468 4.169 1.00 0.00 C ATOM 1407 CD GLU B 38 0.664 -8.924 5.300 1.00 0.00 C ATOM 1408 OE1 GLU B 38 0.483 -8.152 6.264 1.00 0.00 O ATOM 1409 OE2 GLU B 38 0.149 -10.059 5.226 1.00 0.00 O ATOM 0 H GLU B 38 2.729 -4.693 4.110 1.00 0.00 H new ATOM 0 HA GLU B 38 0.741 -6.298 2.842 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.024 -6.943 3.833 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.250 -6.865 5.404 1.00 0.00 H new ATOM 0 HG2 GLU B 38 1.023 -8.542 3.227 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.420 -9.142 4.099 1.00 0.00 H new ATOM 1416 N SER B 39 0.080 -4.989 5.774 1.00 0.00 N ATOM 1417 CA SER B 39 -0.991 -4.719 6.722 1.00 0.00 C ATOM 1418 C SER B 39 -2.167 -4.073 6.001 1.00 0.00 C ATOM 1419 O SER B 39 -3.327 -4.339 6.317 1.00 0.00 O ATOM 1420 CB SER B 39 -0.495 -3.802 7.843 1.00 0.00 C ATOM 1421 OG SER B 39 -1.527 -3.530 8.775 1.00 0.00 O ATOM 0 H SER B 39 0.952 -4.499 5.973 1.00 0.00 H new ATOM 0 HA SER B 39 -1.315 -5.662 7.164 1.00 0.00 H new ATOM 0 HB2 SER B 39 0.346 -4.270 8.354 1.00 0.00 H new ATOM 0 HB3 SER B 39 -0.130 -2.867 7.417 1.00 0.00 H new ATOM 0 HG SER B 39 -1.184 -2.944 9.481 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.852 -3.228 5.021 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.873 -2.546 4.237 1.00 0.00 C ATOM 1429 C LEU B 40 -3.815 -3.554 3.597 1.00 0.00 C ATOM 1430 O LEU B 40 -5.032 -3.427 3.694 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.230 -1.698 3.137 1.00 0.00 C ATOM 1432 CG LEU B 40 -1.254 -0.620 3.611 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -0.605 0.061 2.416 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -1.962 0.399 4.488 1.00 0.00 C ATOM 0 H LEU B 40 -0.895 -3.001 4.753 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.435 -1.899 4.911 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.703 -2.363 2.453 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.023 -1.217 2.565 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.475 -1.096 4.207 1.00 0.00 H new ATOM 0 HD11 LEU B 40 0.088 0.827 2.765 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.062 -0.678 1.827 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.375 0.523 1.798 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.249 1.156 4.814 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.762 0.874 3.920 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.383 -0.102 5.360 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.232 -4.548 2.933 1.00 0.00 N ATOM 1447 CA LEU B 41 -4.003 -5.584 2.256 1.00 0.00 C ATOM 1448 C LEU B 41 -4.644 -6.557 3.236 1.00 0.00 C ATOM 1449 O LEU B 41 -5.793 -6.948 3.058 1.00 0.00 O ATOM 1450 CB LEU B 41 -3.120 -6.333 1.261 1.00 0.00 C ATOM 1451 CG LEU B 41 -2.972 -5.640 -0.091 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -1.846 -6.253 -0.904 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -4.284 -5.701 -0.857 1.00 0.00 C ATOM 0 H LEU B 41 -2.221 -4.657 2.850 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.812 -5.090 1.718 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.131 -6.465 1.699 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -3.534 -7.329 1.103 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.718 -4.595 0.088 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.766 -5.738 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.907 -6.153 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -2.055 -7.309 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -4.167 -5.204 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.563 -6.742 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -5.064 -5.201 -0.283 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.911 -6.950 4.270 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.455 -7.876 5.256 1.00 0.00 C ATOM 1467 C ARG B 42 -5.778 -7.340 5.786 1.00 0.00 C ATOM 1468 O ARG B 42 -6.723 -8.096 6.011 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.466 -8.097 6.403 1.00 0.00 C ATOM 1470 CG ARG B 42 -3.954 -9.093 7.445 1.00 0.00 C ATOM 1471 CD ARG B 42 -4.263 -10.450 6.827 1.00 0.00 C ATOM 1472 NE ARG B 42 -3.091 -11.045 6.189 1.00 0.00 N ATOM 1473 CZ ARG B 42 -3.106 -12.224 5.573 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -4.228 -12.931 5.511 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -1.999 -12.699 5.018 1.00 0.00 N ATOM 0 H ARG B 42 -2.953 -6.648 4.447 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.627 -8.839 4.775 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -2.519 -8.448 5.993 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.268 -7.142 6.890 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.196 -9.210 8.219 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.848 -8.702 7.931 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -4.635 -11.123 7.599 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.059 -10.339 6.090 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.212 -10.528 6.217 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -5.082 -12.571 5.936 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -4.236 -13.835 5.038 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -1.134 -12.160 5.063 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -2.013 -13.603 4.546 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.842 -6.023 5.961 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.051 -5.366 6.440 1.00 0.00 C ATOM 1491 C ARG B 43 -7.991 -5.072 5.270 1.00 0.00 C ATOM 1492 O ARG B 43 -9.208 -5.218 5.381 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.697 -4.065 7.164 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.699 -4.245 8.299 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.223 -5.190 9.368 1.00 0.00 C ATOM 1496 NE ARG B 43 -5.280 -5.343 10.473 1.00 0.00 N ATOM 1497 CZ ARG B 43 -5.495 -6.126 11.526 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -6.615 -6.833 11.612 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -4.592 -6.205 12.492 1.00 0.00 N ATOM 0 H ARG B 43 -5.065 -5.388 5.777 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.554 -6.033 7.140 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.288 -3.358 6.442 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.610 -3.622 7.562 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.761 -4.632 7.900 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.479 -3.276 8.747 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -7.172 -4.814 9.751 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -6.422 -6.165 8.924 1.00 0.00 H new ATOM 0 HE ARG B 43 -4.406 -4.819 10.435 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.312 -6.776 10.870 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.778 -7.433 12.420 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -3.729 -5.664 12.429 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -4.759 -6.806 13.299 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.404 -4.657 4.149 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.155 -4.333 2.938 1.00 0.00 C ATOM 1515 C TRP B 44 -8.996 -5.522 2.473 1.00 0.00 C ATOM 1516 O TRP B 44 -10.212 -5.417 2.315 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.180 -3.925 1.832 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.830 -3.602 0.523 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.438 -4.038 -0.709 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.970 -2.761 0.304 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.263 -3.530 -1.677 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.209 -2.744 -1.082 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.813 -2.023 1.139 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.247 -2.021 -1.649 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.845 -1.302 0.564 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -11.051 -1.307 -0.815 1.00 0.00 C ATOM 0 H TRP B 44 -6.396 -4.536 4.055 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.832 -3.508 3.161 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.613 -3.056 2.166 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.464 -4.733 1.679 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.597 -4.690 -0.894 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.184 -3.709 -2.678 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.663 -2.015 2.208 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.412 -2.024 -2.716 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.504 -0.724 1.196 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.866 -0.732 -1.230 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.328 -6.650 2.254 1.00 0.00 N ATOM 1538 CA ASN B 45 -8.989 -7.870 1.803 1.00 0.00 C ATOM 1539 C ASN B 45 -10.002 -8.366 2.830 1.00 0.00 C ATOM 1540 O ASN B 45 -11.105 -8.780 2.471 1.00 0.00 O ATOM 1541 CB ASN B 45 -7.950 -8.958 1.522 1.00 0.00 C ATOM 1542 CG ASN B 45 -7.005 -8.576 0.397 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -5.718 -8.478 0.711 1.00 0.00 O flip ATOM 1544 ND2 ASN B 45 -7.429 -8.369 -0.740 1.00 0.00 N flip ATOM 0 H ASN B 45 -7.321 -6.745 2.383 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.527 -7.640 0.884 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.374 -9.150 2.427 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.460 -9.887 1.266 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -8.426 -8.456 -0.936 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -6.783 -8.111 -1.486 1.00 0.00 H new ATOM 1551 N SER B 46 -9.628 -8.326 4.106 1.00 0.00 N ATOM 1552 CA SER B 46 -10.519 -8.773 5.173 1.00 0.00 C ATOM 1553 C SER B 46 -11.847 -8.027 5.111 1.00 0.00 C ATOM 1554 O SER B 46 -12.914 -8.630 5.229 1.00 0.00 O ATOM 1555 CB SER B 46 -9.870 -8.569 6.542 1.00 0.00 C ATOM 1556 OG SER B 46 -8.764 -9.436 6.717 1.00 0.00 O ATOM 0 H SER B 46 -8.719 -7.991 4.425 1.00 0.00 H new ATOM 0 HA SER B 46 -10.706 -9.837 5.031 1.00 0.00 H new ATOM 0 HB2 SER B 46 -9.544 -7.534 6.642 1.00 0.00 H new ATOM 0 HB3 SER B 46 -10.605 -8.749 7.327 1.00 0.00 H new ATOM 0 HG SER B 46 -8.005 -9.108 6.192 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.772 -6.716 4.916 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.968 -5.888 4.826 1.00 0.00 C ATOM 1564 C ARG B 47 -13.843 -6.342 3.663 1.00 0.00 C ATOM 1565 O ARG B 47 -15.070 -6.326 3.753 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.586 -4.416 4.664 1.00 0.00 C ATOM 1567 CG ARG B 47 -11.840 -3.851 5.863 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.406 -2.414 5.629 1.00 0.00 C ATOM 1569 NE ARG B 47 -10.692 -1.861 6.778 1.00 0.00 N ATOM 1570 CZ ARG B 47 -11.241 -1.686 7.977 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -12.515 -1.998 8.181 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -10.518 -1.194 8.973 1.00 0.00 N ATOM 0 H ARG B 47 -10.896 -6.204 4.817 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.536 -5.999 5.750 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.966 -4.305 3.774 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.490 -3.830 4.498 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.479 -3.899 6.745 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.964 -4.466 6.070 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.765 -2.368 4.748 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.282 -1.801 5.418 1.00 0.00 H new ATOM 0 HE ARG B 47 -9.716 -1.594 6.653 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -13.077 -2.373 7.417 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -12.932 -1.862 9.102 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.540 -0.949 8.821 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.940 -1.060 9.892 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.199 -6.755 2.573 1.00 0.00 N ATOM 1587 CA ARG B 48 -13.917 -7.226 1.393 1.00 0.00 C ATOM 1588 C ARG B 48 -14.846 -8.377 1.761 1.00 0.00 C ATOM 1589 O ARG B 48 -16.019 -8.385 1.390 1.00 0.00 O ATOM 1590 CB ARG B 48 -12.931 -7.683 0.316 1.00 0.00 C ATOM 1591 CG ARG B 48 -12.020 -6.578 -0.191 1.00 0.00 C ATOM 1592 CD ARG B 48 -11.017 -7.109 -1.203 1.00 0.00 C ATOM 1593 NE ARG B 48 -11.674 -7.755 -2.336 1.00 0.00 N ATOM 1594 CZ ARG B 48 -11.016 -8.325 -3.344 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -9.690 -8.324 -3.359 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -11.687 -8.895 -4.335 1.00 0.00 N ATOM 0 H ARG B 48 -12.183 -6.773 2.484 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.512 -6.401 1.002 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -12.318 -8.491 0.717 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.490 -8.094 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -12.619 -5.791 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.490 -6.128 0.648 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -10.396 -6.289 -1.563 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.352 -7.821 -0.715 1.00 0.00 H new ATOM 0 HE ARG B 48 -12.694 -7.771 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -9.172 -7.886 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -9.188 -8.761 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -12.707 -8.897 -4.325 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.183 -9.332 -5.107 1.00 0.00 H new ATOM 1610 N ALA B 49 -14.312 -9.344 2.502 1.00 0.00 N ATOM 1611 CA ALA B 49 -15.090 -10.498 2.932 1.00 0.00 C ATOM 1612 C ALA B 49 -16.246 -10.062 3.823 1.00 0.00 C ATOM 1613 O ALA B 49 -17.373 -10.534 3.671 1.00 0.00 O ATOM 1614 CB ALA B 49 -14.201 -11.493 3.663 1.00 0.00 C ATOM 0 H ALA B 49 -13.342 -9.350 2.817 1.00 0.00 H new ATOM 0 HA ALA B 49 -15.502 -10.985 2.048 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.796 -12.350 3.978 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -13.406 -11.829 2.997 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.762 -11.014 4.539 1.00 0.00 H new